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 2zle_1_D DATA FIRST_RESID 1189 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DALRQNGDGV GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF 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 1189 A HA 0.000 nan 4.320 nan 0.000 0.244 1189 A C 0.000 177.711 177.584 0.212 0.000 1.274 1189 A CA 0.000 52.190 52.037 0.255 0.000 0.836 1189 A CB 0.000 19.188 19.000 0.312 0.000 0.831 1190 E N 1.697 121.984 120.200 0.145 0.000 2.129 1190 E HA 0.356 4.684 4.350 -0.036 0.000 0.283 1190 E C 0.810 177.485 176.600 0.126 0.000 1.080 1190 E CA 0.147 56.626 56.400 0.131 0.000 0.867 1190 E CB 0.713 30.465 29.700 0.086 0.000 1.056 1190 E HN 1.069 nan 8.360 nan 0.000 0.404 1191 V N 2.863 122.870 119.914 0.156 0.000 3.621 1191 V HA 0.301 4.400 4.120 -0.036 0.000 0.285 1191 V C -0.327 175.888 176.094 0.202 0.000 1.346 1191 V CA -0.172 62.216 62.300 0.147 0.000 1.104 1191 V CB -0.521 31.385 31.823 0.139 0.000 0.913 1191 V HN 0.590 nan 8.190 nan 0.000 0.432 1192 Y N 1.116 121.439 120.300 0.039 0.000 2.436 1192 Y HA 0.682 5.209 4.550 -0.039 0.000 0.327 1192 Y C -1.312 174.605 175.900 0.028 0.000 1.138 1192 Y CA -0.971 57.144 58.100 0.024 0.000 1.042 1192 Y CB 1.762 40.229 38.460 0.012 0.000 1.302 1192 Y HN 0.151 nan 8.280 nan 0.000 0.439 1193 N N 5.593 124.007 118.700 -0.478 0.000 2.875 1193 N HA 0.257 4.975 4.740 -0.036 0.000 0.253 1193 N C -2.202 173.065 175.510 -0.406 0.000 1.296 1193 N CA -0.351 52.525 53.050 -0.291 0.000 0.816 1193 N CB 1.162 39.580 38.487 -0.116 0.000 1.504 1193 N HN 0.800 nan 8.380 nan 0.000 0.582 1194 K N 1.919 122.069 120.400 -0.417 0.000 2.557 1194 K HA 0.222 4.520 4.320 -0.036 0.000 0.257 1194 K C -1.099 175.440 176.600 -0.102 0.000 0.933 1194 K CA -0.369 55.734 56.287 -0.307 0.000 0.820 1194 K CB 0.910 33.104 32.500 -0.510 0.000 1.330 1194 K HN 0.373 nan 8.250 nan 0.000 0.432 1195 D N 2.759 123.130 120.400 -0.048 0.000 2.702 1195 D HA -0.226 4.392 4.640 -0.036 0.000 0.233 1195 D C 0.654 176.968 176.300 0.024 0.000 1.164 1195 D CA 1.694 55.696 54.000 0.002 0.000 0.638 1195 D CB -1.292 39.526 40.800 0.029 0.000 1.041 1195 D HN 1.093 nan 8.370 nan 0.000 0.422 1196 G N 0.128 108.936 108.800 0.012 0.000 2.184 1196 G HA2 -0.373 3.565 3.960 -0.036 0.000 0.264 1196 G HA3 -0.373 3.565 3.960 -0.036 0.000 0.264 1196 G C 0.110 175.046 174.900 0.061 0.000 0.975 1196 G CA 0.489 45.608 45.100 0.031 0.000 0.642 1196 G HN 0.666 nan 8.290 nan 0.000 0.536 1197 N N 0.186 118.942 118.700 0.093 0.000 2.430 1197 N HA 0.539 5.257 4.740 -0.036 0.000 0.292 1197 N C -0.596 175.016 175.510 0.171 0.000 1.051 1197 N CA -0.410 52.735 53.050 0.158 0.000 0.917 1197 N CB 0.631 39.260 38.487 0.237 0.000 1.164 1197 N HN 0.254 nan 8.380 nan 0.000 0.484 1198 K N 2.253 122.756 120.400 0.172 0.000 2.371 1198 K HA 0.478 4.777 4.320 -0.036 0.000 0.251 1198 K C -1.348 175.378 176.600 0.210 0.000 0.934 1198 K CA -0.737 55.652 56.287 0.170 0.000 0.798 1198 K CB 2.374 34.937 32.500 0.104 0.000 1.204 1198 K HN 0.287 nan 8.250 nan 0.000 0.427 1199 L N 2.027 123.394 121.223 0.240 0.000 2.376 1199 L HA 0.366 4.684 4.340 -0.036 0.000 0.275 1199 L C -1.619 175.378 176.870 0.213 0.000 0.987 1199 L CA -0.250 54.712 54.840 0.204 0.000 0.828 1199 L CB 1.740 43.882 42.059 0.138 0.000 1.249 1199 L HN 0.685 nan 8.230 nan 0.000 0.409 1200 D N 3.956 124.502 120.400 0.243 0.000 2.349 1200 D HA 0.429 5.047 4.640 -0.036 0.000 0.232 1200 D C -1.343 175.183 176.300 0.376 0.000 1.071 1200 D CA -0.365 53.796 54.000 0.268 0.000 0.832 1200 D CB 1.248 42.179 40.800 0.219 0.000 1.086 1200 D HN 0.469 nan 8.370 nan 0.000 0.504 1201 L N 6.174 127.612 121.223 0.357 0.000 2.280 1201 L HA 0.489 4.807 4.340 -0.036 0.000 0.287 1201 L C -1.542 175.606 176.870 0.464 0.000 1.023 1201 L CA -0.509 54.562 54.840 0.385 0.000 0.819 1201 L CB 0.319 42.573 42.059 0.326 0.000 1.212 1201 L HN 0.476 nan 8.230 nan 0.000 0.420 1202 Y N 3.066 123.445 120.300 0.131 0.000 2.634 1202 Y HA 1.030 5.556 4.550 -0.040 0.000 0.340 1202 Y C -0.076 175.438 175.900 -0.643 0.000 1.058 1202 Y CA -0.730 57.184 58.100 -0.311 0.000 1.081 1202 Y CB 1.512 39.857 38.460 -0.192 0.000 1.295 1202 Y HN 0.795 nan 8.280 nan 0.000 0.487 1203 G N 0.799 108.997 108.800 -1.003 0.000 2.313 1203 G HA2 0.505 4.443 3.960 -0.036 0.000 0.296 1203 G HA3 0.505 4.443 3.960 -0.036 0.000 0.296 1203 G C -2.292 172.263 174.900 -0.576 0.000 1.356 1203 G CA -0.892 43.768 45.100 -0.734 0.000 0.833 1203 G HN 1.096 nan 8.290 nan 0.000 0.552 1204 K N -1.773 118.491 120.400 -0.227 0.000 2.568 1204 K HA 0.745 5.043 4.320 -0.036 0.000 0.273 1204 K C -1.674 174.904 176.600 -0.036 0.000 0.951 1204 K CA -1.036 55.194 56.287 -0.095 0.000 0.854 1204 K CB 2.221 34.662 32.500 -0.098 0.000 1.424 1204 K HN 0.625 nan 8.250 nan 0.000 0.427 1205 V N 1.478 121.406 119.914 0.023 0.000 2.409 1205 V HA 0.296 4.394 4.120 -0.036 0.000 0.291 1205 V C -1.169 174.847 176.094 -0.130 0.000 1.020 1205 V CA -0.494 61.776 62.300 -0.050 0.000 0.848 1205 V CB 1.414 33.270 31.823 0.054 0.000 0.990 1205 V HN 0.857 nan 8.190 nan 0.000 0.430 1206 D N 4.175 124.361 120.400 -0.356 0.000 2.460 1206 D HA 0.364 4.982 4.640 -0.036 0.000 0.232 1206 D C 0.489 176.652 176.300 -0.229 0.000 1.079 1206 D CA -0.171 53.626 54.000 -0.337 0.000 0.864 1206 D CB 1.590 42.005 40.800 -0.643 0.000 1.048 1206 D HN 0.673 nan 8.370 nan 0.000 0.523 1207 G N 3.218 111.952 108.800 -0.110 0.000 2.396 1207 G HA2 0.417 4.355 3.960 -0.036 0.000 0.292 1207 G HA3 0.417 4.355 3.960 -0.036 0.000 0.292 1207 G C -0.593 174.280 174.900 -0.045 0.000 1.106 1207 G CA -0.132 44.932 45.100 -0.060 0.000 1.055 1207 G HN 0.428 nan 8.290 nan 0.000 0.424 1208 L N 2.349 123.571 121.223 -0.000 0.000 2.431 1208 L HA 0.715 5.033 4.340 -0.036 0.000 0.266 1208 L C -1.109 175.817 176.870 0.093 0.000 0.978 1208 L CA -1.112 53.760 54.840 0.053 0.000 0.822 1208 L CB 2.408 44.538 42.059 0.118 0.000 1.310 1208 L HN 0.622 nan 8.230 nan 0.000 0.409 1209 H N 2.805 121.900 119.070 0.041 0.000 2.771 1209 H HA 0.612 5.146 4.556 -0.036 0.000 0.361 1209 H C -1.666 173.722 175.328 0.100 0.000 1.108 1209 H CA -0.348 55.672 56.048 -0.047 0.000 1.201 1209 H CB 1.236 30.892 29.762 -0.176 0.000 1.681 1209 H HN 0.482 nan 8.280 nan 0.000 0.534 1210 Y N 3.954 123.951 120.300 -0.505 0.000 2.342 1210 Y HA 0.324 4.851 4.550 -0.037 0.000 0.334 1210 Y C -0.782 174.870 175.900 -0.414 0.000 1.067 1210 Y CA -1.102 56.861 58.100 -0.229 0.000 1.128 1210 Y CB 0.666 39.063 38.460 -0.105 0.000 1.200 1210 Y HN 0.502 nan 8.280 nan 0.000 0.464 1211 F N 1.481 121.589 119.950 0.265 0.000 2.449 1211 F HA 0.563 5.068 4.527 -0.037 0.000 0.342 1211 F C 0.193 176.077 175.800 0.140 0.000 1.127 1211 F CA -0.478 57.644 58.000 0.203 0.000 0.975 1211 F CB 1.943 41.051 39.000 0.179 0.000 1.146 1211 F HN 0.300 nan 8.300 nan 0.000 0.444 1212 S N 1.609 117.460 115.700 0.252 0.000 2.542 1212 S HA 0.238 4.686 4.470 -0.036 0.000 0.276 1212 S C -0.025 174.647 174.600 0.121 0.000 1.148 1212 S CA -0.745 57.552 58.200 0.161 0.000 0.886 1212 S CB 1.171 64.441 63.200 0.116 0.000 1.109 1212 S HN 0.582 nan 8.310 nan 0.000 0.458 1213 D N 1.796 122.252 120.400 0.093 0.000 2.263 1213 D HA -0.043 4.575 4.640 -0.036 0.000 0.208 1213 D C 0.536 176.864 176.300 0.047 0.000 0.971 1213 D CA 1.010 55.050 54.000 0.067 0.000 0.867 1213 D CB -0.175 40.657 40.800 0.053 0.000 0.929 1213 D HN 0.477 nan 8.370 nan 0.000 0.492 1214 N N 1.437 120.161 118.700 0.041 0.000 2.402 1214 N HA -0.035 4.683 4.740 -0.036 0.000 0.252 1214 N C 0.711 176.240 175.510 0.031 0.000 1.118 1214 N CA -0.079 52.986 53.050 0.025 0.000 0.945 1214 N CB 0.570 39.062 38.487 0.009 0.000 1.147 1214 N HN -0.239 nan 8.380 nan 0.000 0.495 1215 K N 1.926 122.339 120.400 0.022 0.000 2.439 1215 K HA -0.022 4.276 4.320 -0.036 0.000 0.197 1215 K C 0.248 176.849 176.600 0.002 0.000 1.041 1215 K CA 0.536 56.833 56.287 0.016 0.000 0.970 1215 K CB 0.309 32.818 32.500 0.014 0.000 0.773 1215 K HN 0.559 nan 8.250 nan 0.000 0.479 1216 D N 0.375 120.774 120.400 -0.000 0.000 2.269 1216 D HA -0.094 4.524 4.640 -0.036 0.000 0.208 1216 D C 1.726 178.021 176.300 -0.007 0.000 0.963 1216 D CA 0.858 54.851 54.000 -0.012 0.000 0.864 1216 D CB 0.281 41.070 40.800 -0.018 0.000 0.936 1216 D HN 0.165 nan 8.370 nan 0.000 0.505 1217 V N -1.829 118.102 119.914 0.028 0.000 3.621 1217 V HA 0.136 4.234 4.120 -0.036 0.000 0.263 1217 V C 0.486 176.632 176.094 0.088 0.000 1.272 1217 V CA -0.338 62.014 62.300 0.086 0.000 1.080 1217 V CB 0.031 31.980 31.823 0.209 0.000 0.816 1217 V HN -0.238 nan 8.190 nan 0.000 0.451 1218 D N 0.977 121.402 120.400 0.041 0.000 2.399 1218 D HA 0.482 5.100 4.640 -0.036 0.000 0.241 1218 D C 0.623 176.829 176.300 -0.156 0.000 1.133 1218 D CA 2.247 56.241 54.000 -0.010 0.000 0.890 1218 D CB 0.914 41.726 40.800 0.019 0.000 1.201 1218 D HN 0.821 nan 8.370 nan 0.000 0.432 1219 G N 2.739 111.309 108.800 -0.383 0.000 2.396 1219 G HA2 -0.097 3.841 3.960 -0.036 0.000 0.254 1219 G HA3 -0.097 3.841 3.960 -0.036 0.000 0.254 1219 G C -0.834 173.566 174.900 -0.833 0.000 1.248 1219 G CA -0.348 44.416 45.100 -0.561 0.000 1.033 1219 G HN 0.733 nan 8.290 nan 0.000 0.502 1220 D N 0.461 120.609 120.400 -0.420 0.000 2.450 1220 D HA 0.418 5.036 4.640 -0.036 0.000 0.247 1220 D C 1.070 177.220 176.300 -0.251 0.000 1.162 1220 D CA 0.474 54.339 54.000 -0.225 0.000 0.879 1220 D CB 0.663 41.434 40.800 -0.048 0.000 1.163 1220 D HN 0.357 nan 8.370 nan 0.000 0.472 1221 Q N 2.289 121.948 119.800 -0.236 0.000 2.135 1221 Q HA 0.099 4.418 4.340 -0.036 0.000 0.222 1221 Q C -0.197 175.800 176.000 -0.005 0.000 0.808 1221 Q CA -0.171 55.490 55.803 -0.236 0.000 1.049 1221 Q CB 0.560 28.959 28.738 -0.565 0.000 1.168 1221 Q HN 0.465 nan 8.270 nan 0.000 0.483 1222 T N 2.622 117.180 114.554 0.007 0.000 2.933 1222 T HA 0.097 4.425 4.350 -0.036 0.000 0.306 1222 T C -0.187 174.579 174.700 0.111 0.000 1.045 1222 T CA 0.773 62.891 62.100 0.030 0.000 1.143 1222 T CB -0.147 68.717 68.868 -0.006 0.000 1.003 1222 T HN 0.246 nan 8.240 nan 0.000 0.540 1223 Y N 0.645 120.917 120.300 -0.046 0.000 2.638 1223 Y HA 0.691 5.218 4.550 -0.038 0.000 0.335 1223 Y C -1.101 174.763 175.900 -0.060 0.000 1.155 1223 Y CA -1.986 56.069 58.100 -0.076 0.000 1.046 1223 Y CB 1.200 39.599 38.460 -0.101 0.000 1.303 1223 Y HN 0.616 nan 8.280 nan 0.000 0.460 1224 M N 1.064 120.677 119.600 0.023 0.000 2.591 1224 M HA 0.760 5.218 4.480 -0.036 0.000 0.306 1224 M C -1.731 174.583 176.300 0.023 0.000 1.190 1224 M CA -0.835 54.437 55.300 -0.046 0.000 0.889 1224 M CB 2.802 35.389 32.600 -0.022 0.000 1.728 1224 M HN 0.676 nan 8.290 nan 0.000 0.458 1225 R N 1.225 121.712 120.500 -0.021 0.000 2.686 1225 R HA 0.878 5.196 4.340 -0.036 0.000 0.286 1225 R C -1.863 174.342 176.300 -0.159 0.000 0.969 1225 R CA -0.990 55.055 56.100 -0.092 0.000 0.898 1225 R CB 2.392 32.673 30.300 -0.033 0.000 1.183 1225 R HN 0.819 nan 8.270 nan 0.000 0.456 1226 L N 0.287 121.366 121.223 -0.239 0.000 2.371 1226 L HA 0.852 5.170 4.340 -0.036 0.000 0.262 1226 L C -0.804 175.724 176.870 -0.570 0.000 1.006 1226 L CA -0.119 54.547 54.840 -0.290 0.000 0.818 1226 L CB 2.498 44.535 42.059 -0.037 0.000 1.354 1226 L HN 0.767 nan 8.230 nan 0.000 0.415 1227 G N 1.841 110.173 108.800 -0.780 0.000 2.623 1227 G HA2 0.596 4.534 3.960 -0.036 0.000 0.290 1227 G HA3 0.596 4.534 3.960 -0.036 0.000 0.290 1227 G C -2.008 172.631 174.900 -0.435 0.000 1.437 1227 G CA -0.405 44.171 45.100 -0.873 0.000 0.798 1227 G HN 0.795 nan 8.290 nan 0.000 0.488 1228 F N -0.938 119.025 119.950 0.022 0.000 2.588 1228 F HA 0.864 5.371 4.527 -0.034 0.000 0.310 1228 F C -0.779 175.208 175.800 0.312 0.000 1.082 1228 F CA -1.328 56.804 58.000 0.220 0.000 0.929 1228 F CB 2.195 41.307 39.000 0.187 0.000 1.254 1228 F HN 0.321 nan 8.300 nan 0.000 0.455 1229 K N 2.417 123.141 120.400 0.539 0.000 2.413 1229 K HA 0.666 4.964 4.320 -0.036 0.000 0.257 1229 K C -0.524 176.298 176.600 0.369 0.000 0.946 1229 K CA -0.966 55.534 56.287 0.354 0.000 0.823 1229 K CB 2.242 34.859 32.500 0.194 0.000 1.109 1229 K HN 1.005 nan 8.250 nan 0.000 0.427 1230 G N 2.222 111.247 108.800 0.374 0.000 2.448 1230 G HA2 0.523 4.461 3.960 -0.036 0.000 0.324 1230 G HA3 0.523 4.461 3.960 -0.036 0.000 0.324 1230 G C -1.067 173.977 174.900 0.239 0.000 1.203 1230 G CA -0.404 44.857 45.100 0.268 0.000 0.954 1230 G HN 0.535 nan 8.290 nan 0.000 0.480 1231 E N -0.276 120.039 120.200 0.193 0.000 2.331 1231 E HA 0.519 4.847 4.350 -0.036 0.000 0.275 1231 E C -1.343 175.347 176.600 0.148 0.000 0.895 1231 E CA -0.742 55.771 56.400 0.190 0.000 0.753 1231 E CB 2.732 32.524 29.700 0.152 0.000 1.216 1231 E HN 0.400 nan 8.360 nan 0.000 0.434 1232 T N 1.290 115.929 114.554 0.141 0.000 2.881 1232 T HA 0.147 4.475 4.350 -0.036 0.000 0.290 1232 T C -1.176 173.581 174.700 0.095 0.000 1.000 1232 T CA -0.601 61.563 62.100 0.108 0.000 0.978 1232 T CB 1.374 70.298 68.868 0.093 0.000 0.997 1232 T HN 0.431 nan 8.240 nan 0.000 0.443 1233 Q N 4.507 124.351 119.800 0.072 0.000 2.307 1233 Q HA 0.316 4.634 4.340 -0.036 0.000 0.261 1233 Q C 0.342 176.374 176.000 0.052 0.000 1.051 1233 Q CA -0.376 55.459 55.803 0.054 0.000 0.911 1233 Q CB 0.843 29.602 28.738 0.035 0.000 1.227 1233 Q HN 0.668 nan 8.270 nan 0.000 0.418 1234 V N 3.071 123.020 119.914 0.057 0.000 2.374 1234 V HA -0.003 4.095 4.120 -0.036 0.000 0.241 1234 V C 1.028 177.151 176.094 0.049 0.000 1.034 1234 V CA 1.786 64.121 62.300 0.059 0.000 1.037 1234 V CB 0.335 32.205 31.823 0.079 0.000 0.682 1234 V HN 0.970 nan 8.190 nan 0.000 0.463 1235 T N -2.653 111.924 114.554 0.038 0.000 2.716 1235 T HA 0.259 4.587 4.350 -0.036 0.000 0.286 1235 T C 0.557 175.246 174.700 -0.018 0.000 1.052 1235 T CA 0.134 62.248 62.100 0.022 0.000 1.024 1235 T CB 1.433 70.328 68.868 0.044 0.000 1.349 1235 T HN 0.268 nan 8.240 nan 0.000 0.525 1236 D N 0.114 120.498 120.400 -0.028 0.000 2.221 1236 D HA -0.167 4.451 4.640 -0.036 0.000 0.204 1236 D C 1.512 177.731 176.300 -0.136 0.000 0.982 1236 D CA 1.394 55.360 54.000 -0.057 0.000 0.857 1236 D CB -0.304 40.474 40.800 -0.036 0.000 0.934 1236 D HN 0.674 nan 8.370 nan 0.000 0.475 1237 Q N -0.858 118.803 119.800 -0.232 0.000 2.349 1237 Q HA 0.263 4.581 4.340 -0.036 0.000 0.209 1237 Q C 0.172 175.795 176.000 -0.629 0.000 0.920 1237 Q CA -0.108 55.343 55.803 -0.586 0.000 0.901 1237 Q CB 0.583 28.704 28.738 -1.028 0.000 1.021 1237 Q HN 0.189 nan 8.270 nan 0.000 0.519 1238 L N 0.888 121.957 121.223 -0.257 0.000 2.296 1238 L HA 0.468 4.786 4.340 -0.036 0.000 0.286 1238 L C -1.067 175.828 176.870 0.041 0.000 1.023 1238 L CA 0.144 54.973 54.840 -0.018 0.000 0.812 1238 L CB 1.824 43.993 42.059 0.183 0.000 1.223 1238 L HN -0.134 nan 8.230 nan 0.000 0.421 1239 T N 3.743 118.354 114.554 0.095 0.000 2.841 1239 T HA 0.746 5.074 4.350 -0.036 0.000 0.283 1239 T C -0.090 174.736 174.700 0.210 0.000 1.000 1239 T CA -0.455 61.727 62.100 0.137 0.000 0.977 1239 T CB 1.597 70.544 68.868 0.132 0.000 0.979 1239 T HN 0.810 nan 8.240 nan 0.000 0.446 1240 G N 1.586 110.492 108.800 0.177 0.000 2.389 1240 G HA2 0.709 4.647 3.960 -0.036 0.000 0.328 1240 G HA3 0.709 4.647 3.960 -0.036 0.000 0.328 1240 G C -1.455 173.581 174.900 0.226 0.000 1.133 1240 G CA -0.710 44.470 45.100 0.133 0.000 0.891 1240 G HN 0.728 nan 8.290 nan 0.000 0.485 1241 Y N -1.247 119.125 120.300 0.120 0.000 2.625 1241 Y HA 0.831 5.226 4.550 -0.259 0.000 0.338 1241 Y C -0.060 175.913 175.900 0.121 0.000 1.123 1241 Y CA -1.435 56.738 58.100 0.122 0.000 1.046 1241 Y CB 1.390 39.928 38.460 0.130 0.000 1.299 1241 Y HN 0.919 nan 8.280 nan 0.000 0.464 1242 G N 0.661 109.635 108.800 0.289 0.000 2.733 1242 G HA2 0.530 4.468 3.960 -0.036 0.000 0.297 1242 G HA3 0.530 4.468 3.960 -0.036 0.000 0.297 1242 G C -2.498 172.429 174.900 0.046 0.000 1.422 1242 G CA -0.959 44.221 45.100 0.133 0.000 0.942 1242 G HN 0.842 nan 8.290 nan 0.000 0.510 1243 Q N -0.192 119.367 119.800 -0.402 0.000 2.345 1243 Q HA 0.602 4.920 4.340 -0.036 0.000 0.275 1243 Q C -2.217 173.408 176.000 -0.626 0.000 1.063 1243 Q CA -0.988 54.487 55.803 -0.547 0.000 0.819 1243 Q CB 2.946 31.298 28.738 -0.644 0.000 1.356 1243 Q HN 0.642 nan 8.270 nan 0.000 0.418 1244 W N 2.963 123.702 121.300 -0.935 0.000 3.129 1244 W HA 0.534 5.166 4.660 -0.047 0.000 0.333 1244 W C -1.842 174.398 176.519 -0.465 0.000 1.141 1244 W CA -0.250 56.652 57.345 -0.739 0.000 1.224 1244 W CB 1.626 30.460 29.460 -1.044 0.000 1.393 1244 W HN 0.693 nan 8.180 nan 0.000 0.499 1245 E N 4.321 123.981 120.200 -0.900 0.000 2.331 1245 E HA 0.402 4.730 4.350 -0.036 0.000 0.275 1245 E C -2.305 173.753 176.600 -0.902 0.000 0.895 1245 E CA -0.861 55.042 56.400 -0.828 0.000 0.753 1245 E CB 2.262 31.791 29.700 -0.285 0.000 1.216 1245 E HN 0.429 nan 8.360 nan 0.000 0.434 1246 Y N 1.989 121.674 120.300 -1.024 0.000 2.492 1246 Y HA 0.307 4.833 4.550 -0.040 0.000 0.346 1246 Y C -1.353 174.203 175.900 -0.573 0.000 0.997 1246 Y CA -0.581 57.037 58.100 -0.804 0.000 1.025 1246 Y CB 2.094 40.002 38.460 -0.921 0.000 1.263 1246 Y HN 0.544 nan 8.280 nan 0.000 0.454 1247 Q N 5.482 124.669 119.800 -1.021 0.000 2.333 1247 Q HA 0.707 5.025 4.340 -0.036 0.000 0.267 1247 Q C -1.828 173.512 176.000 -1.100 0.000 1.012 1247 Q CA -0.643 54.582 55.803 -0.963 0.000 0.824 1247 Q CB 1.315 29.359 28.738 -1.158 0.000 1.290 1247 Q HN 0.753 nan 8.270 nan 0.000 0.449 1248 I N 3.746 123.969 120.570 -0.580 0.000 2.410 1248 I HA 0.231 4.379 4.170 -0.036 0.000 0.286 1248 I C -0.359 175.616 176.117 -0.237 0.000 1.009 1248 I CA -1.027 60.040 61.300 -0.389 0.000 1.111 1248 I CB 1.798 39.720 38.000 -0.131 0.000 1.262 1248 I HN 0.506 nan 8.210 nan 0.000 0.443 1249 Q N 3.883 123.548 119.800 -0.225 0.000 2.364 1249 Q HA 0.173 4.491 4.340 -0.036 0.000 0.267 1249 Q C 0.906 176.893 176.000 -0.022 0.000 0.999 1249 Q CA 0.130 55.889 55.803 -0.074 0.000 0.886 1249 Q CB 1.364 30.084 28.738 -0.029 0.000 1.243 1249 Q HN 0.924 nan 8.270 nan 0.000 0.415 1250 G N 1.680 110.488 108.800 0.014 0.000 3.453 1250 G HA2 -0.060 3.878 3.960 -0.036 0.000 0.263 1250 G HA3 -0.060 3.878 3.960 -0.036 0.000 0.263 1250 G C 0.480 175.381 174.900 0.001 0.000 1.060 1250 G CA -0.218 44.884 45.100 0.005 0.000 0.793 1250 G HN 0.601 nan 8.290 nan 0.000 0.532 1251 N N 0.376 119.075 118.700 -0.001 0.000 2.204 1251 N HA 0.059 4.777 4.740 -0.036 0.000 0.219 1251 N C 0.532 176.034 175.510 -0.014 0.000 1.151 1251 N CA 0.021 53.062 53.050 -0.014 0.000 0.867 1251 N CB 0.227 38.692 38.487 -0.037 0.000 1.043 1251 N HN 0.154 nan 8.380 nan 0.000 0.516 1252 S N -0.724 114.972 115.700 -0.005 0.000 2.681 1252 S HA 0.836 5.284 4.470 -0.036 0.000 0.299 1252 S C 0.257 174.858 174.600 0.001 0.000 1.113 1252 S CA -0.682 57.517 58.200 -0.002 0.000 1.013 1252 S CB 1.794 64.997 63.200 0.004 0.000 1.076 1252 S HN 0.365 nan 8.310 nan 0.000 0.534 1253 A N 0.713 123.534 122.820 0.002 0.000 2.327 1253 A HA 0.342 4.640 4.320 -0.036 0.000 0.255 1253 A C 0.890 178.478 177.584 0.007 0.000 1.099 1253 A CA -0.379 51.660 52.037 0.003 0.000 0.801 1253 A CB -0.369 18.633 19.000 0.003 0.000 1.062 1253 A HN 0.979 nan 8.150 nan 0.000 0.496 1254 E N 0.229 120.433 120.200 0.007 0.000 2.478 1254 E HA -0.127 4.201 4.350 -0.036 0.000 0.198 1254 E C 0.588 177.195 176.600 0.011 0.000 1.046 1254 E CA 0.721 57.126 56.400 0.009 0.000 0.870 1254 E CB -0.053 29.652 29.700 0.008 0.000 0.818 1254 E HN 0.733 nan 8.360 nan 0.000 0.527 1255 N N 1.223 119.930 118.700 0.010 0.000 2.370 1255 N HA -0.079 4.639 4.740 -0.036 0.000 0.198 1255 N C -0.099 175.420 175.510 0.015 0.000 1.156 1255 N CA 0.262 53.319 53.050 0.012 0.000 0.839 1255 N CB 0.020 38.512 38.487 0.009 0.000 0.989 1255 N HN 0.302 nan 8.380 nan 0.000 0.468 1256 E N -1.087 119.123 120.200 0.017 0.000 2.433 1256 E HA 0.437 4.765 4.350 -0.036 0.000 0.278 1256 E C -1.793 174.822 176.600 0.026 0.000 0.976 1256 E CA -1.079 55.334 56.400 0.022 0.000 0.793 1256 E CB 1.045 30.757 29.700 0.019 0.000 1.311 1256 E HN -0.034 nan 8.360 nan 0.000 0.460 1257 N N 0.992 119.713 118.700 0.035 0.000 2.480 1257 N HA 0.297 5.015 4.740 -0.036 0.000 0.289 1257 N C -1.886 173.655 175.510 0.052 0.000 1.073 1257 N CA -0.553 52.521 53.050 0.041 0.000 0.885 1257 N CB 1.292 39.810 38.487 0.053 0.000 1.421 1257 N HN 0.470 nan 8.380 nan 0.000 0.503 1258 N N 1.806 120.533 118.700 0.045 0.000 2.564 1258 N HA 0.376 5.094 4.740 -0.036 0.000 0.248 1258 N C -1.386 174.136 175.510 0.020 0.000 0.986 1258 N CA -0.328 52.778 53.050 0.094 0.000 0.921 1258 N CB 1.343 39.902 38.487 0.119 0.000 1.136 1258 N HN 0.664 nan 8.380 nan 0.000 0.509 1259 S N 0.540 116.259 115.700 0.032 0.000 2.579 1259 S HA 0.836 5.284 4.470 -0.036 0.000 0.272 1259 S C -1.449 173.077 174.600 -0.122 0.000 1.141 1259 S CA -0.994 57.009 58.200 -0.329 0.000 0.843 1259 S CB 1.756 64.774 63.200 -0.304 0.000 1.122 1259 S HN 0.579 nan 8.310 nan 0.000 0.468 1260 W N -0.929 120.010 121.300 -0.603 0.000 3.066 1260 W HA 0.689 5.324 4.660 -0.042 0.000 0.330 1260 W C -1.604 174.636 176.519 -0.466 0.000 1.253 1260 W CA -0.916 56.198 57.345 -0.385 0.000 1.187 1260 W CB 0.461 29.790 29.460 -0.219 0.000 1.434 1260 W HN 0.547 nan 8.180 nan 0.000 0.572 1261 T N 2.607 117.286 114.554 0.209 0.000 2.743 1261 T HA 0.267 4.595 4.350 -0.036 0.000 0.293 1261 T C 0.970 175.750 174.700 0.133 0.000 0.945 1261 T CA -0.398 61.822 62.100 0.202 0.000 1.030 1261 T CB 1.092 70.154 68.868 0.323 0.000 0.912 1261 T HN 0.473 nan 8.240 nan 0.000 0.483 1262 R N 1.982 122.475 120.500 -0.011 0.000 2.052 1262 R HA 0.180 4.498 4.340 -0.036 0.000 0.226 1262 R C 0.899 177.161 176.300 -0.063 0.000 1.145 1262 R CA 0.657 56.752 56.100 -0.007 0.000 0.952 1262 R CB 0.085 30.362 30.300 -0.039 0.000 0.847 1262 R HN 0.583 nan 8.270 nan 0.000 0.431 1263 V N -3.666 116.210 119.914 -0.064 0.000 3.007 1263 V HA 0.891 4.989 4.120 -0.036 0.000 0.311 1263 V C -1.513 174.605 176.094 0.039 0.000 1.120 1263 V CA -1.140 61.188 62.300 0.047 0.000 0.980 1263 V CB 2.046 34.002 31.823 0.223 0.000 1.033 1263 V HN 0.134 nan 8.190 nan 0.000 0.429 1264 A N 4.041 126.956 122.820 0.158 0.000 2.579 1264 A HA 0.850 5.148 4.320 -0.036 0.000 0.288 1264 A C -1.111 176.576 177.584 0.172 0.000 1.079 1264 A CA -0.311 51.808 52.037 0.136 0.000 0.889 1264 A CB 0.542 19.699 19.000 0.262 0.000 1.439 1264 A HN 2.172 nan 8.150 nan 0.000 0.399 1265 F N 0.002 119.990 119.950 0.063 0.000 2.645 1265 F HA 0.937 5.521 4.527 0.095 0.000 0.310 1265 F C -0.249 175.578 175.800 0.047 0.000 1.102 1265 F CA -0.845 57.171 58.000 0.027 0.000 0.952 1265 F CB 1.329 40.326 39.000 -0.005 0.000 1.326 1265 F HN 0.831 nan 8.300 nan 0.000 0.456 1266 A N 0.885 123.831 122.820 0.211 0.000 2.374 1266 A HA 1.011 5.309 4.320 -0.036 0.000 0.317 1266 A C -0.474 177.040 177.584 -0.117 0.000 1.094 1266 A CA -0.405 51.653 52.037 0.035 0.000 0.765 1266 A CB 1.343 20.365 19.000 0.037 0.000 1.268 1266 A HN 1.831 nan 8.150 nan 0.000 0.438 1267 G N -0.455 108.012 108.800 -0.556 0.000 2.649 1267 G HA2 0.597 4.535 3.960 -0.036 0.000 0.290 1267 G HA3 0.597 4.535 3.960 -0.036 0.000 0.290 1267 G C -1.797 172.648 174.900 -0.759 0.000 1.426 1267 G CA -0.617 43.999 45.100 -0.807 0.000 0.794 1267 G HN 0.754 nan 8.290 nan 0.000 0.483 1268 L N 0.251 121.351 121.223 -0.205 0.000 2.381 1268 L HA 0.652 4.970 4.340 -0.036 0.000 0.268 1268 L C -0.235 176.840 176.870 0.341 0.000 0.997 1268 L CA -0.859 54.042 54.840 0.102 0.000 0.818 1268 L CB 2.607 44.765 42.059 0.165 0.000 1.310 1268 L HN 0.374 nan 8.230 nan 0.000 0.416 1269 K N 2.415 123.045 120.400 0.383 0.000 2.345 1269 K HA 0.490 4.788 4.320 -0.036 0.000 0.255 1269 K C -1.920 174.837 176.600 0.262 0.000 0.934 1269 K CA -0.536 55.945 56.287 0.323 0.000 0.801 1269 K CB 1.958 34.621 32.500 0.272 0.000 1.137 1269 K HN 0.414 nan 8.250 nan 0.000 0.424 1270 F N 3.497 123.516 119.950 0.115 0.000 2.449 1270 F HA 0.209 4.706 4.527 -0.050 0.000 0.342 1270 F C 0.252 176.090 175.800 0.063 0.000 1.127 1270 F CA -0.540 57.512 58.000 0.088 0.000 0.975 1270 F CB 1.585 40.638 39.000 0.088 0.000 1.146 1270 F HN 0.506 nan 8.300 nan 0.000 0.444 1271 Q N 5.205 124.818 119.800 -0.312 0.000 2.320 1271 Q HA -0.038 4.280 4.340 -0.036 0.000 0.311 1271 Q C -0.237 175.804 176.000 0.068 0.000 1.083 1271 Q CA 0.935 56.649 55.803 -0.147 0.000 1.001 1271 Q CB 0.209 28.791 28.738 -0.260 0.000 1.074 1271 Q HN 0.806 nan 8.270 nan 0.000 0.379 1272 D N 1.951 122.402 120.400 0.085 0.000 2.945 1272 D HA -0.183 4.435 4.640 -0.036 0.000 0.225 1272 D C -0.154 176.263 176.300 0.194 0.000 1.158 1272 D CA 0.968 55.045 54.000 0.128 0.000 0.805 1272 D CB -1.268 39.621 40.800 0.148 0.000 1.098 1272 D HN 0.358 nan 8.370 nan 0.000 0.426 1273 V N -1.962 118.061 119.914 0.182 0.000 3.442 1273 V HA 0.678 4.777 4.120 -0.036 0.000 0.205 1273 V C 1.296 177.353 176.094 -0.061 0.000 1.320 1273 V CA 0.956 63.337 62.300 0.135 0.000 1.306 1273 V CB 1.071 33.063 31.823 0.281 0.000 1.267 1273 V HN 0.479 nan 8.190 nan 0.000 0.538 1274 G N 0.165 109.004 108.800 0.065 0.000 2.323 1274 G HA2 0.490 4.428 3.960 -0.036 0.000 0.291 1274 G HA3 0.490 4.428 3.960 -0.036 0.000 0.291 1274 G C -1.235 173.745 174.900 0.133 0.000 1.278 1274 G CA 0.330 45.441 45.100 0.019 0.000 0.860 1274 G HN 0.893 nan 8.290 nan 0.000 0.504 1275 S N -1.401 114.383 115.700 0.140 0.000 2.595 1275 S HA 0.858 5.306 4.470 -0.036 0.000 0.281 1275 S C -1.507 173.245 174.600 0.253 0.000 1.117 1275 S CA -0.711 57.624 58.200 0.224 0.000 0.873 1275 S CB 2.432 65.757 63.200 0.208 0.000 1.108 1275 S HN 1.849 nan 8.310 nan 0.000 0.477 1276 F N 1.539 121.535 119.950 0.076 0.000 2.569 1276 F HA 0.706 5.281 4.527 0.080 0.000 0.312 1276 F C -1.874 173.905 175.800 -0.034 0.000 1.109 1276 F CA -0.499 57.442 58.000 -0.100 0.000 0.919 1276 F CB 1.717 40.591 39.000 -0.209 0.000 1.211 1276 F HN 0.940 nan 8.300 nan 0.000 0.446 1277 D N 3.232 123.032 120.400 -1.000 0.000 2.596 1277 D HA 0.403 5.021 4.640 -0.036 0.000 0.234 1277 D C -2.069 173.718 176.300 -0.855 0.000 1.181 1277 D CA -0.577 52.968 54.000 -0.758 0.000 0.856 1277 D CB 1.996 42.684 40.800 -0.187 0.000 1.498 1277 D HN 0.496 nan 8.370 nan 0.000 0.446 1278 Y N 0.170 120.177 120.300 -0.488 0.000 2.492 1278 Y HA 0.686 5.206 4.550 -0.050 0.000 0.346 1278 Y C 0.109 176.028 175.900 0.031 0.000 0.997 1278 Y CA 0.365 58.339 58.100 -0.211 0.000 1.025 1278 Y CB 1.946 40.354 38.460 -0.086 0.000 1.263 1278 Y HN 0.982 nan 8.280 nan 0.000 0.454 1279 G N 4.089 112.387 108.800 -0.836 0.000 2.332 1279 G HA2 0.052 3.991 3.960 -0.036 0.000 0.265 1279 G HA3 0.052 3.991 3.960 -0.036 0.000 0.265 1279 G C -1.752 172.978 174.900 -0.282 0.000 1.329 1279 G CA -1.217 43.615 45.100 -0.447 0.000 0.949 1279 G HN 0.744 nan 8.290 nan 0.000 0.476 1280 R N 0.846 121.315 120.500 -0.053 0.000 2.267 1280 R HA 0.552 4.870 4.340 -0.036 0.000 0.319 1280 R C -0.352 176.026 176.300 0.130 0.000 1.067 1280 R CA -0.154 55.946 56.100 -0.000 0.000 0.936 1280 R CB 0.272 30.579 30.300 0.012 0.000 1.006 1280 R HN 0.611 nan 8.270 nan 0.000 0.452 1281 N N 2.384 121.169 118.700 0.142 0.000 3.344 1281 N HA 0.207 4.925 4.740 -0.036 0.000 0.296 1281 N C -1.800 173.678 175.510 -0.052 0.000 1.571 1281 N CA -0.658 52.417 53.050 0.043 0.000 0.844 1281 N CB 0.656 39.031 38.487 -0.187 0.000 1.718 1281 N HN 0.323 nan 8.380 nan 0.000 0.589 1282 Y N 0.297 120.489 120.300 -0.179 0.000 2.299 1282 Y HA 0.465 4.980 4.550 -0.058 0.000 0.326 1282 Y C 1.468 176.996 175.900 -0.619 0.000 1.164 1282 Y CA -0.070 57.861 58.100 -0.282 0.000 1.234 1282 Y CB 0.941 39.270 38.460 -0.217 0.000 1.219 1282 Y HN 0.485 nan 8.280 nan 0.000 0.497 1283 G N 0.834 109.318 108.800 -0.528 0.000 2.544 1283 G HA2 0.267 4.205 3.960 -0.036 0.000 0.242 1283 G HA3 0.267 4.205 3.960 -0.036 0.000 0.242 1283 G C 0.926 175.620 174.900 -0.344 0.000 1.247 1283 G CA -0.210 44.443 45.100 -0.745 0.000 0.840 1283 G HN 0.773 nan 8.290 nan 0.000 0.578 1284 V N 0.534 120.251 119.914 -0.329 0.000 2.913 1284 V HA -0.113 3.985 4.120 -0.036 0.000 0.260 1284 V C 2.527 178.519 176.094 -0.171 0.000 1.098 1284 V CA 1.324 63.499 62.300 -0.208 0.000 1.121 1284 V CB -0.775 30.945 31.823 -0.172 0.000 0.714 1284 V HN 0.397 nan 8.190 nan 0.000 0.487 1285 V N -0.274 119.544 119.914 -0.160 0.000 2.490 1285 V HA -0.251 3.847 4.120 -0.036 0.000 0.250 1285 V C 2.375 178.354 176.094 -0.193 0.000 1.061 1285 V CA 2.451 64.649 62.300 -0.170 0.000 1.064 1285 V CB -1.027 30.702 31.823 -0.156 0.000 0.670 1285 V HN 0.680 nan 8.190 nan 0.000 0.461 1286 Y N 1.302 121.432 120.300 -0.283 0.000 2.497 1286 Y HA -0.171 4.350 4.550 -0.047 0.000 0.292 1286 Y C 2.145 177.854 175.900 -0.319 0.000 1.137 1286 Y CA 1.146 59.076 58.100 -0.282 0.000 1.285 1286 Y CB -0.271 38.099 38.460 -0.148 0.000 0.991 1286 Y HN 0.371 nan 8.280 nan 0.000 0.556 1287 D N -0.838 119.380 120.400 -0.304 0.000 2.190 1287 D HA -0.179 4.440 4.640 -0.036 0.000 0.200 1287 D C 2.171 178.022 176.300 -0.749 0.000 0.992 1287 D CA 1.675 55.420 54.000 -0.423 0.000 0.854 1287 D CB -0.153 40.469 40.800 -0.296 0.000 0.936 1287 D HN 0.316 nan 8.370 nan 0.000 0.462 1288 V N 0.393 119.890 119.914 -0.694 0.000 2.521 1288 V HA -0.097 4.001 4.120 -0.036 0.000 0.239 1288 V C 2.565 178.270 176.094 -0.649 0.000 1.053 1288 V CA 1.668 63.447 62.300 -0.868 0.000 1.073 1288 V CB -0.680 30.845 31.823 -0.498 0.000 0.746 1288 V HN 0.268 nan 8.190 nan 0.000 0.476 1289 T N -0.404 113.874 114.554 -0.460 0.000 2.962 1289 T HA -0.156 4.172 4.350 -0.036 0.000 0.270 1289 T C 1.975 176.472 174.700 -0.339 0.000 1.088 1289 T CA 1.450 63.373 62.100 -0.295 0.000 1.127 1289 T CB -0.547 68.156 68.868 -0.274 0.000 0.883 1289 T HN 0.571 nan 8.240 nan 0.000 0.493 1290 S N 0.152 115.371 115.700 -0.800 0.000 2.419 1290 S HA -0.139 4.309 4.470 -0.036 0.000 0.235 1290 S C 1.641 176.138 174.600 -0.171 0.000 1.019 1290 S CA 0.534 58.206 58.200 -0.880 0.000 0.982 1290 S CB -1.040 61.414 63.200 -1.243 0.000 0.789 1290 S HN 0.639 nan 8.310 nan 0.000 0.490 1291 W N 2.971 124.147 121.300 -0.208 0.000 2.421 1291 W HA 0.057 4.698 4.660 -0.033 0.000 0.270 1291 W C 2.486 179.048 176.519 0.071 0.000 1.233 1291 W CA 1.399 58.726 57.345 -0.030 0.000 1.226 1291 W CB -1.392 28.052 29.460 -0.027 0.000 1.121 1291 W HN 0.652 nan 8.180 nan 0.000 0.579 1292 T N -4.208 110.483 114.554 0.228 0.000 3.054 1292 T HA 0.023 4.351 4.350 -0.036 0.000 0.255 1292 T C 0.485 175.256 174.700 0.118 0.000 1.035 1292 T CA 0.057 62.255 62.100 0.163 0.000 0.941 1292 T CB 0.070 68.984 68.868 0.077 0.000 1.026 1292 T HN -0.218 nan 8.240 nan 0.000 0.533 1293 D N 2.585 123.049 120.400 0.107 0.000 2.845 1293 D HA 0.185 4.803 4.640 -0.036 0.000 0.235 1293 D C 1.018 177.358 176.300 0.066 0.000 1.158 1293 D CA -0.310 53.762 54.000 0.120 0.000 0.990 1293 D CB 0.033 40.961 40.800 0.213 0.000 1.094 1293 D HN 0.380 nan 8.370 nan 0.000 0.486 1294 V N -0.850 119.083 119.914 0.033 0.000 3.166 1294 V HA 0.353 4.451 4.120 -0.036 0.000 0.332 1294 V C 0.550 176.620 176.094 -0.040 0.000 1.434 1294 V CA -0.530 61.741 62.300 -0.049 0.000 1.121 1294 V CB -0.701 31.020 31.823 -0.170 0.000 1.062 1294 V HN 0.049 nan 8.190 nan 0.000 0.489 1295 L N 0.869 122.094 121.223 0.003 0.000 2.418 1295 L HA 0.389 4.707 4.340 -0.036 0.000 0.265 1295 L C -0.881 175.928 176.870 -0.103 0.000 1.143 1295 L CA -1.485 53.355 54.840 0.001 0.000 0.809 1295 L CB 0.639 42.749 42.059 0.084 0.000 1.124 1295 L HN 0.022 nan 8.230 nan 0.000 0.456 1296 P HA -0.195 nan 4.420 nan 0.000 0.215 1296 P C 0.854 177.738 177.300 -0.694 0.000 1.157 1296 P CA 1.228 64.033 63.100 -0.491 0.000 0.874 1296 P CB 0.410 31.866 31.700 -0.407 0.000 0.790 1297 E N -3.020 116.900 120.200 -0.468 0.000 2.564 1297 E HA 0.160 4.488 4.350 -0.036 0.000 0.203 1297 E C 0.733 177.105 176.600 -0.380 0.000 0.867 1297 E CA 0.164 56.275 56.400 -0.483 0.000 1.250 1297 E CB -0.272 29.025 29.700 -0.673 0.000 1.215 1297 E HN -0.065 nan 8.360 nan 0.000 0.566 1298 F N 0.588 120.550 119.950 0.020 0.000 2.317 1298 F HA 0.664 5.169 4.527 -0.037 0.000 0.266 1298 F C 1.455 177.308 175.800 0.090 0.000 0.913 1298 F CA 0.277 58.299 58.000 0.038 0.000 1.117 1298 F CB -0.407 38.584 39.000 -0.016 0.000 1.980 1298 F HN 0.170 nan 8.300 nan 0.000 0.600 1299 G N -1.097 107.954 108.800 0.417 0.000 2.795 1299 G HA2 0.375 4.313 3.960 -0.036 0.000 0.664 1299 G HA3 0.375 4.313 3.960 -0.036 0.000 0.664 1299 G C 0.448 175.419 174.900 0.118 0.000 1.381 1299 G CA -0.246 44.999 45.100 0.241 0.000 0.853 1299 G HN 1.880 nan 8.290 nan 0.000 0.545 1300 G N -0.745 108.079 108.800 0.041 0.000 2.283 1300 G HA2 0.070 4.008 3.960 -0.036 0.000 0.280 1300 G HA3 0.070 4.008 3.960 -0.036 0.000 0.280 1300 G C 0.480 175.098 174.900 -0.471 0.000 1.029 1300 G CA 1.391 46.448 45.100 -0.071 0.000 0.840 1300 G HN 2.331 nan 8.290 nan 0.000 0.505 1301 D N -1.149 119.057 120.400 -0.324 0.000 2.673 1301 D HA 0.122 4.740 4.640 -0.036 0.000 0.278 1301 D C 1.480 177.652 176.300 -0.214 0.000 1.393 1301 D CA 0.539 54.356 54.000 -0.305 0.000 0.805 1301 D CB -0.705 40.054 40.800 -0.068 0.000 1.110 1301 D HN 0.420 nan 8.370 nan 0.000 0.476 1302 T N -2.429 111.986 114.554 -0.231 0.000 3.148 1302 T HA 0.147 4.475 4.350 -0.036 0.000 0.253 1302 T C 0.431 175.187 174.700 0.094 0.000 1.134 1302 T CA 0.287 62.374 62.100 -0.021 0.000 1.051 1302 T CB -0.741 68.172 68.868 0.075 0.000 0.959 1302 T HN 0.371 nan 8.240 nan 0.000 0.525 1303 Y N -1.972 118.362 120.300 0.057 0.000 2.728 1303 Y HA 0.833 5.363 4.550 -0.033 0.000 0.330 1303 Y C 0.069 175.996 175.900 0.046 0.000 1.234 1303 Y CA -1.721 56.418 58.100 0.065 0.000 1.070 1303 Y CB 0.829 39.341 38.460 0.086 0.000 1.300 1303 Y HN 0.101 nan 8.280 nan 0.000 0.467 1304 G N -0.262 108.656 108.800 0.197 0.000 2.975 1304 G HA2 0.535 4.473 3.960 -0.036 0.000 0.291 1304 G HA3 0.535 4.473 3.960 -0.036 0.000 0.291 1304 G C -1.588 173.367 174.900 0.092 0.000 1.334 1304 G CA -1.192 43.941 45.100 0.055 0.000 0.843 1304 G HN 0.643 nan 8.290 nan 0.000 0.548 1305 S N 0.388 116.070 115.700 -0.031 0.000 2.601 1305 S HA 0.401 4.849 4.470 -0.036 0.000 0.271 1305 S C -0.375 174.166 174.600 -0.098 0.000 1.305 1305 S CA -0.159 57.993 58.200 -0.080 0.000 1.022 1305 S CB 0.804 63.906 63.200 -0.165 0.000 0.940 1305 S HN 0.599 nan 8.310 nan 0.000 0.525 1306 D N 1.662 122.000 120.400 -0.104 0.000 2.697 1306 D HA -0.195 4.423 4.640 -0.036 0.000 0.238 1306 D C -0.292 175.911 176.300 -0.160 0.000 1.152 1306 D CA 0.669 54.586 54.000 -0.139 0.000 0.666 1306 D CB -1.244 39.455 40.800 -0.168 0.000 1.037 1306 D HN 0.678 nan 8.370 nan 0.000 0.423 1307 N N 0.358 119.004 118.700 -0.090 0.000 2.765 1307 N HA 0.228 4.946 4.740 -0.036 0.000 0.277 1307 N C 0.369 175.915 175.510 0.061 0.000 1.750 1307 N CA -0.471 52.542 53.050 -0.062 0.000 0.827 1307 N CB 0.438 38.983 38.487 0.098 0.000 1.200 1307 N HN -0.065 nan 8.380 nan 0.000 0.494 1308 F N -0.061 119.935 119.950 0.076 0.000 2.169 1308 F HA -0.404 4.099 4.527 -0.040 0.000 0.314 1308 F C 1.229 177.118 175.800 0.148 0.000 0.318 1308 F CA 1.139 59.177 58.000 0.063 0.000 0.904 1308 F CB -0.603 38.413 39.000 0.028 0.000 4.078 1308 F HN 0.282 nan 8.300 nan 0.000 0.173 1309 M N 0.501 120.319 119.600 0.362 0.000 2.723 1309 M HA 0.143 4.601 4.480 -0.036 0.000 0.270 1309 M C 0.868 177.226 176.300 0.097 0.000 1.282 1309 M CA 0.341 55.813 55.300 0.287 0.000 0.995 1309 M CB 0.112 32.825 32.600 0.187 0.000 1.430 1309 M HN 0.445 nan 8.290 nan 0.000 0.477 1310 Q N -0.100 119.771 119.800 0.117 0.000 2.339 1310 Q HA 0.109 4.427 4.340 -0.036 0.000 0.205 1310 Q C 1.338 177.300 176.000 -0.063 0.000 0.925 1310 Q CA 0.737 56.533 55.803 -0.011 0.000 0.898 1310 Q CB 0.842 29.607 28.738 0.045 0.000 1.013 1310 Q HN 0.548 nan 8.270 nan 0.000 0.504 1311 Q N -0.712 119.105 119.800 0.029 0.000 2.634 1311 Q HA 0.278 4.597 4.340 -0.036 0.000 0.417 1311 Q C -0.834 175.105 176.000 -0.101 0.000 0.592 1311 Q CA -0.557 55.226 55.803 -0.034 0.000 0.952 1311 Q CB 1.035 29.830 28.738 0.094 0.000 1.171 1311 Q HN 0.000 nan 8.270 nan 0.000 0.369 1312 R N -0.420 119.917 120.500 -0.271 0.000 2.594 1312 R HA 0.554 4.872 4.340 -0.036 0.000 0.272 1312 R C -0.069 176.204 176.300 -0.045 0.000 1.074 1312 R CA 0.605 56.501 56.100 -0.341 0.000 1.105 1312 R CB 0.794 30.793 30.300 -0.501 0.000 1.008 1312 R HN 0.630 nan 8.270 nan 0.000 0.472 1313 G N 1.041 109.871 108.800 0.049 0.000 2.466 1313 G HA2 0.141 4.079 3.960 -0.036 0.000 0.291 1313 G HA3 0.141 4.079 3.960 -0.036 0.000 0.291 1313 G C -1.627 173.060 174.900 -0.355 0.000 1.460 1313 G CA -1.014 44.006 45.100 -0.135 0.000 0.791 1313 G HN 0.579 nan 8.290 nan 0.000 0.505 1314 N N -0.477 117.969 118.700 -0.423 0.000 2.509 1314 N HA 0.498 5.216 4.740 -0.036 0.000 0.287 1314 N C 0.844 176.037 175.510 -0.530 0.000 1.121 1314 N CA 0.648 53.477 53.050 -0.369 0.000 0.977 1314 N CB 1.536 39.897 38.487 -0.209 0.000 1.167 1314 N HN 1.649 nan 8.380 nan 0.000 0.476 1315 G N 0.523 109.063 108.800 -0.433 0.000 2.182 1315 G HA2 -0.255 3.683 3.960 -0.036 0.000 0.248 1315 G HA3 -0.255 3.683 3.960 -0.036 0.000 0.248 1315 G C -0.715 174.031 174.900 -0.256 0.000 1.042 1315 G CA -0.457 44.456 45.100 -0.312 0.000 0.775 1315 G HN 0.379 nan 8.290 nan 0.000 0.501 1316 F N 0.926 120.726 119.950 -0.249 0.000 2.424 1316 F HA 0.618 5.124 4.527 -0.035 0.000 0.356 1316 F C 0.781 176.544 175.800 -0.063 0.000 1.110 1316 F CA -0.641 57.294 58.000 -0.108 0.000 1.161 1316 F CB 1.646 40.554 39.000 -0.153 0.000 1.115 1316 F HN 0.391 nan 8.300 nan 0.000 0.507 1317 A N 3.127 126.203 122.820 0.426 0.000 2.256 1317 A HA 0.680 4.978 4.320 -0.036 0.000 0.317 1317 A C -0.355 177.385 177.584 0.260 0.000 1.318 1317 A CA -0.409 51.876 52.037 0.413 0.000 0.894 1317 A CB 0.139 19.560 19.000 0.701 0.000 1.165 1317 A HN 0.665 nan 8.150 nan 0.000 0.525 1318 T N 2.752 117.232 114.554 -0.123 0.000 2.809 1318 T HA 0.524 4.853 4.350 -0.036 0.000 0.284 1318 T C -1.153 173.484 174.700 -0.105 0.000 0.992 1318 T CA 0.031 62.088 62.100 -0.073 0.000 0.957 1318 T CB 0.394 69.149 68.868 -0.188 0.000 0.942 1318 T HN 0.427 nan 8.240 nan 0.000 0.439 1319 Y N 2.085 122.503 120.300 0.196 0.000 2.352 1319 Y HA 0.636 5.202 4.550 0.026 0.000 0.339 1319 Y C 0.822 176.767 175.900 0.074 0.000 0.992 1319 Y CA -1.072 57.163 58.100 0.224 0.000 1.100 1319 Y CB 1.461 40.080 38.460 0.265 0.000 1.192 1319 Y HN 0.317 nan 8.280 nan 0.000 0.458 1320 R N 2.076 122.660 120.500 0.140 0.000 2.686 1320 R HA 0.369 4.687 4.340 -0.036 0.000 0.283 1320 R C -1.347 174.841 176.300 -0.188 0.000 0.978 1320 R CA -1.080 54.993 56.100 -0.044 0.000 0.897 1320 R CB 2.045 32.309 30.300 -0.059 0.000 1.192 1320 R HN 0.548 nan 8.270 nan 0.000 0.457 1321 N N 1.601 119.996 118.700 -0.508 0.000 2.448 1321 N HA 0.172 4.890 4.740 -0.036 0.000 0.279 1321 N C -1.442 173.728 175.510 -0.568 0.000 1.025 1321 N CA -0.227 52.397 53.050 -0.710 0.000 0.898 1321 N CB 1.976 39.640 38.487 -1.371 0.000 1.303 1321 N HN 0.649 nan 8.380 nan 0.000 0.495 1322 T N 0.439 114.806 114.554 -0.312 0.000 2.795 1322 T HA 0.359 4.687 4.350 -0.036 0.000 0.282 1322 T C -0.056 174.594 174.700 -0.082 0.000 0.980 1322 T CA -0.321 61.685 62.100 -0.157 0.000 1.012 1322 T CB 0.968 69.783 68.868 -0.088 0.000 0.936 1322 T HN 0.449 nan 8.240 nan 0.000 0.457 1323 D N 0.409 120.826 120.400 0.028 0.000 3.059 1323 D HA -0.219 4.399 4.640 -0.036 0.000 0.220 1323 D C 0.068 176.509 176.300 0.236 0.000 1.169 1323 D CA 1.449 55.529 54.000 0.133 0.000 0.902 1323 D CB -2.089 38.773 40.800 0.103 0.000 1.116 1323 D HN 0.894 nan 8.370 nan 0.000 0.417 1324 F N -0.463 119.483 119.950 -0.007 0.000 2.572 1324 F HA -0.319 4.186 4.527 -0.038 0.000 0.282 1324 F C 0.192 176.107 175.800 0.192 0.000 1.047 1324 F CA 0.719 58.766 58.000 0.079 0.000 1.022 1324 F CB -1.613 37.545 39.000 0.263 0.000 1.226 1324 F HN 0.109 nan 8.300 nan 0.000 0.827 1325 F N 0.916 120.789 119.950 -0.127 0.000 3.084 1325 F HA -0.203 4.311 4.527 -0.022 0.000 0.286 1325 F C 1.551 177.364 175.800 0.021 0.000 0.855 1325 F CA 1.462 59.406 58.000 -0.094 0.000 1.091 1325 F CB -1.570 37.303 39.000 -0.211 0.000 1.177 1325 F HN 1.233 nan 8.300 nan 0.000 0.542 1326 G N -0.754 108.137 108.800 0.151 0.000 2.179 1326 G HA2 -0.261 3.677 3.960 -0.036 0.000 0.257 1326 G HA3 -0.261 3.677 3.960 -0.036 0.000 0.257 1326 G C 0.453 175.466 174.900 0.189 0.000 1.010 1326 G CA 0.443 45.632 45.100 0.150 0.000 0.736 1326 G HN 0.513 nan 8.290 nan 0.000 0.513 1327 L N -0.763 120.623 121.223 0.272 0.000 2.766 1327 L HA 0.435 4.753 4.340 -0.036 0.000 0.242 1327 L C 0.616 177.647 176.870 0.268 0.000 1.136 1327 L CA 0.481 55.486 54.840 0.276 0.000 0.933 1327 L CB 1.320 43.583 42.059 0.341 0.000 1.241 1327 L HN 0.126 nan 8.230 nan 0.000 0.522 1328 V N -0.404 119.682 119.914 0.286 0.000 2.501 1328 V HA 0.262 4.360 4.120 -0.036 0.000 0.277 1328 V C -0.908 175.332 176.094 0.244 0.000 1.004 1328 V CA -1.155 61.282 62.300 0.229 0.000 0.862 1328 V CB 1.295 33.223 31.823 0.175 0.000 1.035 1328 V HN -0.027 nan 8.190 nan 0.000 0.448 1329 D N 3.444 123.975 120.400 0.217 0.000 2.487 1329 D HA 0.390 5.008 4.640 -0.036 0.000 0.243 1329 D C 1.335 177.785 176.300 0.250 0.000 1.154 1329 D CA 2.143 56.260 54.000 0.196 0.000 0.876 1329 D CB 1.254 42.151 40.800 0.162 0.000 1.161 1329 D HN 0.957 nan 8.370 nan 0.000 0.478 1330 G N 1.602 110.511 108.800 0.181 0.000 2.217 1330 G HA2 -0.270 3.668 3.960 -0.036 0.000 0.246 1330 G HA3 -0.270 3.668 3.960 -0.036 0.000 0.246 1330 G C 0.147 175.207 174.900 0.267 0.000 0.990 1330 G CA 0.080 45.259 45.100 0.133 0.000 0.627 1330 G HN 0.496 nan 8.290 nan 0.000 0.522 1331 L N 1.749 123.202 121.223 0.384 0.000 2.265 1331 L HA 0.789 5.107 4.340 -0.036 0.000 0.288 1331 L C -0.685 176.338 176.870 0.255 0.000 1.058 1331 L CA -1.162 53.917 54.840 0.399 0.000 0.809 1331 L CB 0.959 43.207 42.059 0.315 0.000 1.179 1331 L HN 0.155 nan 8.230 nan 0.000 0.429 1332 N N 4.809 123.642 118.700 0.221 0.000 2.238 1332 N HA 0.670 5.388 4.740 -0.036 0.000 0.302 1332 N C -1.214 174.401 175.510 0.176 0.000 1.072 1332 N CA -0.197 52.908 53.050 0.093 0.000 0.792 1332 N CB 1.819 40.329 38.487 0.038 0.000 1.425 1332 N HN 0.471 nan 8.380 nan 0.000 0.478 1333 F N -0.757 119.227 119.950 0.056 0.000 2.629 1333 F HA 0.976 5.491 4.527 -0.020 0.000 0.316 1333 F C -1.067 174.745 175.800 0.020 0.000 1.081 1333 F CA -1.344 56.677 58.000 0.035 0.000 0.954 1333 F CB 1.247 40.280 39.000 0.054 0.000 1.337 1333 F HN 0.462 nan 8.300 nan 0.000 0.474 1334 A N 1.187 124.159 122.820 0.254 0.000 2.520 1334 A HA 0.803 5.101 4.320 -0.036 0.000 0.298 1334 A C -2.079 175.594 177.584 0.148 0.000 1.051 1334 A CA -0.815 51.302 52.037 0.133 0.000 0.690 1334 A CB 1.700 20.707 19.000 0.011 0.000 1.281 1334 A HN 0.972 nan 8.150 nan 0.000 0.402 1335 V N 1.387 121.387 119.914 0.145 0.000 2.709 1335 V HA 0.693 4.791 4.120 -0.036 0.000 0.308 1335 V C -0.321 175.775 176.094 0.002 0.000 1.062 1335 V CA -0.449 61.865 62.300 0.023 0.000 0.901 1335 V CB 1.741 33.569 31.823 0.009 0.000 1.003 1335 V HN 0.985 nan 8.190 nan 0.000 0.425 1336 Q N 2.264 121.939 119.800 -0.208 0.000 2.359 1336 Q HA 0.627 4.945 4.340 -0.036 0.000 0.274 1336 Q C -2.238 173.589 176.000 -0.287 0.000 1.074 1336 Q CA -0.642 55.089 55.803 -0.121 0.000 0.810 1336 Q CB 2.675 31.353 28.738 -0.100 0.000 1.342 1336 Q HN 0.718 nan 8.270 nan 0.000 0.427 1337 Y N 0.814 121.293 120.300 0.298 0.000 2.429 1337 Y HA 0.389 4.912 4.550 -0.045 0.000 0.342 1337 Y C -0.414 175.677 175.900 0.318 0.000 1.004 1337 Y CA -0.711 57.553 58.100 0.273 0.000 1.075 1337 Y CB 2.161 40.781 38.460 0.267 0.000 1.214 1337 Y HN 0.502 nan 8.280 nan 0.000 0.455 1338 Q N 1.601 121.632 119.800 0.386 0.000 2.330 1338 Q HA 0.593 4.911 4.340 -0.036 0.000 0.269 1338 Q C -0.306 175.781 176.000 0.145 0.000 1.022 1338 Q CA -0.775 55.155 55.803 0.212 0.000 0.796 1338 Q CB 1.661 30.463 28.738 0.107 0.000 1.271 1338 Q HN 0.998 nan 8.270 nan 0.000 0.450 1339 G N 2.674 111.538 108.800 0.108 0.000 2.539 1339 G HA2 0.116 4.055 3.960 -0.036 0.000 0.258 1339 G HA3 0.116 4.055 3.960 -0.036 0.000 0.258 1339 G C -0.651 174.262 174.900 0.022 0.000 1.202 1339 G CA -0.469 44.681 45.100 0.083 0.000 0.851 1339 G HN 0.680 nan 8.290 nan 0.000 0.556 1340 K N 0.724 121.138 120.400 0.023 0.000 2.524 1340 K HA -0.020 4.278 4.320 -0.036 0.000 0.279 1340 K C -0.537 176.046 176.600 -0.029 0.000 0.993 1340 K CA 0.271 56.557 56.287 -0.001 0.000 1.030 1340 K CB 0.110 32.611 32.500 0.003 0.000 0.891 1340 K HN 0.470 nan 8.250 nan 0.000 0.488 1341 N N 2.815 121.481 118.700 -0.055 0.000 2.531 1341 N HA 0.235 4.953 4.740 -0.036 0.000 0.268 1341 N C -0.416 175.043 175.510 -0.084 0.000 1.023 1341 N CA -0.427 52.577 53.050 -0.076 0.000 0.896 1341 N CB 1.977 40.398 38.487 -0.111 0.000 1.233 1341 N HN 0.784 nan 8.380 nan 0.000 0.512 1342 G N 1.019 109.769 108.800 -0.084 0.000 3.039 1342 G HA2 0.218 4.156 3.960 -0.036 0.000 0.159 1342 G HA3 0.218 4.156 3.960 -0.036 0.000 0.159 1342 G C 0.093 174.891 174.900 -0.170 0.000 1.284 1342 G CA -0.363 44.672 45.100 -0.110 0.000 0.996 1342 G HN 0.340 nan 8.290 nan 0.000 0.592 1343 N N 1.581 120.124 118.700 -0.263 0.000 2.479 1343 N HA 0.263 4.981 4.740 -0.036 0.000 0.257 1343 N C -2.407 172.918 175.510 -0.308 0.000 1.232 1343 N CA -0.833 51.920 53.050 -0.496 0.000 0.920 1343 N CB 0.887 38.800 38.487 -0.957 0.000 1.105 1343 N HN 0.062 nan 8.380 nan 0.000 0.444 1344 P HA 0.013 nan 4.420 nan 0.000 0.269 1344 P C -0.204 177.130 177.300 0.057 0.000 1.209 1344 P CA -0.151 62.929 63.100 -0.033 0.000 0.776 1344 P CB 0.370 32.105 31.700 0.059 0.000 0.876 1345 S N 0.513 116.249 115.700 0.060 0.000 2.632 1345 S HA 0.518 4.966 4.470 -0.036 0.000 0.271 1345 S C 1.094 175.756 174.600 0.103 0.000 1.260 1345 S CA 0.114 58.365 58.200 0.085 0.000 1.010 1345 S CB 0.169 63.400 63.200 0.050 0.000 0.965 1345 S HN 0.930 nan 8.310 nan 0.000 0.534 1346 G N 0.781 109.641 108.800 0.099 0.000 2.160 1346 G HA2 -0.233 3.705 3.960 -0.036 0.000 0.251 1346 G HA3 -0.233 3.705 3.960 -0.036 0.000 0.251 1346 G C 0.093 175.041 174.900 0.080 0.000 1.008 1346 G CA 0.473 45.618 45.100 0.075 0.000 0.724 1346 G HN 0.801 nan 8.290 nan 0.000 0.514 1347 E N -0.944 119.332 120.200 0.127 0.000 2.660 1347 E HA 0.409 4.737 4.350 -0.036 0.000 0.216 1347 E C 1.558 178.112 176.600 -0.076 0.000 0.986 1347 E CA 0.141 56.587 56.400 0.077 0.000 1.037 1347 E CB 0.517 30.341 29.700 0.207 0.000 1.041 1347 E HN 1.322 nan 8.360 nan 0.000 0.480 1348 G N 1.412 110.193 108.800 -0.032 0.000 2.132 1348 G HA2 -0.278 3.660 3.960 -0.036 0.000 0.234 1348 G HA3 -0.278 3.660 3.960 -0.036 0.000 0.234 1348 G C -0.089 174.714 174.900 -0.161 0.000 0.989 1348 G CA -0.293 44.744 45.100 -0.106 0.000 0.676 1348 G HN 0.181 nan 8.290 nan 0.000 0.522 1349 F N 0.854 120.815 119.950 0.019 0.000 2.429 1349 F HA 0.486 4.992 4.527 -0.034 0.000 0.348 1349 F C 1.853 177.665 175.800 0.020 0.000 1.109 1349 F CA 0.830 58.843 58.000 0.022 0.000 1.232 1349 F CB 1.557 40.572 39.000 0.025 0.000 1.157 1349 F HN 0.100 nan 8.300 nan 0.000 0.564 1350 T N -2.135 112.541 114.554 0.202 0.000 3.054 1350 T HA 0.310 4.639 4.350 -0.036 0.000 0.255 1350 T C 0.056 174.823 174.700 0.111 0.000 1.035 1350 T CA 0.382 62.552 62.100 0.117 0.000 0.941 1350 T CB -0.372 68.538 68.868 0.070 0.000 1.026 1350 T HN 0.547 nan 8.240 nan 0.000 0.533 1351 S N -1.496 114.290 115.700 0.142 0.000 2.615 1351 S HA 0.601 5.049 4.470 -0.036 0.000 0.269 1351 S C 0.775 175.412 174.600 0.060 0.000 1.161 1351 S CA -0.211 58.042 58.200 0.088 0.000 0.817 1351 S CB 0.875 64.120 63.200 0.075 0.000 1.131 1351 S HN 1.207 nan 8.310 nan 0.000 0.467 1352 G N -0.315 108.497 108.800 0.020 0.000 2.168 1352 G HA2 -0.218 3.720 3.960 -0.036 0.000 0.257 1352 G HA3 -0.218 3.720 3.960 -0.036 0.000 0.257 1352 G C 0.093 174.953 174.900 -0.066 0.000 0.997 1352 G CA 0.229 45.315 45.100 -0.024 0.000 0.708 1352 G HN 1.304 nan 8.290 nan 0.000 0.520 1353 V N 1.272 121.164 119.914 -0.037 0.000 2.686 1353 V HA 0.660 4.759 4.120 -0.036 0.000 0.295 1353 V C 0.994 177.069 176.094 -0.033 0.000 1.055 1353 V CA 0.621 62.892 62.300 -0.049 0.000 1.050 1353 V CB 1.403 33.235 31.823 0.015 0.000 0.984 1353 V HN 0.818 nan 8.190 nan 0.000 0.482 1354 T N 0.144 114.673 114.554 -0.042 0.000 2.901 1354 T HA 0.317 4.645 4.350 -0.036 0.000 0.293 1354 T C 0.833 175.526 174.700 -0.011 0.000 1.084 1354 T CA -0.243 61.844 62.100 -0.021 0.000 1.008 1354 T CB 1.364 70.217 68.868 -0.026 0.000 1.170 1354 T HN 0.658 nan 8.240 nan 0.000 0.509 1355 N N 1.381 120.082 118.700 0.002 0.000 2.205 1355 N HA -0.210 4.508 4.740 -0.036 0.000 0.186 1355 N C 0.938 176.451 175.510 0.006 0.000 1.015 1355 N CA 1.639 54.695 53.050 0.010 0.000 0.862 1355 N CB -0.429 38.069 38.487 0.018 0.000 0.986 1355 N HN 0.702 nan 8.380 nan 0.000 0.429 1356 N N -0.292 118.405 118.700 -0.004 0.000 2.380 1356 N HA 0.193 4.912 4.740 -0.036 0.000 0.255 1356 N C 0.218 175.709 175.510 -0.032 0.000 1.158 1356 N CA -0.238 52.806 53.050 -0.010 0.000 0.878 1356 N CB -0.242 38.240 38.487 -0.008 0.000 1.138 1356 N HN 0.292 nan 8.380 nan 0.000 0.509 1357 G N 0.990 109.765 108.800 -0.041 0.000 2.664 1357 G HA2 0.325 4.263 3.960 -0.036 0.000 0.242 1357 G HA3 0.325 4.263 3.960 -0.036 0.000 0.242 1357 G C 0.257 175.116 174.900 -0.069 0.000 1.225 1357 G CA -0.288 44.768 45.100 -0.074 0.000 0.849 1357 G HN 0.612 nan 8.290 nan 0.000 0.581 1358 R N 0.083 120.527 120.500 -0.094 0.000 2.762 1358 R HA 0.216 4.534 4.340 -0.036 0.000 0.271 1358 R C -0.789 175.465 176.300 -0.076 0.000 1.038 1358 R CA -0.703 55.353 56.100 -0.072 0.000 0.906 1358 R CB -0.020 30.234 30.300 -0.077 0.000 1.259 1358 R HN 0.679 nan 8.270 nan 0.000 0.457 1359 D N 0.084 120.459 120.400 -0.042 0.000 2.419 1359 D HA 0.025 4.643 4.640 -0.036 0.000 0.236 1359 D C 0.835 177.116 176.300 -0.032 0.000 1.165 1359 D CA 0.353 54.346 54.000 -0.011 0.000 0.882 1359 D CB 0.874 41.672 40.800 -0.002 0.000 1.201 1359 D HN 0.605 nan 8.370 nan 0.000 0.443 1360 A N 2.269 125.095 122.820 0.010 0.000 1.972 1360 A HA -0.122 4.176 4.320 -0.036 0.000 0.219 1360 A C 2.465 180.043 177.584 -0.010 0.000 1.169 1360 A CA 0.718 52.751 52.037 -0.007 0.000 0.635 1360 A CB -0.626 18.395 19.000 0.034 0.000 0.810 1360 A HN 0.665 nan 8.150 nan 0.000 0.446 1361 L N -1.472 119.662 121.223 -0.148 0.000 2.353 1361 L HA -0.100 4.218 4.340 -0.036 0.000 0.220 1361 L C 2.087 178.902 176.870 -0.091 0.000 1.133 1361 L CA 0.977 55.691 54.840 -0.212 0.000 0.798 1361 L CB -0.217 41.639 42.059 -0.339 0.000 0.922 1361 L HN 0.335 nan 8.230 nan 0.000 0.445 1362 R N -1.373 119.062 120.500 -0.108 0.000 2.543 1362 R HA 0.185 4.503 4.340 -0.036 0.000 0.323 1362 R C 0.207 176.401 176.300 -0.177 0.000 1.002 1362 R CA -0.177 55.831 56.100 -0.153 0.000 1.106 1362 R CB 0.550 30.763 30.300 -0.146 0.000 1.280 1362 R HN 0.368 nan 8.270 nan 0.000 0.549 1363 Q N 1.513 121.220 119.800 -0.155 0.000 2.237 1363 Q HA 0.250 4.568 4.340 -0.036 0.000 0.219 1363 Q C -0.272 175.582 176.000 -0.243 0.000 0.999 1363 Q CA -0.414 55.294 55.803 -0.159 0.000 0.959 1363 Q CB 1.070 29.748 28.738 -0.100 0.000 1.173 1363 Q HN 0.200 nan 8.270 nan 0.000 0.527 1364 N N -1.333 117.291 118.700 -0.128 0.000 2.710 1364 N HA 0.246 4.964 4.740 -0.036 0.000 0.257 1364 N C -0.907 174.624 175.510 0.034 0.000 1.140 1364 N CA -0.465 52.582 53.050 -0.004 0.000 0.953 1364 N CB 1.012 39.492 38.487 -0.010 0.000 1.664 1364 N HN 0.627 nan 8.380 nan 0.000 0.497 1365 G N 0.174 109.026 108.800 0.085 0.000 2.508 1365 G HA2 0.212 4.150 3.960 -0.036 0.000 0.278 1365 G HA3 0.212 4.150 3.960 -0.036 0.000 0.278 1365 G C -0.388 174.550 174.900 0.064 0.000 1.389 1365 G CA -0.285 44.844 45.100 0.048 0.000 1.050 1365 G HN 0.633 nan 8.290 nan 0.000 0.522 1366 D N -0.342 120.092 120.400 0.057 0.000 2.443 1366 D HA 0.440 5.059 4.640 -0.036 0.000 0.239 1366 D C 0.589 176.949 176.300 0.100 0.000 1.136 1366 D CA 0.847 54.897 54.000 0.083 0.000 0.879 1366 D CB 1.247 42.094 40.800 0.078 0.000 1.195 1366 D HN 0.532 nan 8.370 nan 0.000 0.443 1367 G N -0.531 108.355 108.800 0.143 0.000 2.619 1367 G HA2 0.568 4.506 3.960 -0.036 0.000 0.296 1367 G HA3 0.568 4.506 3.960 -0.036 0.000 0.296 1367 G C -1.455 173.551 174.900 0.176 0.000 1.334 1367 G CA -0.556 44.626 45.100 0.137 0.000 0.934 1367 G HN 0.407 nan 8.290 nan 0.000 0.476 1368 V N -0.160 119.809 119.914 0.092 0.000 2.841 1368 V HA 0.991 5.089 4.120 -0.036 0.000 0.310 1368 V C 0.030 176.083 176.094 -0.069 0.000 1.090 1368 V CA 0.448 62.750 62.300 0.003 0.000 0.930 1368 V CB 1.955 33.804 31.823 0.044 0.000 1.014 1368 V HN 1.600 nan 8.190 nan 0.000 0.425 1369 G N 2.685 111.400 108.800 -0.142 0.000 2.682 1369 G HA2 0.835 4.773 3.960 -0.036 0.000 0.290 1369 G HA3 0.835 4.773 3.960 -0.036 0.000 0.290 1369 G C -0.657 174.162 174.900 -0.135 0.000 1.425 1369 G CA -0.255 44.770 45.100 -0.126 0.000 0.807 1369 G HN 1.442 nan 8.290 nan 0.000 0.482 1370 G N -1.036 107.703 108.800 -0.102 0.000 2.704 1370 G HA2 0.766 4.704 3.960 -0.036 0.000 0.293 1370 G HA3 0.766 4.704 3.960 -0.036 0.000 0.293 1370 G C -0.787 174.083 174.900 -0.051 0.000 1.421 1370 G CA 0.339 45.403 45.100 -0.060 0.000 0.870 1370 G HN 1.662 nan 8.290 nan 0.000 0.492 1371 S N -0.462 115.232 115.700 -0.010 0.000 2.546 1371 S HA 0.827 5.275 4.470 -0.036 0.000 0.274 1371 S C -1.020 173.616 174.600 0.059 0.000 1.121 1371 S CA -0.785 57.403 58.200 -0.021 0.000 0.887 1371 S CB 1.813 64.965 63.200 -0.080 0.000 1.094 1371 S HN 0.717 nan 8.310 nan 0.000 0.474 1372 I N 2.198 122.796 120.570 0.046 0.000 2.533 1372 I HA 0.565 4.713 4.170 -0.036 0.000 0.290 1372 I C -0.576 175.596 176.117 0.093 0.000 1.056 1372 I CA -0.601 60.767 61.300 0.115 0.000 1.057 1372 I CB 2.613 40.672 38.000 0.099 0.000 1.240 1372 I HN 0.953 nan 8.210 nan 0.000 0.423 1373 T N 1.644 116.289 114.554 0.151 0.000 2.900 1373 T HA 0.597 4.925 4.350 -0.036 0.000 0.295 1373 T C -1.375 173.526 174.700 0.335 0.000 1.044 1373 T CA -0.802 61.428 62.100 0.217 0.000 0.995 1373 T CB 2.220 71.192 68.868 0.173 0.000 1.072 1373 T HN 0.427 nan 8.240 nan 0.000 0.473 1374 Y N 1.046 121.477 120.300 0.220 0.000 2.373 1374 Y HA 0.540 5.067 4.550 -0.040 0.000 0.336 1374 Y C -1.483 174.540 175.900 0.204 0.000 0.979 1374 Y CA -1.300 56.909 58.100 0.183 0.000 1.080 1374 Y CB 1.864 40.404 38.460 0.134 0.000 1.190 1374 Y HN 0.804 nan 8.280 nan 0.000 0.446 1375 D N 5.803 125.978 120.400 -0.374 0.000 2.481 1375 D HA 0.114 4.732 4.640 -0.036 0.000 0.246 1375 D C -1.838 174.185 176.300 -0.461 0.000 1.109 1375 D CA -0.226 53.586 54.000 -0.314 0.000 0.845 1375 D CB 1.760 42.482 40.800 -0.131 0.000 1.160 1375 D HN 0.515 nan 8.370 nan 0.000 0.534 1376 Y N 2.961 122.979 120.300 -0.470 0.000 2.328 1376 Y HA 0.151 4.678 4.550 -0.038 0.000 0.333 1376 Y C 0.938 176.816 175.900 -0.037 0.000 0.958 1376 Y CA -0.304 57.635 58.100 -0.268 0.000 1.167 1376 Y CB 0.456 38.809 38.460 -0.179 0.000 1.151 1376 Y HN 0.543 nan 8.280 nan 0.000 0.470 1377 E N 2.465 122.350 120.200 -0.526 0.000 3.211 1377 E HA -0.350 3.979 4.350 -0.036 0.000 0.393 1377 E C 1.149 177.565 176.600 -0.307 0.000 1.515 1377 E CA 1.436 57.583 56.400 -0.422 0.000 1.385 1377 E CB -1.323 28.096 29.700 -0.467 0.000 1.616 1377 E HN 0.833 nan 8.360 nan 0.000 0.489 1378 G N 0.251 108.844 108.800 -0.345 0.000 2.551 1378 G HA2 0.173 4.111 3.960 -0.036 0.000 0.216 1378 G HA3 0.173 4.111 3.960 -0.036 0.000 0.216 1378 G C 0.304 174.832 174.900 -0.620 0.000 1.137 1378 G CA 0.097 44.815 45.100 -0.638 0.000 0.798 1378 G HN 0.093 nan 8.290 nan 0.000 0.536 1379 F N 0.486 120.327 119.950 -0.182 0.000 2.382 1379 F HA 0.589 5.093 4.527 -0.038 0.000 0.331 1379 F C 0.849 176.533 175.800 -0.193 0.000 1.121 1379 F CA -0.098 57.845 58.000 -0.094 0.000 1.183 1379 F CB 1.697 40.728 39.000 0.051 0.000 1.207 1379 F HN 0.054 nan 8.300 nan 0.000 0.555 1380 G N 1.958 110.736 108.800 -0.036 0.000 2.682 1380 G HA2 0.642 4.580 3.960 -0.036 0.000 0.300 1380 G HA3 0.642 4.580 3.960 -0.036 0.000 0.300 1380 G C -2.118 172.813 174.900 0.052 0.000 1.391 1380 G CA -0.574 44.437 45.100 -0.149 0.000 0.990 1380 G HN 0.719 nan 8.290 nan 0.000 0.501 1381 I N 0.911 121.668 120.570 0.312 0.000 2.722 1381 I HA 0.860 5.008 4.170 -0.036 0.000 0.295 1381 I C -0.160 176.246 176.117 0.481 0.000 1.161 1381 I CA -0.639 60.897 61.300 0.394 0.000 1.032 1381 I CB 2.317 40.481 38.000 0.273 0.000 1.244 1381 I HN 0.879 nan 8.210 nan 0.000 0.421 1382 G N 3.599 112.617 108.800 0.364 0.000 2.677 1382 G HA2 0.715 4.653 3.960 -0.036 0.000 0.291 1382 G HA3 0.715 4.653 3.960 -0.036 0.000 0.291 1382 G C -1.590 173.337 174.900 0.045 0.000 1.435 1382 G CA -0.431 44.747 45.100 0.129 0.000 0.826 1382 G HN 0.934 nan 8.290 nan 0.000 0.491 1383 G N -1.423 107.371 108.800 -0.010 0.000 2.718 1383 G HA2 0.948 4.887 3.960 -0.036 0.000 0.295 1383 G HA3 0.948 4.887 3.960 -0.036 0.000 0.295 1383 G C -1.026 173.849 174.900 -0.043 0.000 1.421 1383 G CA 0.331 45.430 45.100 -0.001 0.000 0.902 1383 G HN 1.792 nan 8.290 nan 0.000 0.501 1384 A N 0.569 123.362 122.820 -0.045 0.000 2.572 1384 A HA 0.853 5.152 4.320 -0.036 0.000 0.295 1384 A C -1.525 176.011 177.584 -0.080 0.000 1.072 1384 A CA -0.605 51.386 52.037 -0.077 0.000 0.691 1384 A CB 1.718 20.639 19.000 -0.131 0.000 1.291 1384 A HN 1.484 nan 8.150 nan 0.000 0.404 1385 I N 1.287 121.786 120.570 -0.117 0.000 2.619 1385 I HA 0.688 4.836 4.170 -0.036 0.000 0.292 1385 I C -0.503 175.487 176.117 -0.212 0.000 1.100 1385 I CA -0.212 60.960 61.300 -0.214 0.000 1.043 1385 I CB 2.194 40.091 38.000 -0.172 0.000 1.239 1385 I HN 0.928 nan 8.210 nan 0.000 0.420 1386 S N 4.213 119.749 115.700 -0.273 0.000 2.549 1386 S HA 0.742 5.190 4.470 -0.036 0.000 0.280 1386 S C -0.963 173.510 174.600 -0.212 0.000 1.109 1386 S CA -0.635 57.455 58.200 -0.184 0.000 0.905 1386 S CB 1.939 65.070 63.200 -0.116 0.000 1.081 1386 S HN 0.623 nan 8.310 nan 0.000 0.477 1387 S N 1.262 116.881 115.700 -0.135 0.000 2.750 1387 S HA 0.665 5.113 4.470 -0.036 0.000 0.276 1387 S C -1.380 173.170 174.600 -0.083 0.000 1.165 1387 S CA -0.436 57.685 58.200 -0.131 0.000 1.047 1387 S CB 0.831 63.971 63.200 -0.101 0.000 1.056 1387 S HN 0.785 nan 8.310 nan 0.000 0.481 1388 S N 3.697 119.313 115.700 -0.141 0.000 2.500 1388 S HA 0.462 4.910 4.470 -0.036 0.000 0.301 1388 S C -0.582 173.942 174.600 -0.125 0.000 1.092 1388 S CA -0.836 57.315 58.200 -0.083 0.000 1.030 1388 S CB 1.612 64.796 63.200 -0.027 0.000 1.031 1388 S HN 0.751 nan 8.310 nan 0.000 0.483 1389 K N 1.793 122.170 120.400 -0.038 0.000 2.382 1389 K HA 0.200 4.498 4.320 -0.036 0.000 0.275 1389 K C -0.198 176.384 176.600 -0.031 0.000 1.009 1389 K CA 0.022 56.283 56.287 -0.042 0.000 0.970 1389 K CB 0.482 32.979 32.500 -0.006 0.000 0.934 1389 K HN 0.486 nan 8.250 nan 0.000 0.479 1390 R N 1.260 121.717 120.500 -0.071 0.000 2.428 1390 R HA 0.157 4.475 4.340 -0.036 0.000 0.294 1390 R C -0.078 176.202 176.300 -0.033 0.000 1.000 1390 R CA -0.523 55.543 56.100 -0.058 0.000 0.960 1390 R CB 1.549 31.745 30.300 -0.174 0.000 1.076 1390 R HN 0.735 nan 8.270 nan 0.000 0.475 1391 T N -1.742 112.799 114.554 -0.022 0.000 2.874 1391 T HA 0.098 4.426 4.350 -0.036 0.000 0.281 1391 T C 0.640 175.341 174.700 0.002 0.000 0.994 1391 T CA -0.842 61.251 62.100 -0.012 0.000 1.015 1391 T CB 0.979 69.835 68.868 -0.020 0.000 1.028 1391 T HN 0.384 nan 8.240 nan 0.000 0.523 1392 D N 1.038 121.450 120.400 0.020 0.000 2.144 1392 D HA -0.034 4.584 4.640 -0.036 0.000 0.199 1392 D C 2.317 178.669 176.300 0.088 0.000 0.984 1392 D CA 1.593 55.623 54.000 0.049 0.000 0.834 1392 D CB -0.745 40.087 40.800 0.053 0.000 0.955 1392 D HN 0.765 nan 8.370 nan 0.000 0.465 1393 A N 0.650 123.518 122.820 0.080 0.000 2.024 1393 A HA -0.225 4.073 4.320 -0.036 0.000 0.220 1393 A C 2.040 179.755 177.584 0.217 0.000 1.164 1393 A CA 1.334 53.453 52.037 0.138 0.000 0.643 1393 A CB -0.474 18.560 19.000 0.058 0.000 0.806 1393 A HN 0.262 nan 8.150 nan 0.000 0.451 1394 Q N -0.593 119.280 119.800 0.121 0.000 2.269 1394 Q HA 0.017 4.335 4.340 -0.036 0.000 0.201 1394 Q C 0.182 176.309 176.000 0.212 0.000 0.946 1394 Q CA 0.533 56.399 55.803 0.106 0.000 0.877 1394 Q CB 0.041 28.665 28.738 -0.191 0.000 0.963 1394 Q HN 0.497 nan 8.270 nan 0.000 0.472 1395 N N 1.761 120.553 118.700 0.154 0.000 2.575 1395 N HA 0.032 4.750 4.740 -0.036 0.000 0.275 1395 N C -0.491 175.128 175.510 0.183 0.000 1.202 1395 N CA 0.210 53.349 53.050 0.148 0.000 0.945 1395 N CB 0.558 39.086 38.487 0.068 0.000 1.247 1395 N HN 0.236 nan 8.380 nan 0.000 0.510 1396 T N -4.365 110.349 114.554 0.267 0.000 2.948 1396 T HA 0.571 4.900 4.350 -0.036 0.000 0.285 1396 T C 1.396 176.194 174.700 0.163 0.000 1.019 1396 T CA -0.722 61.492 62.100 0.189 0.000 1.013 1396 T CB 1.884 70.855 68.868 0.172 0.000 1.117 1396 T HN -0.009 nan 8.240 nan 0.000 0.533 1397 A N 0.343 123.216 122.820 0.088 0.000 2.125 1397 A HA 0.280 4.578 4.320 -0.036 0.000 0.219 1397 A C 2.417 180.007 177.584 0.010 0.000 1.156 1397 A CA 1.381 53.454 52.037 0.060 0.000 0.671 1397 A CB -1.391 17.631 19.000 0.036 0.000 0.794 1397 A HN 1.236 nan 8.150 nan 0.000 0.459 1398 A N -1.787 120.982 122.820 -0.086 0.000 2.172 1398 A HA 0.232 4.531 4.320 -0.036 0.000 0.216 1398 A C 0.248 177.577 177.584 -0.425 0.000 1.154 1398 A CA 0.575 52.433 52.037 -0.298 0.000 0.701 1398 A CB -0.306 18.409 19.000 -0.476 0.000 0.789 1398 A HN 0.467 nan 8.150 nan 0.000 0.465 1399 Y N -0.407 119.979 120.300 0.145 0.000 2.391 1399 Y HA 0.513 5.043 4.550 -0.034 0.000 0.341 1399 Y C 0.332 176.362 175.900 0.217 0.000 0.965 1399 Y CA -1.916 56.293 58.100 0.181 0.000 1.067 1399 Y CB 0.934 39.579 38.460 0.308 0.000 1.199 1399 Y HN 0.262 nan 8.280 nan 0.000 0.450 1400 I N -0.173 120.616 120.570 0.365 0.000 2.882 1400 I HA 0.616 4.764 4.170 -0.036 0.000 0.286 1400 I C 1.031 177.387 176.117 0.399 0.000 1.139 1400 I CA -0.015 61.481 61.300 0.327 0.000 1.379 1400 I CB 0.475 38.662 38.000 0.311 0.000 1.410 1400 I HN 0.842 nan 8.210 nan 0.000 0.594 1401 G N 3.063 112.053 108.800 0.316 0.000 2.248 1401 G HA2 -0.255 3.683 3.960 -0.036 0.000 0.252 1401 G HA3 -0.255 3.683 3.960 -0.036 0.000 0.252 1401 G C -0.215 174.829 174.900 0.239 0.000 1.085 1401 G CA -0.089 45.192 45.100 0.301 0.000 0.845 1401 G HN 0.930 nan 8.290 nan 0.000 0.494 1402 N N 0.225 119.042 118.700 0.195 0.000 2.454 1402 N HA 0.481 5.199 4.740 -0.036 0.000 0.254 1402 N C 0.593 176.140 175.510 0.060 0.000 1.228 1402 N CA 0.970 54.095 53.050 0.125 0.000 0.900 1402 N CB 0.813 39.373 38.487 0.122 0.000 1.089 1402 N HN 0.843 nan 8.380 nan 0.000 0.449 1403 G N 0.202 109.003 108.800 0.003 0.000 2.519 1403 G HA2 -0.035 3.903 3.960 -0.036 0.000 0.292 1403 G HA3 -0.035 3.903 3.960 -0.036 0.000 0.292 1403 G C -0.106 174.759 174.900 -0.058 0.000 1.507 1403 G CA -0.505 44.582 45.100 -0.022 0.000 0.806 1403 G HN 0.471 nan 8.290 nan 0.000 0.523 1404 D N -0.449 119.921 120.400 -0.049 0.000 2.117 1404 D HA -0.003 4.616 4.640 -0.036 0.000 0.198 1404 D C 0.647 176.892 176.300 -0.091 0.000 0.982 1404 D CA 0.979 54.947 54.000 -0.054 0.000 0.828 1404 D CB 0.339 41.117 40.800 -0.038 0.000 0.967 1404 D HN 0.400 nan 8.370 nan 0.000 0.464 1405 R N -1.054 119.374 120.500 -0.120 0.000 2.771 1405 R HA 0.642 4.960 4.340 -0.036 0.000 0.274 1405 R C -1.014 175.130 176.300 -0.259 0.000 0.987 1405 R CA -0.794 55.200 56.100 -0.177 0.000 0.908 1405 R CB 2.269 32.494 30.300 -0.125 0.000 1.213 1405 R HN -0.128 nan 8.270 nan 0.000 0.468 1406 A N 1.883 124.436 122.820 -0.445 0.000 2.260 1406 A HA 0.510 4.808 4.320 -0.036 0.000 0.314 1406 A C -0.835 176.539 177.584 -0.350 0.000 1.257 1406 A CA -0.445 51.245 52.037 -0.578 0.000 0.871 1406 A CB 0.627 18.752 19.000 -1.457 0.000 1.166 1406 A HN 0.686 nan 8.150 nan 0.000 0.522 1407 E N 0.708 120.823 120.200 -0.141 0.000 2.256 1407 E HA 0.657 4.985 4.350 -0.036 0.000 0.267 1407 E C -0.426 176.144 176.600 -0.051 0.000 0.892 1407 E CA -0.559 55.779 56.400 -0.104 0.000 0.775 1407 E CB 2.255 31.962 29.700 0.012 0.000 1.207 1407 E HN 0.685 nan 8.360 nan 0.000 0.420 1408 T N -0.707 113.686 114.554 -0.268 0.000 2.912 1408 T HA 0.648 4.976 4.350 -0.036 0.000 0.299 1408 T C -1.417 173.023 174.700 -0.434 0.000 1.052 1408 T CA -0.720 61.268 62.100 -0.186 0.000 0.996 1408 T CB 0.499 69.299 68.868 -0.115 0.000 1.070 1408 T HN 0.370 nan 8.240 nan 0.000 0.465 1409 Y N 0.777 121.082 120.300 0.009 0.000 2.346 1409 Y HA 0.604 5.134 4.550 -0.033 0.000 0.332 1409 Y C 0.258 176.144 175.900 -0.024 0.000 0.985 1409 Y CA -0.836 57.272 58.100 0.013 0.000 1.112 1409 Y CB 2.755 41.256 38.460 0.068 0.000 1.170 1409 Y HN 0.785 nan 8.280 nan 0.000 0.447 1410 T N 2.149 116.757 114.554 0.091 0.000 2.886 1410 T HA 0.710 5.038 4.350 -0.036 0.000 0.292 1410 T C -0.127 174.619 174.700 0.076 0.000 1.012 1410 T CA -0.926 61.195 62.100 0.035 0.000 0.982 1410 T CB 1.748 70.583 68.868 -0.055 0.000 1.018 1410 T HN 0.853 nan 8.240 nan 0.000 0.451 1411 G N 0.379 109.256 108.800 0.130 0.000 2.482 1411 G HA2 0.747 4.685 3.960 -0.036 0.000 0.317 1411 G HA3 0.747 4.685 3.960 -0.036 0.000 0.317 1411 G C -0.671 174.326 174.900 0.163 0.000 1.241 1411 G CA -0.855 44.334 45.100 0.150 0.000 0.967 1411 G HN 0.947 nan 8.290 nan 0.000 0.482 1412 G N -0.464 108.445 108.800 0.182 0.000 2.696 1412 G HA2 0.650 4.589 3.960 -0.036 0.000 0.295 1412 G HA3 0.650 4.589 3.960 -0.036 0.000 0.295 1412 G C -1.444 173.717 174.900 0.434 0.000 1.398 1412 G CA -0.662 44.611 45.100 0.288 0.000 0.920 1412 G HN 0.664 nan 8.290 nan 0.000 0.492 1413 L N 0.293 121.742 121.223 0.376 0.000 2.409 1413 L HA 0.733 5.051 4.340 -0.036 0.000 0.262 1413 L C -0.407 176.459 176.870 -0.006 0.000 0.992 1413 L CA -0.938 54.030 54.840 0.214 0.000 0.817 1413 L CB 2.925 45.077 42.059 0.156 0.000 1.350 1413 L HN 0.567 nan 8.230 nan 0.000 0.411 1414 K N 1.594 121.840 120.400 -0.256 0.000 2.523 1414 K HA 0.468 4.766 4.320 -0.036 0.000 0.257 1414 K C -2.233 174.148 176.600 -0.365 0.000 0.932 1414 K CA -0.639 55.326 56.287 -0.538 0.000 0.812 1414 K CB 2.748 34.532 32.500 -1.193 0.000 1.326 1414 K HN 0.488 nan 8.250 nan 0.000 0.433 1415 Y N 2.275 122.224 120.300 -0.585 0.000 2.373 1415 Y HA 0.386 4.915 4.550 -0.035 0.000 0.336 1415 Y C -1.639 173.899 175.900 -0.604 0.000 0.979 1415 Y CA -0.656 57.094 58.100 -0.582 0.000 1.080 1415 Y CB 1.808 39.971 38.460 -0.495 0.000 1.190 1415 Y HN 0.658 nan 8.280 nan 0.000 0.446 1416 D N 5.084 124.787 120.400 -1.162 0.000 2.364 1416 D HA 0.651 5.269 4.640 -0.036 0.000 0.251 1416 D C -1.550 174.270 176.300 -0.800 0.000 1.282 1416 D CA 0.174 53.739 54.000 -0.725 0.000 0.927 1416 D CB 0.544 41.120 40.800 -0.373 0.000 1.267 1416 D HN 0.825 nan 8.370 nan 0.000 0.531 1417 A N 2.207 124.520 122.820 -0.846 0.000 2.586 1417 A HA 0.593 4.892 4.320 -0.036 0.000 0.290 1417 A C -0.316 177.121 177.584 -0.246 0.000 1.086 1417 A CA -0.746 50.972 52.037 -0.531 0.000 0.665 1417 A CB 0.670 19.311 19.000 -0.599 0.000 1.279 1417 A HN 0.192 nan 8.150 nan 0.000 0.423 1418 N N 1.375 119.983 118.700 -0.155 0.000 2.721 1418 N HA -0.186 4.532 4.740 -0.036 0.000 0.249 1418 N C 0.145 175.588 175.510 -0.111 0.000 1.072 1418 N CA 1.482 54.489 53.050 -0.072 0.000 0.710 1418 N CB -1.234 37.270 38.487 0.028 0.000 0.993 1418 N HN 0.828 nan 8.380 nan 0.000 0.547 1419 N N -2.343 116.223 118.700 -0.223 0.000 2.753 1419 N HA -0.225 4.493 4.740 -0.036 0.000 0.251 1419 N C -0.568 174.689 175.510 -0.421 0.000 1.097 1419 N CA 1.341 54.142 53.050 -0.414 0.000 0.786 1419 N CB -1.185 36.917 38.487 -0.641 0.000 1.137 1419 N HN 0.640 nan 8.380 nan 0.000 0.566 1420 I N 0.337 120.830 120.570 -0.128 0.000 2.433 1420 I HA 0.306 4.454 4.170 -0.036 0.000 0.292 1420 I C -0.441 175.704 176.117 0.048 0.000 1.001 1420 I CA -0.870 60.462 61.300 0.053 0.000 1.119 1420 I CB 1.587 39.707 38.000 0.201 0.000 1.289 1420 I HN -0.045 nan 8.210 nan 0.000 0.438 1421 Y N 7.087 127.355 120.300 -0.053 0.000 2.331 1421 Y HA 0.693 5.220 4.550 -0.039 0.000 0.334 1421 Y C -1.483 174.408 175.900 -0.015 0.000 0.960 1421 Y CA -0.624 57.425 58.100 -0.084 0.000 1.130 1421 Y CB 1.172 39.559 38.460 -0.123 0.000 1.164 1421 Y HN 0.358 nan 8.280 nan 0.000 0.458 1422 L N 5.825 126.790 121.223 -0.430 0.000 2.386 1422 L HA 0.978 5.296 4.340 -0.036 0.000 0.271 1422 L C -0.871 175.721 176.870 -0.464 0.000 0.993 1422 L CA -1.000 53.682 54.840 -0.263 0.000 0.819 1422 L CB 1.986 43.987 42.059 -0.097 0.000 1.294 1422 L HN 0.750 nan 8.230 nan 0.000 0.414 1423 A N 2.438 125.120 122.820 -0.230 0.000 2.604 1423 A HA 0.969 5.267 4.320 -0.036 0.000 0.295 1423 A C -1.599 175.977 177.584 -0.013 0.000 1.067 1423 A CA -0.278 51.670 52.037 -0.149 0.000 0.683 1423 A CB 2.047 20.971 19.000 -0.127 0.000 1.281 1423 A HN 0.821 nan 8.150 nan 0.000 0.407 1424 A N 0.806 123.648 122.820 0.037 0.000 2.549 1424 A HA 0.820 5.118 4.320 -0.036 0.000 0.297 1424 A C -1.012 176.618 177.584 0.077 0.000 1.061 1424 A CA -0.337 51.699 52.037 -0.002 0.000 0.690 1424 A CB 1.679 20.730 19.000 0.086 0.000 1.287 1424 A HN 1.931 nan 8.150 nan 0.000 0.402 1425 Q N 0.264 120.053 119.800 -0.019 0.000 2.359 1425 Q HA 0.716 5.035 4.340 -0.036 0.000 0.274 1425 Q C -1.707 174.401 176.000 0.181 0.000 1.074 1425 Q CA -0.637 55.223 55.803 0.095 0.000 0.810 1425 Q CB 1.763 30.529 28.738 0.047 0.000 1.342 1425 Q HN 0.921 nan 8.270 nan 0.000 0.427 1426 Y N 0.870 121.263 120.300 0.155 0.000 2.391 1426 Y HA 0.737 5.266 4.550 -0.036 0.000 0.341 1426 Y C -1.415 174.571 175.900 0.143 0.000 0.965 1426 Y CA -0.424 57.809 58.100 0.222 0.000 1.067 1426 Y CB 2.542 41.169 38.460 0.279 0.000 1.199 1426 Y HN 0.844 nan 8.280 nan 0.000 0.450 1427 T N 6.220 120.418 114.554 -0.594 0.000 2.881 1427 T HA 0.303 4.631 4.350 -0.036 0.000 0.290 1427 T C -1.355 172.994 174.700 -0.584 0.000 1.000 1427 T CA -0.675 61.177 62.100 -0.414 0.000 0.978 1427 T CB 1.536 70.307 68.868 -0.162 0.000 0.997 1427 T HN 0.650 nan 8.240 nan 0.000 0.443 1428 Q N 2.036 121.649 119.800 -0.312 0.000 2.322 1428 Q HA 0.642 4.960 4.340 -0.036 0.000 0.265 1428 Q C -0.508 175.433 176.000 -0.099 0.000 0.985 1428 Q CA -0.632 55.046 55.803 -0.209 0.000 0.849 1428 Q CB 1.093 29.806 28.738 -0.041 0.000 1.274 1428 Q HN 0.818 nan 8.270 nan 0.000 0.449 1429 T N 0.029 114.419 114.554 -0.273 0.000 2.907 1429 T HA 0.608 4.936 4.350 -0.036 0.000 0.292 1429 T C -1.164 173.241 174.700 -0.492 0.000 1.043 1429 T CA -0.555 61.428 62.100 -0.195 0.000 1.003 1429 T CB 0.884 69.714 68.868 -0.062 0.000 1.084 1429 T HN 0.430 nan 8.240 nan 0.000 0.483 1430 Y N 1.109 121.435 120.300 0.044 0.000 2.329 1430 Y HA 0.425 4.952 4.550 -0.038 0.000 0.328 1430 Y C 0.559 176.432 175.900 -0.046 0.000 0.992 1430 Y CA -1.086 57.028 58.100 0.025 0.000 1.151 1430 Y CB 1.339 39.823 38.460 0.040 0.000 1.150 1430 Y HN 0.807 nan 8.280 nan 0.000 0.450 1431 N N 1.269 120.027 118.700 0.097 0.000 2.721 1431 N HA -0.246 4.472 4.740 -0.036 0.000 0.249 1431 N C 0.379 175.814 175.510 -0.126 0.000 1.072 1431 N CA 1.077 54.135 53.050 0.012 0.000 0.710 1431 N CB -0.827 37.615 38.487 -0.076 0.000 0.993 1431 N HN 0.806 nan 8.380 nan 0.000 0.547 1432 A N -1.468 121.384 122.820 0.053 0.000 2.140 1432 A HA 0.177 4.475 4.320 -0.036 0.000 0.199 1432 A C 0.792 178.663 177.584 0.479 0.000 1.416 1432 A CA 0.501 52.616 52.037 0.130 0.000 1.018 1432 A CB 0.485 19.473 19.000 -0.020 0.000 1.117 1432 A HN 0.168 nan 8.150 nan 0.000 0.480 1433 T N 2.165 116.940 114.554 0.368 0.000 2.749 1433 T HA 0.396 4.724 4.350 -0.036 0.000 0.295 1433 T C 0.091 174.973 174.700 0.303 0.000 0.936 1433 T CA -0.246 62.038 62.100 0.305 0.000 1.060 1433 T CB 0.609 69.577 68.868 0.167 0.000 0.904 1433 T HN 0.341 nan 8.240 nan 0.000 0.500 1434 R N 1.773 122.364 120.500 0.153 0.000 2.590 1434 R HA 0.313 4.632 4.340 -0.036 0.000 0.274 1434 R C -0.330 175.923 176.300 -0.079 0.000 1.061 1434 R CA -0.289 55.721 56.100 -0.149 0.000 1.081 1434 R CB 0.432 30.587 30.300 -0.243 0.000 0.984 1434 R HN 0.363 nan 8.270 nan 0.000 0.448 1435 V N 3.945 123.781 119.914 -0.130 0.000 2.204 1435 V HA 0.259 4.357 4.120 -0.036 0.000 0.264 1435 V C 1.132 177.120 176.094 -0.176 0.000 1.106 1435 V CA 0.230 62.489 62.300 -0.069 0.000 0.947 1435 V CB -0.105 31.744 31.823 0.044 0.000 1.164 1435 V HN 1.144 nan 8.190 nan 0.000 0.461 1436 G N 4.262 112.952 108.800 -0.182 0.000 2.634 1436 G HA2 -0.366 3.573 3.960 -0.036 0.000 0.309 1436 G HA3 -0.366 3.573 3.960 -0.036 0.000 0.309 1436 G C 1.186 175.960 174.900 -0.210 0.000 1.265 1436 G CA 0.860 45.841 45.100 -0.199 0.000 0.998 1436 G HN 1.279 nan 8.290 nan 0.000 0.551 1437 S N 0.001 115.595 115.700 -0.177 0.000 2.593 1437 S HA 0.336 4.784 4.470 -0.036 0.000 0.217 1437 S C 2.296 176.848 174.600 -0.080 0.000 0.966 1437 S CA 1.072 59.193 58.200 -0.133 0.000 0.914 1437 S CB 0.112 63.256 63.200 -0.093 0.000 0.776 1437 S HN 0.606 nan 8.310 nan 0.000 0.523 1438 L N 0.969 122.133 121.223 -0.098 0.000 2.291 1438 L HA 0.253 4.571 4.340 -0.036 0.000 0.214 1438 L C 1.756 178.682 176.870 0.093 0.000 1.120 1438 L CA 0.755 55.597 54.840 0.003 0.000 0.799 1438 L CB -0.906 41.149 42.059 -0.008 0.000 0.925 1438 L HN 0.709 nan 8.230 nan 0.000 0.446 1439 G N -1.834 106.890 108.800 -0.127 0.000 2.250 1439 G HA2 -0.125 3.813 3.960 -0.036 0.000 0.189 1439 G HA3 -0.125 3.813 3.960 -0.036 0.000 0.189 1439 G C -1.582 173.019 174.900 -0.499 0.000 1.298 1439 G CA -0.653 44.247 45.100 -0.334 0.000 1.246 1439 G HN -0.011 nan 8.290 nan 0.000 0.513 1440 W N 0.548 121.920 121.300 0.121 0.000 2.902 1440 W HA 0.717 5.354 4.660 -0.038 0.000 0.346 1440 W C 0.291 176.881 176.519 0.119 0.000 1.139 1440 W CA -0.350 57.063 57.345 0.113 0.000 1.139 1440 W CB 2.086 31.622 29.460 0.126 0.000 1.439 1440 W HN 1.023 nan 8.180 nan 0.000 0.558 1441 A N 1.894 124.913 122.820 0.333 0.000 2.320 1441 A HA 0.191 4.489 4.320 -0.036 0.000 0.287 1441 A C 0.963 178.660 177.584 0.187 0.000 1.181 1441 A CA -0.292 51.873 52.037 0.213 0.000 0.831 1441 A CB 0.321 19.405 19.000 0.140 0.000 1.102 1441 A HN 0.666 nan 8.150 nan 0.000 0.513 1442 N N 1.076 119.875 118.700 0.165 0.000 2.036 1442 N HA -0.103 4.615 4.740 -0.036 0.000 0.195 1442 N C 0.150 175.729 175.510 0.115 0.000 1.037 1442 N CA 1.464 54.602 53.050 0.148 0.000 0.855 1442 N CB -0.085 38.485 38.487 0.137 0.000 1.033 1442 N HN 0.687 nan 8.380 nan 0.000 0.423 1443 K N -0.686 119.741 120.400 0.044 0.000 2.464 1443 K HA 0.669 4.967 4.320 -0.036 0.000 0.253 1443 K C -1.393 175.155 176.600 -0.087 0.000 0.933 1443 K CA -0.627 55.591 56.287 -0.115 0.000 0.801 1443 K CB 2.863 35.297 32.500 -0.110 0.000 1.271 1443 K HN 0.015 nan 8.250 nan 0.000 0.430 1444 A N 2.142 124.869 122.820 -0.155 0.000 2.475 1444 A HA 0.504 4.802 4.320 -0.036 0.000 0.301 1444 A C -1.520 175.998 177.584 -0.110 0.000 1.059 1444 A CA -0.717 51.276 52.037 -0.074 0.000 0.710 1444 A CB 1.582 20.574 19.000 -0.014 0.000 1.288 1444 A HN 0.661 nan 8.150 nan 0.000 0.408 1445 Q N 1.575 121.354 119.800 -0.035 0.000 2.339 1445 Q HA 0.370 4.688 4.340 -0.036 0.000 0.268 1445 Q C -1.242 174.772 176.000 0.023 0.000 1.027 1445 Q CA -0.758 55.030 55.803 -0.025 0.000 0.759 1445 Q CB 1.735 30.569 28.738 0.159 0.000 1.244 1445 Q HN 0.692 nan 8.270 nan 0.000 0.464 1446 N N 2.223 120.868 118.700 -0.092 0.000 2.399 1446 N HA 0.518 5.236 4.740 -0.036 0.000 0.295 1446 N C -1.480 174.130 175.510 0.167 0.000 1.048 1446 N CA -0.285 52.783 53.050 0.030 0.000 0.886 1446 N CB 1.426 39.918 38.487 0.008 0.000 1.185 1446 N HN 0.448 nan 8.380 nan 0.000 0.487 1447 F N 0.616 120.619 119.950 0.087 0.000 2.561 1447 F HA 0.409 4.915 4.527 -0.035 0.000 0.313 1447 F C -0.972 174.861 175.800 0.055 0.000 1.126 1447 F CA -0.604 57.497 58.000 0.168 0.000 0.918 1447 F CB 1.561 40.720 39.000 0.264 0.000 1.199 1447 F HN 0.355 nan 8.300 nan 0.000 0.444 1448 E N 4.394 124.146 120.200 -0.747 0.000 2.292 1448 E HA 0.769 5.098 4.350 -0.036 0.000 0.272 1448 E C -1.559 174.575 176.600 -0.776 0.000 0.881 1448 E CA -1.333 54.707 56.400 -0.600 0.000 0.754 1448 E CB 2.242 31.798 29.700 -0.239 0.000 1.201 1448 E HN 0.722 nan 8.360 nan 0.000 0.425 1449 A N 1.865 124.418 122.820 -0.443 0.000 2.449 1449 A HA 0.727 5.025 4.320 -0.036 0.000 0.302 1449 A C -1.478 176.097 177.584 -0.014 0.000 1.048 1449 A CA -0.709 51.215 52.037 -0.189 0.000 0.708 1449 A CB 2.032 21.023 19.000 -0.015 0.000 1.274 1449 A HN 0.353 nan 8.150 nan 0.000 0.410 1450 V N 0.861 120.798 119.914 0.037 0.000 2.841 1450 V HA 0.887 4.986 4.120 -0.036 0.000 0.310 1450 V C -0.637 175.521 176.094 0.106 0.000 1.090 1450 V CA 0.136 62.492 62.300 0.094 0.000 0.930 1450 V CB 1.884 33.790 31.823 0.139 0.000 1.014 1450 V HN 2.031 nan 8.190 nan 0.000 0.425 1451 A N 5.644 128.535 122.820 0.118 0.000 2.359 1451 A HA 0.913 5.211 4.320 -0.036 0.000 0.303 1451 A C -0.915 176.752 177.584 0.139 0.000 1.066 1451 A CA -0.599 51.507 52.037 0.115 0.000 0.730 1451 A CB 1.692 20.743 19.000 0.085 0.000 1.211 1451 A HN 0.848 nan 8.150 nan 0.000 0.439 1452 Q N 0.465 120.363 119.800 0.164 0.000 2.389 1452 Q HA 0.534 4.852 4.340 -0.036 0.000 0.277 1452 Q C -2.038 174.049 176.000 0.145 0.000 1.082 1452 Q CA -0.638 55.251 55.803 0.144 0.000 0.810 1452 Q CB 3.023 31.832 28.738 0.118 0.000 1.374 1452 Q HN 0.744 nan 8.270 nan 0.000 0.422 1453 Y N 0.869 121.129 120.300 -0.066 0.000 2.477 1453 Y HA 0.341 4.870 4.550 -0.036 0.000 0.347 1453 Y C -1.276 174.467 175.900 -0.260 0.000 0.981 1453 Y CA -0.696 57.288 58.100 -0.194 0.000 1.033 1453 Y CB 2.235 40.507 38.460 -0.313 0.000 1.245 1453 Y HN 0.553 nan 8.280 nan 0.000 0.455 1454 Q N 4.936 124.233 119.800 -0.838 0.000 2.400 1454 Q HA 0.406 4.724 4.340 -0.036 0.000 0.255 1454 Q C -1.868 173.713 176.000 -0.699 0.000 1.008 1454 Q CA -0.307 55.149 55.803 -0.578 0.000 0.841 1454 Q CB 0.244 28.723 28.738 -0.433 0.000 1.220 1454 Q HN 0.550 nan 8.270 nan 0.000 0.474 1455 F N 2.012 121.800 119.950 -0.271 0.000 2.450 1455 F HA 0.068 4.574 4.527 -0.036 0.000 0.339 1455 F C 1.519 177.153 175.800 -0.277 0.000 1.146 1455 F CA 0.072 57.940 58.000 -0.221 0.000 1.267 1455 F CB 0.670 39.386 39.000 -0.474 0.000 1.178 1455 F HN 0.696 nan 8.300 nan 0.000 0.585 1456 D N 1.484 121.960 120.400 0.127 0.000 2.144 1456 D HA -0.278 4.340 4.640 -0.036 0.000 0.199 1456 D C 1.530 177.895 176.300 0.109 0.000 0.984 1456 D CA 1.466 55.521 54.000 0.092 0.000 0.834 1456 D CB -1.173 39.726 40.800 0.165 0.000 0.955 1456 D HN 0.537 nan 8.370 nan 0.000 0.465 1457 F N -1.340 118.710 119.950 0.165 0.000 2.811 1457 F HA 0.492 4.998 4.527 -0.035 0.000 0.301 1457 F C 1.603 177.501 175.800 0.163 0.000 1.151 1457 F CA 0.143 58.232 58.000 0.149 0.000 1.412 1457 F CB 0.222 39.305 39.000 0.138 0.000 1.113 1457 F HN 0.157 nan 8.300 nan 0.000 0.579 1458 G N 0.604 109.225 108.800 -0.299 0.000 2.229 1458 G HA2 -0.200 3.738 3.960 -0.036 0.000 0.189 1458 G HA3 -0.200 3.738 3.960 -0.036 0.000 0.189 1458 G C -0.398 174.319 174.900 -0.306 0.000 1.000 1458 G CA -0.164 44.732 45.100 -0.340 0.000 0.663 1458 G HN 0.411 nan 8.290 nan 0.000 0.493 1459 L N 1.550 122.580 121.223 -0.321 0.000 2.331 1459 L HA 0.778 5.096 4.340 -0.036 0.000 0.278 1459 L C 0.610 177.552 176.870 0.120 0.000 1.106 1459 L CA -0.416 54.427 54.840 0.006 0.000 0.824 1459 L CB 0.922 42.994 42.059 0.022 0.000 1.142 1459 L HN 0.217 nan 8.230 nan 0.000 0.443 1460 R N 6.715 127.307 120.500 0.153 0.000 2.513 1460 R HA 0.437 4.755 4.340 -0.036 0.000 0.283 1460 R C -2.663 173.729 176.300 0.154 0.000 1.535 1460 R CA -1.653 54.529 56.100 0.136 0.000 1.315 1460 R CB 1.013 31.411 30.300 0.163 0.000 1.163 1460 R HN 0.463 nan 8.270 nan 0.000 0.573 1461 P HA 0.086 nan 4.420 nan 0.000 0.274 1461 P C -0.932 176.456 177.300 0.147 0.000 1.231 1461 P CA -0.212 63.002 63.100 0.189 0.000 0.790 1461 P CB 1.747 33.592 31.700 0.243 0.000 0.951 1462 S N 1.415 117.198 115.700 0.139 0.000 2.548 1462 S HA 0.630 5.078 4.470 -0.036 0.000 0.276 1462 S C -1.609 173.071 174.600 0.134 0.000 1.129 1462 S CA -0.628 57.646 58.200 0.124 0.000 0.931 1462 S CB 0.505 63.767 63.200 0.103 0.000 1.068 1462 S HN 0.339 nan 8.310 nan 0.000 0.480 1463 L N 4.149 125.449 121.223 0.127 0.000 2.410 1463 L HA 0.982 5.300 4.340 -0.036 0.000 0.270 1463 L C -0.651 176.294 176.870 0.124 0.000 0.983 1463 L CA 0.037 54.953 54.840 0.127 0.000 0.822 1463 L CB 1.582 43.709 42.059 0.113 0.000 1.285 1463 L HN 0.924 nan 8.230 nan 0.000 0.409 1464 A N 3.613 126.511 122.820 0.130 0.000 2.587 1464 A HA 0.740 5.038 4.320 -0.036 0.000 0.293 1464 A C -2.299 175.366 177.584 0.134 0.000 1.087 1464 A CA -0.457 51.646 52.037 0.110 0.000 0.692 1464 A CB 1.358 20.404 19.000 0.076 0.000 1.291 1464 A HN 0.706 nan 8.150 nan 0.000 0.407 1465 Y N 0.834 121.103 120.300 -0.052 0.000 2.386 1465 Y HA 0.697 5.226 4.550 -0.036 0.000 0.334 1465 Y C -1.922 173.876 175.900 -0.170 0.000 1.002 1465 Y CA -1.055 56.996 58.100 -0.082 0.000 1.068 1465 Y CB 1.512 40.001 38.460 0.048 0.000 1.203 1465 Y HN 0.596 nan 8.280 nan 0.000 0.443 1466 L N 5.844 126.451 121.223 -1.026 0.000 2.381 1466 L HA 0.643 4.961 4.340 -0.036 0.000 0.268 1466 L C -1.216 175.110 176.870 -0.908 0.000 0.997 1466 L CA -0.573 53.756 54.840 -0.852 0.000 0.818 1466 L CB 2.337 43.908 42.059 -0.813 0.000 1.310 1466 L HN 0.724 nan 8.230 nan 0.000 0.416 1467 Q N 0.526 120.062 119.800 -0.441 0.000 2.391 1467 Q HA 0.787 5.105 4.340 -0.036 0.000 0.279 1467 Q C -1.303 174.685 176.000 -0.020 0.000 1.028 1467 Q CA -0.812 54.870 55.803 -0.200 0.000 0.836 1467 Q CB 2.203 30.899 28.738 -0.069 0.000 1.414 1467 Q HN 0.402 nan 8.270 nan 0.000 0.397 1468 S N 1.251 116.957 115.700 0.010 0.000 2.707 1468 S HA 0.448 4.896 4.470 -0.036 0.000 0.303 1468 S C -1.417 173.215 174.600 0.053 0.000 1.132 1468 S CA -0.677 57.549 58.200 0.043 0.000 1.046 1468 S CB 0.704 63.927 63.200 0.038 0.000 1.004 1468 S HN 0.506 nan 8.310 nan 0.000 0.483 1469 K N 3.276 123.710 120.400 0.058 0.000 2.339 1469 K HA 0.464 4.762 4.320 -0.036 0.000 0.264 1469 K C 0.290 176.903 176.600 0.021 0.000 0.986 1469 K CA -0.664 55.648 56.287 0.041 0.000 0.866 1469 K CB 1.656 34.190 32.500 0.056 0.000 1.103 1469 K HN 0.664 nan 8.250 nan 0.000 0.441 1470 G N 2.810 111.610 108.800 -0.000 0.000 2.400 1470 G HA2 0.385 4.323 3.960 -0.036 0.000 0.301 1470 G HA3 0.385 4.323 3.960 -0.036 0.000 0.301 1470 G C -0.687 174.200 174.900 -0.021 0.000 1.154 1470 G CA -0.565 44.533 45.100 -0.004 0.000 0.852 1470 G HN 0.466 nan 8.290 nan 0.000 0.511 1471 K N 0.897 121.299 120.400 0.003 0.000 2.464 1471 K HA 0.360 4.659 4.320 -0.036 0.000 0.253 1471 K C -0.377 176.246 176.600 0.038 0.000 0.933 1471 K CA -1.216 55.078 56.287 0.012 0.000 0.801 1471 K CB 1.844 34.355 32.500 0.019 0.000 1.271 1471 K HN 0.428 nan 8.250 nan 0.000 0.430 1472 N N 1.257 119.981 118.700 0.041 0.000 2.727 1472 N HA -0.172 4.547 4.740 -0.036 0.000 0.249 1472 N C -0.027 175.537 175.510 0.089 0.000 1.048 1472 N CA 0.168 53.255 53.050 0.061 0.000 0.714 1472 N CB -0.742 37.785 38.487 0.067 0.000 0.959 1472 N HN 0.636 nan 8.380 nan 0.000 0.544 1473 L N -0.399 120.885 121.223 0.101 0.000 2.201 1473 L HA 0.222 4.540 4.340 -0.036 0.000 0.212 1473 L C 1.907 178.905 176.870 0.213 0.000 1.105 1473 L CA 1.782 56.721 54.840 0.166 0.000 0.775 1473 L CB -1.162 41.004 42.059 0.178 0.000 0.913 1473 L HN 0.682 nan 8.230 nan 0.000 0.440 1474 G N -1.066 107.830 108.800 0.160 0.000 2.707 1474 G HA2 -0.222 3.716 3.960 -0.036 0.000 0.686 1474 G HA3 -0.222 3.716 3.960 -0.036 0.000 0.686 1474 G C 0.224 175.159 174.900 0.057 0.000 1.315 1474 G CA -0.369 44.801 45.100 0.116 0.000 0.832 1474 G HN 0.216 nan 8.290 nan 0.000 0.573 1475 R N -1.015 119.457 120.500 -0.046 0.000 3.758 1475 R HA -0.174 4.144 4.340 -0.036 0.000 0.299 1475 R C 1.774 177.846 176.300 -0.380 0.000 1.182 1475 R CA 2.110 58.075 56.100 -0.225 0.000 0.809 1475 R CB -1.713 28.399 30.300 -0.313 0.000 1.249 1475 R HN 2.801 nan 8.270 nan 0.000 0.497 1476 G N -1.457 107.227 108.800 -0.194 0.000 2.179 1476 G HA2 -0.403 3.535 3.960 -0.036 0.000 0.260 1476 G HA3 -0.403 3.535 3.960 -0.036 0.000 0.260 1476 G C 0.468 175.312 174.900 -0.093 0.000 0.977 1476 G CA 0.595 45.610 45.100 -0.143 0.000 0.641 1476 G HN 0.370 nan 8.290 nan 0.000 0.533 1477 Y N 0.802 121.116 120.300 0.025 0.000 2.293 1477 Y HA 0.119 4.647 4.550 -0.036 0.000 0.291 1477 Y C 2.090 177.930 175.900 -0.098 0.000 1.137 1477 Y CA 0.528 58.611 58.100 -0.028 0.000 1.202 1477 Y CB -0.218 38.241 38.460 -0.001 0.000 0.990 1477 Y HN 0.400 nan 8.280 nan 0.000 0.537 1478 D N -0.809 119.643 120.400 0.087 0.000 3.685 1478 D HA -0.264 4.354 4.640 -0.036 0.000 0.152 1478 D C -0.600 175.688 176.300 -0.021 0.000 0.966 1478 D CA 1.626 55.641 54.000 0.026 0.000 1.085 1478 D CB -1.093 39.713 40.800 0.011 0.000 0.521 1478 D HN 0.165 nan 8.370 nan 0.000 0.543 1479 D N 2.165 122.538 120.400 -0.045 0.000 2.249 1479 D HA 0.522 5.140 4.640 -0.036 0.000 0.246 1479 D C -0.091 176.116 176.300 -0.155 0.000 1.114 1479 D CA 0.232 54.187 54.000 -0.076 0.000 0.854 1479 D CB 0.793 41.571 40.800 -0.036 0.000 1.132 1479 D HN 0.091 nan 8.370 nan 0.000 0.461 1480 E N 1.303 121.356 120.200 -0.245 0.000 2.356 1480 E HA 0.221 4.549 4.350 -0.036 0.000 0.275 1480 E C -1.119 175.360 176.600 -0.202 0.000 0.904 1480 E CA -0.805 55.369 56.400 -0.376 0.000 0.757 1480 E CB 1.883 30.926 29.700 -1.096 0.000 1.232 1480 E HN 0.247 nan 8.360 nan 0.000 0.442 1481 D N 2.151 122.506 120.400 -0.075 0.000 2.371 1481 D HA 0.144 4.762 4.640 -0.036 0.000 0.256 1481 D C 1.191 177.580 176.300 0.147 0.000 1.193 1481 D CA 0.132 54.155 54.000 0.038 0.000 0.881 1481 D CB 0.913 41.752 40.800 0.065 0.000 1.143 1481 D HN 0.378 nan 8.370 nan 0.000 0.473 1482 I N 1.454 122.108 120.570 0.141 0.000 2.703 1482 I HA 0.017 4.165 4.170 -0.036 0.000 0.259 1482 I C 0.513 176.694 176.117 0.107 0.000 1.151 1482 I CA 0.401 61.814 61.300 0.188 0.000 1.470 1482 I CB 0.225 38.308 38.000 0.138 0.000 1.112 1482 I HN 0.173 nan 8.210 nan 0.000 0.437 1483 L N 0.371 121.639 121.223 0.076 0.000 2.505 1483 L HA 0.481 4.799 4.340 -0.036 0.000 0.259 1483 L C -1.146 175.741 176.870 0.028 0.000 0.952 1483 L CA -0.336 54.541 54.840 0.061 0.000 0.840 1483 L CB 1.835 43.920 42.059 0.043 0.000 1.358 1483 L HN -0.091 nan 8.230 nan 0.000 0.409 1484 K N 4.053 124.484 120.400 0.052 0.000 2.670 1484 K HA 0.468 4.766 4.320 -0.036 0.000 0.274 1484 K C -2.266 174.383 176.600 0.080 0.000 1.068 1484 K CA -0.534 55.745 56.287 -0.013 0.000 0.967 1484 K CB 1.047 33.587 32.500 0.066 0.000 1.297 1484 K HN 0.637 nan 8.250 nan 0.000 0.477 1485 Y N -0.479 119.719 120.300 -0.170 0.000 2.592 1485 Y HA 0.621 5.149 4.550 -0.037 0.000 0.334 1485 Y C -1.759 174.124 175.900 -0.028 0.000 1.136 1485 Y CA -1.219 56.823 58.100 -0.097 0.000 1.042 1485 Y CB 1.117 39.482 38.460 -0.157 0.000 1.325 1485 Y HN -0.034 nan 8.280 nan 0.000 0.457 1486 V N 2.290 122.342 119.914 0.230 0.000 2.427 1486 V HA 0.341 4.439 4.120 -0.036 0.000 0.286 1486 V C -1.086 175.126 176.094 0.196 0.000 1.034 1486 V CA -0.340 62.084 62.300 0.207 0.000 0.893 1486 V CB 1.472 33.396 31.823 0.169 0.000 0.982 1486 V HN 0.851 nan 8.190 nan 0.000 0.452 1487 D N 2.930 123.452 120.400 0.204 0.000 2.408 1487 D HA 0.531 5.149 4.640 -0.036 0.000 0.243 1487 D C -1.158 175.254 176.300 0.186 0.000 1.075 1487 D CA -0.195 53.943 54.000 0.229 0.000 0.832 1487 D CB 1.942 42.946 40.800 0.338 0.000 1.162 1487 D HN 0.395 nan 8.370 nan 0.000 0.515 1488 V N 3.748 123.776 119.914 0.190 0.000 2.448 1488 V HA 0.974 5.072 4.120 -0.036 0.000 0.295 1488 V C -0.022 176.221 176.094 0.248 0.000 1.025 1488 V CA 0.127 62.552 62.300 0.208 0.000 0.859 1488 V CB 0.968 32.919 31.823 0.212 0.000 0.988 1488 V HN 0.657 nan 8.190 nan 0.000 0.431 1489 G N 4.161 113.085 108.800 0.206 0.000 2.663 1489 G HA2 0.935 4.874 3.960 -0.036 0.000 0.299 1489 G HA3 0.935 4.874 3.960 -0.036 0.000 0.299 1489 G C -1.282 173.717 174.900 0.165 0.000 1.372 1489 G CA -0.208 45.011 45.100 0.198 0.000 0.781 1489 G HN 1.620 nan 8.290 nan 0.000 0.491 1490 A N -0.799 122.115 122.820 0.158 0.000 2.589 1490 A HA 0.835 5.133 4.320 -0.036 0.000 0.296 1490 A C -0.678 176.980 177.584 0.123 0.000 1.062 1490 A CA -0.408 51.714 52.037 0.141 0.000 0.686 1490 A CB 1.589 20.683 19.000 0.157 0.000 1.282 1490 A HN 1.021 nan 8.150 nan 0.000 0.404 1491 T N 1.307 115.893 114.554 0.054 0.000 2.829 1491 T HA 0.552 4.880 4.350 -0.036 0.000 0.280 1491 T C -1.388 173.228 174.700 -0.140 0.000 0.999 1491 T CA -0.064 61.988 62.100 -0.081 0.000 0.983 1491 T CB 0.989 69.673 68.868 -0.306 0.000 0.968 1491 T HN 0.553 nan 8.240 nan 0.000 0.446 1492 Y N 2.780 122.891 120.300 -0.316 0.000 2.328 1492 Y HA 0.501 5.029 4.550 -0.035 0.000 0.337 1492 Y C -1.417 174.148 175.900 -0.557 0.000 0.966 1492 Y CA -1.395 56.483 58.100 -0.370 0.000 1.136 1492 Y CB 0.558 38.806 38.460 -0.353 0.000 1.170 1492 Y HN 0.600 nan 8.280 nan 0.000 0.470 1493 Y N 7.155 126.943 120.300 -0.852 0.000 2.383 1493 Y HA 0.199 4.727 4.550 -0.037 0.000 0.344 1493 Y C 0.265 175.667 175.900 -0.830 0.000 0.986 1493 Y CA -0.337 57.412 58.100 -0.585 0.000 1.175 1493 Y CB 0.332 38.582 38.460 -0.350 0.000 1.152 1493 Y HN 0.679 nan 8.280 nan 0.000 0.511 1494 F N 1.132 120.996 119.950 -0.142 0.000 2.128 1494 F HA -0.102 4.403 4.527 -0.037 0.000 0.295 1494 F C 0.851 176.666 175.800 0.025 0.000 1.100 1494 F CA 0.878 58.886 58.000 0.013 0.000 1.260 1494 F CB -0.090 39.002 39.000 0.152 0.000 1.009 1494 F HN 0.562 nan 8.300 nan 0.000 0.476 1495 N N -1.789 117.054 118.700 0.238 0.000 3.526 1495 N HA 0.138 4.856 4.740 -0.036 0.000 0.328 1495 N C -0.285 175.292 175.510 0.110 0.000 1.601 1495 N CA -0.803 52.324 53.050 0.129 0.000 0.834 1495 N CB 0.294 38.856 38.487 0.125 0.000 1.983 1495 N HN -0.228 nan 8.380 nan 0.000 0.579 1496 K N -0.736 119.691 120.400 0.045 0.000 2.504 1496 K HA 0.126 4.424 4.320 -0.036 0.000 0.195 1496 K C 0.043 176.657 176.600 0.023 0.000 1.036 1496 K CA 1.034 57.327 56.287 0.010 0.000 0.984 1496 K CB -0.408 32.074 32.500 -0.030 0.000 0.788 1496 K HN 0.433 nan 8.250 nan 0.000 0.488 1497 N N -0.650 118.078 118.700 0.047 0.000 2.210 1497 N HA 0.096 4.814 4.740 -0.036 0.000 0.203 1497 N C -0.582 174.931 175.510 0.005 0.000 1.175 1497 N CA -0.053 52.976 53.050 -0.036 0.000 0.894 1497 N CB 0.636 39.107 38.487 -0.027 0.000 1.041 1497 N HN -0.050 nan 8.380 nan 0.000 0.506 1498 M N 0.823 120.522 119.600 0.164 0.000 2.326 1498 M HA 0.461 4.919 4.480 -0.036 0.000 0.292 1498 M C -1.624 174.920 176.300 0.406 0.000 1.081 1498 M CA -0.528 54.926 55.300 0.257 0.000 0.919 1498 M CB 1.815 34.552 32.600 0.229 0.000 1.634 1498 M HN 0.059 nan 8.290 nan 0.000 0.451 1499 S N 1.695 117.607 115.700 0.352 0.000 2.596 1499 S HA 0.913 5.361 4.470 -0.036 0.000 0.270 1499 S C -1.014 173.747 174.600 0.269 0.000 1.155 1499 S CA -0.715 57.637 58.200 0.254 0.000 0.827 1499 S CB 2.045 65.197 63.200 -0.079 0.000 1.130 1499 S HN 0.815 nan 8.310 nan 0.000 0.467 1500 T N 0.902 115.568 114.554 0.186 0.000 2.909 1500 T HA 0.769 5.098 4.350 -0.036 0.000 0.299 1500 T C -1.929 172.826 174.700 0.092 0.000 1.073 1500 T CA -0.586 61.591 62.100 0.128 0.000 0.999 1500 T CB 1.087 70.104 68.868 0.248 0.000 1.098 1500 T HN 1.148 nan 8.240 nan 0.000 0.477 1501 Y N 0.668 120.987 120.300 0.032 0.000 2.597 1501 Y HA 0.824 5.352 4.550 -0.036 0.000 0.340 1501 Y C -1.631 174.303 175.900 0.056 0.000 1.097 1501 Y CA -1.344 56.765 58.100 0.014 0.000 1.037 1501 Y CB 1.129 39.574 38.460 -0.024 0.000 1.305 1501 Y HN 0.493 nan 8.280 nan 0.000 0.463 1502 V N 2.059 122.148 119.914 0.292 0.000 2.588 1502 V HA 0.614 4.712 4.120 -0.036 0.000 0.304 1502 V C -1.812 174.463 176.094 0.301 0.000 1.042 1502 V CA -0.218 62.233 62.300 0.252 0.000 0.877 1502 V CB 1.683 33.595 31.823 0.149 0.000 0.996 1502 V HN 0.914 nan 8.190 nan 0.000 0.425 1503 D N 4.477 125.068 120.400 0.319 0.000 2.757 1503 D HA 0.336 4.954 4.640 -0.036 0.000 0.249 1503 D C -1.937 174.654 176.300 0.486 0.000 1.168 1503 D CA -0.132 54.064 54.000 0.327 0.000 0.870 1503 D CB 1.807 42.709 40.800 0.170 0.000 1.411 1503 D HN 0.527 nan 8.370 nan 0.000 0.525 1504 Y N 3.241 123.707 120.300 0.275 0.000 2.388 1504 Y HA 0.313 4.841 4.550 -0.037 0.000 0.328 1504 Y C -0.581 175.389 175.900 0.117 0.000 0.963 1504 Y CA -1.048 57.166 58.100 0.190 0.000 1.240 1504 Y CB 0.884 39.420 38.460 0.127 0.000 1.118 1504 Y HN 0.189 nan 8.280 nan 0.000 0.484 1505 K N 8.169 128.484 120.400 -0.143 0.000 2.250 1505 K HA 0.360 4.658 4.320 -0.036 0.000 0.280 1505 K C -0.993 175.279 176.600 -0.548 0.000 1.098 1505 K CA -0.303 55.678 56.287 -0.509 0.000 0.916 1505 K CB -0.010 31.779 32.500 -1.185 0.000 1.209 1505 K HN 0.768 nan 8.250 nan 0.000 0.461 1506 I N 4.245 124.523 120.570 -0.487 0.000 2.294 1506 I HA 0.030 4.178 4.170 -0.036 0.000 0.295 1506 I C 0.290 176.318 176.117 -0.149 0.000 1.098 1506 I CA -0.495 60.556 61.300 -0.415 0.000 1.277 1506 I CB 0.297 38.074 38.000 -0.372 0.000 1.434 1506 I HN 0.430 nan 8.210 nan 0.000 0.498 1507 N N 7.016 125.626 118.700 -0.150 0.000 2.406 1507 N HA 0.218 4.936 4.740 -0.036 0.000 0.251 1507 N C 0.537 176.045 175.510 -0.003 0.000 1.069 1507 N CA -0.072 52.934 53.050 -0.073 0.000 0.947 1507 N CB 1.147 39.549 38.487 -0.141 0.000 1.111 1507 N HN 0.579 nan 8.380 nan 0.000 0.497 1508 L N 2.982 124.239 121.223 0.057 0.000 2.558 1508 L HA 0.168 4.486 4.340 -0.036 0.000 0.225 1508 L C 0.775 177.682 176.870 0.062 0.000 1.128 1508 L CA 0.105 54.986 54.840 0.068 0.000 0.868 1508 L CB -0.068 42.061 42.059 0.116 0.000 1.006 1508 L HN 0.361 nan 8.230 nan 0.000 0.454 1509 L N 0.861 122.117 121.223 0.055 0.000 2.453 1509 L HA 0.049 4.367 4.340 -0.036 0.000 0.272 1509 L C -0.112 176.783 176.870 0.040 0.000 1.182 1509 L CA 0.244 55.116 54.840 0.054 0.000 0.858 1509 L CB 0.272 42.360 42.059 0.048 0.000 1.120 1509 L HN 0.064 nan 8.230 nan 0.000 0.474 1510 D N 1.284 121.714 120.400 0.050 0.000 2.181 1510 D HA 0.096 4.714 4.640 -0.036 0.000 0.248 1510 D C -0.545 175.782 176.300 0.046 0.000 1.020 1510 D CA -0.396 53.630 54.000 0.043 0.000 0.891 1510 D CB 1.746 42.574 40.800 0.046 0.000 1.187 1510 D HN 0.391 nan 8.370 nan 0.000 0.443 1511 D N 1.247 121.667 120.400 0.033 0.000 2.363 1511 D HA 0.054 4.672 4.640 -0.036 0.000 0.263 1511 D C -0.492 175.834 176.300 0.044 0.000 1.258 1511 D CA 0.057 54.074 54.000 0.028 0.000 0.907 1511 D CB -0.128 40.683 40.800 0.018 0.000 1.107 1511 D HN 0.346 nan 8.370 nan 0.000 0.495 1512 N N 1.608 120.344 118.700 0.060 0.000 2.831 1512 N HA 0.167 4.885 4.740 -0.036 0.000 0.276 1512 N C 0.533 176.097 175.510 0.091 0.000 1.416 1512 N CA -0.730 52.371 53.050 0.084 0.000 0.799 1512 N CB 0.533 39.090 38.487 0.117 0.000 1.554 1512 N HN 0.065 nan 8.380 nan 0.000 0.541 1513 Q N -0.392 119.481 119.800 0.122 0.000 2.077 1513 Q HA -0.063 4.255 4.340 -0.036 0.000 0.206 1513 Q C 1.429 177.525 176.000 0.161 0.000 0.989 1513 Q CA 1.898 57.783 55.803 0.137 0.000 0.853 1513 Q CB -0.600 28.239 28.738 0.168 0.000 0.907 1513 Q HN 0.656 nan 8.270 nan 0.000 0.418 1514 F N 0.555 120.541 119.950 0.059 0.000 2.069 1514 F HA -0.227 4.277 4.527 -0.037 0.000 0.298 1514 F C 2.227 177.947 175.800 -0.133 0.000 1.113 1514 F CA 2.539 60.489 58.000 -0.082 0.000 1.214 1514 F CB -1.098 37.829 39.000 -0.121 0.000 0.978 1514 F HN 0.284 nan 8.300 nan 0.000 0.474 1515 T N -1.361 113.041 114.554 -0.254 0.000 2.788 1515 T HA -0.160 4.168 4.350 -0.036 0.000 0.268 1515 T C 2.144 176.690 174.700 -0.256 0.000 1.044 1515 T CA 1.348 63.236 62.100 -0.353 0.000 1.139 1515 T CB -0.621 68.188 68.868 -0.099 0.000 0.867 1515 T HN 0.359 nan 8.240 nan 0.000 0.454 1516 R N 1.144 121.564 120.500 -0.133 0.000 2.073 1516 R HA -0.079 4.239 4.340 -0.036 0.000 0.234 1516 R C 2.356 178.588 176.300 -0.114 0.000 1.134 1516 R CA 1.885 57.931 56.100 -0.090 0.000 0.952 1516 R CB -0.388 29.897 30.300 -0.026 0.000 0.850 1516 R HN 0.447 nan 8.270 nan 0.000 0.433 1517 D N 0.245 120.575 120.400 -0.117 0.000 2.123 1517 D HA -0.142 4.476 4.640 -0.036 0.000 0.196 1517 D C 1.590 177.778 176.300 -0.185 0.000 0.992 1517 D CA 1.594 55.538 54.000 -0.093 0.000 0.833 1517 D CB -0.188 40.622 40.800 0.017 0.000 0.954 1517 D HN 0.285 nan 8.370 nan 0.000 0.455 1518 A N -0.233 122.367 122.820 -0.367 0.000 2.123 1518 A HA 0.366 4.664 4.320 -0.036 0.000 0.214 1518 A C 1.725 179.152 177.584 -0.262 0.000 1.152 1518 A CA 1.123 52.932 52.037 -0.379 0.000 0.728 1518 A CB -0.261 18.343 19.000 -0.659 0.000 0.814 1518 A HN 0.271 nan 8.150 nan 0.000 0.464 1519 G N -0.549 108.118 108.800 -0.220 0.000 2.225 1519 G HA2 -0.218 3.720 3.960 -0.036 0.000 0.264 1519 G HA3 -0.218 3.720 3.960 -0.036 0.000 0.264 1519 G C -0.047 174.760 174.900 -0.156 0.000 1.060 1519 G CA 0.313 45.320 45.100 -0.155 0.000 0.833 1519 G HN 0.471 nan 8.290 nan 0.000 0.498 1520 I N 0.372 120.828 120.570 -0.191 0.000 2.365 1520 I HA 0.167 4.315 4.170 -0.036 0.000 0.291 1520 I C 0.738 176.790 176.117 -0.109 0.000 1.004 1520 I CA -0.886 60.321 61.300 -0.155 0.000 1.311 1520 I CB 1.046 38.938 38.000 -0.181 0.000 1.401 1520 I HN 0.222 nan 8.210 nan 0.000 0.491 1521 N N 3.795 122.439 118.700 -0.093 0.000 2.468 1521 N HA -0.000 4.718 4.740 -0.036 0.000 0.265 1521 N C 0.725 176.187 175.510 -0.080 0.000 1.199 1521 N CA 0.286 53.286 53.050 -0.083 0.000 0.928 1521 N CB 0.730 39.161 38.487 -0.093 0.000 1.059 1521 N HN 0.712 nan 8.380 nan 0.000 0.467 1522 T N -1.423 113.095 114.554 -0.061 0.000 3.040 1522 T HA 0.224 4.552 4.350 -0.036 0.000 0.266 1522 T C -0.128 174.543 174.700 -0.048 0.000 1.005 1522 T CA -0.406 61.667 62.100 -0.044 0.000 0.906 1522 T CB 0.001 68.858 68.868 -0.017 0.000 1.082 1522 T HN 0.315 nan 8.240 nan 0.000 0.531 1523 D N 2.601 122.965 120.400 -0.059 0.000 2.294 1523 D HA 0.330 4.949 4.640 -0.036 0.000 0.250 1523 D C -0.207 176.038 176.300 -0.091 0.000 1.058 1523 D CA -0.459 53.513 54.000 -0.045 0.000 0.950 1523 D CB 0.956 41.745 40.800 -0.017 0.000 1.158 1523 D HN 0.169 nan 8.370 nan 0.000 0.453 1524 N N 0.406 119.071 118.700 -0.058 0.000 2.444 1524 N HA 0.326 5.044 4.740 -0.036 0.000 0.255 1524 N C -0.169 175.311 175.510 -0.050 0.000 1.255 1524 N CA 0.111 53.108 53.050 -0.088 0.000 0.933 1524 N CB 0.922 39.423 38.487 0.022 0.000 1.143 1524 N HN 0.313 nan 8.380 nan 0.000 0.453 1525 I N 0.071 120.580 120.570 -0.102 0.000 2.619 1525 I HA 0.272 4.420 4.170 -0.036 0.000 0.292 1525 I C -0.807 175.438 176.117 0.213 0.000 1.100 1525 I CA -1.000 60.296 61.300 -0.006 0.000 1.043 1525 I CB 2.210 40.080 38.000 -0.217 0.000 1.239 1525 I HN -0.045 nan 8.210 nan 0.000 0.420 1526 V N 4.480 124.589 119.914 0.325 0.000 2.398 1526 V HA 0.727 4.826 4.120 -0.036 0.000 0.286 1526 V C 0.197 176.527 176.094 0.393 0.000 1.026 1526 V CA -0.409 62.122 62.300 0.384 0.000 0.868 1526 V CB 1.543 33.512 31.823 0.245 0.000 0.982 1526 V HN 0.839 nan 8.190 nan 0.000 0.443 1527 A N 6.023 129.034 122.820 0.319 0.000 2.330 1527 A HA 0.913 5.211 4.320 -0.036 0.000 0.327 1527 A C -0.993 176.756 177.584 0.274 0.000 1.155 1527 A CA -0.546 51.630 52.037 0.232 0.000 0.803 1527 A CB 1.008 19.975 19.000 -0.055 0.000 1.208 1527 A HN 0.792 nan 8.150 nan 0.000 0.477 1528 L N 2.096 123.472 121.223 0.256 0.000 2.381 1528 L HA 0.696 5.014 4.340 -0.036 0.000 0.274 1528 L C 0.302 177.105 176.870 -0.113 0.000 0.988 1528 L CA -0.365 54.534 54.840 0.098 0.000 0.824 1528 L CB 2.355 44.550 42.059 0.226 0.000 1.263 1528 L HN 0.892 nan 8.230 nan 0.000 0.410 1529 G N 3.023 111.489 108.800 -0.557 0.000 2.571 1529 G HA2 0.679 4.618 3.960 -0.036 0.000 0.304 1529 G HA3 0.679 4.618 3.960 -0.036 0.000 0.304 1529 G C -2.218 172.370 174.900 -0.520 0.000 1.314 1529 G CA -0.441 44.209 45.100 -0.750 0.000 0.975 1529 G HN 0.310 nan 8.290 nan 0.000 0.485 1530 L N 1.811 122.890 121.223 -0.240 0.000 2.406 1530 L HA 0.741 5.059 4.340 -0.036 0.000 0.272 1530 L C -1.098 175.761 176.870 -0.018 0.000 0.980 1530 L CA -0.728 54.070 54.840 -0.071 0.000 0.831 1530 L CB 2.141 44.188 42.059 -0.020 0.000 1.253 1530 L HN 0.348 nan 8.230 nan 0.000 0.406 1531 V N 5.269 125.219 119.914 0.060 0.000 2.483 1531 V HA 0.379 4.477 4.120 -0.036 0.000 0.297 1531 V C -1.117 175.064 176.094 0.145 0.000 1.027 1531 V CA -0.679 61.670 62.300 0.083 0.000 0.855 1531 V CB 1.442 33.332 31.823 0.112 0.000 0.995 1531 V HN 0.662 nan 8.190 nan 0.000 0.424 1532 Y N 5.283 125.605 120.300 0.036 0.000 2.342 1532 Y HA 0.703 5.232 4.550 -0.035 0.000 0.334 1532 Y C 0.031 175.985 175.900 0.089 0.000 1.067 1532 Y CA -0.352 57.790 58.100 0.070 0.000 1.128 1532 Y CB 1.487 39.985 38.460 0.063 0.000 1.200 1532 Y HN 0.760 nan 8.280 nan 0.000 0.464 1533 Q N 5.868 125.242 119.800 -0.710 0.000 2.416 1533 Q HA 0.611 4.929 4.340 -0.036 0.000 0.281 1533 Q C -1.855 173.831 176.000 -0.524 0.000 1.067 1533 Q CA -0.931 54.574 55.803 -0.496 0.000 0.809 1533 Q CB 2.778 31.380 28.738 -0.227 0.000 1.418 1533 Q HN 0.658 nan 8.270 nan 0.000 0.411 1534 F N 0.000 119.784 119.950 -0.277 0.000 2.286 1534 F HA 0.000 4.506 4.527 -0.034 0.000 0.279 1534 F CA 0.000 57.933 58.000 -0.111 0.000 1.383 1534 F CB 0.000 39.004 39.000 0.006 0.000 1.145 1534 F HN 0.000 nan 8.300 nan 0.000 0.574