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 1lar_1_A DATA FIRST_RESID 1307 DATA SEQUENCE MITDLADNIE RLKANDGLKF SQEYESIDPG QQFTWENSNL EVNKPKNRYA DATA SEQUENCE NVIAYDHSRV ILTSIDGVPG SDYINANYID GYRKQNAYIA TQGPLPETMG DATA SEQUENCE DFWRMVWEQR TATVVMMTRL EEKSRVKCDQ YWPARGTETC GLIQVTLLDT DATA SEQUENCE VELATYTVRT FALHKSGSSE KRELRQFQFM AWPDHGVPEY PTPILAFLRR DATA SEQUENCE VKACNPLDAG PMVVHCSAGV GRTGCFIVID AMLERMKHEK TVDIYGHVTC DATA SEQUENCE MRSQRNYMVQ TEDQYVFIHE ALLEAATCGH TEVPARNLYA HIQKLGQVPP DATA SEQUENCE GESVTAMELE FKLLASSXXX XSRFISANLP CNKFKNRLVN IMPYELTRVC DATA SEQUENCE LQPIRGVEGS DYINASFLDG YRQQKAYIAT QGPLAESTED FWRMLWEHNS DATA SEQUENCE TIIVMLTKLR EMGREKCHQY WPAERSARYQ YFVVDPMAEY NMPQYILREF DATA SEQUENCE KVTDARDGQS RTIRQFQFTD WPEQGVPKTG EGFIDFIGQV HKTKEQFGQD DATA SEQUENCE GPITVHCSAG VGRTGVFITL SIVLERMRYE GVVDMFQTVK TLRTQRPAMV DATA SEQUENCE QTEDQYQLCY RAALEYLGSF 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 1307 M HA 0.000 nan 4.480 nan 0.000 0.227 1307 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1307 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 1307 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 1308 I N 1.620 122.180 120.570 -0.018 0.000 2.142 1308 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 1308 I C 2.228 178.339 176.117 -0.010 0.000 1.078 1308 I CA 2.713 64.004 61.300 -0.015 0.000 1.343 1308 I CB -0.417 37.574 38.000 -0.015 0.000 1.046 1308 I HN 0.540 nan 8.210 nan 0.000 0.405 1309 T N 0.022 114.571 114.554 -0.009 0.000 2.746 1309 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 1309 T C 1.434 176.130 174.700 -0.008 0.000 1.039 1309 T CA 2.207 64.303 62.100 -0.007 0.000 1.142 1309 T CB -0.635 68.229 68.868 -0.007 0.000 0.866 1309 T HN 0.579 nan 8.240 nan 0.000 0.444 1310 D N 1.222 121.617 120.400 -0.008 0.000 2.088 1310 D HA -0.088 4.552 4.640 -0.000 0.000 0.191 1310 D C 1.994 178.291 176.300 -0.006 0.000 0.992 1310 D CA 1.141 55.137 54.000 -0.008 0.000 0.831 1310 D CB -0.746 40.050 40.800 -0.005 0.000 0.973 1310 D HN 0.278 nan 8.370 nan 0.000 0.447 1311 L N 1.000 122.221 121.223 -0.003 0.000 1.997 1311 L HA -0.226 4.114 4.340 -0.000 0.000 0.216 1311 L C 2.080 178.955 176.870 0.009 0.000 1.074 1311 L CA 2.290 57.135 54.840 0.007 0.000 0.763 1311 L CB -1.138 40.920 42.059 -0.003 0.000 0.890 1311 L HN 0.075 nan 8.230 nan 0.000 0.434 1312 A N -1.198 121.623 122.820 0.001 0.000 1.940 1312 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 1312 A C 2.007 179.583 177.584 -0.013 0.000 1.176 1312 A CA 1.996 54.033 52.037 0.000 0.000 0.631 1312 A CB -0.865 18.135 19.000 0.000 0.000 0.814 1312 A HN 0.595 nan 8.150 nan 0.000 0.446 1313 D N -0.477 119.912 120.400 -0.018 0.000 2.103 1313 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 1313 D C 1.981 178.250 176.300 -0.051 0.000 0.978 1313 D CA 1.127 55.110 54.000 -0.029 0.000 0.829 1313 D CB -0.379 40.407 40.800 -0.022 0.000 0.981 1313 D HN 0.469 nan 8.370 nan 0.000 0.464 1314 N N 1.117 119.788 118.700 -0.048 0.000 2.069 1314 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 1314 N C 1.919 177.332 175.510 -0.162 0.000 1.031 1314 N CA 0.897 53.900 53.050 -0.080 0.000 0.852 1314 N CB -0.274 38.192 38.487 -0.034 0.000 1.018 1314 N HN 0.211 nan 8.380 nan 0.000 0.423 1315 I N 0.816 121.311 120.570 -0.126 0.000 2.454 1315 I HA -0.193 3.977 4.170 -0.000 0.000 0.254 1315 I C 2.448 178.456 176.117 -0.180 0.000 1.156 1315 I CA 0.869 62.053 61.300 -0.195 0.000 1.433 1315 I CB -0.284 37.706 38.000 -0.018 0.000 1.082 1315 I HN 0.311 nan 8.210 nan 0.000 0.432 1316 E N 1.469 121.604 120.200 -0.108 0.000 2.072 1316 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 1316 E C 2.365 178.910 176.600 -0.092 0.000 0.985 1316 E CA 1.059 57.415 56.400 -0.073 0.000 0.801 1316 E CB 0.133 29.807 29.700 -0.045 0.000 0.750 1316 E HN 0.486 nan 8.360 nan 0.000 0.452 1317 R N 0.174 120.602 120.500 -0.120 0.000 2.090 1317 R HA -0.032 4.308 4.340 -0.000 0.000 0.228 1317 R C 2.538 178.748 176.300 -0.149 0.000 1.110 1317 R CA 0.946 56.980 56.100 -0.109 0.000 0.973 1317 R CB -0.459 29.783 30.300 -0.096 0.000 0.869 1317 R HN 0.195 nan 8.270 nan 0.000 0.440 1318 L N 1.073 122.117 121.223 -0.300 0.000 2.093 1318 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 1318 L C 2.408 179.156 176.870 -0.203 0.000 1.085 1318 L CA 1.207 55.786 54.840 -0.435 0.000 0.755 1318 L CB -0.412 40.915 42.059 -1.220 0.000 0.904 1318 L HN 0.135 nan 8.230 nan 0.000 0.435 1319 K N 0.565 120.877 120.400 -0.147 0.000 2.439 1319 K HA 0.082 4.402 4.320 -0.000 0.000 0.197 1319 K C 0.781 177.409 176.600 0.046 0.000 1.041 1319 K CA 0.183 56.516 56.287 0.075 0.000 0.970 1319 K CB 0.094 32.636 32.500 0.069 0.000 0.773 1319 K HN 0.207 nan 8.250 nan 0.000 0.479 1320 A N 2.139 124.958 122.820 -0.000 0.000 2.388 1320 A HA 0.182 4.502 4.320 -0.000 0.000 0.257 1320 A C -0.166 177.429 177.584 0.019 0.000 1.095 1320 A CA -0.271 51.769 52.037 0.005 0.000 0.791 1320 A CB 0.124 19.116 19.000 -0.013 0.000 1.029 1320 A HN 0.508 nan 8.150 nan 0.000 0.489 1321 N N 2.044 120.756 118.700 0.019 0.000 2.688 1321 N HA -0.138 4.602 4.740 -0.000 0.000 0.261 1321 N C -0.562 174.967 175.510 0.032 0.000 1.116 1321 N CA 1.139 54.202 53.050 0.022 0.000 0.689 1321 N CB -0.912 37.586 38.487 0.018 0.000 0.882 1321 N HN 0.808 nan 8.380 nan 0.000 0.554 1322 D N -1.687 118.732 120.400 0.032 0.000 3.059 1322 D HA -0.200 4.440 4.640 -0.000 0.000 0.213 1322 D C 0.926 177.260 176.300 0.058 0.000 1.144 1322 D CA 2.296 56.317 54.000 0.036 0.000 0.975 1322 D CB -1.384 39.434 40.800 0.030 0.000 1.125 1322 D HN 1.160 nan 8.370 nan 0.000 0.412 1323 G N 0.019 108.864 108.800 0.075 0.000 2.248 1323 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 1323 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 1323 G C 0.761 175.744 174.900 0.139 0.000 1.082 1323 G CA 0.349 45.529 45.100 0.133 0.000 0.863 1323 G HN 0.352 nan 8.290 nan 0.000 0.495 1324 L N -0.032 121.244 121.223 0.090 0.000 1.976 1324 L HA 0.098 4.438 4.340 -0.000 0.000 0.209 1324 L C 2.679 179.611 176.870 0.102 0.000 1.071 1324 L CA 2.921 57.810 54.840 0.083 0.000 0.746 1324 L CB -0.802 41.287 42.059 0.050 0.000 0.890 1324 L HN 0.327 nan 8.230 nan 0.000 0.432 1325 K N -1.567 118.876 120.400 0.070 0.000 2.280 1325 K HA -0.152 4.168 4.320 -0.000 0.000 0.202 1325 K C 1.888 178.569 176.600 0.134 0.000 1.047 1325 K CA 0.874 57.195 56.287 0.056 0.000 0.942 1325 K CB -0.359 32.127 32.500 -0.024 0.000 0.739 1325 K HN 0.120 nan 8.250 nan 0.000 0.457 1326 F N 0.565 120.556 119.950 0.069 0.000 2.113 1326 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 1326 F C 2.275 178.178 175.800 0.173 0.000 1.103 1326 F CA 1.009 59.080 58.000 0.117 0.000 1.248 1326 F CB -0.707 38.330 39.000 0.062 0.000 0.999 1326 F HN -0.074 nan 8.300 nan 0.000 0.475 1327 S N -0.151 115.755 115.700 0.344 0.000 2.359 1327 S HA -0.268 4.202 4.470 -0.000 0.000 0.224 1327 S C 1.930 176.669 174.600 0.232 0.000 1.035 1327 S CA 1.604 59.953 58.200 0.248 0.000 1.018 1327 S CB -0.484 62.812 63.200 0.161 0.000 0.876 1327 S HN 0.471 nan 8.310 nan 0.000 0.448 1328 Q N 0.572 120.481 119.800 0.182 0.000 2.061 1328 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 1328 Q C 2.341 178.437 176.000 0.159 0.000 0.984 1328 Q CA 1.544 57.428 55.803 0.135 0.000 0.846 1328 Q CB -0.219 28.575 28.738 0.093 0.000 0.902 1328 Q HN 0.649 nan 8.270 nan 0.000 0.421 1329 E N 0.032 120.362 120.200 0.217 0.000 2.047 1329 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 1329 E C 1.864 178.650 176.600 0.311 0.000 0.987 1329 E CA 0.884 57.451 56.400 0.279 0.000 0.799 1329 E CB -0.154 29.749 29.700 0.339 0.000 0.752 1329 E HN 0.366 nan 8.360 nan 0.000 0.449 1330 Y N 1.571 121.923 120.300 0.087 0.000 2.145 1330 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 1330 Y C 1.802 177.647 175.900 -0.091 0.000 1.145 1330 Y CA 2.197 60.173 58.100 -0.205 0.000 1.148 1330 Y CB -0.175 38.168 38.460 -0.195 0.000 0.981 1330 Y HN 0.066 nan 8.280 nan 0.000 0.507 1331 E N -0.586 119.573 120.200 -0.069 0.000 2.338 1331 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 1331 E C 2.196 178.742 176.600 -0.091 0.000 1.007 1331 E CA 1.075 57.394 56.400 -0.134 0.000 0.849 1331 E CB -0.165 29.546 29.700 0.018 0.000 0.774 1331 E HN 0.540 nan 8.360 nan 0.000 0.506 1332 S N 0.133 115.833 115.700 0.000 0.000 2.496 1332 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 1332 S C 0.869 175.505 174.600 0.060 0.000 0.996 1332 S CA -0.272 57.973 58.200 0.076 0.000 0.927 1332 S CB -0.275 63.032 63.200 0.178 0.000 0.774 1332 S HN 0.093 nan 8.310 nan 0.000 0.524 1333 I N 3.216 123.727 120.570 -0.098 0.000 2.845 1333 I HA 0.068 4.238 4.170 -0.000 0.000 0.290 1333 I C -0.098 175.936 176.117 -0.139 0.000 1.202 1333 I CA 0.610 61.754 61.300 -0.260 0.000 1.406 1333 I CB 0.025 37.772 38.000 -0.421 0.000 1.383 1333 I HN 0.273 nan 8.210 nan 0.000 0.549 1334 D N 9.396 129.752 120.400 -0.074 0.000 2.470 1334 D HA 0.185 4.825 4.640 -0.000 0.000 0.233 1334 D C -1.783 174.523 176.300 0.009 0.000 1.372 1334 D CA -1.184 52.808 54.000 -0.014 0.000 0.994 1334 D CB 2.145 42.950 40.800 0.009 0.000 1.377 1334 D HN 0.203 nan 8.370 nan 0.000 0.586 1335 P HA 0.081 nan 4.420 nan 0.000 0.226 1335 P C 0.914 178.225 177.300 0.019 0.000 1.153 1335 P CA 0.858 63.994 63.100 0.061 0.000 0.777 1335 P CB 0.207 32.008 31.700 0.169 0.000 0.794 1336 G N 0.259 109.048 108.800 -0.018 0.000 2.249 1336 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.273 1336 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.273 1336 G C -0.226 174.575 174.900 -0.166 0.000 1.036 1336 G CA 0.057 45.114 45.100 -0.071 0.000 0.824 1336 G HN 0.508 nan 8.290 nan 0.000 0.504 1337 Q N -0.904 118.704 119.800 -0.320 0.000 2.433 1337 Q HA 0.620 4.960 4.340 -0.000 0.000 0.279 1337 Q C -0.506 174.881 176.000 -1.022 0.000 1.105 1337 Q CA -1.025 54.425 55.803 -0.589 0.000 0.815 1337 Q CB 1.519 29.911 28.738 -0.577 0.000 1.403 1337 Q HN 0.381 nan 8.270 nan 0.000 0.435 1338 Q N 1.461 120.759 119.800 -0.836 0.000 2.307 1338 Q HA 0.493 4.833 4.340 -0.000 0.000 0.262 1338 Q C -1.043 174.501 176.000 -0.759 0.000 0.961 1338 Q CA -0.104 55.283 55.803 -0.693 0.000 0.882 1338 Q CB 1.049 29.586 28.738 -0.335 0.000 1.264 1338 Q HN 0.434 nan 8.270 nan 0.000 0.446 1339 F N -0.014 119.841 119.950 -0.158 0.000 2.631 1339 F HA 0.671 5.198 4.527 -0.000 0.000 0.350 1339 F C 0.689 176.462 175.800 -0.045 0.000 1.080 1339 F CA -0.953 56.943 58.000 -0.173 0.000 1.026 1339 F CB 1.435 40.140 39.000 -0.492 0.000 1.347 1339 F HN 0.423 nan 8.300 nan 0.000 0.501 1340 T N -2.580 112.142 114.554 0.279 0.000 2.896 1340 T HA 0.583 4.933 4.350 -0.000 0.000 0.297 1340 T C -1.733 173.182 174.700 0.359 0.000 1.108 1340 T CA -0.716 61.352 62.100 -0.053 0.000 1.004 1340 T CB 1.628 70.437 68.868 -0.098 0.000 1.159 1340 T HN 0.876 nan 8.240 nan 0.000 0.499 1341 W N 1.160 122.570 121.300 0.183 0.000 1.067 1341 W HA 0.455 5.115 4.660 -0.000 0.000 0.313 1341 W C 0.542 177.114 176.519 0.089 0.000 0.868 1341 W CA -0.887 56.560 57.345 0.169 0.000 1.561 1341 W CB -0.441 29.131 29.460 0.187 0.000 1.608 1341 W HN 0.739 nan 8.180 nan 0.000 0.485 1342 E N 0.737 120.950 120.200 0.022 0.000 2.077 1342 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 1342 E C 1.261 177.868 176.600 0.012 0.000 0.989 1342 E CA 1.477 57.862 56.400 -0.025 0.000 0.800 1342 E CB -0.135 29.543 29.700 -0.036 0.000 0.746 1342 E HN 0.418 nan 8.360 nan 0.000 0.452 1343 N N 0.998 119.728 118.700 0.050 0.000 2.104 1343 N HA -0.101 4.639 4.740 -0.000 0.000 0.190 1343 N C 1.991 177.330 175.510 -0.285 0.000 1.024 1343 N CA 1.002 54.029 53.050 -0.037 0.000 0.853 1343 N CB -0.252 38.308 38.487 0.123 0.000 1.008 1343 N HN 0.027 nan 8.380 nan 0.000 0.424 1344 S N 0.912 116.571 115.700 -0.069 0.000 2.399 1344 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 1344 S C 1.263 175.809 174.600 -0.089 0.000 1.022 1344 S CA 0.807 58.928 58.200 -0.133 0.000 0.983 1344 S CB -0.039 63.313 63.200 0.253 0.000 0.803 1344 S HN 0.326 nan 8.310 nan 0.000 0.480 1345 N N 0.794 119.515 118.700 0.036 0.000 2.280 1345 N HA 0.254 4.994 4.740 -0.000 0.000 0.192 1345 N C -0.226 175.266 175.510 -0.031 0.000 1.109 1345 N CA 0.008 53.085 53.050 0.045 0.000 0.855 1345 N CB -0.026 38.541 38.487 0.132 0.000 0.974 1345 N HN 0.356 nan 8.380 nan 0.000 0.482 1346 L N 1.075 122.240 121.223 -0.096 0.000 2.485 1346 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 1346 L C 1.659 178.483 176.870 -0.077 0.000 1.207 1346 L CA -0.164 54.625 54.840 -0.085 0.000 0.855 1346 L CB 0.691 42.683 42.059 -0.111 0.000 1.114 1346 L HN 0.027 nan 8.230 nan 0.000 0.485 1347 E N 2.032 122.205 120.200 -0.045 0.000 2.130 1347 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 1347 E C 1.894 178.470 176.600 -0.039 0.000 0.998 1347 E CA 0.984 57.364 56.400 -0.032 0.000 0.806 1347 E CB -0.056 29.632 29.700 -0.020 0.000 0.738 1347 E HN 0.589 nan 8.360 nan 0.000 0.459 1348 V N 1.596 121.482 119.914 -0.046 0.000 2.626 1348 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 1348 V C 1.275 177.335 176.094 -0.056 0.000 1.067 1348 V CA 1.575 63.852 62.300 -0.039 0.000 1.081 1348 V CB -0.179 31.627 31.823 -0.029 0.000 0.686 1348 V HN 0.176 nan 8.190 nan 0.000 0.468 1349 N N -0.417 118.210 118.700 -0.122 0.000 2.356 1349 N HA 0.047 4.786 4.740 -0.000 0.000 0.178 1349 N C 1.620 177.049 175.510 -0.136 0.000 1.075 1349 N CA 0.383 53.312 53.050 -0.202 0.000 0.889 1349 N CB -0.022 38.111 38.487 -0.591 0.000 0.999 1349 N HN 0.492 nan 8.380 nan 0.000 0.464 1350 K N 0.821 121.167 120.400 -0.089 0.000 2.113 1350 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 1350 K C -0.938 175.656 176.600 -0.010 0.000 1.047 1350 K CA 1.254 57.520 56.287 -0.035 0.000 0.928 1350 K CB -0.782 31.709 32.500 -0.016 0.000 0.716 1350 K HN 0.192 nan 8.250 nan 0.000 0.446 1351 P HA -0.093 nan 4.420 nan 0.000 0.234 1351 P C 0.088 177.389 177.300 0.002 0.000 1.167 1351 P CA 1.057 64.152 63.100 -0.008 0.000 0.763 1351 P CB 0.080 31.775 31.700 -0.008 0.000 0.835 1352 K N -1.151 119.271 120.400 0.037 0.000 2.404 1352 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 1352 K C 0.084 176.739 176.600 0.093 0.000 1.023 1352 K CA 0.104 56.442 56.287 0.086 0.000 1.094 1352 K CB -0.045 32.578 32.500 0.205 0.000 0.841 1352 K HN 0.166 nan 8.250 nan 0.000 0.523 1353 N N 1.421 120.155 118.700 0.057 0.000 2.408 1353 N HA 0.102 4.842 4.740 -0.000 0.000 0.280 1353 N C 0.406 175.869 175.510 -0.077 0.000 1.002 1353 N CA -0.135 52.934 53.050 0.030 0.000 0.907 1353 N CB 1.779 40.306 38.487 0.066 0.000 1.161 1353 N HN 0.014 nan 8.380 nan 0.000 0.488 1354 R N 1.917 122.313 120.500 -0.173 0.000 2.092 1354 R HA -0.042 4.297 4.340 -0.000 0.000 0.231 1354 R C -0.397 175.538 176.300 -0.609 0.000 1.119 1354 R CA 1.476 57.315 56.100 -0.436 0.000 0.970 1354 R CB 0.167 30.116 30.300 -0.584 0.000 0.864 1354 R HN 0.513 nan 8.270 nan 0.000 0.440 1355 Y N -1.640 118.652 120.300 -0.013 0.000 2.361 1355 Y HA 0.420 4.970 4.550 -0.000 0.000 0.337 1355 Y C 0.574 176.474 175.900 -0.001 0.000 0.965 1355 Y CA -0.649 57.446 58.100 -0.009 0.000 1.091 1355 Y CB 1.974 40.426 38.460 -0.014 0.000 1.182 1355 Y HN -0.032 nan 8.280 nan 0.000 0.450 1356 A N 2.080 124.986 122.820 0.144 0.000 2.019 1356 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 1356 A C 1.608 179.245 177.584 0.089 0.000 1.164 1356 A CA 1.888 53.983 52.037 0.095 0.000 0.644 1356 A CB -0.447 18.601 19.000 0.080 0.000 0.805 1356 A HN 0.832 nan 8.150 nan 0.000 0.449 1357 N N -0.394 118.369 118.700 0.106 0.000 2.336 1357 N HA 0.062 4.801 4.740 -0.000 0.000 0.189 1357 N C -0.371 175.193 175.510 0.091 0.000 1.113 1357 N CA 0.379 53.477 53.050 0.080 0.000 0.858 1357 N CB 0.212 38.739 38.487 0.067 0.000 0.970 1357 N HN 0.154 nan 8.380 nan 0.000 0.471 1358 V N 2.590 122.557 119.914 0.088 0.000 2.284 1358 V HA 0.367 4.487 4.120 -0.000 0.000 0.274 1358 V C 0.080 176.135 176.094 -0.064 0.000 1.023 1358 V CA -0.945 61.385 62.300 0.049 0.000 0.808 1358 V CB 0.195 32.107 31.823 0.149 0.000 1.035 1358 V HN 0.142 nan 8.190 nan 0.000 0.445 1359 I N 1.678 122.097 120.570 -0.252 0.000 3.449 1359 I HA 1.041 5.211 4.170 -0.000 0.000 0.294 1359 I C 0.219 176.143 176.117 -0.323 0.000 1.163 1359 I CA -1.249 59.910 61.300 -0.236 0.000 1.010 1359 I CB 1.572 39.355 38.000 -0.362 0.000 1.307 1359 I HN 0.409 nan 8.210 nan 0.000 0.518 1360 A N 0.811 123.545 122.820 -0.143 0.000 2.304 1360 A HA 0.689 5.009 4.320 -0.000 0.000 0.314 1360 A C -1.334 176.260 177.584 0.017 0.000 1.187 1360 A CA -0.439 51.496 52.037 -0.169 0.000 0.810 1360 A CB 0.024 18.983 19.000 -0.068 0.000 1.183 1360 A HN 0.488 nan 8.150 nan 0.000 0.487 1361 Y N 1.772 122.075 120.300 0.005 0.000 2.610 1361 Y HA -0.000 4.550 4.550 -0.000 0.000 0.332 1361 Y C 1.331 177.357 175.900 0.209 0.000 1.201 1361 Y CA -0.216 57.992 58.100 0.180 0.000 1.465 1361 Y CB 0.276 38.801 38.460 0.109 0.000 1.283 1361 Y HN 0.766 nan 8.280 nan 0.000 0.563 1362 D N 0.868 121.563 120.400 0.492 0.000 2.123 1362 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 1362 D C 2.032 178.502 176.300 0.283 0.000 0.992 1362 D CA 1.868 56.065 54.000 0.329 0.000 0.833 1362 D CB -0.232 40.733 40.800 0.276 0.000 0.954 1362 D HN 0.792 nan 8.370 nan 0.000 0.455 1363 H N 0.325 119.519 119.070 0.206 0.000 2.491 1363 H HA 0.041 4.597 4.556 -0.000 0.000 0.290 1363 H C 1.246 176.674 175.328 0.167 0.000 1.050 1363 H CA 1.592 57.739 56.048 0.165 0.000 1.309 1363 H CB -0.120 29.738 29.762 0.160 0.000 1.392 1363 H HN 0.152 nan 8.280 nan 0.000 0.554 1364 S N 0.253 115.715 115.700 -0.397 0.000 2.666 1364 S HA 0.144 4.614 4.470 -0.000 0.000 0.239 1364 S C 0.885 175.469 174.600 -0.027 0.000 1.031 1364 S CA -0.828 57.230 58.200 -0.237 0.000 1.015 1364 S CB 0.406 63.346 63.200 -0.433 0.000 0.981 1364 S HN 0.548 nan 8.310 nan 0.000 0.547 1365 R N 1.059 121.545 120.500 -0.024 0.000 2.694 1365 R HA 0.410 4.750 4.340 -0.000 0.000 0.268 1365 R C -0.799 175.414 176.300 -0.144 0.000 1.061 1365 R CA -0.440 55.605 56.100 -0.091 0.000 1.133 1365 R CB 0.219 30.512 30.300 -0.013 0.000 1.020 1365 R HN 0.044 nan 8.270 nan 0.000 0.475 1366 V N 4.968 124.658 119.914 -0.374 0.000 2.389 1366 V HA 0.179 4.299 4.120 -0.000 0.000 0.264 1366 V C 0.503 176.488 176.094 -0.182 0.000 1.049 1366 V CA -0.275 61.749 62.300 -0.458 0.000 0.932 1366 V CB 0.430 31.881 31.823 -0.622 0.000 1.011 1366 V HN 0.582 nan 8.190 nan 0.000 0.475 1367 I N 6.005 126.560 120.570 -0.025 0.000 2.365 1367 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 1367 I C -0.166 175.958 176.117 0.012 0.000 1.004 1367 I CA -0.487 60.819 61.300 0.011 0.000 1.311 1367 I CB 1.244 39.284 38.000 0.068 0.000 1.401 1367 I HN 0.321 nan 8.210 nan 0.000 0.491 1368 L N 5.253 126.477 121.223 0.002 0.000 2.418 1368 L HA 0.303 4.643 4.340 -0.000 0.000 0.265 1368 L C 0.863 177.757 176.870 0.041 0.000 1.143 1368 L CA -0.081 54.768 54.840 0.015 0.000 0.809 1368 L CB 1.079 43.142 42.059 0.007 0.000 1.124 1368 L HN 0.702 nan 8.230 nan 0.000 0.456 1369 T N -0.663 113.920 114.554 0.049 0.000 2.900 1369 T HA 0.242 4.592 4.350 -0.000 0.000 0.307 1369 T C 0.482 175.209 174.700 0.046 0.000 1.065 1369 T CA -0.690 61.441 62.100 0.051 0.000 1.105 1369 T CB 0.195 69.096 68.868 0.056 0.000 0.979 1369 T HN 0.510 nan 8.240 nan 0.000 0.544 1370 S N 1.297 117.023 115.700 0.043 0.000 2.580 1370 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 1370 S C 0.410 175.030 174.600 0.034 0.000 1.329 1370 S CA -0.764 57.460 58.200 0.040 0.000 1.036 1370 S CB 0.108 63.331 63.200 0.039 0.000 0.919 1370 S HN 0.632 nan 8.310 nan 0.000 0.515 1371 I N 3.211 123.800 120.570 0.031 0.000 2.316 1371 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 1371 I C -0.338 175.792 176.117 0.022 0.000 1.107 1371 I CA -0.591 60.723 61.300 0.024 0.000 1.219 1371 I CB 0.080 38.093 38.000 0.023 0.000 1.455 1371 I HN 0.502 nan 8.210 nan 0.000 0.498 1372 D N 5.541 125.953 120.400 0.021 0.000 2.752 1372 D HA -0.075 4.565 4.640 -0.000 0.000 0.225 1372 D C 1.324 177.633 176.300 0.015 0.000 1.104 1372 D CA 1.432 55.443 54.000 0.018 0.000 0.832 1372 D CB 0.721 41.530 40.800 0.016 0.000 1.161 1372 D HN 0.925 nan 8.370 nan 0.000 0.505 1373 G N 1.028 109.837 108.800 0.015 0.000 2.195 1373 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 1373 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 1373 G C 0.202 175.110 174.900 0.012 0.000 0.984 1373 G CA 0.116 45.223 45.100 0.012 0.000 0.633 1373 G HN 0.553 nan 8.290 nan 0.000 0.525 1374 V N 2.527 122.451 119.914 0.016 0.000 2.326 1374 V HA 0.459 4.579 4.120 -0.000 0.000 0.281 1374 V C -1.862 174.244 176.094 0.021 0.000 1.015 1374 V CA -1.642 60.668 62.300 0.017 0.000 0.823 1374 V CB 1.611 33.445 31.823 0.019 0.000 1.009 1374 V HN 0.128 nan 8.190 nan 0.000 0.436 1375 P HA 0.222 nan 4.420 nan 0.000 0.266 1375 P C 1.104 178.417 177.300 0.023 0.000 1.195 1375 P CA 1.036 64.146 63.100 0.016 0.000 0.768 1375 P CB 0.686 32.391 31.700 0.008 0.000 0.838 1376 G N 2.191 111.008 108.800 0.028 0.000 2.175 1376 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.265 1376 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.265 1376 G C 1.123 176.073 174.900 0.084 0.000 0.979 1376 G CA 0.725 45.852 45.100 0.044 0.000 0.663 1376 G HN 0.623 nan 8.290 nan 0.000 0.533 1377 S N 0.466 116.206 115.700 0.066 0.000 2.507 1377 S HA -0.017 4.453 4.470 -0.000 0.000 0.235 1377 S C 1.588 176.234 174.600 0.077 0.000 0.988 1377 S CA 1.513 59.752 58.200 0.066 0.000 0.944 1377 S CB -0.084 63.143 63.200 0.046 0.000 0.762 1377 S HN 0.793 nan 8.310 nan 0.000 0.526 1378 D N -0.491 119.965 120.400 0.094 0.000 2.339 1378 D HA 0.024 4.664 4.640 -0.000 0.000 0.217 1378 D C 0.023 176.393 176.300 0.116 0.000 1.050 1378 D CA -0.476 53.577 54.000 0.088 0.000 0.856 1378 D CB -0.504 40.346 40.800 0.084 0.000 0.922 1378 D HN 0.565 nan 8.370 nan 0.000 0.518 1379 Y N 0.412 120.716 120.300 0.006 0.000 2.360 1379 Y HA 0.559 5.108 4.550 -0.000 0.000 0.337 1379 Y C -1.014 174.876 175.900 -0.017 0.000 1.039 1379 Y CA -1.217 56.882 58.100 -0.002 0.000 1.109 1379 Y CB 1.053 39.517 38.460 0.008 0.000 1.201 1379 Y HN -0.056 nan 8.280 nan 0.000 0.458 1380 I N 5.402 125.399 120.570 -0.956 0.000 2.752 1380 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 1380 I C -1.502 173.984 176.117 -1.052 0.000 1.219 1380 I CA -0.767 60.074 61.300 -0.764 0.000 1.030 1380 I CB 1.730 39.513 38.000 -0.363 0.000 1.259 1380 I HN 0.681 nan 8.210 nan 0.000 0.423 1381 N N 6.014 124.333 118.700 -0.634 0.000 2.605 1381 N HA 0.555 5.295 4.740 -0.000 0.000 0.258 1381 N C -1.189 174.149 175.510 -0.286 0.000 1.156 1381 N CA 0.330 53.158 53.050 -0.371 0.000 1.008 1381 N CB 0.356 38.769 38.487 -0.124 0.000 1.354 1381 N HN 0.699 nan 8.380 nan 0.000 0.509 1382 A N 2.994 125.622 122.820 -0.320 0.000 2.605 1382 A HA 0.556 4.876 4.320 -0.000 0.000 0.294 1382 A C -1.310 176.092 177.584 -0.303 0.000 1.062 1382 A CA -0.898 50.972 52.037 -0.277 0.000 0.682 1382 A CB 1.289 20.114 19.000 -0.293 0.000 1.278 1382 A HN 0.552 nan 8.150 nan 0.000 0.410 1383 N N -0.041 118.493 118.700 -0.277 0.000 2.277 1383 N HA 0.446 5.186 4.740 -0.000 0.000 0.286 1383 N C -1.781 173.595 175.510 -0.222 0.000 1.140 1383 N CA -0.263 52.628 53.050 -0.265 0.000 0.799 1383 N CB 1.458 39.823 38.487 -0.204 0.000 1.596 1383 N HN 0.562 nan 8.380 nan 0.000 0.473 1384 Y N 0.824 121.080 120.300 -0.072 0.000 2.411 1384 Y HA 0.277 4.827 4.550 -0.000 0.000 0.333 1384 Y C 0.629 176.528 175.900 -0.002 0.000 1.186 1384 Y CA 0.056 58.139 58.100 -0.027 0.000 1.381 1384 Y CB 0.672 39.110 38.460 -0.037 0.000 1.273 1384 Y HN 0.233 nan 8.280 nan 0.000 0.546 1385 I N 3.461 124.178 120.570 0.245 0.000 2.466 1385 I HA 0.170 4.339 4.170 -0.000 0.000 0.289 1385 I C -0.584 175.707 176.117 0.290 0.000 1.026 1385 I CA -1.091 60.336 61.300 0.211 0.000 1.078 1385 I CB 1.508 39.622 38.000 0.190 0.000 1.249 1385 I HN 0.533 nan 8.210 nan 0.000 0.429 1386 D N 4.335 124.848 120.400 0.187 0.000 2.443 1386 D HA 0.377 5.017 4.640 -0.000 0.000 0.239 1386 D C 0.570 177.109 176.300 0.398 0.000 1.136 1386 D CA 0.481 54.594 54.000 0.189 0.000 0.879 1386 D CB 1.426 42.279 40.800 0.088 0.000 1.195 1386 D HN 0.760 nan 8.370 nan 0.000 0.443 1387 G N 0.115 109.095 108.800 0.300 0.000 2.887 1387 G HA2 0.304 4.264 3.960 -0.000 0.000 0.277 1387 G HA3 0.304 4.264 3.960 -0.000 0.000 0.277 1387 G C -1.157 173.896 174.900 0.254 0.000 1.346 1387 G CA -0.679 44.640 45.100 0.365 0.000 1.058 1387 G HN 0.429 nan 8.290 nan 0.000 0.535 1388 Y N 0.659 120.989 120.300 0.050 0.000 2.537 1388 Y HA 0.293 4.843 4.550 -0.000 0.000 0.339 1388 Y C 1.515 177.396 175.900 -0.032 0.000 1.066 1388 Y CA 0.219 58.311 58.100 -0.013 0.000 1.357 1388 Y CB 0.145 38.562 38.460 -0.072 0.000 1.175 1388 Y HN 0.715 nan 8.280 nan 0.000 0.525 1389 R N 2.728 122.835 120.500 -0.654 0.000 3.863 1389 R HA -0.225 4.115 4.340 -0.000 0.000 0.313 1389 R C -1.141 174.975 176.300 -0.307 0.000 1.202 1389 R CA 1.471 57.209 56.100 -0.603 0.000 0.852 1389 R CB -1.233 28.471 30.300 -0.993 0.000 1.292 1389 R HN 0.813 nan 8.270 nan 0.000 0.519 1390 K N -0.808 119.486 120.400 -0.177 0.000 2.589 1390 K HA 0.249 4.569 4.320 -0.000 0.000 0.253 1390 K C -0.926 175.632 176.600 -0.070 0.000 0.974 1390 K CA -0.971 55.241 56.287 -0.125 0.000 0.835 1390 K CB 1.429 33.845 32.500 -0.140 0.000 1.272 1390 K HN -0.033 nan 8.250 nan 0.000 0.444 1391 Q N 1.914 121.674 119.800 -0.068 0.000 2.392 1391 Q HA 0.099 4.439 4.340 -0.000 0.000 0.262 1391 Q C -0.416 175.540 176.000 -0.073 0.000 1.003 1391 Q CA 0.226 55.999 55.803 -0.049 0.000 0.888 1391 Q CB 0.317 29.018 28.738 -0.062 0.000 1.260 1391 Q HN 0.763 nan 8.270 nan 0.000 0.435 1392 N N 0.243 118.925 118.700 -0.029 0.000 2.725 1392 N HA -0.287 4.452 4.740 -0.000 0.000 0.251 1392 N C 0.116 175.617 175.510 -0.015 0.000 1.031 1392 N CA 0.060 53.101 53.050 -0.014 0.000 0.720 1392 N CB -0.618 37.693 38.487 -0.293 0.000 0.930 1392 N HN 0.719 nan 8.380 nan 0.000 0.543 1393 A N -0.937 121.854 122.820 -0.049 0.000 2.067 1393 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 1393 A C 0.415 177.760 177.584 -0.399 0.000 1.156 1393 A CA 1.092 52.959 52.037 -0.285 0.000 0.683 1393 A CB 0.110 18.829 19.000 -0.469 0.000 0.808 1393 A HN 0.488 nan 8.150 nan 0.000 0.455 1394 Y N -2.338 118.030 120.300 0.114 0.000 2.698 1394 Y HA 0.730 5.280 4.550 -0.000 0.000 0.332 1394 Y C -0.293 175.672 175.900 0.108 0.000 1.119 1394 Y CA -1.271 56.895 58.100 0.110 0.000 1.109 1394 Y CB 1.275 39.808 38.460 0.122 0.000 1.308 1394 Y HN -0.108 nan 8.280 nan 0.000 0.499 1395 I N 1.286 121.999 120.570 0.239 0.000 2.512 1395 I HA 0.593 4.763 4.170 -0.000 0.000 0.287 1395 I C -1.090 175.046 176.117 0.031 0.000 1.069 1395 I CA -0.882 60.448 61.300 0.050 0.000 1.056 1395 I CB 1.776 39.740 38.000 -0.061 0.000 1.229 1395 I HN 0.692 nan 8.210 nan 0.000 0.429 1396 A N 4.415 127.223 122.820 -0.020 0.000 2.271 1396 A HA 0.817 5.137 4.320 -0.000 0.000 0.317 1396 A C -0.380 177.161 177.584 -0.071 0.000 1.245 1396 A CA -0.380 51.641 52.037 -0.027 0.000 0.857 1396 A CB 1.450 20.430 19.000 -0.034 0.000 1.175 1396 A HN 0.623 nan 8.150 nan 0.000 0.512 1397 T N 0.852 115.387 114.554 -0.031 0.000 2.841 1397 T HA 0.518 4.868 4.350 -0.000 0.000 0.296 1397 T C -0.418 174.269 174.700 -0.020 0.000 1.166 1397 T CA -0.510 61.554 62.100 -0.059 0.000 1.007 1397 T CB 1.249 70.074 68.868 -0.072 0.000 1.253 1397 T HN 0.896 nan 8.240 nan 0.000 0.511 1398 Q N 0.965 120.722 119.800 -0.071 0.000 2.317 1398 Q HA 0.592 4.932 4.340 -0.000 0.000 0.229 1398 Q C 0.476 176.367 176.000 -0.182 0.000 0.984 1398 Q CA -0.846 54.921 55.803 -0.061 0.000 0.911 1398 Q CB 0.288 28.984 28.738 -0.070 0.000 1.217 1398 Q HN 0.739 nan 8.270 nan 0.000 0.501 1399 G N 2.380 111.099 108.800 -0.135 0.000 2.335 1399 G HA2 0.270 4.230 3.960 -0.000 0.000 0.268 1399 G HA3 0.270 4.230 3.960 -0.000 0.000 0.268 1399 G C -2.238 172.421 174.900 -0.402 0.000 1.228 1399 G CA -0.990 43.930 45.100 -0.299 0.000 0.968 1399 G HN 0.540 nan 8.290 nan 0.000 0.459 1400 P HA 0.020 nan 4.420 nan 0.000 0.266 1400 P C -0.009 177.114 177.300 -0.294 0.000 1.193 1400 P CA 0.179 62.964 63.100 -0.526 0.000 0.770 1400 P CB 0.953 32.129 31.700 -0.874 0.000 0.836 1401 L N 4.288 125.388 121.223 -0.205 0.000 2.358 1401 L HA 0.361 4.701 4.340 -0.000 0.000 0.268 1401 L C -1.206 175.606 176.870 -0.098 0.000 1.032 1401 L CA -2.244 52.514 54.840 -0.138 0.000 0.805 1401 L CB 0.785 42.772 42.059 -0.119 0.000 1.253 1401 L HN 0.168 nan 8.230 nan 0.000 0.452 1402 P HA -0.201 nan 4.420 nan 0.000 0.217 1402 P C 0.768 178.055 177.300 -0.021 0.000 1.148 1402 P CA 1.226 64.301 63.100 -0.040 0.000 0.828 1402 P CB 0.095 31.771 31.700 -0.039 0.000 0.783 1403 E N -1.153 119.031 120.200 -0.026 0.000 2.442 1403 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 1403 E C 1.124 177.723 176.600 -0.000 0.000 1.030 1403 E CA 1.253 57.648 56.400 -0.008 0.000 0.869 1403 E CB -1.109 28.585 29.700 -0.009 0.000 0.857 1403 E HN 0.331 nan 8.360 nan 0.000 0.505 1404 T N -2.750 111.791 114.554 -0.022 0.000 3.054 1404 T HA 0.283 4.633 4.350 -0.000 0.000 0.255 1404 T C 1.701 176.395 174.700 -0.010 0.000 1.035 1404 T CA -0.312 61.777 62.100 -0.019 0.000 0.941 1404 T CB -0.050 68.786 68.868 -0.052 0.000 1.026 1404 T HN -0.104 nan 8.240 nan 0.000 0.533 1405 M N 1.613 121.214 119.600 0.002 0.000 2.080 1405 M HA 0.070 4.550 4.480 -0.000 0.000 0.260 1405 M C 2.578 179.002 176.300 0.208 0.000 1.068 1405 M CA 2.186 57.521 55.300 0.060 0.000 1.109 1405 M CB -0.552 32.120 32.600 0.120 0.000 1.342 1405 M HN 0.521 nan 8.290 nan 0.000 0.405 1406 G N -0.666 108.243 108.800 0.182 0.000 2.408 1406 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 1406 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 1406 G C 1.065 176.069 174.900 0.173 0.000 1.150 1406 G CA 1.076 46.300 45.100 0.207 0.000 0.776 1406 G HN 0.366 nan 8.290 nan 0.000 0.542 1407 D N -0.084 120.379 120.400 0.104 0.000 2.144 1407 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 1407 D C 1.927 178.250 176.300 0.038 0.000 0.978 1407 D CA 0.410 54.444 54.000 0.057 0.000 0.833 1407 D CB -0.320 40.493 40.800 0.021 0.000 0.961 1407 D HN 0.323 nan 8.370 nan 0.000 0.470 1408 F N -0.143 119.715 119.950 -0.154 0.000 2.075 1408 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 1408 F C 2.038 177.697 175.800 -0.235 0.000 1.113 1408 F CA 1.511 59.326 58.000 -0.309 0.000 1.218 1408 F CB -0.501 38.164 39.000 -0.557 0.000 0.984 1408 F HN -0.040 nan 8.300 nan 0.000 0.472 1409 W N 0.487 121.856 121.300 0.115 0.000 2.425 1409 W HA -0.079 4.581 4.660 -0.000 0.000 0.277 1409 W C 2.692 179.212 176.519 0.001 0.000 1.231 1409 W CA 0.993 58.360 57.345 0.038 0.000 1.248 1409 W CB -0.303 29.242 29.460 0.142 0.000 1.117 1409 W HN -0.065 nan 8.180 nan 0.000 0.568 1410 R N 0.459 121.085 120.500 0.210 0.000 2.148 1410 R HA -0.125 4.215 4.340 -0.000 0.000 0.223 1410 R C 2.151 178.511 176.300 0.099 0.000 1.088 1410 R CA 1.409 57.598 56.100 0.149 0.000 0.985 1410 R CB -0.399 29.954 30.300 0.088 0.000 0.880 1410 R HN 0.210 nan 8.270 nan 0.000 0.451 1411 M N -0.195 119.382 119.600 -0.039 0.000 2.200 1411 M HA -0.094 4.386 4.480 -0.000 0.000 0.265 1411 M C 1.538 177.775 176.300 -0.104 0.000 1.066 1411 M CA 1.327 56.561 55.300 -0.111 0.000 1.127 1411 M CB 0.243 32.691 32.600 -0.253 0.000 1.379 1411 M HN 0.069 nan 8.290 nan 0.000 0.420 1412 V N 0.119 119.939 119.914 -0.156 0.000 2.343 1412 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 1412 V C 2.132 178.279 176.094 0.088 0.000 1.051 1412 V CA 2.096 64.347 62.300 -0.083 0.000 1.036 1412 V CB -1.012 30.777 31.823 -0.056 0.000 0.654 1412 V HN 0.756 nan 8.190 nan 0.000 0.451 1413 W N 1.038 122.349 121.300 0.019 0.000 2.379 1413 W HA -0.153 4.507 4.660 -0.000 0.000 0.307 1413 W C 2.332 178.856 176.519 0.010 0.000 1.200 1413 W CA 1.980 59.343 57.345 0.030 0.000 1.297 1413 W CB -0.161 29.327 29.460 0.045 0.000 1.140 1413 W HN 0.334 nan 8.180 nan 0.000 0.507 1414 E N -0.331 120.018 120.200 0.249 0.000 2.110 1414 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 1414 E C 2.008 178.624 176.600 0.027 0.000 0.988 1414 E CA 1.180 57.665 56.400 0.142 0.000 0.804 1414 E CB -0.121 29.661 29.700 0.137 0.000 0.745 1414 E HN 0.175 nan 8.360 nan 0.000 0.458 1415 Q N -0.015 119.787 119.800 0.003 0.000 2.403 1415 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 1415 Q C -0.126 175.845 176.000 -0.048 0.000 0.932 1415 Q CA 0.174 55.975 55.803 -0.003 0.000 0.945 1415 Q CB 0.356 29.098 28.738 0.007 0.000 1.045 1415 Q HN 0.262 nan 8.270 nan 0.000 0.511 1416 R N -0.312 120.121 120.500 -0.111 0.000 3.641 1416 R HA -0.105 4.235 4.340 -0.000 0.000 0.286 1416 R C -0.421 175.817 176.300 -0.102 0.000 1.153 1416 R CA 0.681 56.681 56.100 -0.166 0.000 0.775 1416 R CB -2.959 27.253 30.300 -0.147 0.000 1.215 1416 R HN 0.083 nan 8.270 nan 0.000 0.474 1417 T N 0.171 114.686 114.554 -0.066 0.000 2.916 1417 T HA 0.284 4.634 4.350 -0.000 0.000 0.303 1417 T C 1.348 176.051 174.700 0.005 0.000 1.025 1417 T CA 0.590 62.675 62.100 -0.025 0.000 1.142 1417 T CB 1.465 70.313 68.868 -0.033 0.000 0.947 1417 T HN 0.452 nan 8.240 nan 0.000 0.544 1418 A N 2.952 125.791 122.820 0.032 0.000 2.358 1418 A HA 0.401 4.721 4.320 -0.000 0.000 0.223 1418 A C 0.851 178.517 177.584 0.137 0.000 1.218 1418 A CA -0.065 52.013 52.037 0.069 0.000 0.942 1418 A CB 0.612 19.637 19.000 0.042 0.000 1.005 1418 A HN 0.684 nan 8.150 nan 0.000 0.514 1419 T N 0.009 114.643 114.554 0.134 0.000 2.921 1419 T HA 0.520 4.870 4.350 -0.000 0.000 0.297 1419 T C -1.173 173.631 174.700 0.174 0.000 1.013 1419 T CA -0.291 61.925 62.100 0.195 0.000 0.990 1419 T CB 1.920 70.874 68.868 0.143 0.000 1.023 1419 T HN -0.061 nan 8.240 nan 0.000 0.447 1420 V N 3.477 123.537 119.914 0.243 0.000 2.459 1420 V HA 0.566 4.686 4.120 -0.000 0.000 0.295 1420 V C -0.414 175.808 176.094 0.213 0.000 1.029 1420 V CA -0.657 61.775 62.300 0.220 0.000 0.874 1420 V CB 1.958 33.963 31.823 0.303 0.000 0.985 1420 V HN 0.728 nan 8.190 nan 0.000 0.438 1421 V N 6.163 126.123 119.914 0.076 0.000 2.378 1421 V HA 0.447 4.567 4.120 -0.000 0.000 0.288 1421 V C -0.081 175.923 176.094 -0.151 0.000 1.016 1421 V CA -0.357 61.912 62.300 -0.052 0.000 0.840 1421 V CB 1.528 33.072 31.823 -0.467 0.000 0.994 1421 V HN 0.885 nan 8.190 nan 0.000 0.431 1422 M N 6.140 125.688 119.600 -0.088 0.000 2.061 1422 M HA 0.434 4.914 4.480 -0.000 0.000 0.346 1422 M C -0.013 176.163 176.300 -0.207 0.000 1.112 1422 M CA -0.492 54.600 55.300 -0.347 0.000 1.021 1422 M CB 1.010 33.543 32.600 -0.112 0.000 1.530 1422 M HN 0.498 nan 8.290 nan 0.000 0.437 1423 M N 3.441 122.855 119.600 -0.311 0.000 2.723 1423 M HA 0.213 4.693 4.480 -0.000 0.000 0.270 1423 M C -0.023 176.171 176.300 -0.176 0.000 1.282 1423 M CA 0.218 55.392 55.300 -0.210 0.000 0.995 1423 M CB -0.976 31.449 32.600 -0.292 0.000 1.430 1423 M HN 0.675 nan 8.290 nan 0.000 0.477 1424 T N -0.587 113.906 114.554 -0.102 0.000 2.802 1424 T HA 0.564 4.914 4.350 -0.000 0.000 0.311 1424 T C -1.051 173.661 174.700 0.020 0.000 1.405 1424 T CA -0.622 61.447 62.100 -0.051 0.000 1.016 1424 T CB 2.233 71.073 68.868 -0.046 0.000 1.352 1424 T HN 0.326 nan 8.240 nan 0.000 0.498 1425 R N 1.625 122.139 120.500 0.024 0.000 2.532 1425 R HA 0.545 4.885 4.340 -0.000 0.000 0.272 1425 R C 1.183 177.527 176.300 0.073 0.000 1.032 1425 R CA -0.676 55.452 56.100 0.046 0.000 1.089 1425 R CB 0.371 30.680 30.300 0.015 0.000 1.098 1425 R HN 0.441 nan 8.270 nan 0.000 0.526 1426 L N 0.832 122.114 121.223 0.098 0.000 2.046 1426 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 1426 L C 0.241 177.133 176.870 0.037 0.000 1.077 1426 L CA 1.848 56.739 54.840 0.085 0.000 0.747 1426 L CB -0.719 41.376 42.059 0.061 0.000 0.896 1426 L HN 0.639 nan 8.230 nan 0.000 0.432 1427 E N -0.237 119.976 120.200 0.020 0.000 2.224 1427 E HA 0.338 4.688 4.350 -0.000 0.000 0.265 1427 E C -0.859 175.738 176.600 -0.005 0.000 0.878 1427 E CA -0.221 56.181 56.400 0.003 0.000 0.759 1427 E CB 1.533 31.230 29.700 -0.006 0.000 1.164 1427 E HN 0.162 nan 8.360 nan 0.000 0.414 1428 E N 2.946 123.138 120.200 -0.012 0.000 2.265 1428 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 1428 E C -0.839 175.734 176.600 -0.045 0.000 0.889 1428 E CA -0.566 55.814 56.400 -0.033 0.000 0.789 1428 E CB 1.374 31.052 29.700 -0.036 0.000 1.221 1428 E HN 0.363 nan 8.360 nan 0.000 0.414 1429 K N 1.437 121.804 120.400 -0.055 0.000 3.192 1429 K HA -0.204 4.116 4.320 -0.000 0.000 0.278 1429 K C -0.211 176.378 176.600 -0.017 0.000 1.164 1429 K CA 0.797 57.056 56.287 -0.047 0.000 0.816 1429 K CB -1.750 30.708 32.500 -0.071 0.000 1.256 1429 K HN 0.756 nan 8.250 nan 0.000 0.497 1430 S N -1.538 114.153 115.700 -0.015 0.000 3.228 1430 S HA -0.208 4.262 4.470 -0.000 0.000 0.282 1430 S C 0.096 174.694 174.600 -0.003 0.000 1.286 1430 S CA 1.772 59.968 58.200 -0.008 0.000 1.066 1430 S CB -0.562 62.636 63.200 -0.003 0.000 1.277 1430 S HN 0.458 nan 8.310 nan 0.000 0.661 1431 R N 0.495 120.993 120.500 -0.002 0.000 2.604 1431 R HA 0.645 4.985 4.340 -0.000 0.000 0.287 1431 R C -0.280 176.025 176.300 0.007 0.000 0.970 1431 R CA -0.708 55.396 56.100 0.007 0.000 0.946 1431 R CB 0.622 30.931 30.300 0.016 0.000 1.127 1431 R HN 0.110 nan 8.270 nan 0.000 0.473 1432 V N 4.086 124.005 119.914 0.009 0.000 2.455 1432 V HA 0.057 4.177 4.120 -0.000 0.000 0.273 1432 V C 1.008 177.116 176.094 0.024 0.000 1.045 1432 V CA 0.058 62.361 62.300 0.004 0.000 0.976 1432 V CB 0.880 32.694 31.823 -0.014 0.000 0.993 1432 V HN 0.678 nan 8.190 nan 0.000 0.475 1433 K N 2.901 123.319 120.400 0.031 0.000 2.313 1433 K HA 0.262 4.582 4.320 -0.000 0.000 0.197 1433 K C 0.344 176.975 176.600 0.053 0.000 1.061 1433 K CA 0.485 56.806 56.287 0.057 0.000 0.980 1433 K CB 0.271 32.799 32.500 0.047 0.000 0.888 1433 K HN 0.588 nan 8.250 nan 0.000 0.502 1434 C N 1.494 120.820 119.300 0.044 0.000 3.239 1434 C HA 0.431 4.891 4.460 -0.000 0.000 0.329 1434 C C -1.732 173.272 174.990 0.023 0.000 1.252 1434 C CA -0.836 58.208 59.018 0.044 0.000 1.323 1434 C CB 1.375 29.212 27.740 0.161 0.000 1.663 1434 C HN 0.334 nan 8.230 nan 0.000 0.487 1435 D N 2.218 122.613 120.400 -0.008 0.000 2.193 1435 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 1435 D C -0.573 175.706 176.300 -0.036 0.000 1.034 1435 D CA 0.081 54.054 54.000 -0.044 0.000 0.902 1435 D CB 1.621 42.379 40.800 -0.069 0.000 1.182 1435 D HN 0.703 nan 8.370 nan 0.000 0.436 1436 Q N 1.624 121.285 119.800 -0.231 0.000 2.262 1436 Q HA -0.030 4.310 4.340 -0.000 0.000 0.272 1436 Q C -0.425 175.330 176.000 -0.408 0.000 1.076 1436 Q CA -0.034 55.389 55.803 -0.633 0.000 0.905 1436 Q CB 0.211 28.415 28.738 -0.890 0.000 1.182 1436 Q HN 0.565 nan 8.270 nan 0.000 0.390 1437 Y N 2.437 122.602 120.300 -0.225 0.000 2.555 1437 Y HA 0.352 4.902 4.550 -0.000 0.000 0.259 1437 Y C -1.076 175.057 175.900 0.388 0.000 1.179 1437 Y CA -1.361 56.742 58.100 0.005 0.000 1.230 1437 Y CB -0.377 37.953 38.460 -0.217 0.000 1.146 1437 Y HN 0.484 nan 8.280 nan 0.000 0.526 1438 W N 0.352 121.623 121.300 -0.048 0.000 2.864 1438 W HA 0.834 5.494 4.660 -0.000 0.000 0.343 1438 W C -3.169 173.434 176.519 0.141 0.000 1.109 1438 W CA -3.229 54.202 57.345 0.144 0.000 1.192 1438 W CB 0.763 30.309 29.460 0.143 0.000 1.426 1438 W HN -0.293 nan 8.180 nan 0.000 0.529 1439 P HA 0.166 nan 4.420 nan 0.000 0.276 1439 P C 0.420 177.848 177.300 0.214 0.000 1.235 1439 P CA 0.126 63.324 63.100 0.163 0.000 0.772 1439 P CB 1.470 33.267 31.700 0.162 0.000 0.871 1440 A N 4.353 127.198 122.820 0.043 0.000 2.121 1440 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 1440 A C 0.684 178.322 177.584 0.091 0.000 1.154 1440 A CA 1.099 53.182 52.037 0.076 0.000 0.679 1440 A CB -0.441 18.550 19.000 -0.015 0.000 0.795 1440 A HN 0.663 nan 8.150 nan 0.000 0.458 1441 R N -4.122 116.423 120.500 0.075 0.000 2.716 1441 R HA 0.586 4.926 4.340 -0.000 0.000 0.271 1441 R C 0.665 176.998 176.300 0.055 0.000 1.028 1441 R CA -0.305 55.826 56.100 0.052 0.000 0.883 1441 R CB -0.227 30.087 30.300 0.023 0.000 1.250 1441 R HN 0.906 nan 8.270 nan 0.000 0.465 1442 G N 0.376 109.200 108.800 0.040 0.000 2.614 1442 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.303 1442 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.303 1442 G C -0.333 174.602 174.900 0.058 0.000 1.270 1442 G CA 0.706 45.828 45.100 0.036 0.000 0.988 1442 G HN 1.158 nan 8.290 nan 0.000 0.551 1443 T N -1.009 113.569 114.554 0.039 0.000 2.900 1443 T HA 0.688 5.038 4.350 -0.000 0.000 0.295 1443 T C -0.666 174.041 174.700 0.012 0.000 1.044 1443 T CA 0.193 62.315 62.100 0.036 0.000 0.995 1443 T CB 2.198 71.077 68.868 0.019 0.000 1.072 1443 T HN 0.780 nan 8.240 nan 0.000 0.473 1444 E N 0.865 121.064 120.200 -0.001 0.000 2.416 1444 E HA 0.540 4.890 4.350 -0.000 0.000 0.273 1444 E C -1.164 175.409 176.600 -0.045 0.000 0.935 1444 E CA -1.012 55.380 56.400 -0.013 0.000 0.784 1444 E CB 2.438 32.143 29.700 0.009 0.000 1.301 1444 E HN 0.631 nan 8.360 nan 0.000 0.454 1445 T N 0.896 115.431 114.554 -0.032 0.000 2.770 1445 T HA 0.328 4.678 4.350 -0.000 0.000 0.283 1445 T C -0.892 173.806 174.700 -0.004 0.000 0.988 1445 T CA -0.382 61.693 62.100 -0.041 0.000 0.957 1445 T CB 0.131 68.976 68.868 -0.038 0.000 0.930 1445 T HN 0.400 nan 8.240 nan 0.000 0.443 1446 C N 4.091 123.397 119.300 0.010 0.000 2.294 1446 C HA 0.784 5.244 4.460 -0.000 0.000 0.319 1446 C C 1.573 176.622 174.990 0.098 0.000 1.164 1446 C CA -0.307 58.779 59.018 0.112 0.000 1.497 1446 C CB -0.719 27.204 27.740 0.304 0.000 2.061 1446 C HN 1.285 nan 8.230 nan 0.000 0.438 1447 G N 3.055 111.892 108.800 0.062 0.000 2.565 1447 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.295 1447 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.295 1447 G C 0.368 175.267 174.900 -0.002 0.000 1.165 1447 G CA 0.625 45.748 45.100 0.039 0.000 0.977 1447 G HN 0.669 nan 8.290 nan 0.000 0.546 1448 L N 1.302 122.513 121.223 -0.020 0.000 2.653 1448 L HA 0.420 4.759 4.340 -0.000 0.000 0.231 1448 L C 0.221 177.002 176.870 -0.147 0.000 1.153 1448 L CA -0.182 54.609 54.840 -0.082 0.000 0.933 1448 L CB -0.040 41.962 42.059 -0.096 0.000 1.175 1448 L HN 0.237 nan 8.230 nan 0.000 0.473 1449 I N 0.713 121.222 120.570 -0.102 0.000 2.433 1449 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 1449 I C -0.078 175.949 176.117 -0.151 0.000 1.001 1449 I CA -0.396 60.809 61.300 -0.158 0.000 1.119 1449 I CB 1.714 39.672 38.000 -0.069 0.000 1.289 1449 I HN 0.117 nan 8.210 nan 0.000 0.438 1450 Q N 5.784 125.501 119.800 -0.139 0.000 2.296 1450 Q HA 0.515 4.855 4.340 -0.000 0.000 0.257 1450 Q C -1.717 174.210 176.000 -0.121 0.000 0.942 1450 Q CA -0.366 55.379 55.803 -0.096 0.000 0.939 1450 Q CB 1.460 30.173 28.738 -0.042 0.000 1.198 1450 Q HN 0.509 nan 8.270 nan 0.000 0.429 1451 V N 4.462 124.256 119.914 -0.198 0.000 2.357 1451 V HA 0.403 4.523 4.120 -0.000 0.000 0.284 1451 V C -0.442 175.640 176.094 -0.019 0.000 1.018 1451 V CA -0.649 61.487 62.300 -0.273 0.000 0.841 1451 V CB 1.630 33.046 31.823 -0.679 0.000 0.991 1451 V HN 0.898 nan 8.190 nan 0.000 0.437 1452 T N 6.168 120.785 114.554 0.105 0.000 2.791 1452 T HA 0.465 4.815 4.350 -0.000 0.000 0.288 1452 T C -0.412 174.426 174.700 0.231 0.000 0.999 1452 T CA -0.306 61.887 62.100 0.154 0.000 0.952 1452 T CB 1.267 70.215 68.868 0.133 0.000 0.938 1452 T HN 0.462 nan 8.240 nan 0.000 0.444 1453 L N 4.948 126.290 121.223 0.199 0.000 2.361 1453 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 1453 L C 0.430 177.253 176.870 -0.078 0.000 1.113 1453 L CA 0.253 55.087 54.840 -0.009 0.000 0.849 1453 L CB 0.017 42.091 42.059 0.025 0.000 1.155 1453 L HN 0.721 nan 8.230 nan 0.000 0.452 1454 L N 2.922 124.045 121.223 -0.166 0.000 2.316 1454 L HA 0.388 4.728 4.340 -0.000 0.000 0.207 1454 L C -0.040 176.758 176.870 -0.119 0.000 1.070 1454 L CA 0.246 55.028 54.840 -0.097 0.000 0.820 1454 L CB 0.141 42.163 42.059 -0.060 0.000 0.992 1454 L HN 0.753 nan 8.230 nan 0.000 0.466 1455 D N -1.854 118.428 120.400 -0.196 0.000 2.706 1455 D HA 0.302 4.942 4.640 -0.000 0.000 0.225 1455 D C -1.250 174.918 176.300 -0.219 0.000 1.241 1455 D CA -0.241 53.663 54.000 -0.161 0.000 0.784 1455 D CB 1.967 42.701 40.800 -0.110 0.000 1.521 1455 D HN -0.237 nan 8.370 nan 0.000 0.461 1456 T N 1.301 115.757 114.554 -0.164 0.000 2.881 1456 T HA 0.586 4.936 4.350 -0.000 0.000 0.290 1456 T C -1.087 173.525 174.700 -0.145 0.000 1.000 1456 T CA -0.602 61.394 62.100 -0.172 0.000 0.978 1456 T CB 1.590 70.380 68.868 -0.130 0.000 0.997 1456 T HN 0.232 nan 8.240 nan 0.000 0.443 1457 V N 3.244 123.058 119.914 -0.166 0.000 2.409 1457 V HA 0.353 4.472 4.120 -0.000 0.000 0.290 1457 V C -0.292 175.670 176.094 -0.221 0.000 1.017 1457 V CA -0.815 61.378 62.300 -0.177 0.000 0.841 1457 V CB 1.576 33.304 31.823 -0.158 0.000 1.003 1457 V HN 0.860 nan 8.190 nan 0.000 0.426 1458 E N 5.156 125.220 120.200 -0.226 0.000 2.146 1458 E HA 0.607 4.957 4.350 -0.000 0.000 0.282 1458 E C -0.853 175.535 176.600 -0.353 0.000 0.989 1458 E CA -0.246 56.005 56.400 -0.248 0.000 0.799 1458 E CB 1.631 31.225 29.700 -0.175 0.000 1.088 1458 E HN 0.516 nan 8.360 nan 0.000 0.397 1459 L N 1.165 122.111 121.223 -0.462 0.000 2.260 1459 L HA 0.460 4.800 4.340 -0.000 0.000 0.265 1459 L C 1.445 178.090 176.870 -0.375 0.000 1.015 1459 L CA -0.679 53.824 54.840 -0.561 0.000 0.826 1459 L CB 1.006 42.564 42.059 -0.835 0.000 1.373 1459 L HN 0.611 nan 8.230 nan 0.000 0.450 1460 A N -0.034 122.614 122.820 -0.286 0.000 1.917 1460 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 1460 A C 1.717 179.236 177.584 -0.108 0.000 1.182 1460 A CA 2.634 54.586 52.037 -0.142 0.000 0.633 1460 A CB -0.876 18.098 19.000 -0.044 0.000 0.819 1460 A HN 0.868 nan 8.150 nan 0.000 0.448 1461 T N -4.921 109.600 114.554 -0.054 0.000 3.044 1461 T HA 0.473 4.823 4.350 -0.000 0.000 0.260 1461 T C 0.045 174.776 174.700 0.051 0.000 1.019 1461 T CA 0.319 62.414 62.100 -0.009 0.000 0.921 1461 T CB -0.169 68.806 68.868 0.179 0.000 1.053 1461 T HN 0.917 nan 8.240 nan 0.000 0.533 1462 Y N -1.522 118.779 120.300 0.002 0.000 2.741 1462 Y HA 0.702 5.252 4.550 -0.000 0.000 0.339 1462 Y C -1.434 174.514 175.900 0.079 0.000 1.226 1462 Y CA -1.419 56.740 58.100 0.098 0.000 1.072 1462 Y CB 0.869 39.617 38.460 0.479 0.000 1.331 1462 Y HN -0.118 nan 8.280 nan 0.000 0.453 1463 T N 1.894 116.568 114.554 0.201 0.000 2.876 1463 T HA 0.657 5.007 4.350 -0.000 0.000 0.289 1463 T C -1.518 173.226 174.700 0.075 0.000 1.014 1463 T CA -0.712 61.392 62.100 0.007 0.000 0.986 1463 T CB 1.776 70.618 68.868 -0.043 0.000 1.021 1463 T HN 0.622 nan 8.240 nan 0.000 0.458 1464 V N 3.984 123.834 119.914 -0.106 0.000 2.409 1464 V HA 0.538 4.658 4.120 -0.000 0.000 0.291 1464 V C -0.098 175.802 176.094 -0.323 0.000 1.020 1464 V CA -0.899 61.208 62.300 -0.321 0.000 0.848 1464 V CB 1.426 33.005 31.823 -0.408 0.000 0.990 1464 V HN 0.701 nan 8.190 nan 0.000 0.430 1465 R N 2.453 122.738 120.500 -0.359 0.000 2.387 1465 R HA 0.656 4.996 4.340 -0.000 0.000 0.314 1465 R C -0.706 175.307 176.300 -0.480 0.000 0.958 1465 R CA -0.539 55.288 56.100 -0.456 0.000 0.846 1465 R CB 2.103 32.072 30.300 -0.552 0.000 1.147 1465 R HN 0.637 nan 8.270 nan 0.000 0.447 1466 T N 4.055 118.307 114.554 -0.504 0.000 2.758 1466 T HA 0.475 4.825 4.350 -0.000 0.000 0.285 1466 T C -0.670 173.788 174.700 -0.403 0.000 0.981 1466 T CA -0.273 61.651 62.100 -0.294 0.000 0.965 1466 T CB 0.353 69.131 68.868 -0.151 0.000 0.927 1466 T HN 0.225 nan 8.240 nan 0.000 0.448 1467 F N 1.169 121.136 119.950 0.028 0.000 2.575 1467 F HA 0.776 5.303 4.527 -0.000 0.000 0.330 1467 F C 0.392 176.207 175.800 0.025 0.000 1.056 1467 F CA -1.286 56.732 58.000 0.030 0.000 0.964 1467 F CB 1.367 40.390 39.000 0.038 0.000 1.258 1467 F HN 0.552 nan 8.300 nan 0.000 0.484 1468 A N 2.049 125.008 122.820 0.232 0.000 2.355 1468 A HA 0.858 5.178 4.320 -0.000 0.000 0.317 1468 A C -1.336 176.307 177.584 0.099 0.000 1.094 1468 A CA -0.607 51.505 52.037 0.125 0.000 0.764 1468 A CB 0.860 19.939 19.000 0.133 0.000 1.230 1468 A HN 0.731 nan 8.150 nan 0.000 0.448 1469 L N 2.001 123.238 121.223 0.022 0.000 2.346 1469 L HA 0.641 4.981 4.340 -0.000 0.000 0.274 1469 L C -0.933 175.922 176.870 -0.026 0.000 1.007 1469 L CA -0.711 54.179 54.840 0.083 0.000 0.818 1469 L CB 2.146 44.369 42.059 0.273 0.000 1.284 1469 L HN 0.879 nan 8.230 nan 0.000 0.424 1470 H N 0.816 119.916 119.070 0.051 0.000 2.865 1470 H HA 0.335 4.891 4.556 -0.000 0.000 0.362 1470 H C -1.123 173.938 175.328 -0.444 0.000 1.114 1470 H CA -0.742 55.252 56.048 -0.090 0.000 1.208 1470 H CB 2.351 32.082 29.762 -0.052 0.000 1.727 1470 H HN 0.316 nan 8.280 nan 0.000 0.534 1471 K N 2.346 122.329 120.400 -0.696 0.000 2.316 1471 K HA 0.278 4.598 4.320 -0.000 0.000 0.267 1471 K C -0.316 176.076 176.600 -0.346 0.000 1.025 1471 K CA -0.606 55.213 56.287 -0.780 0.000 0.896 1471 K CB 0.644 32.290 32.500 -1.422 0.000 1.124 1471 K HN 0.787 nan 8.250 nan 0.000 0.451 1472 S N 2.486 118.053 115.700 -0.220 0.000 2.593 1472 S HA 0.160 4.630 4.470 -0.000 0.000 0.300 1472 S C 1.028 175.563 174.600 -0.108 0.000 1.267 1472 S CA 0.489 58.613 58.200 -0.127 0.000 1.065 1472 S CB 0.607 63.747 63.200 -0.099 0.000 0.807 1472 S HN 0.976 nan 8.310 nan 0.000 0.499 1473 G N 0.891 109.652 108.800 -0.065 0.000 2.184 1473 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.206 1473 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.206 1473 G C 0.061 174.952 174.900 -0.016 0.000 0.995 1473 G CA 0.171 45.248 45.100 -0.040 0.000 0.651 1473 G HN 1.732 nan 8.290 nan 0.000 0.511 1474 S N -0.943 114.749 115.700 -0.012 0.000 2.618 1474 S HA 0.737 5.207 4.470 -0.000 0.000 0.277 1474 S C 1.334 175.980 174.600 0.076 0.000 1.138 1474 S CA 0.920 59.145 58.200 0.043 0.000 0.844 1474 S CB 1.608 64.855 63.200 0.078 0.000 1.127 1474 S HN 1.086 nan 8.310 nan 0.000 0.474 1475 S N 1.034 116.797 115.700 0.104 0.000 2.458 1475 S HA 0.164 4.634 4.470 -0.000 0.000 0.223 1475 S C 0.654 175.362 174.600 0.180 0.000 1.019 1475 S CA -0.057 58.216 58.200 0.123 0.000 0.937 1475 S CB -0.588 62.665 63.200 0.089 0.000 0.788 1475 S HN 0.834 nan 8.310 nan 0.000 0.511 1476 E N 2.418 122.741 120.200 0.204 0.000 2.568 1476 E HA -0.028 4.321 4.350 -0.000 0.000 0.262 1476 E C -0.305 176.445 176.600 0.250 0.000 0.961 1476 E CA 0.342 56.881 56.400 0.231 0.000 0.945 1476 E CB 0.364 30.244 29.700 0.300 0.000 0.924 1476 E HN 0.310 nan 8.360 nan 0.000 0.467 1477 K N 4.730 125.177 120.400 0.079 0.000 2.376 1477 K HA 0.360 4.680 4.320 -0.000 0.000 0.257 1477 K C -0.927 175.622 176.600 -0.085 0.000 0.939 1477 K CA -0.638 55.553 56.287 -0.161 0.000 0.809 1477 K CB 0.987 33.387 32.500 -0.166 0.000 1.121 1477 K HN 0.451 nan 8.250 nan 0.000 0.425 1478 R N 2.227 122.684 120.500 -0.072 0.000 2.854 1478 R HA 0.312 4.652 4.340 -0.000 0.000 0.271 1478 R C -0.753 175.542 176.300 -0.008 0.000 0.996 1478 R CA -0.947 55.110 56.100 -0.073 0.000 0.961 1478 R CB 2.003 32.187 30.300 -0.194 0.000 1.182 1478 R HN 0.582 nan 8.270 nan 0.000 0.479 1479 E N 1.905 122.112 120.200 0.012 0.000 2.191 1479 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 1479 E C -1.166 175.505 176.600 0.119 0.000 0.972 1479 E CA -0.631 55.811 56.400 0.070 0.000 0.804 1479 E CB 1.791 31.525 29.700 0.056 0.000 1.110 1479 E HN 0.092 nan 8.360 nan 0.000 0.394 1480 L N 3.577 124.926 121.223 0.209 0.000 2.410 1480 L HA 0.486 4.826 4.340 -0.000 0.000 0.270 1480 L C -1.209 175.883 176.870 0.370 0.000 0.983 1480 L CA -0.514 54.499 54.840 0.288 0.000 0.822 1480 L CB 1.710 43.982 42.059 0.355 0.000 1.285 1480 L HN 0.572 nan 8.230 nan 0.000 0.409 1481 R N 3.327 124.017 120.500 0.317 0.000 2.437 1481 R HA 0.390 4.730 4.340 -0.000 0.000 0.310 1481 R C -0.766 175.722 176.300 0.314 0.000 0.955 1481 R CA -0.422 55.832 56.100 0.257 0.000 0.851 1481 R CB 2.016 32.453 30.300 0.228 0.000 1.161 1481 R HN 0.594 nan 8.270 nan 0.000 0.446 1482 Q N 4.017 123.955 119.800 0.229 0.000 2.307 1482 Q HA 0.291 4.631 4.340 -0.000 0.000 0.262 1482 Q C -1.432 174.579 176.000 0.017 0.000 0.961 1482 Q CA -0.483 55.462 55.803 0.236 0.000 0.882 1482 Q CB 0.933 29.836 28.738 0.274 0.000 1.264 1482 Q HN 0.436 nan 8.270 nan 0.000 0.446 1483 F N 2.622 122.652 119.950 0.132 0.000 2.402 1483 F HA 0.267 4.793 4.527 -0.000 0.000 0.355 1483 F C 0.155 176.162 175.800 0.346 0.000 1.123 1483 F CA -0.563 57.569 58.000 0.219 0.000 1.021 1483 F CB 1.785 40.795 39.000 0.016 0.000 1.160 1483 F HN 0.468 nan 8.300 nan 0.000 0.451 1484 Q N 4.508 124.571 119.800 0.438 0.000 2.347 1484 Q HA 0.329 4.669 4.340 -0.000 0.000 0.262 1484 Q C -1.366 174.811 176.000 0.294 0.000 0.980 1484 Q CA -0.760 55.208 55.803 0.273 0.000 0.867 1484 Q CB 0.919 29.702 28.738 0.075 0.000 1.242 1484 Q HN 0.574 nan 8.270 nan 0.000 0.453 1485 F N 5.312 125.176 119.950 -0.144 0.000 2.472 1485 F HA 0.162 4.689 4.527 -0.000 0.000 0.364 1485 F C 0.341 176.071 175.800 -0.116 0.000 1.090 1485 F CA -0.047 57.696 58.000 -0.428 0.000 1.188 1485 F CB 0.843 39.338 39.000 -0.841 0.000 1.105 1485 F HN 0.703 nan 8.300 nan 0.000 0.536 1486 M N 5.305 124.578 119.600 -0.544 0.000 2.333 1486 M HA 0.254 4.734 4.480 -0.000 0.000 0.257 1486 M C 1.096 177.075 176.300 -0.535 0.000 1.078 1486 M CA 0.342 55.411 55.300 -0.386 0.000 1.005 1486 M CB -0.374 32.102 32.600 -0.207 0.000 1.444 1486 M HN 0.666 nan 8.290 nan 0.000 0.496 1487 A N -0.367 121.760 122.820 -1.156 0.000 2.684 1487 A HA 0.140 4.460 4.320 -0.000 0.000 0.288 1487 A C -0.296 177.125 177.584 -0.272 0.000 1.337 1487 A CA -0.435 51.178 52.037 -0.705 0.000 0.946 1487 A CB -0.319 18.348 19.000 -0.556 0.000 1.093 1487 A HN 0.554 nan 8.150 nan 0.000 0.543 1488 W N 2.596 123.763 121.300 -0.222 0.000 2.433 1488 W HA 0.430 5.090 4.660 -0.000 0.000 0.315 1488 W C -2.700 173.782 176.519 -0.061 0.000 1.087 1488 W CA -2.514 54.860 57.345 0.047 0.000 1.205 1488 W CB 1.509 31.056 29.460 0.144 0.000 1.288 1488 W HN 0.158 nan 8.180 nan 0.000 0.504 1489 P HA 0.002 nan 4.420 nan 0.000 0.272 1489 P C 0.447 177.810 177.300 0.105 0.000 1.223 1489 P CA 0.270 63.359 63.100 -0.018 0.000 0.784 1489 P CB 1.378 33.000 31.700 -0.131 0.000 0.923 1490 D N -0.398 119.993 120.400 -0.015 0.000 2.104 1490 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 1490 D C 0.444 176.612 176.300 -0.220 0.000 0.994 1490 D CA 1.673 55.584 54.000 -0.148 0.000 0.830 1490 D CB -0.146 40.485 40.800 -0.283 0.000 0.959 1490 D HN 0.459 nan 8.370 nan 0.000 0.452 1491 H N -1.104 117.989 119.070 0.040 0.000 2.469 1491 H HA 0.504 5.060 4.556 -0.000 0.000 0.342 1491 H C 1.192 176.520 175.328 -0.000 0.000 1.115 1491 H CA 0.163 56.225 56.048 0.023 0.000 1.204 1491 H CB 1.381 31.141 29.762 -0.003 0.000 1.492 1491 H HN 0.211 nan 8.280 nan 0.000 0.499 1492 G N 1.093 109.982 108.800 0.148 0.000 2.698 1492 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.233 1492 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.233 1492 G C -0.110 174.760 174.900 -0.050 0.000 1.352 1492 G CA -0.117 45.002 45.100 0.032 0.000 0.879 1492 G HN 0.799 nan 8.290 nan 0.000 0.567 1493 V N -2.397 117.356 119.914 -0.268 0.000 3.096 1493 V HA 0.868 4.988 4.120 -0.000 0.000 0.319 1493 V C -2.055 173.503 176.094 -0.894 0.000 1.082 1493 V CA -1.668 60.169 62.300 -0.771 0.000 1.022 1493 V CB 1.531 32.915 31.823 -0.732 0.000 1.103 1493 V HN 0.828 nan 8.190 nan 0.000 0.455 1494 P HA 0.189 nan 4.420 nan 0.000 0.269 1494 P C 0.709 177.810 177.300 -0.332 0.000 1.209 1494 P CA 0.012 62.693 63.100 -0.699 0.000 0.776 1494 P CB 0.524 31.857 31.700 -0.611 0.000 0.876 1495 E N 1.179 121.230 120.200 -0.248 0.000 2.013 1495 E HA -0.183 4.167 4.350 -0.000 0.000 0.202 1495 E C -0.005 176.324 176.600 -0.452 0.000 1.018 1495 E CA 1.898 58.048 56.400 -0.417 0.000 0.834 1495 E CB -0.251 29.121 29.700 -0.546 0.000 0.770 1495 E HN 0.515 nan 8.360 nan 0.000 0.459 1496 Y N -1.208 119.131 120.300 0.065 0.000 2.528 1496 Y HA 0.224 4.774 4.550 -0.000 0.000 0.335 1496 Y C -1.684 174.317 175.900 0.169 0.000 1.093 1496 Y CA -2.514 55.639 58.100 0.088 0.000 1.134 1496 Y CB 0.644 39.130 38.460 0.042 0.000 1.253 1496 Y HN -0.025 nan 8.280 nan 0.000 0.478 1497 P HA 0.020 nan 4.420 nan 0.000 0.251 1497 P C 0.877 178.256 177.300 0.132 0.000 1.223 1497 P CA 0.732 63.875 63.100 0.072 0.000 0.796 1497 P CB 0.173 31.711 31.700 -0.270 0.000 1.068 1498 T N 1.425 116.081 114.554 0.171 0.000 2.635 1498 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 1498 T C -0.648 174.176 174.700 0.206 0.000 1.040 1498 T CA 2.315 64.509 62.100 0.158 0.000 1.156 1498 T CB -1.974 66.966 68.868 0.120 0.000 0.863 1498 T HN 0.257 nan 8.240 nan 0.000 0.430 1499 P HA -0.000 nan 4.420 nan 0.000 0.215 1499 P C 1.685 179.231 177.300 0.409 0.000 1.157 1499 P CA 0.612 63.929 63.100 0.361 0.000 0.868 1499 P CB -0.173 31.766 31.700 0.399 0.000 0.788 1500 I N -1.447 119.301 120.570 0.296 0.000 2.394 1500 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 1500 I C 2.033 178.230 176.117 0.135 0.000 1.136 1500 I CA 1.309 62.644 61.300 0.058 0.000 1.425 1500 I CB -0.629 37.394 38.000 0.038 0.000 1.079 1500 I HN -0.201 nan 8.210 nan 0.000 0.425 1501 L N 0.288 121.582 121.223 0.118 0.000 2.046 1501 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 1501 L C 2.713 179.638 176.870 0.092 0.000 1.077 1501 L CA 1.377 56.251 54.840 0.056 0.000 0.747 1501 L CB -0.927 41.157 42.059 0.042 0.000 0.896 1501 L HN 0.350 nan 8.230 nan 0.000 0.432 1502 A N -0.192 122.735 122.820 0.178 0.000 1.877 1502 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 1502 A C 2.160 179.842 177.584 0.163 0.000 1.186 1502 A CA 1.535 53.694 52.037 0.203 0.000 0.620 1502 A CB -0.869 18.300 19.000 0.280 0.000 0.822 1502 A HN 0.395 nan 8.150 nan 0.000 0.443 1503 F N 0.497 120.467 119.950 0.033 0.000 2.095 1503 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 1503 F C 1.903 177.642 175.800 -0.102 0.000 1.104 1503 F CA 1.898 59.831 58.000 -0.113 0.000 1.232 1503 F CB -0.385 38.617 39.000 0.004 0.000 0.987 1503 F HN 0.150 nan 8.300 nan 0.000 0.475 1504 L N -0.207 121.036 121.223 0.034 0.000 2.042 1504 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 1504 L C 2.621 179.359 176.870 -0.219 0.000 1.076 1504 L CA 1.455 56.212 54.840 -0.139 0.000 0.749 1504 L CB -0.562 41.374 42.059 -0.204 0.000 0.893 1504 L HN 0.012 nan 8.230 nan 0.000 0.432 1505 R N -0.296 120.111 120.500 -0.155 0.000 2.081 1505 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 1505 R C 2.344 178.561 176.300 -0.139 0.000 1.131 1505 R CA 1.419 57.434 56.100 -0.142 0.000 0.960 1505 R CB -0.385 29.889 30.300 -0.044 0.000 0.856 1505 R HN 0.131 nan 8.270 nan 0.000 0.436 1506 R N -0.331 120.063 120.500 -0.178 0.000 2.075 1506 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 1506 R C 1.887 177.930 176.300 -0.428 0.000 1.126 1506 R CA 1.355 57.344 56.100 -0.184 0.000 0.963 1506 R CB -0.593 29.624 30.300 -0.139 0.000 0.858 1506 R HN 0.073 nan 8.270 nan 0.000 0.435 1507 V N 1.053 120.522 119.914 -0.742 0.000 2.287 1507 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1507 V C 2.043 177.868 176.094 -0.448 0.000 1.053 1507 V CA 2.060 63.787 62.300 -0.955 0.000 1.027 1507 V CB -0.435 30.950 31.823 -0.730 0.000 0.646 1507 V HN 0.255 nan 8.190 nan 0.000 0.447 1508 K N 0.668 120.909 120.400 -0.266 0.000 2.057 1508 K HA -0.018 4.302 4.320 -0.000 0.000 0.207 1508 K C 2.169 178.712 176.600 -0.095 0.000 1.049 1508 K CA 1.526 57.728 56.287 -0.140 0.000 0.931 1508 K CB -1.037 31.390 32.500 -0.122 0.000 0.714 1508 K HN 0.472 nan 8.250 nan 0.000 0.440 1509 A N -0.238 122.530 122.820 -0.086 0.000 1.969 1509 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 1509 A C 2.082 179.672 177.584 0.011 0.000 1.169 1509 A CA 1.589 53.618 52.037 -0.014 0.000 0.635 1509 A CB -0.711 18.305 19.000 0.027 0.000 0.810 1509 A HN 0.409 nan 8.150 nan 0.000 0.445 1510 C N -0.283 119.012 119.300 -0.009 0.000 2.799 1510 C HA 0.172 4.631 4.460 -0.000 0.000 0.267 1510 C C 1.076 176.106 174.990 0.067 0.000 1.257 1510 C CA -0.674 58.394 59.018 0.084 0.000 1.702 1510 C CB -1.713 26.195 27.740 0.280 0.000 1.934 1510 C HN 0.603 nan 8.230 nan 0.000 0.594 1511 N N 2.691 121.388 118.700 -0.006 0.000 2.402 1511 N HA 0.148 4.888 4.740 -0.000 0.000 0.252 1511 N C -2.353 173.166 175.510 0.015 0.000 1.118 1511 N CA -0.852 52.204 53.050 0.011 0.000 0.945 1511 N CB 0.936 39.411 38.487 -0.020 0.000 1.147 1511 N HN 0.241 nan 8.380 nan 0.000 0.495 1512 P HA -0.106 nan 4.420 nan 0.000 0.269 1512 P C 1.193 178.493 177.300 0.000 0.000 1.211 1512 P CA -0.170 62.940 63.100 0.016 0.000 0.781 1512 P CB 1.145 32.855 31.700 0.016 0.000 0.877 1513 L N 0.884 122.106 121.223 -0.002 0.000 2.201 1513 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 1513 L C 1.243 178.102 176.870 -0.019 0.000 1.105 1513 L CA 1.876 56.710 54.840 -0.009 0.000 0.775 1513 L CB -0.561 41.495 42.059 -0.004 0.000 0.913 1513 L HN 0.509 nan 8.230 nan 0.000 0.440 1514 D N -1.105 119.283 120.400 -0.021 0.000 2.424 1514 D HA 0.109 4.749 4.640 -0.000 0.000 0.220 1514 D C 0.579 176.855 176.300 -0.039 0.000 1.150 1514 D CA -0.189 53.792 54.000 -0.031 0.000 0.831 1514 D CB 0.054 40.835 40.800 -0.031 0.000 0.981 1514 D HN 0.010 nan 8.370 nan 0.000 0.500 1515 A N 0.305 123.105 122.820 -0.033 0.000 2.407 1515 A HA 0.594 4.914 4.320 -0.000 0.000 0.248 1515 A C 1.069 178.628 177.584 -0.043 0.000 1.082 1515 A CA -0.004 52.013 52.037 -0.034 0.000 0.785 1515 A CB 0.329 19.322 19.000 -0.012 0.000 1.020 1515 A HN 0.259 nan 8.150 nan 0.000 0.489 1516 G N 0.594 109.366 108.800 -0.046 0.000 2.553 1516 G HA2 0.502 4.462 3.960 -0.000 0.000 0.278 1516 G HA3 0.502 4.462 3.960 -0.000 0.000 0.278 1516 G C -2.404 172.479 174.900 -0.027 0.000 1.349 1516 G CA -1.101 43.975 45.100 -0.041 0.000 1.037 1516 G HN 0.636 nan 8.290 nan 0.000 0.508 1517 P HA 0.056 nan 4.420 nan 0.000 0.268 1517 P C -0.020 177.299 177.300 0.033 0.000 1.204 1517 P CA 0.288 63.391 63.100 0.005 0.000 0.768 1517 P CB 0.563 32.304 31.700 0.068 0.000 0.842 1518 M N 2.336 121.976 119.600 0.068 0.000 2.248 1518 M HA 0.115 4.595 4.480 -0.000 0.000 0.337 1518 M C 0.599 176.961 176.300 0.104 0.000 1.121 1518 M CA -0.216 55.145 55.300 0.101 0.000 1.155 1518 M CB 0.697 33.400 32.600 0.173 0.000 1.514 1518 M HN 0.191 nan 8.290 nan 0.000 0.452 1519 V N 3.198 123.141 119.914 0.049 0.000 2.370 1519 V HA 0.629 4.749 4.120 -0.000 0.000 0.279 1519 V C -0.643 175.491 176.094 0.067 0.000 1.029 1519 V CA -0.593 61.720 62.300 0.022 0.000 0.870 1519 V CB 1.367 33.122 31.823 -0.113 0.000 0.984 1519 V HN 0.602 nan 8.190 nan 0.000 0.451 1520 V N 6.727 126.675 119.914 0.055 0.000 2.581 1520 V HA 0.778 4.898 4.120 -0.000 0.000 0.303 1520 V C -0.291 175.836 176.094 0.054 0.000 1.041 1520 V CA -0.139 62.148 62.300 -0.022 0.000 0.907 1520 V CB 1.433 33.206 31.823 -0.083 0.000 0.994 1520 V HN 1.382 nan 8.190 nan 0.000 0.442 1521 H N 1.457 120.488 119.070 -0.064 0.000 3.042 1521 H HA 0.767 5.323 4.556 -0.000 0.000 0.346 1521 H C -0.301 174.984 175.328 -0.071 0.000 1.294 1521 H CA -0.179 55.833 56.048 -0.061 0.000 1.141 1521 H CB 1.228 30.958 29.762 -0.054 0.000 1.872 1521 H HN 0.761 nan 8.280 nan 0.000 0.541 1522 C N 0.052 119.362 119.300 0.017 0.000 3.382 1522 C HA 0.637 5.097 4.460 -0.000 0.000 0.082 1522 C C 1.755 176.815 174.990 0.116 0.000 2.409 1522 C CA 0.538 59.526 59.018 -0.050 0.000 1.501 1522 C CB 0.854 28.500 27.740 -0.156 0.000 2.575 1522 C HN 0.772 nan 8.230 nan 0.000 0.439 1523 S N 0.278 116.016 115.700 0.062 0.000 2.541 1523 S HA 0.378 4.848 4.470 -0.000 0.000 0.219 1523 S C 1.865 176.600 174.600 0.225 0.000 1.025 1523 S CA 1.009 59.293 58.200 0.140 0.000 0.917 1523 S CB -0.565 62.722 63.200 0.144 0.000 0.859 1523 S HN 1.008 nan 8.310 nan 0.000 0.584 1524 A N -0.167 122.771 122.820 0.197 0.000 2.178 1524 A HA 0.498 4.818 4.320 -0.000 0.000 0.211 1524 A C 1.478 179.112 177.584 0.083 0.000 1.157 1524 A CA 0.918 53.086 52.037 0.219 0.000 0.780 1524 A CB -0.807 18.204 19.000 0.017 0.000 0.828 1524 A HN 1.362 nan 8.150 nan 0.000 0.476 1525 G N -0.995 107.830 108.800 0.041 0.000 2.198 1525 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.257 1525 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.257 1525 G C 0.824 175.713 174.900 -0.018 0.000 1.042 1525 G CA 0.971 46.077 45.100 0.009 0.000 0.791 1525 G HN 1.630 nan 8.290 nan 0.000 0.502 1526 V N -4.374 115.530 119.914 -0.017 0.000 3.251 1526 V HA 0.634 4.753 4.120 -0.000 0.000 0.239 1526 V C 2.106 178.199 176.094 -0.003 0.000 1.332 1526 V CA 1.491 63.791 62.300 -0.001 0.000 1.224 1526 V CB -0.458 31.398 31.823 0.055 0.000 1.004 1526 V HN 0.865 nan 8.190 nan 0.000 0.464 1527 G N 1.148 109.920 108.800 -0.046 0.000 2.629 1527 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.213 1527 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.213 1527 G C 1.465 176.290 174.900 -0.124 0.000 1.425 1527 G CA 0.677 45.737 45.100 -0.066 0.000 0.929 1527 G HN 0.416 nan 8.290 nan 0.000 0.527 1528 R N -0.219 120.091 120.500 -0.316 0.000 2.139 1528 R HA -0.049 4.291 4.340 -0.000 0.000 0.243 1528 R C 2.790 178.962 176.300 -0.213 0.000 1.145 1528 R CA 1.739 57.532 56.100 -0.513 0.000 0.976 1528 R CB -0.700 29.067 30.300 -0.889 0.000 0.866 1528 R HN 0.323 nan 8.270 nan 0.000 0.449 1529 T N -0.176 114.291 114.554 -0.145 0.000 2.708 1529 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 1529 T C 1.935 176.643 174.700 0.015 0.000 1.037 1529 T CA 1.545 63.608 62.100 -0.061 0.000 1.146 1529 T CB -0.520 68.316 68.868 -0.054 0.000 0.865 1529 T HN 0.574 nan 8.240 nan 0.000 0.435 1530 G N 0.222 109.028 108.800 0.010 0.000 2.442 1530 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 1530 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 1530 G C 1.894 176.844 174.900 0.085 0.000 1.141 1530 G CA 1.111 46.240 45.100 0.047 0.000 0.763 1530 G HN 0.542 nan 8.290 nan 0.000 0.554 1531 C N -0.267 119.100 119.300 0.112 0.000 2.462 1531 C HA 0.038 4.498 4.460 -0.000 0.000 0.278 1531 C C 2.420 177.498 174.990 0.147 0.000 1.253 1531 C CA 0.688 59.815 59.018 0.181 0.000 1.713 1531 C CB -1.269 26.657 27.740 0.310 0.000 2.049 1531 C HN 0.473 nan 8.230 nan 0.000 0.477 1532 F N 1.813 121.765 119.950 0.002 0.000 2.126 1532 F HA -0.131 4.395 4.527 -0.000 0.000 0.299 1532 F C 2.112 177.842 175.800 -0.115 0.000 1.096 1532 F CA 1.659 59.642 58.000 -0.027 0.000 1.255 1532 F CB -0.415 38.565 39.000 -0.032 0.000 0.997 1532 F HN 0.171 nan 8.300 nan 0.000 0.479 1533 I N -0.766 119.824 120.570 0.034 0.000 2.202 1533 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 1533 I C 2.523 178.461 176.117 -0.298 0.000 1.091 1533 I CA 1.275 62.375 61.300 -0.333 0.000 1.368 1533 I CB -0.763 37.014 38.000 -0.371 0.000 1.058 1533 I HN 0.125 nan 8.210 nan 0.000 0.410 1534 V N 1.477 121.337 119.914 -0.089 0.000 2.427 1534 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 1534 V C 2.248 178.265 176.094 -0.127 0.000 1.051 1534 V CA 1.739 64.031 62.300 -0.013 0.000 1.048 1534 V CB -0.104 31.784 31.823 0.109 0.000 0.666 1534 V HN 0.267 nan 8.190 nan 0.000 0.456 1535 I N 0.159 120.633 120.570 -0.159 0.000 2.252 1535 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 1535 I C 2.280 178.238 176.117 -0.266 0.000 1.102 1535 I CA 2.179 63.356 61.300 -0.205 0.000 1.385 1535 I CB -0.459 37.422 38.000 -0.198 0.000 1.064 1535 I HN 0.399 nan 8.210 nan 0.000 0.414 1536 D N 0.883 121.059 120.400 -0.372 0.000 2.144 1536 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 1536 D C 2.161 178.392 176.300 -0.115 0.000 0.984 1536 D CA 1.407 55.217 54.000 -0.317 0.000 0.834 1536 D CB 0.137 40.686 40.800 -0.418 0.000 0.955 1536 D HN 0.304 nan 8.370 nan 0.000 0.465 1537 A N -0.106 122.665 122.820 -0.081 0.000 1.898 1537 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 1537 A C 2.064 179.560 177.584 -0.148 0.000 1.181 1537 A CA 1.082 53.102 52.037 -0.029 0.000 0.620 1537 A CB -0.395 18.518 19.000 -0.145 0.000 0.819 1537 A HN 0.200 nan 8.150 nan 0.000 0.442 1538 M N -0.915 118.560 119.600 -0.208 0.000 2.319 1538 M HA 0.011 4.491 4.480 -0.000 0.000 0.265 1538 M C 1.844 178.027 176.300 -0.196 0.000 1.068 1538 M CA 0.868 56.047 55.300 -0.202 0.000 1.118 1538 M CB -1.197 31.294 32.600 -0.181 0.000 1.395 1538 M HN 0.301 nan 8.290 nan 0.000 0.435 1539 L N 0.163 121.277 121.223 -0.182 0.000 2.056 1539 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 1539 L C 2.349 179.119 176.870 -0.166 0.000 1.078 1539 L CA 1.755 56.492 54.840 -0.172 0.000 0.749 1539 L CB -1.129 40.824 42.059 -0.178 0.000 0.901 1539 L HN 0.213 nan 8.230 nan 0.000 0.433 1540 E N -0.504 119.608 120.200 -0.147 0.000 2.204 1540 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 1540 E C 2.366 178.758 176.600 -0.346 0.000 0.990 1540 E CA 1.005 57.341 56.400 -0.107 0.000 0.821 1540 E CB 0.007 29.702 29.700 -0.008 0.000 0.750 1540 E HN 0.358 nan 8.360 nan 0.000 0.477 1541 R N 0.153 120.304 120.500 -0.583 0.000 2.055 1541 R HA -0.043 4.297 4.340 -0.000 0.000 0.226 1541 R C 2.300 178.336 176.300 -0.441 0.000 1.135 1541 R CA 1.679 57.201 56.100 -0.963 0.000 0.959 1541 R CB -0.334 29.596 30.300 -0.616 0.000 0.854 1541 R HN 0.286 nan 8.270 nan 0.000 0.431 1542 M N 0.716 120.160 119.600 -0.261 0.000 2.539 1542 M HA -0.048 4.432 4.480 -0.000 0.000 0.261 1542 M C 1.894 178.104 176.300 -0.150 0.000 1.069 1542 M CA 1.776 56.978 55.300 -0.164 0.000 1.081 1542 M CB -0.361 32.161 32.600 -0.130 0.000 1.412 1542 M HN 0.142 nan 8.290 nan 0.000 0.482 1543 K N 0.574 120.870 120.400 -0.174 0.000 2.137 1543 K HA -0.084 4.236 4.320 -0.000 0.000 0.202 1543 K C 1.016 177.460 176.600 -0.260 0.000 1.052 1543 K CA 1.334 57.503 56.287 -0.196 0.000 0.961 1543 K CB -0.106 32.277 32.500 -0.196 0.000 0.741 1543 K HN 0.403 nan 8.250 nan 0.000 0.452 1544 H N -0.002 118.951 119.070 -0.195 0.000 2.595 1544 H HA 0.200 4.756 4.556 -0.000 0.000 0.265 1544 H C 0.506 175.798 175.328 -0.059 0.000 0.953 1544 H CA 0.791 56.780 56.048 -0.099 0.000 1.197 1544 H CB 0.815 30.557 29.762 -0.033 0.000 1.438 1544 H HN 0.361 nan 8.280 nan 0.000 0.531 1545 E N 0.534 120.728 120.200 -0.009 0.000 2.676 1545 E HA 0.032 4.382 4.350 -0.000 0.000 0.225 1545 E C 0.143 176.732 176.600 -0.020 0.000 0.944 1545 E CA 0.140 56.548 56.400 0.014 0.000 1.156 1545 E CB 0.787 30.518 29.700 0.051 0.000 1.117 1545 E HN 0.343 nan 8.360 nan 0.000 0.523 1546 K N 1.343 121.710 120.400 -0.054 0.000 3.048 1546 K HA -0.238 4.082 4.320 -0.000 0.000 0.274 1546 K C -0.120 176.456 176.600 -0.041 0.000 1.098 1546 K CA 1.710 57.967 56.287 -0.050 0.000 0.807 1546 K CB -2.665 29.815 32.500 -0.034 0.000 1.217 1546 K HN 0.298 nan 8.250 nan 0.000 0.477 1547 T N -3.374 111.153 114.554 -0.044 0.000 2.718 1547 T HA 0.795 5.145 4.350 -0.000 0.000 0.267 1547 T C -0.258 174.414 174.700 -0.046 0.000 0.957 1547 T CA -0.315 61.770 62.100 -0.026 0.000 1.025 1547 T CB 2.455 71.327 68.868 0.006 0.000 1.355 1547 T HN 0.373 nan 8.240 nan 0.000 0.572 1548 V N 0.652 120.554 119.914 -0.020 0.000 2.915 1548 V HA 0.453 4.573 4.120 -0.000 0.000 0.273 1548 V C -2.083 174.020 176.094 0.015 0.000 1.538 1548 V CA -0.691 61.590 62.300 -0.031 0.000 0.946 1548 V CB 2.203 33.986 31.823 -0.067 0.000 1.183 1548 V HN 1.167 nan 8.190 nan 0.000 0.446 1549 D N 4.548 124.975 120.400 0.046 0.000 2.513 1549 D HA 0.406 5.046 4.640 -0.000 0.000 0.295 1549 D C 0.867 177.260 176.300 0.155 0.000 1.202 1549 D CA -0.268 53.801 54.000 0.116 0.000 0.849 1549 D CB 0.731 41.621 40.800 0.150 0.000 1.116 1549 D HN 0.399 nan 8.370 nan 0.000 0.502 1550 I N 0.995 121.627 120.570 0.104 0.000 2.208 1550 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 1550 I C 1.922 178.236 176.117 0.329 0.000 1.097 1550 I CA 0.986 62.353 61.300 0.112 0.000 1.363 1550 I CB -0.328 37.563 38.000 -0.181 0.000 1.051 1550 I HN 0.357 nan 8.210 nan 0.000 0.413 1551 Y N 1.654 122.134 120.300 0.300 0.000 2.145 1551 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 1551 Y C 2.477 178.525 175.900 0.248 0.000 1.145 1551 Y CA 1.782 60.100 58.100 0.364 0.000 1.148 1551 Y CB -0.737 37.913 38.460 0.317 0.000 0.981 1551 Y HN 0.100 nan 8.280 nan 0.000 0.507 1552 G N -1.853 107.174 108.800 0.379 0.000 2.422 1552 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 1552 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 1552 G C 1.321 176.317 174.900 0.161 0.000 1.146 1552 G CA 1.217 46.465 45.100 0.247 0.000 0.769 1552 G HN 0.531 nan 8.290 nan 0.000 0.547 1553 H N -0.354 118.787 119.070 0.118 0.000 2.395 1553 H HA 0.078 4.634 4.556 -0.000 0.000 0.299 1553 H C 2.630 178.004 175.328 0.077 0.000 1.070 1553 H CA 1.161 57.268 56.048 0.098 0.000 1.356 1553 H CB 0.053 29.875 29.762 0.099 0.000 1.401 1553 H HN 0.126 nan 8.280 nan 0.000 0.524 1554 V N -0.365 119.633 119.914 0.140 0.000 2.407 1554 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 1554 V C 2.245 178.313 176.094 -0.043 0.000 1.055 1554 V CA 2.194 64.542 62.300 0.081 0.000 1.049 1554 V CB -0.657 31.271 31.823 0.175 0.000 0.662 1554 V HN 0.522 nan 8.190 nan 0.000 0.455 1555 T N -0.765 113.723 114.554 -0.110 0.000 2.821 1555 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 1555 T C 1.979 176.648 174.700 -0.052 0.000 1.046 1555 T CA 1.764 63.786 62.100 -0.130 0.000 1.139 1555 T CB -0.500 68.258 68.868 -0.183 0.000 0.871 1555 T HN 0.759 nan 8.240 nan 0.000 0.454 1556 C N 1.227 120.483 119.300 -0.074 0.000 2.457 1556 C HA 0.147 4.607 4.460 -0.000 0.000 0.278 1556 C C 2.577 177.516 174.990 -0.085 0.000 1.309 1556 C CA 0.108 59.079 59.018 -0.078 0.000 1.735 1556 C CB -1.273 26.374 27.740 -0.155 0.000 1.992 1556 C HN 0.483 nan 8.230 nan 0.000 0.493 1557 M N 0.629 120.149 119.600 -0.133 0.000 2.086 1557 M HA -0.077 4.403 4.480 -0.000 0.000 0.261 1557 M C 2.593 178.879 176.300 -0.025 0.000 1.067 1557 M CA 1.599 56.853 55.300 -0.076 0.000 1.116 1557 M CB -0.555 32.017 32.600 -0.045 0.000 1.348 1557 M HN 0.363 nan 8.290 nan 0.000 0.407 1558 R N 0.114 120.607 120.500 -0.012 0.000 2.152 1558 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 1558 R C 2.253 178.591 176.300 0.064 0.000 1.117 1558 R CA 1.746 57.852 56.100 0.010 0.000 0.981 1558 R CB -0.940 29.367 30.300 0.012 0.000 0.870 1558 R HN 0.484 nan 8.270 nan 0.000 0.451 1559 S N -0.140 115.618 115.700 0.096 0.000 2.561 1559 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 1559 S C 1.581 176.285 174.600 0.174 0.000 0.977 1559 S CA 0.520 58.834 58.200 0.191 0.000 0.926 1559 S CB 0.240 63.573 63.200 0.222 0.000 0.769 1559 S HN 0.347 nan 8.310 nan 0.000 0.533 1560 Q N -0.276 119.586 119.800 0.105 0.000 2.353 1560 Q HA 0.403 4.743 4.340 -0.000 0.000 0.240 1560 Q C 0.515 176.507 176.000 -0.012 0.000 0.868 1560 Q CA -0.029 55.812 55.803 0.064 0.000 0.944 1560 Q CB 0.768 29.514 28.738 0.014 0.000 1.104 1560 Q HN 0.504 nan 8.270 nan 0.000 0.531 1561 R N 0.101 120.537 120.500 -0.107 0.000 2.634 1561 R HA 0.196 4.536 4.340 -0.000 0.000 0.263 1561 R C -1.562 174.449 176.300 -0.483 0.000 1.060 1561 R CA -0.701 55.149 56.100 -0.416 0.000 0.898 1561 R CB 0.973 31.102 30.300 -0.284 0.000 1.253 1561 R HN -0.081 nan 8.270 nan 0.000 0.461 1562 N N 3.180 121.384 118.700 -0.827 0.000 2.256 1562 N HA -0.103 4.637 4.740 -0.000 0.000 0.277 1562 N C -0.747 174.450 175.510 -0.522 0.000 1.362 1562 N CA 1.196 53.704 53.050 -0.904 0.000 0.861 1562 N CB -0.280 37.711 38.487 -0.828 0.000 1.136 1562 N HN 0.545 nan 8.380 nan 0.000 0.492 1563 Y N -1.144 119.090 120.300 -0.111 0.000 3.396 1563 Y HA -0.293 4.256 4.550 -0.000 0.000 0.214 1563 Y C 0.371 176.249 175.900 -0.038 0.000 1.203 1563 Y CA -0.143 57.919 58.100 -0.063 0.000 1.401 1563 Y CB -2.135 36.286 38.460 -0.066 0.000 1.409 1563 Y HN 0.449 nan 8.280 nan 0.000 0.594 1564 M N 0.034 119.666 119.600 0.054 0.000 2.261 1564 M HA 0.150 4.630 4.480 -0.000 0.000 0.350 1564 M C 0.956 177.331 176.300 0.124 0.000 1.343 1564 M CA 0.080 55.416 55.300 0.059 0.000 1.003 1564 M CB -0.215 32.400 32.600 0.024 0.000 1.848 1564 M HN 0.319 nan 8.290 nan 0.000 0.456 1565 V N 4.056 124.052 119.914 0.138 0.000 5.198 1565 V HA -0.240 3.880 4.120 -0.000 0.000 0.348 1565 V C 1.242 177.481 176.094 0.241 0.000 0.661 1565 V CA 1.110 63.533 62.300 0.204 0.000 1.358 1565 V CB -1.796 30.209 31.823 0.302 0.000 1.628 1565 V HN 1.058 nan 8.190 nan 0.000 0.466 1566 Q N 1.708 121.606 119.800 0.163 0.000 2.403 1566 Q HA 0.145 4.484 4.340 -0.000 0.000 0.203 1566 Q C 0.687 176.782 176.000 0.158 0.000 0.932 1566 Q CA 0.917 56.808 55.803 0.147 0.000 0.945 1566 Q CB 0.795 29.549 28.738 0.027 0.000 1.045 1566 Q HN 1.113 nan 8.270 nan 0.000 0.511 1567 T N -3.933 110.690 114.554 0.115 0.000 2.906 1567 T HA 0.230 4.580 4.350 -0.000 0.000 0.295 1567 T C 0.339 174.809 174.700 -0.383 0.000 1.061 1567 T CA -0.790 61.294 62.100 -0.026 0.000 1.000 1567 T CB 1.959 70.812 68.868 -0.026 0.000 1.103 1567 T HN 0.176 nan 8.240 nan 0.000 0.486 1568 E N 0.614 120.426 120.200 -0.648 0.000 2.110 1568 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 1568 E C 0.986 177.309 176.600 -0.462 0.000 0.988 1568 E CA 1.818 57.631 56.400 -0.979 0.000 0.804 1568 E CB -0.052 29.325 29.700 -0.540 0.000 0.745 1568 E HN 0.753 nan 8.360 nan 0.000 0.458 1569 D N 0.407 120.653 120.400 -0.257 0.000 2.178 1569 D HA -0.198 4.441 4.640 -0.000 0.000 0.201 1569 D C 1.816 178.085 176.300 -0.050 0.000 0.980 1569 D CA 0.875 54.784 54.000 -0.151 0.000 0.842 1569 D CB -0.412 40.333 40.800 -0.091 0.000 0.948 1569 D HN 0.346 nan 8.370 nan 0.000 0.472 1570 Q N -0.835 118.967 119.800 0.003 0.000 2.172 1570 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 1570 Q C 1.849 177.972 176.000 0.205 0.000 0.964 1570 Q CA 0.592 56.495 55.803 0.167 0.000 0.855 1570 Q CB -0.115 28.733 28.738 0.183 0.000 0.918 1570 Q HN 0.316 nan 8.270 nan 0.000 0.444 1571 Y N 0.240 120.493 120.300 -0.079 0.000 2.293 1571 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 1571 Y C 1.873 177.788 175.900 0.025 0.000 1.137 1571 Y CA 0.860 58.962 58.100 0.005 0.000 1.202 1571 Y CB 0.053 38.432 38.460 -0.135 0.000 0.990 1571 Y HN -0.149 nan 8.280 nan 0.000 0.537 1572 V N -0.591 119.176 119.914 -0.244 0.000 2.407 1572 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 1572 V C 2.116 178.199 176.094 -0.019 0.000 1.041 1572 V CA 1.722 63.782 62.300 -0.400 0.000 1.040 1572 V CB -1.021 30.474 31.823 -0.547 0.000 0.671 1572 V HN 0.425 nan 8.190 nan 0.000 0.455 1573 F N 0.936 120.829 119.950 -0.094 0.000 2.154 1573 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 1573 F C 2.050 177.843 175.800 -0.012 0.000 1.087 1573 F CA 1.689 59.657 58.000 -0.053 0.000 1.274 1573 F CB -0.281 38.688 39.000 -0.053 0.000 1.009 1573 F HN 0.077 nan 8.300 nan 0.000 0.485 1574 I N -0.710 119.872 120.570 0.021 0.000 2.361 1574 I HA -0.316 3.854 4.170 -0.000 0.000 0.251 1574 I C 2.123 178.117 176.117 -0.206 0.000 1.133 1574 I CA 1.417 62.653 61.300 -0.107 0.000 1.413 1574 I CB -0.587 37.399 38.000 -0.022 0.000 1.073 1574 I HN 0.145 nan 8.210 nan 0.000 0.424 1575 H N -0.009 118.968 119.070 -0.154 0.000 2.363 1575 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 1575 H C 2.188 177.456 175.328 -0.100 0.000 1.074 1575 H CA 1.287 57.286 56.048 -0.081 0.000 1.354 1575 H CB 0.081 29.895 29.762 0.088 0.000 1.397 1575 H HN 0.227 nan 8.280 nan 0.000 0.516 1576 E N 0.101 120.288 120.200 -0.022 0.000 2.051 1576 E HA -0.137 4.212 4.350 -0.000 0.000 0.192 1576 E C 2.313 178.791 176.600 -0.203 0.000 0.991 1576 E CA 1.024 57.366 56.400 -0.097 0.000 0.799 1576 E CB -0.077 29.549 29.700 -0.123 0.000 0.748 1576 E HN 0.487 nan 8.360 nan 0.000 0.449 1577 A N 0.363 122.946 122.820 -0.395 0.000 1.902 1577 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 1577 A C 2.104 179.556 177.584 -0.219 0.000 1.181 1577 A CA 1.126 52.929 52.037 -0.389 0.000 0.623 1577 A CB -0.555 18.090 19.000 -0.593 0.000 0.818 1577 A HN 0.218 nan 8.150 nan 0.000 0.443 1578 L N -0.999 120.103 121.223 -0.200 0.000 2.313 1578 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 1578 L C 2.406 179.215 176.870 -0.102 0.000 1.119 1578 L CA 0.536 55.284 54.840 -0.153 0.000 0.809 1578 L CB -0.308 41.646 42.059 -0.174 0.000 0.933 1578 L HN 0.480 nan 8.230 nan 0.000 0.449 1579 L N 0.076 121.250 121.223 -0.081 0.000 2.072 1579 L HA -0.170 4.170 4.340 -0.000 0.000 0.205 1579 L C 2.400 179.254 176.870 -0.028 0.000 1.079 1579 L CA 1.759 56.575 54.840 -0.040 0.000 0.752 1579 L CB -0.454 41.598 42.059 -0.012 0.000 0.906 1579 L HN 0.278 nan 8.230 nan 0.000 0.436 1580 E N -0.344 119.836 120.200 -0.032 0.000 2.106 1580 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 1580 E C 2.060 178.664 176.600 0.006 0.000 0.984 1580 E CA 1.037 57.439 56.400 0.003 0.000 0.806 1580 E CB -0.171 29.534 29.700 0.009 0.000 0.750 1580 E HN 0.591 nan 8.360 nan 0.000 0.458 1581 A N 1.252 124.055 122.820 -0.028 0.000 1.902 1581 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 1581 A C 2.393 179.958 177.584 -0.031 0.000 1.181 1581 A CA 1.758 53.777 52.037 -0.030 0.000 0.623 1581 A CB -0.725 18.230 19.000 -0.074 0.000 0.818 1581 A HN 0.423 nan 8.150 nan 0.000 0.443 1582 A N -1.310 121.485 122.820 -0.042 0.000 1.968 1582 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 1582 A C 2.246 179.814 177.584 -0.026 0.000 1.169 1582 A CA 2.069 54.082 52.037 -0.041 0.000 0.638 1582 A CB -0.901 18.072 19.000 -0.045 0.000 0.812 1582 A HN 0.421 nan 8.150 nan 0.000 0.446 1583 T N -1.304 113.244 114.554 -0.011 0.000 2.851 1583 T HA -0.105 4.245 4.350 -0.000 0.000 0.262 1583 T C 1.782 176.480 174.700 -0.004 0.000 1.043 1583 T CA 1.574 63.674 62.100 0.001 0.000 1.140 1583 T CB -0.383 68.499 68.868 0.022 0.000 0.872 1583 T HN 0.552 nan 8.240 nan 0.000 0.446 1584 C N 0.658 119.965 119.300 0.013 0.000 2.590 1584 C HA 0.548 5.008 4.460 -0.000 0.000 0.272 1584 C C 1.859 176.799 174.990 -0.083 0.000 1.338 1584 C CA -0.390 58.613 59.018 -0.025 0.000 1.746 1584 C CB -1.349 26.472 27.740 0.135 0.000 2.020 1584 C HN 0.849 nan 8.230 nan 0.000 0.531 1585 G N 0.219 109.004 108.800 -0.025 0.000 2.697 1585 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.240 1585 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.240 1585 G C -0.643 174.300 174.900 0.072 0.000 1.346 1585 G CA 0.049 45.145 45.100 -0.008 0.000 0.887 1585 G HN 0.566 nan 8.290 nan 0.000 0.569 1586 H N 0.743 119.781 119.070 -0.052 0.000 2.661 1586 H HA 0.582 5.138 4.556 -0.000 0.000 0.290 1586 H C 1.627 176.939 175.328 -0.027 0.000 1.082 1586 H CA 0.484 56.516 56.048 -0.026 0.000 1.234 1586 H CB 0.548 30.295 29.762 -0.026 0.000 1.387 1586 H HN 0.772 nan 8.280 nan 0.000 0.476 1587 T N 0.460 114.942 114.554 -0.120 0.000 3.219 1587 T HA 0.086 4.436 4.350 -0.000 0.000 0.249 1587 T C 0.669 175.260 174.700 -0.183 0.000 1.099 1587 T CA -0.412 61.615 62.100 -0.122 0.000 0.988 1587 T CB 0.029 68.866 68.868 -0.051 0.000 0.999 1587 T HN 0.578 nan 8.240 nan 0.000 0.550 1588 E N 0.732 120.663 120.200 -0.448 0.000 2.283 1588 E HA 0.486 4.835 4.350 -0.000 0.000 0.278 1588 E C -1.328 175.091 176.600 -0.302 0.000 1.027 1588 E CA -0.704 55.480 56.400 -0.360 0.000 0.843 1588 E CB 1.507 30.938 29.700 -0.447 0.000 1.062 1588 E HN 0.155 nan 8.360 nan 0.000 0.401 1589 V N 5.885 125.665 119.914 -0.223 0.000 2.656 1589 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 1589 V C -2.532 173.507 176.094 -0.092 0.000 1.051 1589 V CA -2.410 59.767 62.300 -0.204 0.000 0.893 1589 V CB 2.144 33.733 31.823 -0.389 0.000 0.999 1589 V HN 0.692 nan 8.190 nan 0.000 0.426 1590 P HA 0.198 nan 4.420 nan 0.000 0.271 1590 P C 0.510 177.814 177.300 0.007 0.000 1.218 1590 P CA 0.248 63.347 63.100 -0.002 0.000 0.780 1590 P CB 1.310 33.018 31.700 0.013 0.000 0.901 1591 A N 4.211 127.047 122.820 0.026 0.000 1.903 1591 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 1591 A C 2.175 179.777 177.584 0.029 0.000 1.191 1591 A CA 1.445 53.501 52.037 0.031 0.000 0.638 1591 A CB -1.046 17.983 19.000 0.049 0.000 0.823 1591 A HN 0.486 nan 8.150 nan 0.000 0.451 1592 R N -0.453 120.065 120.500 0.030 0.000 2.341 1592 R HA -0.066 4.274 4.340 -0.000 0.000 0.213 1592 R C 0.491 176.816 176.300 0.041 0.000 1.082 1592 R CA 1.340 57.458 56.100 0.029 0.000 1.017 1592 R CB -0.434 29.881 30.300 0.025 0.000 0.860 1592 R HN 0.721 nan 8.270 nan 0.000 0.473 1593 N N -0.622 118.104 118.700 0.044 0.000 2.184 1593 N HA -0.019 4.721 4.740 -0.000 0.000 0.206 1593 N C 0.956 176.520 175.510 0.090 0.000 1.151 1593 N CA -0.378 52.709 53.050 0.062 0.000 0.878 1593 N CB 0.418 38.927 38.487 0.037 0.000 1.014 1593 N HN -0.048 nan 8.380 nan 0.000 0.512 1594 L N 0.671 121.944 121.223 0.084 0.000 1.990 1594 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 1594 L C 1.927 178.863 176.870 0.110 0.000 1.072 1594 L CA 1.848 56.750 54.840 0.103 0.000 0.755 1594 L CB -0.954 41.157 42.059 0.087 0.000 0.889 1594 L HN 0.272 nan 8.230 nan 0.000 0.432 1595 Y N -0.002 120.303 120.300 0.009 0.000 2.053 1595 Y HA -0.331 4.219 4.550 -0.000 0.000 0.277 1595 Y C 2.393 178.284 175.900 -0.015 0.000 1.159 1595 Y CA 2.425 60.519 58.100 -0.011 0.000 1.125 1595 Y CB -0.658 37.790 38.460 -0.020 0.000 0.969 1595 Y HN 0.240 nan 8.280 nan 0.000 0.492 1596 A N -0.491 122.423 122.820 0.156 0.000 1.892 1596 A HA -0.325 3.994 4.320 -0.000 0.000 0.218 1596 A C 2.088 179.634 177.584 -0.063 0.000 1.188 1596 A CA 2.217 54.286 52.037 0.054 0.000 0.631 1596 A CB -1.518 17.553 19.000 0.117 0.000 0.822 1596 A HN 0.780 nan 8.150 nan 0.000 0.447 1597 H N -0.160 118.847 119.070 -0.106 0.000 2.319 1597 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 1597 H C 1.733 176.908 175.328 -0.255 0.000 1.092 1597 H CA 2.175 58.135 56.048 -0.147 0.000 1.302 1597 H CB -0.306 29.389 29.762 -0.112 0.000 1.373 1597 H HN 0.434 nan 8.280 nan 0.000 0.497 1598 I N 0.045 120.417 120.570 -0.329 0.000 2.361 1598 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 1598 I C 2.237 178.101 176.117 -0.422 0.000 1.133 1598 I CA 0.938 61.962 61.300 -0.460 0.000 1.413 1598 I CB -0.234 37.556 38.000 -0.349 0.000 1.073 1598 I HN 0.335 nan 8.210 nan 0.000 0.424 1599 Q N 0.867 120.416 119.800 -0.417 0.000 2.061 1599 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 1599 Q C 2.152 177.998 176.000 -0.256 0.000 0.984 1599 Q CA 1.608 57.204 55.803 -0.346 0.000 0.846 1599 Q CB -0.491 28.051 28.738 -0.327 0.000 0.902 1599 Q HN 0.439 nan 8.270 nan 0.000 0.421 1600 K N 0.329 120.574 120.400 -0.259 0.000 2.097 1600 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 1600 K C 1.943 178.394 176.600 -0.248 0.000 1.049 1600 K CA 0.846 57.001 56.287 -0.219 0.000 0.933 1600 K CB -0.188 32.191 32.500 -0.201 0.000 0.717 1600 K HN 0.218 nan 8.250 nan 0.000 0.442 1601 L N 0.517 121.520 121.223 -0.366 0.000 2.353 1601 L HA -0.082 4.258 4.340 -0.000 0.000 0.220 1601 L C 2.240 178.992 176.870 -0.197 0.000 1.133 1601 L CA 1.072 55.722 54.840 -0.316 0.000 0.798 1601 L CB -0.384 41.398 42.059 -0.461 0.000 0.922 1601 L HN 0.408 nan 8.230 nan 0.000 0.445 1602 G N -1.165 107.518 108.800 -0.194 0.000 2.985 1602 G HA2 0.035 3.995 3.960 -0.000 0.000 0.209 1602 G HA3 0.035 3.995 3.960 -0.000 0.000 0.209 1602 G C 0.585 175.426 174.900 -0.097 0.000 1.165 1602 G CA -0.198 44.822 45.100 -0.134 0.000 0.776 1602 G HN 0.326 nan 8.290 nan 0.000 0.541 1603 Q N -0.673 119.067 119.800 -0.100 0.000 2.240 1603 Q HA 0.550 4.890 4.340 -0.000 0.000 0.260 1603 Q C -0.935 175.031 176.000 -0.056 0.000 1.018 1603 Q CA -0.835 54.925 55.803 -0.072 0.000 0.898 1603 Q CB 2.771 31.465 28.738 -0.073 0.000 1.301 1603 Q HN -0.035 nan 8.270 nan 0.000 0.469 1604 V N 2.844 122.733 119.914 -0.040 0.000 2.385 1604 V HA 0.247 4.367 4.120 -0.000 0.000 0.269 1604 V C -2.065 174.012 176.094 -0.029 0.000 1.043 1604 V CA -1.531 60.751 62.300 -0.029 0.000 0.906 1604 V CB 0.488 32.298 31.823 -0.020 0.000 0.995 1604 V HN 0.660 nan 8.190 nan 0.000 0.467 1605 P HA 0.177 nan 4.420 nan 0.000 0.271 1605 P C -1.924 175.364 177.300 -0.020 0.000 1.233 1605 P CA -1.021 62.062 63.100 -0.027 0.000 0.789 1605 P CB -0.088 31.596 31.700 -0.026 0.000 0.951 1606 P HA -0.207 nan 4.420 nan 0.000 0.207 1606 P C 1.178 178.471 177.300 -0.012 0.000 1.115 1606 P CA 2.137 65.228 63.100 -0.015 0.000 0.956 1606 P CB -0.578 31.113 31.700 -0.015 0.000 0.774 1607 G N -0.681 108.112 108.800 -0.011 0.000 3.332 1607 G HA2 0.004 3.964 3.960 -0.000 0.000 0.242 1607 G HA3 0.004 3.964 3.960 -0.000 0.000 0.242 1607 G C 0.300 175.196 174.900 -0.007 0.000 1.276 1607 G CA 0.020 45.115 45.100 -0.008 0.000 0.988 1607 G HN 0.177 nan 8.290 nan 0.000 0.517 1608 E N -0.831 119.365 120.200 -0.007 0.000 2.264 1608 E HA 0.470 4.820 4.350 -0.000 0.000 0.260 1608 E C 0.240 176.838 176.600 -0.004 0.000 0.961 1608 E CA -0.648 55.749 56.400 -0.005 0.000 0.834 1608 E CB 1.788 31.485 29.700 -0.005 0.000 1.230 1608 E HN -0.021 nan 8.360 nan 0.000 0.412 1609 S N -0.562 115.139 115.700 0.000 0.000 2.527 1609 S HA 0.101 4.571 4.470 -0.000 0.000 0.227 1609 S C 0.827 175.428 174.600 0.002 0.000 1.059 1609 S CA 0.034 58.235 58.200 0.001 0.000 0.919 1609 S CB 0.591 63.793 63.200 0.004 0.000 0.805 1609 S HN 0.424 nan 8.310 nan 0.000 0.500 1610 V N 0.527 120.444 119.914 0.005 0.000 3.204 1610 V HA 0.732 4.852 4.120 -0.000 0.000 0.316 1610 V C 0.315 176.410 176.094 0.002 0.000 1.160 1610 V CA -0.860 61.444 62.300 0.007 0.000 1.044 1610 V CB 0.580 32.415 31.823 0.020 0.000 1.136 1610 V HN 0.296 nan 8.190 nan 0.000 0.455 1611 T N -1.525 113.029 114.554 0.001 0.000 2.856 1611 T HA 0.483 4.833 4.350 -0.000 0.000 0.306 1611 T C 1.263 175.962 174.700 -0.003 0.000 1.062 1611 T CA 0.233 62.326 62.100 -0.012 0.000 1.083 1611 T CB 0.952 69.808 68.868 -0.020 0.000 0.984 1611 T HN 1.561 nan 8.240 nan 0.000 0.542 1612 A N 1.651 124.454 122.820 -0.028 0.000 1.969 1612 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 1612 A C 2.218 179.813 177.584 0.018 0.000 1.169 1612 A CA 1.763 53.785 52.037 -0.025 0.000 0.635 1612 A CB -0.900 18.054 19.000 -0.077 0.000 0.810 1612 A HN 0.923 nan 8.150 nan 0.000 0.445 1613 M N 0.352 119.959 119.600 0.012 0.000 2.086 1613 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 1613 M C 1.949 178.369 176.300 0.200 0.000 1.067 1613 M CA 2.475 57.837 55.300 0.103 0.000 1.116 1613 M CB -0.452 32.173 32.600 0.041 0.000 1.348 1613 M HN 0.574 nan 8.290 nan 0.000 0.407 1614 E N -0.154 120.125 120.200 0.130 0.000 2.110 1614 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 1614 E C 1.828 178.533 176.600 0.175 0.000 0.988 1614 E CA 1.664 58.157 56.400 0.155 0.000 0.804 1614 E CB -0.421 29.335 29.700 0.093 0.000 0.745 1614 E HN 0.658 nan 8.360 nan 0.000 0.458 1615 L N 0.685 121.980 121.223 0.120 0.000 2.156 1615 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 1615 L C 2.728 179.670 176.870 0.120 0.000 1.095 1615 L CA 1.475 56.372 54.840 0.094 0.000 0.770 1615 L CB -0.389 41.700 42.059 0.051 0.000 0.914 1615 L HN 0.277 nan 8.230 nan 0.000 0.439 1616 E N 0.338 120.643 120.200 0.174 0.000 2.047 1616 E HA -0.272 4.078 4.350 -0.000 0.000 0.191 1616 E C 2.149 178.906 176.600 0.261 0.000 0.987 1616 E CA 1.327 57.874 56.400 0.245 0.000 0.799 1616 E CB -0.162 29.761 29.700 0.372 0.000 0.752 1616 E HN 0.339 nan 8.360 nan 0.000 0.449 1617 F N 1.707 121.664 119.950 0.012 0.000 2.102 1617 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 1617 F C 2.044 177.786 175.800 -0.097 0.000 1.105 1617 F CA 1.440 59.287 58.000 -0.255 0.000 1.239 1617 F CB -0.060 38.805 39.000 -0.225 0.000 0.991 1617 F HN -0.117 nan 8.300 nan 0.000 0.474 1618 K N 0.085 120.491 120.400 0.010 0.000 2.152 1618 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 1618 K C 1.982 178.530 176.600 -0.087 0.000 1.048 1618 K CA 1.314 57.564 56.287 -0.062 0.000 0.933 1618 K CB -0.715 31.817 32.500 0.053 0.000 0.721 1618 K HN 0.311 nan 8.250 nan 0.000 0.447 1619 L N 1.149 122.379 121.223 0.011 0.000 2.551 1619 L HA -0.030 4.310 4.340 -0.000 0.000 0.228 1619 L C 1.741 178.659 176.870 0.080 0.000 1.153 1619 L CA 0.711 55.605 54.840 0.090 0.000 0.851 1619 L CB -0.036 42.131 42.059 0.180 0.000 0.959 1619 L HN 0.081 nan 8.230 nan 0.000 0.451 1620 L N -1.407 119.734 121.223 -0.137 0.000 2.240 1620 L HA -0.034 4.306 4.340 -0.000 0.000 0.211 1620 L C 2.417 179.121 176.870 -0.278 0.000 1.106 1620 L CA 0.800 55.439 54.840 -0.336 0.000 0.793 1620 L CB -0.449 41.252 42.059 -0.597 0.000 0.927 1620 L HN 0.373 nan 8.230 nan 0.000 0.446 1621 A N -0.402 122.267 122.820 -0.252 0.000 1.861 1621 A HA -0.054 4.266 4.320 -0.000 0.000 0.212 1621 A C 1.530 179.069 177.584 -0.075 0.000 1.199 1621 A CA 0.797 52.737 52.037 -0.161 0.000 0.613 1621 A CB -0.490 18.419 19.000 -0.152 0.000 0.846 1621 A HN 0.382 nan 8.150 nan 0.000 0.446 1622 S N 0.468 116.139 115.700 -0.049 0.000 3.024 1622 S HA 0.549 5.019 4.470 -0.000 0.000 0.316 1622 S C -0.048 174.566 174.600 0.023 0.000 1.197 1622 S CA 0.158 58.356 58.200 -0.004 0.000 1.097 1622 S CB -0.212 62.992 63.200 0.008 0.000 1.471 1622 S HN 0.376 nan 8.310 nan 0.000 0.543 1629 R N 2.641 122.907 120.500 -0.391 0.000 2.935 1629 R HA 0.334 4.674 4.340 -0.000 0.000 0.354 1629 R C -0.868 175.201 176.300 -0.385 0.000 1.206 1629 R CA -0.008 55.899 56.100 -0.321 0.000 1.082 1629 R CB -0.231 29.869 30.300 -0.332 0.000 1.431 1629 R HN 0.535 nan 8.270 nan 0.000 0.582 1630 F N -0.776 119.236 119.950 0.104 0.000 2.791 1630 F HA 0.256 4.783 4.527 -0.000 0.000 0.316 1630 F C 1.219 177.028 175.800 0.015 0.000 1.134 1630 F CA -0.627 57.414 58.000 0.069 0.000 1.222 1630 F CB 0.106 39.136 39.000 0.051 0.000 1.034 1630 F HN 0.007 nan 8.300 nan 0.000 0.516 1631 I N -0.473 120.179 120.570 0.136 0.000 2.163 1631 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 1631 I C 2.315 178.438 176.117 0.011 0.000 1.085 1631 I CA 1.621 62.959 61.300 0.065 0.000 1.347 1631 I CB -0.325 37.699 38.000 0.039 0.000 1.044 1631 I HN 0.072 nan 8.210 nan 0.000 0.408 1632 S N 0.563 116.270 115.700 0.012 0.000 2.356 1632 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 1632 S C 2.242 176.621 174.600 -0.369 0.000 1.032 1632 S CA 1.319 59.464 58.200 -0.092 0.000 1.005 1632 S CB -0.465 62.761 63.200 0.044 0.000 0.867 1632 S HN 0.551 nan 8.310 nan 0.000 0.449 1633 A N 1.672 124.314 122.820 -0.296 0.000 2.019 1633 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 1633 A C 1.712 179.121 177.584 -0.293 0.000 1.164 1633 A CA 1.570 53.341 52.037 -0.442 0.000 0.644 1633 A CB -0.642 18.372 19.000 0.023 0.000 0.805 1633 A HN 0.577 nan 8.150 nan 0.000 0.449 1634 N N -0.786 117.825 118.700 -0.148 0.000 2.398 1634 N HA 0.231 4.971 4.740 -0.000 0.000 0.188 1634 N C -0.278 175.163 175.510 -0.114 0.000 1.122 1634 N CA -0.240 52.745 53.050 -0.108 0.000 0.866 1634 N CB -0.059 38.410 38.487 -0.030 0.000 0.970 1634 N HN 0.411 nan 8.380 nan 0.000 0.462 1635 L N 1.297 122.429 121.223 -0.151 0.000 2.455 1635 L HA 0.076 4.416 4.340 -0.000 0.000 0.272 1635 L C -1.181 175.630 176.870 -0.098 0.000 1.174 1635 L CA -1.296 53.479 54.840 -0.109 0.000 0.869 1635 L CB 0.721 42.711 42.059 -0.115 0.000 1.130 1635 L HN -0.062 nan 8.230 nan 0.000 0.474 1636 P HA -0.194 nan 4.420 nan 0.000 0.217 1636 P C 1.464 178.761 177.300 -0.005 0.000 1.151 1636 P CA 1.307 64.388 63.100 -0.031 0.000 0.849 1636 P CB -0.049 31.646 31.700 -0.008 0.000 0.787 1637 C N -3.377 115.920 119.300 -0.004 0.000 2.472 1637 C HA 0.177 4.637 4.460 -0.000 0.000 0.278 1637 C C 1.694 176.704 174.990 0.032 0.000 1.447 1637 C CA -0.055 58.979 59.018 0.028 0.000 1.773 1637 C CB -1.817 25.938 27.740 0.026 0.000 1.793 1637 C HN 0.141 nan 8.230 nan 0.000 0.544 1638 N N 0.984 119.660 118.700 -0.039 0.000 2.205 1638 N HA 0.055 4.795 4.740 -0.000 0.000 0.201 1638 N C 1.470 176.938 175.510 -0.071 0.000 1.128 1638 N CA 0.157 53.172 53.050 -0.058 0.000 0.867 1638 N CB -0.256 38.045 38.487 -0.310 0.000 0.996 1638 N HN 0.690 nan 8.380 nan 0.000 0.503 1639 K N 0.446 120.783 120.400 -0.105 0.000 2.059 1639 K HA -0.092 4.228 4.320 -0.000 0.000 0.212 1639 K C 0.349 176.690 176.600 -0.431 0.000 1.050 1639 K CA 1.464 57.576 56.287 -0.292 0.000 0.927 1639 K CB -0.098 32.170 32.500 -0.387 0.000 0.714 1639 K HN 0.010 nan 8.250 nan 0.000 0.447 1640 F N 0.567 120.517 119.950 -0.001 0.000 2.664 1640 F HA 0.191 4.718 4.527 -0.000 0.000 0.301 1640 F C 1.032 176.843 175.800 0.018 0.000 1.126 1640 F CA 0.117 58.119 58.000 0.003 0.000 1.373 1640 F CB 0.535 39.532 39.000 -0.005 0.000 1.042 1640 F HN -0.091 nan 8.300 nan 0.000 0.535 1641 K N -0.362 120.117 120.400 0.130 0.000 2.358 1641 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 1641 K C -0.059 176.613 176.600 0.121 0.000 1.025 1641 K CA 0.029 56.406 56.287 0.151 0.000 1.104 1641 K CB 0.229 32.877 32.500 0.247 0.000 0.855 1641 K HN 0.046 nan 8.250 nan 0.000 0.531 1642 N N 1.327 120.062 118.700 0.059 0.000 2.408 1642 N HA 0.128 4.868 4.740 -0.000 0.000 0.280 1642 N C 0.275 175.774 175.510 -0.018 0.000 1.002 1642 N CA -0.105 52.957 53.050 0.021 0.000 0.907 1642 N CB 1.988 40.465 38.487 -0.017 0.000 1.161 1642 N HN 0.032 nan 8.380 nan 0.000 0.488 1643 R N 2.377 122.865 120.500 -0.021 0.000 2.052 1643 R HA 0.183 4.523 4.340 -0.000 0.000 0.226 1643 R C -0.078 176.202 176.300 -0.033 0.000 1.145 1643 R CA 0.955 57.042 56.100 -0.021 0.000 0.952 1643 R CB 0.182 30.466 30.300 -0.027 0.000 0.847 1643 R HN 0.451 nan 8.270 nan 0.000 0.431 1644 L N 1.995 123.190 121.223 -0.046 0.000 2.318 1644 L HA 0.226 4.566 4.340 -0.000 0.000 0.277 1644 L C 1.090 177.913 176.870 -0.078 0.000 1.008 1644 L CA -0.693 54.114 54.840 -0.056 0.000 0.846 1644 L CB 2.117 44.146 42.059 -0.050 0.000 1.220 1644 L HN 0.120 nan 8.230 nan 0.000 0.423 1645 V N -0.224 119.634 119.914 -0.092 0.000 3.026 1645 V HA -0.174 3.946 4.120 -0.000 0.000 0.265 1645 V C 1.846 177.851 176.094 -0.149 0.000 1.121 1645 V CA 1.635 63.862 62.300 -0.122 0.000 1.142 1645 V CB -0.850 30.894 31.823 -0.132 0.000 0.730 1645 V HN 1.012 nan 8.190 nan 0.000 0.503 1646 N N 0.614 119.237 118.700 -0.128 0.000 2.494 1646 N HA -0.006 4.734 4.740 -0.000 0.000 0.182 1646 N C 0.455 175.850 175.510 -0.192 0.000 1.076 1646 N CA 0.520 53.481 53.050 -0.148 0.000 0.908 1646 N CB -0.066 38.363 38.487 -0.097 0.000 0.967 1646 N HN 0.477 nan 8.380 nan 0.000 0.449 1647 I N 1.515 121.982 120.570 -0.173 0.000 2.382 1647 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 1647 I C -0.298 175.709 176.117 -0.184 0.000 1.007 1647 I CA -0.541 60.652 61.300 -0.178 0.000 1.142 1647 I CB 0.974 38.907 38.000 -0.111 0.000 1.289 1647 I HN -0.027 nan 8.210 nan 0.000 0.453 1648 M N 7.956 127.394 119.600 -0.270 0.000 2.518 1648 M HA 0.478 4.958 4.480 -0.000 0.000 0.300 1648 M C -2.616 173.721 176.300 0.061 0.000 1.175 1648 M CA -1.619 53.605 55.300 -0.127 0.000 0.890 1648 M CB 3.403 35.856 32.600 -0.245 0.000 1.710 1648 M HN 0.178 nan 8.290 nan 0.000 0.453 1649 P HA 0.110 nan 4.420 nan 0.000 0.275 1649 P C -1.514 175.948 177.300 0.272 0.000 1.228 1649 P CA -0.079 63.097 63.100 0.128 0.000 0.786 1649 P CB 0.283 32.036 31.700 0.087 0.000 0.927 1650 Y N 1.107 121.514 120.300 0.179 0.000 2.411 1650 Y HA 0.001 4.550 4.550 -0.000 0.000 0.333 1650 Y C 2.155 178.066 175.900 0.017 0.000 1.186 1650 Y CA 0.147 58.224 58.100 -0.039 0.000 1.381 1650 Y CB -0.074 38.358 38.460 -0.046 0.000 1.273 1650 Y HN 0.424 nan 8.280 nan 0.000 0.546 1651 E N 1.699 121.983 120.200 0.140 0.000 2.058 1651 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 1651 E C 2.230 178.902 176.600 0.120 0.000 0.997 1651 E CA 0.873 57.342 56.400 0.114 0.000 0.801 1651 E CB -0.120 29.613 29.700 0.054 0.000 0.746 1651 E HN 0.702 nan 8.360 nan 0.000 0.450 1652 L N 0.997 122.280 121.223 0.099 0.000 2.043 1652 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 1652 L C 2.072 179.031 176.870 0.147 0.000 1.075 1652 L CA 2.327 57.225 54.840 0.097 0.000 0.752 1652 L CB -0.796 41.302 42.059 0.064 0.000 0.891 1652 L HN 0.283 nan 8.230 nan 0.000 0.432 1653 T N -3.222 111.449 114.554 0.195 0.000 3.129 1653 T HA 0.121 4.470 4.350 -0.000 0.000 0.267 1653 T C 0.802 175.618 174.700 0.192 0.000 1.018 1653 T CA -0.678 61.558 62.100 0.228 0.000 0.903 1653 T CB -0.176 68.837 68.868 0.242 0.000 1.067 1653 T HN 0.367 nan 8.240 nan 0.000 0.549 1654 R N 0.951 121.539 120.500 0.147 0.000 2.590 1654 R HA 0.434 4.774 4.340 -0.000 0.000 0.274 1654 R C -0.731 175.556 176.300 -0.022 0.000 1.061 1654 R CA -0.649 55.481 56.100 0.051 0.000 1.081 1654 R CB 0.250 30.618 30.300 0.112 0.000 0.984 1654 R HN 0.018 nan 8.270 nan 0.000 0.448 1655 V N 4.190 123.938 119.914 -0.277 0.000 2.415 1655 V HA 0.042 4.162 4.120 -0.000 0.000 0.267 1655 V C 0.256 176.260 176.094 -0.151 0.000 1.042 1655 V CA -0.482 61.528 62.300 -0.484 0.000 1.000 1655 V CB 0.218 31.515 31.823 -0.877 0.000 1.015 1655 V HN 0.806 nan 8.190 nan 0.000 0.478 1656 C N 6.728 126.074 119.300 0.076 0.000 2.405 1656 C HA 0.666 5.126 4.460 -0.000 0.000 0.365 1656 C C 0.287 175.435 174.990 0.264 0.000 1.233 1656 C CA -0.774 58.342 59.018 0.164 0.000 2.230 1656 C CB 0.183 28.037 27.740 0.190 0.000 2.443 1656 C HN 0.724 nan 8.230 nan 0.000 0.556 1657 L N 2.209 123.544 121.223 0.187 0.000 2.333 1657 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 1657 L C -0.308 176.650 176.870 0.146 0.000 1.010 1657 L CA -0.698 54.251 54.840 0.181 0.000 0.818 1657 L CB 0.786 42.931 42.059 0.142 0.000 1.306 1657 L HN 0.505 nan 8.230 nan 0.000 0.430 1658 Q N 2.776 122.656 119.800 0.134 0.000 2.289 1658 Q HA 0.207 4.546 4.340 -0.000 0.000 0.273 1658 Q C -2.178 173.894 176.000 0.119 0.000 1.029 1658 Q CA -1.550 54.325 55.803 0.120 0.000 0.896 1658 Q CB 0.326 29.137 28.738 0.122 0.000 1.182 1658 Q HN 0.256 nan 8.270 nan 0.000 0.385 1659 P HA 0.169 nan 4.420 nan 0.000 0.271 1659 P C -0.377 176.978 177.300 0.091 0.000 1.233 1659 P CA 0.024 63.181 63.100 0.095 0.000 0.789 1659 P CB 0.742 32.491 31.700 0.082 0.000 0.951 1660 I N 0.946 121.563 120.570 0.079 0.000 2.439 1660 I HA 0.319 4.489 4.170 -0.000 0.000 0.285 1660 I C 0.832 176.981 176.117 0.053 0.000 1.021 1660 I CA -0.999 60.342 61.300 0.068 0.000 1.091 1660 I CB 1.582 39.615 38.000 0.055 0.000 1.242 1660 I HN 0.158 nan 8.210 nan 0.000 0.439 1661 R N 3.824 124.353 120.500 0.049 0.000 2.566 1661 R HA 0.117 4.457 4.340 -0.000 0.000 0.273 1661 R C 1.258 177.577 176.300 0.031 0.000 0.981 1661 R CA 1.212 57.335 56.100 0.038 0.000 1.091 1661 R CB 0.042 30.363 30.300 0.034 0.000 0.924 1661 R HN 1.059 nan 8.270 nan 0.000 0.411 1662 G N 1.202 110.019 108.800 0.028 0.000 2.184 1662 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.264 1662 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.264 1662 G C 0.023 174.938 174.900 0.025 0.000 0.975 1662 G CA 0.184 45.298 45.100 0.023 0.000 0.642 1662 G HN 0.453 nan 8.290 nan 0.000 0.536 1663 V N 1.780 121.714 119.914 0.033 0.000 2.293 1663 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 1663 V C 0.492 176.615 176.094 0.049 0.000 1.021 1663 V CA -0.932 61.391 62.300 0.039 0.000 0.815 1663 V CB 1.330 33.178 31.823 0.041 0.000 1.025 1663 V HN 0.400 nan 8.190 nan 0.000 0.448 1664 E N 3.224 123.451 120.200 0.045 0.000 2.465 1664 E HA 0.287 4.637 4.350 -0.000 0.000 0.260 1664 E C 1.256 177.894 176.600 0.063 0.000 0.980 1664 E CA 0.766 57.194 56.400 0.047 0.000 0.927 1664 E CB 0.622 30.344 29.700 0.037 0.000 0.934 1664 E HN 1.030 nan 8.360 nan 0.000 0.459 1665 G N 2.973 111.814 108.800 0.067 0.000 2.249 1665 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.273 1665 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.273 1665 G C 0.781 175.764 174.900 0.139 0.000 1.036 1665 G CA 0.668 45.826 45.100 0.097 0.000 0.824 1665 G HN 0.572 nan 8.290 nan 0.000 0.504 1666 S N 0.014 115.781 115.700 0.112 0.000 2.547 1666 S HA 0.004 4.474 4.470 -0.000 0.000 0.235 1666 S C 1.623 176.300 174.600 0.129 0.000 0.980 1666 S CA 1.172 59.441 58.200 0.114 0.000 0.941 1666 S CB 0.044 63.298 63.200 0.090 0.000 0.763 1666 S HN 0.761 nan 8.310 nan 0.000 0.532 1667 D N -0.397 120.091 120.400 0.146 0.000 2.339 1667 D HA -0.009 4.631 4.640 -0.000 0.000 0.217 1667 D C 0.069 176.477 176.300 0.180 0.000 1.050 1667 D CA -0.363 53.727 54.000 0.151 0.000 0.856 1667 D CB -0.285 40.600 40.800 0.142 0.000 0.922 1667 D HN 0.509 nan 8.370 nan 0.000 0.518 1668 Y N 0.725 121.061 120.300 0.059 0.000 2.360 1668 Y HA 0.552 5.102 4.550 -0.000 0.000 0.337 1668 Y C -1.056 174.864 175.900 0.033 0.000 1.039 1668 Y CA -1.224 56.903 58.100 0.044 0.000 1.109 1668 Y CB 1.141 39.625 38.460 0.039 0.000 1.201 1668 Y HN -0.086 nan 8.280 nan 0.000 0.458 1669 I N 5.569 125.572 120.570 -0.946 0.000 2.692 1669 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 1669 I C -1.427 174.075 176.117 -1.025 0.000 1.200 1669 I CA -0.707 60.141 61.300 -0.754 0.000 1.036 1669 I CB 1.641 39.449 38.000 -0.319 0.000 1.258 1669 I HN 0.693 nan 8.210 nan 0.000 0.421 1670 N N 6.310 124.612 118.700 -0.663 0.000 2.671 1670 N HA 0.511 5.251 4.740 -0.000 0.000 0.274 1670 N C -1.191 174.174 175.510 -0.241 0.000 1.188 1670 N CA 0.286 53.126 53.050 -0.351 0.000 1.065 1670 N CB 0.119 38.547 38.487 -0.098 0.000 1.415 1670 N HN 0.679 nan 8.380 nan 0.000 0.511 1671 A N 1.252 123.910 122.820 -0.269 0.000 2.594 1671 A HA 0.723 5.043 4.320 -0.000 0.000 0.295 1671 A C -0.987 176.450 177.584 -0.245 0.000 1.071 1671 A CA -0.635 51.260 52.037 -0.236 0.000 0.685 1671 A CB 1.231 20.059 19.000 -0.287 0.000 1.285 1671 A HN 0.344 nan 8.150 nan 0.000 0.405 1672 S N 0.116 115.689 115.700 -0.212 0.000 2.548 1672 S HA 0.740 5.209 4.470 -0.000 0.000 0.286 1672 S C -1.185 173.319 174.600 -0.161 0.000 1.098 1672 S CA -0.386 57.720 58.200 -0.156 0.000 0.930 1672 S CB 0.965 64.146 63.200 -0.030 0.000 1.070 1672 S HN 0.464 nan 8.310 nan 0.000 0.480 1673 F N 1.942 121.893 119.950 0.002 0.000 2.420 1673 F HA 0.504 5.031 4.527 -0.000 0.000 0.352 1673 F C -0.232 175.607 175.800 0.065 0.000 1.108 1673 F CA -0.581 57.426 58.000 0.013 0.000 1.162 1673 F CB 0.398 39.393 39.000 -0.008 0.000 1.118 1673 F HN 0.248 nan 8.300 nan 0.000 0.510 1674 L N 3.670 125.080 121.223 0.312 0.000 2.362 1674 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 1674 L C -0.503 176.537 176.870 0.285 0.000 1.002 1674 L CA -0.733 54.263 54.840 0.259 0.000 0.818 1674 L CB 1.500 43.696 42.059 0.228 0.000 1.298 1674 L HN 0.386 nan 8.230 nan 0.000 0.420 1675 D N 1.200 121.728 120.400 0.213 0.000 2.302 1675 D HA 0.507 5.147 4.640 -0.000 0.000 0.248 1675 D C 0.289 176.747 176.300 0.263 0.000 1.094 1675 D CA 0.084 54.190 54.000 0.177 0.000 0.897 1675 D CB 1.628 42.496 40.800 0.113 0.000 1.200 1675 D HN 0.649 nan 8.370 nan 0.000 0.429 1676 G N 0.019 108.953 108.800 0.224 0.000 2.671 1676 G HA2 0.102 4.062 3.960 -0.000 0.000 0.275 1676 G HA3 0.102 4.062 3.960 -0.000 0.000 0.275 1676 G C 0.271 175.310 174.900 0.232 0.000 1.368 1676 G CA -0.268 45.029 45.100 0.329 0.000 1.044 1676 G HN 0.462 nan 8.290 nan 0.000 0.543 1677 Y N 0.251 120.602 120.300 0.086 0.000 2.133 1677 Y HA -0.017 4.533 4.550 -0.000 0.000 0.287 1677 Y C 2.842 178.717 175.900 -0.042 0.000 1.134 1677 Y CA 1.840 59.952 58.100 0.021 0.000 1.133 1677 Y CB 0.060 38.517 38.460 -0.004 0.000 0.987 1677 Y HN 0.367 nan 8.280 nan 0.000 0.502 1678 R N 0.468 120.852 120.500 -0.193 0.000 2.280 1678 R HA 0.116 4.456 4.340 -0.000 0.000 0.195 1678 R C -0.062 176.110 176.300 -0.213 0.000 0.935 1678 R CA 0.453 56.350 56.100 -0.339 0.000 1.033 1678 R CB 0.139 30.269 30.300 -0.284 0.000 0.964 1678 R HN 0.424 nan 8.270 nan 0.000 0.489 1679 Q N 0.331 120.056 119.800 -0.126 0.000 2.391 1679 Q HA 0.241 4.581 4.340 -0.000 0.000 0.279 1679 Q C -1.505 174.453 176.000 -0.069 0.000 1.028 1679 Q CA -0.853 54.883 55.803 -0.111 0.000 0.836 1679 Q CB 1.489 30.156 28.738 -0.118 0.000 1.414 1679 Q HN -0.072 nan 8.270 nan 0.000 0.397 1680 Q N 1.078 120.833 119.800 -0.074 0.000 2.354 1680 Q HA 0.173 4.513 4.340 -0.000 0.000 0.244 1680 Q C -0.791 175.167 176.000 -0.070 0.000 0.969 1680 Q CA -0.318 55.456 55.803 -0.049 0.000 0.885 1680 Q CB 0.579 29.277 28.738 -0.066 0.000 1.241 1680 Q HN 0.659 nan 8.270 nan 0.000 0.461 1681 K N -0.282 120.102 120.400 -0.026 0.000 3.035 1681 K HA -0.259 4.061 4.320 -0.000 0.000 0.262 1681 K C 0.323 176.914 176.600 -0.015 0.000 1.024 1681 K CA 0.812 57.085 56.287 -0.024 0.000 0.748 1681 K CB -1.830 30.484 32.500 -0.310 0.000 1.247 1681 K HN 0.716 nan 8.250 nan 0.000 0.482 1682 A N -1.227 121.554 122.820 -0.065 0.000 2.119 1682 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 1682 A C 0.098 177.366 177.584 -0.527 0.000 1.152 1682 A CA 0.942 52.789 52.037 -0.317 0.000 0.708 1682 A CB -0.015 18.719 19.000 -0.444 0.000 0.805 1682 A HN 0.322 nan 8.150 nan 0.000 0.460 1683 Y N -2.078 118.304 120.300 0.136 0.000 2.553 1683 Y HA 0.654 5.204 4.550 -0.000 0.000 0.347 1683 Y C -0.423 175.551 175.900 0.124 0.000 1.019 1683 Y CA -1.096 57.079 58.100 0.125 0.000 1.032 1683 Y CB 1.523 40.063 38.460 0.134 0.000 1.284 1683 Y HN -0.069 nan 8.280 nan 0.000 0.466 1684 I N 2.262 122.956 120.570 0.207 0.000 2.410 1684 I HA 0.588 4.758 4.170 -0.000 0.000 0.286 1684 I C -0.686 175.451 176.117 0.033 0.000 1.009 1684 I CA -0.765 60.539 61.300 0.006 0.000 1.111 1684 I CB 1.316 39.228 38.000 -0.147 0.000 1.262 1684 I HN 0.745 nan 8.210 nan 0.000 0.443 1685 A N 4.765 127.590 122.820 0.008 0.000 2.260 1685 A HA 0.747 5.067 4.320 -0.000 0.000 0.308 1685 A C -0.199 177.364 177.584 -0.035 0.000 1.254 1685 A CA -0.225 51.819 52.037 0.010 0.000 0.874 1685 A CB 1.040 20.049 19.000 0.015 0.000 1.153 1685 A HN 0.612 nan 8.150 nan 0.000 0.527 1686 T N 1.077 115.628 114.554 -0.005 0.000 2.864 1686 T HA 0.486 4.836 4.350 -0.000 0.000 0.299 1686 T C -0.421 174.269 174.700 -0.017 0.000 1.166 1686 T CA -0.555 61.524 62.100 -0.035 0.000 1.007 1686 T CB 1.189 70.034 68.868 -0.037 0.000 1.219 1686 T HN 0.903 nan 8.240 nan 0.000 0.506 1687 Q N 1.237 120.995 119.800 -0.070 0.000 2.382 1687 Q HA 0.531 4.871 4.340 -0.000 0.000 0.229 1687 Q C 0.523 176.436 176.000 -0.146 0.000 1.006 1687 Q CA -0.689 55.070 55.803 -0.074 0.000 0.916 1687 Q CB 0.167 28.856 28.738 -0.082 0.000 1.235 1687 Q HN 0.767 nan 8.270 nan 0.000 0.512 1688 G N 2.195 110.932 108.800 -0.106 0.000 2.334 1688 G HA2 0.285 4.245 3.960 -0.000 0.000 0.261 1688 G HA3 0.285 4.245 3.960 -0.000 0.000 0.261 1688 G C -2.344 172.387 174.900 -0.283 0.000 1.257 1688 G CA -0.976 44.007 45.100 -0.195 0.000 0.935 1688 G HN 0.476 nan 8.290 nan 0.000 0.480 1689 P HA 0.006 nan 4.420 nan 0.000 0.266 1689 P C -0.004 177.216 177.300 -0.133 0.000 1.186 1689 P CA 0.280 63.125 63.100 -0.426 0.000 0.767 1689 P CB 0.600 31.817 31.700 -0.805 0.000 0.820 1690 L N 1.575 122.736 121.223 -0.103 0.000 2.358 1690 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 1690 L C 1.723 178.485 176.870 -0.181 0.000 1.032 1690 L CA -0.637 54.161 54.840 -0.070 0.000 0.805 1690 L CB 0.701 42.733 42.059 -0.044 0.000 1.253 1690 L HN 0.300 nan 8.230 nan 0.000 0.452 1691 A N 0.227 122.806 122.820 -0.402 0.000 1.940 1691 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 1691 A C 1.893 179.327 177.584 -0.251 0.000 1.176 1691 A CA 1.611 53.219 52.037 -0.715 0.000 0.631 1691 A CB -0.435 18.172 19.000 -0.656 0.000 0.814 1691 A HN 0.867 nan 8.150 nan 0.000 0.446 1692 E N 0.155 120.278 120.200 -0.129 0.000 2.268 1692 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 1692 E C 1.845 178.449 176.600 0.006 0.000 0.995 1692 E CA 1.258 57.637 56.400 -0.034 0.000 0.836 1692 E CB -0.074 29.635 29.700 0.015 0.000 0.763 1692 E HN 0.746 nan 8.360 nan 0.000 0.491 1693 S N -1.901 113.793 115.700 -0.010 0.000 2.650 1693 S HA 0.156 4.626 4.470 -0.000 0.000 0.240 1693 S C 1.424 176.045 174.600 0.035 0.000 1.007 1693 S CA -0.234 57.976 58.200 0.016 0.000 0.984 1693 S CB 0.341 63.532 63.200 -0.015 0.000 0.910 1693 S HN -0.034 nan 8.310 nan 0.000 0.509 1694 T N 2.669 117.255 114.554 0.054 0.000 2.746 1694 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 1694 T C 1.590 176.456 174.700 0.277 0.000 1.039 1694 T CA 1.918 64.099 62.100 0.135 0.000 1.142 1694 T CB -0.280 68.733 68.868 0.241 0.000 0.866 1694 T HN 0.558 nan 8.240 nan 0.000 0.444 1695 E N 0.635 121.010 120.200 0.292 0.000 2.077 1695 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 1695 E C 1.956 178.726 176.600 0.283 0.000 0.989 1695 E CA 1.066 57.677 56.400 0.351 0.000 0.800 1695 E CB -0.019 29.828 29.700 0.245 0.000 0.746 1695 E HN 0.332 nan 8.360 nan 0.000 0.452 1696 D N -0.393 120.117 120.400 0.183 0.000 2.144 1696 D HA -0.169 4.470 4.640 -0.000 0.000 0.199 1696 D C 1.592 177.953 176.300 0.102 0.000 0.984 1696 D CA 0.641 54.719 54.000 0.130 0.000 0.834 1696 D CB -0.261 40.584 40.800 0.076 0.000 0.955 1696 D HN 0.176 nan 8.370 nan 0.000 0.465 1697 F N -0.113 119.773 119.950 -0.107 0.000 2.102 1697 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 1697 F C 1.958 177.598 175.800 -0.266 0.000 1.105 1697 F CA 1.398 59.220 58.000 -0.296 0.000 1.239 1697 F CB -0.536 38.132 39.000 -0.553 0.000 0.991 1697 F HN -0.051 nan 8.300 nan 0.000 0.474 1698 W N 0.706 121.951 121.300 -0.093 0.000 2.402 1698 W HA -0.055 4.605 4.660 -0.000 0.000 0.286 1698 W C 2.629 179.054 176.519 -0.157 0.000 1.221 1698 W CA 1.035 58.279 57.345 -0.169 0.000 1.257 1698 W CB -0.363 29.095 29.460 -0.002 0.000 1.120 1698 W HN -0.167 nan 8.180 nan 0.000 0.551 1699 R N -0.065 120.565 120.500 0.217 0.000 2.081 1699 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 1699 R C 2.200 178.560 176.300 0.100 0.000 1.131 1699 R CA 1.762 57.998 56.100 0.225 0.000 0.960 1699 R CB -0.853 29.604 30.300 0.262 0.000 0.856 1699 R HN 0.298 nan 8.270 nan 0.000 0.436 1700 M N 0.900 120.506 119.600 0.010 0.000 2.117 1700 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 1700 M C 1.955 178.240 176.300 -0.024 0.000 1.065 1700 M CA 1.659 56.972 55.300 0.022 0.000 1.114 1700 M CB -0.029 32.494 32.600 -0.129 0.000 1.361 1700 M HN 0.112 nan 8.290 nan 0.000 0.408 1701 L N -1.000 120.078 121.223 -0.241 0.000 2.046 1701 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 1701 L C 2.560 179.387 176.870 -0.072 0.000 1.077 1701 L CA 1.448 56.153 54.840 -0.225 0.000 0.747 1701 L CB -1.044 40.789 42.059 -0.376 0.000 0.896 1701 L HN 0.641 nan 8.230 nan 0.000 0.432 1702 W N 1.549 122.685 121.300 -0.273 0.000 2.407 1702 W HA -0.190 4.470 4.660 -0.000 0.000 0.305 1702 W C 2.371 178.794 176.519 -0.160 0.000 1.196 1702 W CA 1.857 59.026 57.345 -0.294 0.000 1.311 1702 W CB -0.028 29.001 29.460 -0.718 0.000 1.135 1702 W HN 0.282 nan 8.180 nan 0.000 0.514 1703 E N -0.865 119.398 120.200 0.106 0.000 2.118 1703 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 1703 E C 1.487 177.893 176.600 -0.325 0.000 0.992 1703 E CA 1.418 57.779 56.400 -0.066 0.000 0.804 1703 E CB -0.410 29.226 29.700 -0.107 0.000 0.741 1703 E HN 0.233 nan 8.360 nan 0.000 0.458 1704 H N -0.358 118.719 119.070 0.012 0.000 2.520 1704 H HA 0.141 4.697 4.556 -0.000 0.000 0.284 1704 H C 0.194 175.500 175.328 -0.036 0.000 1.037 1704 H CA -0.004 56.064 56.048 0.034 0.000 1.168 1704 H CB 0.308 30.145 29.762 0.124 0.000 1.497 1704 H HN 0.186 nan 8.280 nan 0.000 0.547 1705 N N 1.514 120.166 118.700 -0.080 0.000 2.727 1705 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 1705 N C -0.332 175.123 175.510 -0.092 0.000 1.048 1705 N CA 0.657 53.615 53.050 -0.152 0.000 0.714 1705 N CB -0.834 37.566 38.487 -0.145 0.000 0.959 1705 N HN 0.265 nan 8.380 nan 0.000 0.544 1706 S N -0.374 115.284 115.700 -0.071 0.000 2.438 1706 S HA 0.447 4.917 4.470 -0.000 0.000 0.293 1706 S C 1.195 175.755 174.600 -0.066 0.000 1.141 1706 S CA 0.309 58.474 58.200 -0.059 0.000 1.080 1706 S CB 0.901 64.061 63.200 -0.067 0.000 0.978 1706 S HN 0.304 nan 8.310 nan 0.000 0.479 1707 T N 2.492 117.028 114.554 -0.031 0.000 3.084 1707 T HA 0.416 4.766 4.350 -0.000 0.000 0.270 1707 T C 0.113 174.848 174.700 0.059 0.000 1.008 1707 T CA -0.293 61.814 62.100 0.012 0.000 0.900 1707 T CB -0.168 68.702 68.868 0.004 0.000 1.084 1707 T HN 0.494 nan 8.240 nan 0.000 0.538 1708 I N 2.235 122.833 120.570 0.046 0.000 2.439 1708 I HA 0.516 4.686 4.170 -0.000 0.000 0.285 1708 I C -0.705 175.457 176.117 0.074 0.000 1.021 1708 I CA -1.339 60.018 61.300 0.095 0.000 1.091 1708 I CB 1.755 39.782 38.000 0.044 0.000 1.242 1708 I HN 0.203 nan 8.210 nan 0.000 0.439 1709 I N 6.203 126.859 120.570 0.144 0.000 2.404 1709 I HA 0.464 4.634 4.170 -0.000 0.000 0.293 1709 I C -0.360 175.827 176.117 0.116 0.000 0.992 1709 I CA -0.938 60.442 61.300 0.133 0.000 1.149 1709 I CB 2.421 40.551 38.000 0.216 0.000 1.315 1709 I HN 0.116 nan 8.210 nan 0.000 0.446 1710 V N 6.883 126.770 119.914 -0.045 0.000 2.378 1710 V HA 0.381 4.501 4.120 -0.000 0.000 0.288 1710 V C -0.200 175.700 176.094 -0.323 0.000 1.016 1710 V CA -0.489 61.713 62.300 -0.162 0.000 0.840 1710 V CB 1.647 33.134 31.823 -0.559 0.000 0.994 1710 V HN 0.705 nan 8.190 nan 0.000 0.431 1711 M N 5.913 125.392 119.600 -0.203 0.000 2.205 1711 M HA 0.519 4.999 4.480 -0.000 0.000 0.344 1711 M C -0.450 175.798 176.300 -0.086 0.000 1.085 1711 M CA -0.335 54.730 55.300 -0.393 0.000 1.001 1711 M CB 1.103 33.634 32.600 -0.115 0.000 1.626 1711 M HN 0.577 nan 8.290 nan 0.000 0.442 1712 L N 4.423 125.575 121.223 -0.118 0.000 2.818 1712 L HA 0.297 4.637 4.340 -0.000 0.000 0.243 1712 L C 0.212 177.070 176.870 -0.020 0.000 1.185 1712 L CA -0.264 54.569 54.840 -0.012 0.000 0.988 1712 L CB -0.317 41.682 42.059 -0.099 0.000 1.292 1712 L HN 0.819 nan 8.230 nan 0.000 0.519 1713 T N -4.211 110.360 114.554 0.027 0.000 2.804 1713 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 1713 T C -0.402 174.355 174.700 0.095 0.000 1.099 1713 T CA -0.926 61.198 62.100 0.040 0.000 1.011 1713 T CB 2.383 71.263 68.868 0.021 0.000 1.291 1713 T HN -0.116 nan 8.240 nan 0.000 0.523 1714 K N 0.077 120.530 120.400 0.088 0.000 2.109 1714 K HA 0.500 4.820 4.320 -0.000 0.000 0.243 1714 K C 1.167 177.831 176.600 0.106 0.000 1.006 1714 K CA -0.801 55.544 56.287 0.097 0.000 0.917 1714 K CB 1.152 33.695 32.500 0.072 0.000 1.081 1714 K HN 0.452 nan 8.250 nan 0.000 0.468 1715 L N 0.807 122.097 121.223 0.111 0.000 2.083 1715 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 1715 L C 0.696 177.594 176.870 0.046 0.000 1.083 1715 L CA 1.496 56.384 54.840 0.080 0.000 0.752 1715 L CB -0.099 41.973 42.059 0.023 0.000 0.899 1715 L HN 0.396 nan 8.230 nan 0.000 0.433 1716 R N -0.552 119.972 120.500 0.040 0.000 2.673 1716 R HA 0.530 4.870 4.340 -0.000 0.000 0.281 1716 R C -0.997 175.324 176.300 0.034 0.000 0.991 1716 R CA -0.515 55.603 56.100 0.030 0.000 0.896 1716 R CB 2.192 32.502 30.300 0.017 0.000 1.201 1716 R HN -0.035 nan 8.270 nan 0.000 0.457 1717 E N 2.381 122.600 120.200 0.032 0.000 2.343 1717 E HA 0.252 4.602 4.350 -0.000 0.000 0.278 1717 E C -0.426 176.192 176.600 0.029 0.000 0.910 1717 E CA -0.857 55.564 56.400 0.035 0.000 0.757 1717 E CB 1.770 31.495 29.700 0.041 0.000 1.218 1717 E HN 0.344 nan 8.360 nan 0.000 0.435 1718 M N 0.941 120.559 119.600 0.029 0.000 2.503 1718 M HA -0.239 4.241 4.480 -0.000 0.000 0.199 1718 M C 0.725 177.037 176.300 0.019 0.000 0.466 1718 M CA 1.584 56.899 55.300 0.025 0.000 0.510 1718 M CB -2.548 30.067 32.600 0.026 0.000 1.858 1718 M HN 1.088 nan 8.290 nan 0.000 0.799 1719 G N 0.130 108.941 108.800 0.018 0.000 2.143 1719 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.249 1719 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.249 1719 G C 0.172 175.081 174.900 0.014 0.000 0.981 1719 G CA 0.670 45.779 45.100 0.014 0.000 0.665 1719 G HN 0.793 nan 8.290 nan 0.000 0.528 1720 R N -0.538 119.972 120.500 0.017 0.000 2.836 1720 R HA 0.714 5.054 4.340 -0.000 0.000 0.269 1720 R C -0.507 175.805 176.300 0.020 0.000 1.010 1720 R CA -1.029 55.081 56.100 0.017 0.000 0.930 1720 R CB 1.325 31.635 30.300 0.016 0.000 1.218 1720 R HN 0.230 nan 8.270 nan 0.000 0.473 1721 E N 1.330 121.543 120.200 0.022 0.000 2.316 1721 E HA 0.068 4.418 4.350 -0.000 0.000 0.275 1721 E C -0.161 176.456 176.600 0.029 0.000 1.029 1721 E CA -0.354 56.063 56.400 0.028 0.000 0.871 1721 E CB 0.830 30.552 29.700 0.037 0.000 1.022 1721 E HN 0.453 nan 8.360 nan 0.000 0.418 1722 K N 2.764 123.185 120.400 0.035 0.000 2.313 1722 K HA 0.134 4.454 4.320 -0.000 0.000 0.197 1722 K C -0.098 176.533 176.600 0.051 0.000 1.061 1722 K CA 0.158 56.466 56.287 0.035 0.000 0.980 1722 K CB 0.596 33.118 32.500 0.036 0.000 0.888 1722 K HN 0.529 nan 8.250 nan 0.000 0.502 1723 C N 0.815 120.158 119.300 0.070 0.000 2.985 1723 C HA 0.361 4.820 4.460 -0.000 0.000 0.332 1723 C C -0.912 174.130 174.990 0.085 0.000 1.164 1723 C CA -0.925 58.151 59.018 0.096 0.000 1.347 1723 C CB 0.754 28.601 27.740 0.179 0.000 1.764 1723 C HN 0.582 nan 8.230 nan 0.000 0.489 1724 H N 2.372 121.444 119.070 0.003 0.000 2.562 1724 H HA 0.375 4.931 4.556 -0.000 0.000 0.352 1724 H C 0.179 175.443 175.328 -0.107 0.000 1.125 1724 H CA 0.554 56.579 56.048 -0.039 0.000 1.379 1724 H CB 0.953 30.702 29.762 -0.021 0.000 1.464 1724 H HN 0.779 nan 8.280 nan 0.000 0.563 1725 Q N 4.743 123.969 119.800 -0.956 0.000 2.431 1725 Q HA 0.022 4.362 4.340 -0.000 0.000 0.234 1725 Q C -0.485 175.003 176.000 -0.853 0.000 1.203 1725 Q CA -0.454 54.660 55.803 -1.149 0.000 0.902 1725 Q CB -0.121 27.927 28.738 -1.150 0.000 1.455 1725 Q HN 0.860 nan 8.270 nan 0.000 0.515 1726 Y N 2.230 122.356 120.300 -0.289 0.000 2.490 1726 Y HA 0.226 4.776 4.550 -0.000 0.000 0.281 1726 Y C -0.691 175.373 175.900 0.274 0.000 1.174 1726 Y CA -1.189 56.952 58.100 0.068 0.000 1.295 1726 Y CB -0.457 37.987 38.460 -0.028 0.000 1.062 1726 Y HN 0.445 nan 8.280 nan 0.000 0.522 1727 W N 0.787 122.045 121.300 -0.069 0.000 2.781 1727 W HA 0.800 5.460 4.660 -0.000 0.000 0.345 1727 W C -3.123 173.485 176.519 0.147 0.000 1.085 1727 W CA -3.296 54.097 57.345 0.081 0.000 1.198 1727 W CB 0.726 30.119 29.460 -0.113 0.000 1.423 1727 W HN -0.312 nan 8.180 nan 0.000 0.532 1728 P HA 0.258 nan 4.420 nan 0.000 0.279 1728 P C -0.180 177.351 177.300 0.386 0.000 1.239 1728 P CA 0.096 63.358 63.100 0.269 0.000 0.789 1728 P CB 1.942 33.793 31.700 0.251 0.000 0.933 1729 A N 3.010 125.942 122.820 0.187 0.000 1.970 1729 A HA 0.019 4.339 4.320 -0.000 0.000 0.204 1729 A C 1.583 179.246 177.584 0.132 0.000 1.325 1729 A CA 0.684 52.842 52.037 0.202 0.000 0.767 1729 A CB -0.319 18.736 19.000 0.091 0.000 0.949 1729 A HN 0.512 nan 8.150 nan 0.000 0.481 1730 E N 0.985 121.234 120.200 0.080 0.000 2.067 1730 E HA 0.158 4.508 4.350 -0.000 0.000 0.194 1730 E C 0.964 177.595 176.600 0.052 0.000 0.950 1730 E CA 0.511 56.941 56.400 0.050 0.000 0.872 1730 E CB -0.513 29.201 29.700 0.023 0.000 0.877 1730 E HN 0.661 nan 8.360 nan 0.000 0.470 1731 R N 0.531 121.055 120.500 0.040 0.000 2.691 1731 R HA 0.696 5.035 4.340 -0.000 0.000 0.259 1731 R C -0.167 176.158 176.300 0.042 0.000 1.048 1731 R CA -0.718 55.400 56.100 0.030 0.000 1.086 1731 R CB 0.802 31.105 30.300 0.005 0.000 1.166 1731 R HN -0.084 nan 8.270 nan 0.000 0.526 1732 S N -0.407 115.308 115.700 0.025 0.000 2.589 1732 S HA 0.477 4.947 4.470 -0.000 0.000 0.265 1732 S C -0.277 174.294 174.600 -0.048 0.000 1.342 1732 S CA 0.006 58.215 58.200 0.014 0.000 1.005 1732 S CB 1.102 64.302 63.200 0.000 0.000 0.909 1732 S HN 0.723 nan 8.310 nan 0.000 0.555 1733 A N 1.437 124.193 122.820 -0.108 0.000 2.574 1733 A HA 0.688 5.008 4.320 -0.000 0.000 0.297 1733 A C -0.689 176.615 177.584 -0.466 0.000 1.062 1733 A CA -0.759 51.106 52.037 -0.287 0.000 0.686 1733 A CB 1.309 20.117 19.000 -0.319 0.000 1.285 1733 A HN 0.720 nan 8.150 nan 0.000 0.403 1734 R N 1.100 121.276 120.500 -0.540 0.000 2.460 1734 R HA 0.608 4.947 4.340 -0.000 0.000 0.303 1734 R C -1.867 174.026 176.300 -0.679 0.000 0.968 1734 R CA -0.355 55.460 56.100 -0.475 0.000 0.889 1734 R CB 0.884 31.020 30.300 -0.273 0.000 1.123 1734 R HN 0.703 nan 8.270 nan 0.000 0.455 1735 Y N 4.130 124.348 120.300 -0.136 0.000 2.447 1735 Y HA 0.190 4.740 4.550 -0.000 0.000 0.325 1735 Y C 0.883 176.766 175.900 -0.028 0.000 0.976 1735 Y CA -0.321 57.754 58.100 -0.042 0.000 1.280 1735 Y CB 1.158 39.608 38.460 -0.018 0.000 1.104 1735 Y HN 0.807 nan 8.280 nan 0.000 0.486 1736 Q N 0.465 120.232 119.800 -0.055 0.000 1.622 1736 Q HA -0.354 3.986 4.340 -0.000 0.000 0.329 1736 Q C 0.099 175.814 176.000 -0.474 0.000 0.810 1736 Q CA 2.409 58.034 55.803 -0.297 0.000 0.907 1736 Q CB -1.061 27.552 28.738 -0.208 0.000 3.016 1736 Q HN 0.853 nan 8.270 nan 0.000 0.630 1737 Y N -0.466 119.470 120.300 -0.607 0.000 2.466 1737 Y HA 0.286 4.836 4.550 -0.000 0.000 0.272 1737 Y C 0.276 175.577 175.900 -0.998 0.000 1.169 1737 Y CA 0.071 57.657 58.100 -0.857 0.000 1.285 1737 Y CB 0.457 38.268 38.460 -1.080 0.000 1.078 1737 Y HN 0.065 nan 8.280 nan 0.000 0.523 1738 F N -0.251 119.645 119.950 -0.090 0.000 2.385 1738 F HA 0.480 5.007 4.527 -0.000 0.000 0.360 1738 F C -0.134 175.560 175.800 -0.177 0.000 1.122 1738 F CA -1.760 56.132 58.000 -0.180 0.000 1.090 1738 F CB 0.674 39.567 39.000 -0.177 0.000 1.150 1738 F HN -0.440 nan 8.300 nan 0.000 0.472 1739 V N 4.784 124.679 119.914 -0.032 0.000 2.406 1739 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 1739 V C -0.101 175.965 176.094 -0.047 0.000 1.043 1739 V CA -0.679 61.575 62.300 -0.077 0.000 0.915 1739 V CB 1.180 32.965 31.823 -0.062 0.000 0.988 1739 V HN 0.513 nan 8.190 nan 0.000 0.466 1740 V N 4.854 124.709 119.914 -0.098 0.000 2.347 1740 V HA 0.403 4.523 4.120 -0.000 0.000 0.280 1740 V C -0.374 175.767 176.094 0.078 0.000 1.021 1740 V CA -0.702 61.554 62.300 -0.073 0.000 0.847 1740 V CB 1.519 33.121 31.823 -0.369 0.000 0.990 1740 V HN 0.802 nan 8.190 nan 0.000 0.444 1741 D N 6.770 127.267 120.400 0.162 0.000 2.280 1741 D HA 0.368 5.008 4.640 -0.000 0.000 0.236 1741 D C -2.709 173.767 176.300 0.294 0.000 1.082 1741 D CA -1.641 52.467 54.000 0.180 0.000 0.834 1741 D CB 2.151 43.019 40.800 0.113 0.000 1.100 1741 D HN 0.271 nan 8.370 nan 0.000 0.486 1742 P HA 0.172 nan 4.420 nan 0.000 0.276 1742 P C 0.584 177.887 177.300 0.005 0.000 1.253 1742 P CA -0.207 63.012 63.100 0.199 0.000 0.766 1742 P CB 0.785 32.617 31.700 0.219 0.000 0.845 1743 M N 1.795 121.322 119.600 -0.121 0.000 2.653 1743 M HA 0.352 4.832 4.480 -0.000 0.000 0.259 1743 M C 0.634 176.823 176.300 -0.185 0.000 1.244 1743 M CA 0.530 55.765 55.300 -0.109 0.000 1.163 1743 M CB 0.017 32.574 32.600 -0.070 0.000 1.309 1743 M HN 0.333 nan 8.290 nan 0.000 0.509 1744 A N 0.661 123.282 122.820 -0.333 0.000 2.599 1744 A HA 0.617 4.937 4.320 -0.000 0.000 0.294 1744 A C -1.387 175.801 177.584 -0.661 0.000 1.055 1744 A CA -0.593 51.151 52.037 -0.488 0.000 0.683 1744 A CB 1.768 20.459 19.000 -0.514 0.000 1.278 1744 A HN 0.198 nan 8.150 nan 0.000 0.412 1745 E N 0.969 120.713 120.200 -0.761 0.000 2.302 1745 E HA 0.544 4.894 4.350 -0.000 0.000 0.263 1745 E C -2.119 174.107 176.600 -0.624 0.000 0.897 1745 E CA -0.332 55.712 56.400 -0.593 0.000 0.809 1745 E CB 1.055 30.574 29.700 -0.301 0.000 1.270 1745 E HN 0.550 nan 8.360 nan 0.000 0.410 1746 Y N 2.582 122.797 120.300 -0.142 0.000 2.369 1746 Y HA 0.350 4.900 4.550 -0.000 0.000 0.337 1746 Y C 0.216 176.023 175.900 -0.156 0.000 0.961 1746 Y CA -1.006 57.017 58.100 -0.129 0.000 1.186 1746 Y CB 1.082 39.467 38.460 -0.126 0.000 1.139 1746 Y HN 0.322 nan 8.280 nan 0.000 0.494 1747 N N 5.024 123.717 118.700 -0.012 0.000 2.439 1747 N HA 0.318 5.057 4.740 -0.000 0.000 0.249 1747 N C -0.741 174.715 175.510 -0.091 0.000 1.003 1747 N CA -0.276 52.736 53.050 -0.064 0.000 0.942 1747 N CB 1.182 39.645 38.487 -0.041 0.000 1.115 1747 N HN 0.552 nan 8.380 nan 0.000 0.505 1748 M N 2.008 121.491 119.600 -0.195 0.000 2.706 1748 M HA 0.355 4.835 4.480 -0.000 0.000 0.304 1748 M C -1.353 174.871 176.300 -0.127 0.000 1.217 1748 M CA -1.933 53.242 55.300 -0.210 0.000 0.922 1748 M CB 1.120 33.438 32.600 -0.470 0.000 1.637 1748 M HN 0.204 nan 8.290 nan 0.000 0.492 1749 P HA -0.155 nan 4.420 nan 0.000 0.216 1749 P C 0.221 177.502 177.300 -0.032 0.000 1.153 1749 P CA 1.526 64.613 63.100 -0.021 0.000 0.858 1749 P CB 0.171 31.883 31.700 0.020 0.000 0.789 1750 Q N -2.951 116.859 119.800 0.017 0.000 2.189 1750 Q HA 0.189 4.529 4.340 -0.000 0.000 0.223 1750 Q C -0.353 175.597 176.000 -0.083 0.000 0.828 1750 Q CA -0.211 55.554 55.803 -0.064 0.000 0.967 1750 Q CB 0.622 29.400 28.738 0.067 0.000 1.139 1750 Q HN 0.404 nan 8.270 nan 0.000 0.497 1751 Y N -2.792 117.471 120.300 -0.062 0.000 2.741 1751 Y HA 0.584 5.134 4.550 -0.000 0.000 0.339 1751 Y C -1.883 174.087 175.900 0.117 0.000 1.226 1751 Y CA -1.601 56.521 58.100 0.037 0.000 1.072 1751 Y CB 0.775 39.427 38.460 0.319 0.000 1.331 1751 Y HN -0.182 nan 8.280 nan 0.000 0.453 1752 I N 2.479 123.151 120.570 0.169 0.000 2.569 1752 I HA 0.541 4.710 4.170 -0.000 0.000 0.296 1752 I C -1.524 174.666 176.117 0.122 0.000 1.028 1752 I CA -1.112 60.198 61.300 0.017 0.000 1.082 1752 I CB 2.127 40.125 38.000 -0.002 0.000 1.264 1752 I HN 0.606 nan 8.210 nan 0.000 0.429 1753 L N 6.374 127.586 121.223 -0.018 0.000 2.349 1753 L HA 0.591 4.931 4.340 -0.000 0.000 0.278 1753 L C -0.946 175.778 176.870 -0.243 0.000 0.996 1753 L CA -0.182 54.572 54.840 -0.144 0.000 0.825 1753 L CB 1.096 43.107 42.059 -0.080 0.000 1.243 1753 L HN 0.517 nan 8.230 nan 0.000 0.412 1754 R N 3.886 124.166 120.500 -0.366 0.000 2.637 1754 R HA 0.615 4.954 4.340 -0.000 0.000 0.291 1754 R C -1.006 174.943 176.300 -0.585 0.000 0.963 1754 R CA -0.738 55.041 56.100 -0.536 0.000 0.901 1754 R CB 2.133 32.059 30.300 -0.623 0.000 1.160 1754 R HN 0.616 nan 8.270 nan 0.000 0.457 1755 E N 2.347 122.142 120.200 -0.675 0.000 2.199 1755 E HA 0.397 4.746 4.350 -0.000 0.000 0.269 1755 E C -1.206 175.043 176.600 -0.585 0.000 0.899 1755 E CA -0.510 55.617 56.400 -0.456 0.000 0.772 1755 E CB 1.779 31.324 29.700 -0.257 0.000 1.155 1755 E HN 0.238 nan 8.360 nan 0.000 0.408 1756 F N 1.121 121.097 119.950 0.043 0.000 2.576 1756 F HA 0.386 4.913 4.527 -0.000 0.000 0.313 1756 F C 0.192 176.052 175.800 0.101 0.000 1.078 1756 F CA -0.952 57.111 58.000 0.104 0.000 0.921 1756 F CB 1.733 40.868 39.000 0.226 0.000 1.232 1756 F HN 0.045 nan 8.300 nan 0.000 0.459 1757 K N 2.453 123.030 120.400 0.294 0.000 2.265 1757 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 1757 K C -1.564 175.171 176.600 0.225 0.000 0.994 1757 K CA -0.419 55.993 56.287 0.209 0.000 0.860 1757 K CB 1.525 34.109 32.500 0.140 0.000 1.099 1757 K HN 0.507 nan 8.250 nan 0.000 0.448 1758 V N 3.460 123.532 119.914 0.262 0.000 2.409 1758 V HA 0.331 4.451 4.120 -0.000 0.000 0.291 1758 V C -0.366 175.923 176.094 0.324 0.000 1.020 1758 V CA -0.720 61.741 62.300 0.268 0.000 0.848 1758 V CB 1.696 33.740 31.823 0.369 0.000 0.990 1758 V HN 0.755 nan 8.190 nan 0.000 0.430 1759 T N 2.828 117.490 114.554 0.180 0.000 2.824 1759 T HA 0.293 4.643 4.350 -0.000 0.000 0.282 1759 T C -0.642 174.039 174.700 -0.031 0.000 0.993 1759 T CA -0.453 61.722 62.100 0.126 0.000 0.967 1759 T CB 1.618 70.539 68.868 0.088 0.000 0.960 1759 T HN 0.685 nan 8.240 nan 0.000 0.441 1760 D N 2.311 122.623 120.400 -0.146 0.000 2.352 1760 D HA 0.311 4.951 4.640 -0.000 0.000 0.245 1760 D C 1.143 177.326 176.300 -0.194 0.000 1.224 1760 D CA -0.524 53.279 54.000 -0.328 0.000 0.879 1760 D CB 1.067 41.665 40.800 -0.336 0.000 1.057 1760 D HN 0.608 nan 8.370 nan 0.000 0.491 1761 A N 4.988 127.676 122.820 -0.219 0.000 2.125 1761 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 1761 A C 2.072 179.576 177.584 -0.134 0.000 1.156 1761 A CA 0.957 52.913 52.037 -0.135 0.000 0.671 1761 A CB -0.103 18.828 19.000 -0.117 0.000 0.794 1761 A HN 0.618 nan 8.150 nan 0.000 0.459 1762 R N -0.147 120.225 120.500 -0.212 0.000 2.075 1762 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 1762 R C 0.838 177.069 176.300 -0.115 0.000 1.126 1762 R CA 1.522 57.499 56.100 -0.205 0.000 0.963 1762 R CB -0.133 29.950 30.300 -0.361 0.000 0.858 1762 R HN 0.737 nan 8.270 nan 0.000 0.435 1763 D N -2.807 117.546 120.400 -0.078 0.000 2.520 1763 D HA 0.127 4.767 4.640 -0.000 0.000 0.223 1763 D C 0.909 177.219 176.300 0.017 0.000 1.186 1763 D CA 0.453 54.442 54.000 -0.017 0.000 0.821 1763 D CB 0.597 41.404 40.800 0.013 0.000 1.072 1763 D HN 0.185 nan 8.370 nan 0.000 0.518 1764 G N 0.455 109.262 108.800 0.013 0.000 2.162 1764 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 1764 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 1764 G C 0.036 174.995 174.900 0.098 0.000 0.976 1764 G CA 0.121 45.246 45.100 0.041 0.000 0.655 1764 G HN 0.420 nan 8.290 nan 0.000 0.533 1765 Q N 0.496 120.389 119.800 0.156 0.000 2.293 1765 Q HA 0.543 4.883 4.340 -0.000 0.000 0.251 1765 Q C 0.377 176.610 176.000 0.388 0.000 0.930 1765 Q CA 0.698 56.654 55.803 0.255 0.000 0.893 1765 Q CB 1.490 30.428 28.738 0.333 0.000 1.215 1765 Q HN 0.748 nan 8.270 nan 0.000 0.425 1766 S N 2.055 117.960 115.700 0.342 0.000 2.627 1766 S HA 0.818 5.288 4.470 -0.000 0.000 0.283 1766 S C -0.723 174.037 174.600 0.267 0.000 1.127 1766 S CA -1.080 57.353 58.200 0.389 0.000 0.863 1766 S CB 2.335 65.678 63.200 0.239 0.000 1.121 1766 S HN 0.597 nan 8.310 nan 0.000 0.479 1767 R N -0.313 120.349 120.500 0.270 0.000 2.799 1767 R HA 0.678 5.018 4.340 -0.000 0.000 0.270 1767 R C -1.340 175.051 176.300 0.151 0.000 1.010 1767 R CA -0.876 55.295 56.100 0.117 0.000 0.916 1767 R CB 1.953 32.232 30.300 -0.035 0.000 1.228 1767 R HN 0.667 nan 8.270 nan 0.000 0.469 1768 T N 1.909 116.516 114.554 0.088 0.000 2.749 1768 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 1768 T C -0.401 174.360 174.700 0.101 0.000 0.970 1768 T CA -0.391 61.759 62.100 0.084 0.000 0.980 1768 T CB 0.542 69.403 68.868 -0.012 0.000 0.924 1768 T HN 0.162 nan 8.240 nan 0.000 0.456 1769 I N 3.569 124.263 120.570 0.207 0.000 2.354 1769 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 1769 I C 0.411 176.672 176.117 0.239 0.000 0.989 1769 I CA -0.484 60.969 61.300 0.255 0.000 1.188 1769 I CB 1.277 39.528 38.000 0.418 0.000 1.342 1769 I HN 0.369 nan 8.210 nan 0.000 0.457 1770 R N 4.865 125.450 120.500 0.141 0.000 2.343 1770 R HA 0.452 4.792 4.340 -0.000 0.000 0.320 1770 R C -0.621 175.733 176.300 0.090 0.000 0.956 1770 R CA -0.671 55.448 56.100 0.031 0.000 0.836 1770 R CB 1.504 31.796 30.300 -0.014 0.000 1.151 1770 R HN 0.535 nan 8.270 nan 0.000 0.450 1771 Q N 3.956 123.750 119.800 -0.010 0.000 2.322 1771 Q HA 0.303 4.643 4.340 -0.000 0.000 0.265 1771 Q C -1.421 174.519 176.000 -0.098 0.000 0.985 1771 Q CA -0.557 55.279 55.803 0.056 0.000 0.849 1771 Q CB 0.932 29.734 28.738 0.107 0.000 1.274 1771 Q HN 0.434 nan 8.270 nan 0.000 0.449 1772 F N 2.519 122.520 119.950 0.086 0.000 2.402 1772 F HA 0.294 4.820 4.527 -0.000 0.000 0.355 1772 F C 0.184 176.192 175.800 0.345 0.000 1.123 1772 F CA -0.535 57.604 58.000 0.233 0.000 1.021 1772 F CB 1.707 40.729 39.000 0.038 0.000 1.160 1772 F HN 0.425 nan 8.300 nan 0.000 0.451 1773 Q N 4.735 124.827 119.800 0.487 0.000 2.381 1773 Q HA 0.286 4.626 4.340 -0.000 0.000 0.263 1773 Q C -1.369 174.820 176.000 0.314 0.000 1.030 1773 Q CA -0.810 55.179 55.803 0.310 0.000 0.772 1773 Q CB 0.966 29.766 28.738 0.103 0.000 1.232 1773 Q HN 0.609 nan 8.270 nan 0.000 0.476 1774 F N 3.408 123.304 119.950 -0.089 0.000 2.506 1774 F HA 0.107 4.634 4.527 -0.000 0.000 0.371 1774 F C 0.947 176.741 175.800 -0.009 0.000 1.078 1774 F CA 0.627 58.427 58.000 -0.333 0.000 1.195 1774 F CB 1.125 39.704 39.000 -0.701 0.000 1.099 1774 F HN 0.572 nan 8.300 nan 0.000 0.548 1775 T N -0.366 113.967 114.554 -0.369 0.000 3.044 1775 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 1775 T C 0.665 175.192 174.700 -0.288 0.000 1.019 1775 T CA -0.026 61.954 62.100 -0.201 0.000 0.921 1775 T CB -0.145 68.661 68.868 -0.103 0.000 1.053 1775 T HN 0.462 nan 8.240 nan 0.000 0.533 1776 D N 0.533 120.505 120.400 -0.713 0.000 2.427 1776 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 1776 D C -0.739 175.548 176.300 -0.023 0.000 1.157 1776 D CA -0.608 53.150 54.000 -0.405 0.000 0.828 1776 D CB -0.029 40.478 40.800 -0.488 0.000 0.974 1776 D HN 0.447 nan 8.370 nan 0.000 0.498 1777 W N 3.135 124.450 121.300 0.024 0.000 2.311 1777 W HA 0.258 4.918 4.660 0.000 0.000 0.310 1777 W C -2.295 174.249 176.519 0.042 0.000 1.274 1777 W CA -2.227 55.206 57.345 0.146 0.000 1.215 1777 W CB 0.677 30.237 29.460 0.165 0.000 1.227 1777 W HN 0.008 nan 8.180 nan 0.000 0.523 1778 P HA -0.065 nan 4.420 nan 0.000 0.265 1778 P C 0.301 177.757 177.300 0.260 0.000 1.193 1778 P CA 0.696 63.861 63.100 0.108 0.000 0.765 1778 P CB 0.670 32.354 31.700 -0.027 0.000 0.823 1779 E N 1.002 121.298 120.200 0.159 0.000 2.409 1779 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 1779 E C 0.296 176.968 176.600 0.121 0.000 1.024 1779 E CA 0.860 57.342 56.400 0.137 0.000 0.861 1779 E CB 0.214 29.963 29.700 0.082 0.000 0.788 1779 E HN 0.542 nan 8.360 nan 0.000 0.521 1780 Q N -0.731 119.138 119.800 0.115 0.000 2.268 1780 Q HA 0.432 4.772 4.340 -0.000 0.000 0.266 1780 Q C -0.272 175.779 176.000 0.085 0.000 1.006 1780 Q CA -0.206 55.650 55.803 0.089 0.000 0.824 1780 Q CB 2.395 31.165 28.738 0.052 0.000 1.306 1780 Q HN 0.216 nan 8.270 nan 0.000 0.424 1781 G N 0.366 109.227 108.800 0.102 0.000 2.615 1781 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 1781 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 1781 G C -0.875 174.084 174.900 0.099 0.000 1.339 1781 G CA -0.431 44.710 45.100 0.068 0.000 0.884 1781 G HN 1.093 nan 8.290 nan 0.000 0.559 1782 V N -3.314 116.564 119.914 -0.060 0.000 3.001 1782 V HA 0.892 5.012 4.120 -0.000 0.000 0.314 1782 V C -2.457 173.355 176.094 -0.469 0.000 1.099 1782 V CA -2.037 60.082 62.300 -0.302 0.000 0.989 1782 V CB 1.740 33.464 31.823 -0.166 0.000 1.040 1782 V HN 0.825 nan 8.190 nan 0.000 0.434 1783 P HA 0.150 nan 4.420 nan 0.000 0.265 1783 P C 0.262 177.393 177.300 -0.282 0.000 1.187 1783 P CA 0.007 62.802 63.100 -0.507 0.000 0.766 1783 P CB 0.461 31.802 31.700 -0.599 0.000 0.820 1784 K N 1.455 121.753 120.400 -0.171 0.000 2.007 1784 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 1784 K C 1.815 178.366 176.600 -0.082 0.000 1.047 1784 K CA 2.307 58.531 56.287 -0.106 0.000 0.937 1784 K CB -1.160 31.299 32.500 -0.067 0.000 0.718 1784 K HN 0.631 nan 8.250 nan 0.000 0.438 1785 T N -3.748 110.769 114.554 -0.060 0.000 3.033 1785 T HA 0.190 4.540 4.350 -0.000 0.000 0.248 1785 T C 1.532 176.218 174.700 -0.023 0.000 1.040 1785 T CA 1.042 63.126 62.100 -0.028 0.000 1.133 1785 T CB 0.237 69.107 68.868 0.003 0.000 0.895 1785 T HN 0.330 nan 8.240 nan 0.000 0.465 1786 G N 1.184 109.966 108.800 -0.031 0.000 2.176 1786 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.253 1786 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.253 1786 G C 0.664 175.616 174.900 0.086 0.000 0.979 1786 G CA 0.716 45.819 45.100 0.005 0.000 0.641 1786 G HN 0.618 nan 8.290 nan 0.000 0.530 1787 E N 0.234 120.483 120.200 0.081 0.000 2.038 1787 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 1787 E C 2.693 179.384 176.600 0.152 0.000 1.000 1787 E CA 1.739 58.200 56.400 0.103 0.000 0.803 1787 E CB -0.701 29.052 29.700 0.088 0.000 0.750 1787 E HN 0.552 nan 8.360 nan 0.000 0.448 1788 G N 0.032 108.959 108.800 0.211 0.000 2.432 1788 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 1788 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 1788 G C 1.335 176.457 174.900 0.370 0.000 1.135 1788 G CA 0.496 45.794 45.100 0.329 0.000 0.767 1788 G HN 0.301 nan 8.290 nan 0.000 0.550 1789 F N 1.105 121.077 119.950 0.035 0.000 2.146 1789 F HA 0.128 4.655 4.527 -0.000 0.000 0.298 1789 F C 2.456 178.226 175.800 -0.049 0.000 1.096 1789 F CA 0.610 58.466 58.000 -0.240 0.000 1.275 1789 F CB -0.122 38.666 39.000 -0.354 0.000 1.008 1789 F HN 0.074 nan 8.300 nan 0.000 0.480 1790 I N 0.114 120.693 120.570 0.014 0.000 2.226 1790 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 1790 I C 2.202 178.248 176.117 -0.119 0.000 1.100 1790 I CA 1.959 63.188 61.300 -0.118 0.000 1.374 1790 I CB -0.501 37.464 38.000 -0.058 0.000 1.057 1790 I HN 0.111 nan 8.210 nan 0.000 0.413 1791 D N 0.612 121.019 120.400 0.011 0.000 2.123 1791 D HA -0.291 4.349 4.640 -0.000 0.000 0.196 1791 D C 2.082 178.367 176.300 -0.026 0.000 0.992 1791 D CA 1.355 55.377 54.000 0.037 0.000 0.833 1791 D CB -0.174 40.708 40.800 0.136 0.000 0.954 1791 D HN 0.270 nan 8.370 nan 0.000 0.455 1792 F N 0.912 120.737 119.950 -0.210 0.000 2.095 1792 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 1792 F C 2.050 177.645 175.800 -0.342 0.000 1.104 1792 F CA 1.380 59.169 58.000 -0.352 0.000 1.232 1792 F CB -0.345 38.445 39.000 -0.349 0.000 0.987 1792 F HN 0.021 nan 8.300 nan 0.000 0.475 1793 I N 0.038 120.386 120.570 -0.370 0.000 2.163 1793 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 1793 I C 2.738 178.703 176.117 -0.252 0.000 1.085 1793 I CA 1.544 62.599 61.300 -0.409 0.000 1.347 1793 I CB -1.459 36.188 38.000 -0.587 0.000 1.044 1793 I HN 0.316 nan 8.210 nan 0.000 0.408 1794 G N -0.045 108.611 108.800 -0.240 0.000 2.422 1794 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 1794 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 1794 G C 1.592 176.413 174.900 -0.132 0.000 1.146 1794 G CA 0.317 45.329 45.100 -0.148 0.000 0.769 1794 G HN 0.298 nan 8.290 nan 0.000 0.547 1795 Q N 0.200 119.869 119.800 -0.218 0.000 2.050 1795 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 1795 Q C 3.017 178.763 176.000 -0.424 0.000 0.980 1795 Q CA 1.093 56.776 55.803 -0.200 0.000 0.840 1795 Q CB -0.836 27.797 28.738 -0.175 0.000 0.898 1795 Q HN 0.393 nan 8.270 nan 0.000 0.424 1796 V N 1.183 120.581 119.914 -0.860 0.000 2.255 1796 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 1796 V C 2.233 177.985 176.094 -0.569 0.000 1.051 1796 V CA 2.014 63.598 62.300 -1.194 0.000 1.018 1796 V CB -0.782 30.432 31.823 -1.015 0.000 0.641 1796 V HN 0.454 nan 8.190 nan 0.000 0.445 1797 H N -0.089 118.809 119.070 -0.287 0.000 2.428 1797 H HA -0.096 4.460 4.556 -0.000 0.000 0.296 1797 H C 2.372 177.652 175.328 -0.079 0.000 1.062 1797 H CA 1.557 57.525 56.048 -0.134 0.000 1.350 1797 H CB 0.029 29.727 29.762 -0.108 0.000 1.403 1797 H HN 0.434 nan 8.280 nan 0.000 0.533 1798 K N 1.294 121.711 120.400 0.029 0.000 2.057 1798 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 1798 K C 1.759 178.396 176.600 0.063 0.000 1.050 1798 K CA 1.565 57.874 56.287 0.036 0.000 0.935 1798 K CB -0.026 32.492 32.500 0.029 0.000 0.715 1798 K HN 0.052 nan 8.250 nan 0.000 0.439 1799 T N 1.465 116.083 114.554 0.107 0.000 2.821 1799 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 1799 T C 1.789 176.665 174.700 0.295 0.000 1.046 1799 T CA 1.569 63.844 62.100 0.292 0.000 1.139 1799 T CB -0.067 69.091 68.868 0.483 0.000 0.871 1799 T HN 0.379 nan 8.240 nan 0.000 0.454 1800 K N 0.791 121.270 120.400 0.132 0.000 2.025 1800 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 1800 K C 2.221 178.876 176.600 0.091 0.000 1.049 1800 K CA 1.152 57.499 56.287 0.101 0.000 0.933 1800 K CB 0.086 32.580 32.500 -0.009 0.000 0.714 1800 K HN 0.146 nan 8.250 nan 0.000 0.438 1801 E N 0.744 120.977 120.200 0.054 0.000 2.107 1801 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 1801 E C 2.111 178.704 176.600 -0.013 0.000 0.982 1801 E CA 0.985 57.398 56.400 0.022 0.000 0.809 1801 E CB -0.102 29.607 29.700 0.015 0.000 0.756 1801 E HN 0.439 nan 8.360 nan 0.000 0.459 1802 Q N -0.393 119.379 119.800 -0.047 0.000 2.045 1802 Q HA -0.139 4.201 4.340 -0.000 0.000 0.206 1802 Q C 1.413 177.208 176.000 -0.342 0.000 0.991 1802 Q CA 1.407 57.069 55.803 -0.235 0.000 0.851 1802 Q CB -0.157 28.360 28.738 -0.367 0.000 0.911 1802 Q HN 0.237 nan 8.270 nan 0.000 0.418 1803 F N -0.578 119.392 119.950 0.033 0.000 2.693 1803 F HA 0.231 4.758 4.527 -0.000 0.000 0.303 1803 F C 1.232 177.041 175.800 0.016 0.000 1.143 1803 F CA 0.431 58.449 58.000 0.030 0.000 1.389 1803 F CB 0.185 39.212 39.000 0.046 0.000 1.060 1803 F HN 0.114 nan 8.300 nan 0.000 0.535 1804 G N 0.847 109.703 108.800 0.094 0.000 2.390 1804 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.299 1804 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.299 1804 G C 0.092 175.027 174.900 0.059 0.000 1.002 1804 G CA -0.181 44.951 45.100 0.054 0.000 0.979 1804 G HN 0.253 nan 8.290 nan 0.000 0.513 1805 Q N 0.159 120.006 119.800 0.078 0.000 2.307 1805 Q HA 0.237 4.577 4.340 -0.000 0.000 0.259 1805 Q C 0.440 176.441 176.000 0.002 0.000 0.998 1805 Q CA -0.201 55.628 55.803 0.043 0.000 0.923 1805 Q CB 1.157 29.932 28.738 0.061 0.000 1.196 1805 Q HN 0.412 nan 8.270 nan 0.000 0.416 1806 D N 1.531 121.919 120.400 -0.021 0.000 2.349 1806 D HA 0.088 4.728 4.640 -0.000 0.000 0.214 1806 D C 0.915 177.182 176.300 -0.054 0.000 1.063 1806 D CA 0.184 54.160 54.000 -0.040 0.000 0.847 1806 D CB 0.603 41.378 40.800 -0.042 0.000 0.933 1806 D HN 0.550 nan 8.370 nan 0.000 0.513 1807 G N 1.740 110.508 108.800 -0.052 0.000 2.563 1807 G HA2 0.354 4.314 3.960 -0.000 0.000 0.283 1807 G HA3 0.354 4.314 3.960 -0.000 0.000 0.283 1807 G C -2.402 172.466 174.900 -0.053 0.000 1.309 1807 G CA -0.789 44.282 45.100 -0.049 0.000 1.022 1807 G HN -0.070 nan 8.290 nan 0.000 0.501 1808 P HA 0.304 nan 4.420 nan 0.000 0.276 1808 P C -0.448 176.825 177.300 -0.046 0.000 1.252 1808 P CA -0.300 62.775 63.100 -0.041 0.000 0.802 1808 P CB 1.278 33.024 31.700 0.076 0.000 1.035 1809 I N 0.874 121.404 120.570 -0.067 0.000 2.315 1809 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 1809 I C 0.491 176.658 176.117 0.084 0.000 1.006 1809 I CA -0.192 61.109 61.300 0.002 0.000 1.265 1809 I CB 0.876 38.897 38.000 0.036 0.000 1.387 1809 I HN 0.132 nan 8.210 nan 0.000 0.475 1810 T N 6.335 120.907 114.554 0.030 0.000 2.743 1810 T HA 0.366 4.716 4.350 -0.000 0.000 0.293 1810 T C -0.052 174.676 174.700 0.047 0.000 0.945 1810 T CA -0.348 61.774 62.100 0.037 0.000 1.030 1810 T CB 0.993 69.847 68.868 -0.023 0.000 0.912 1810 T HN 0.213 nan 8.240 nan 0.000 0.483 1811 V N 6.199 126.139 119.914 0.044 0.000 2.448 1811 V HA 0.531 4.651 4.120 -0.000 0.000 0.295 1811 V C -0.099 176.004 176.094 0.015 0.000 1.025 1811 V CA -0.937 61.320 62.300 -0.071 0.000 0.859 1811 V CB 1.208 32.968 31.823 -0.104 0.000 0.988 1811 V HN 0.996 nan 8.190 nan 0.000 0.431 1812 H N 2.901 121.940 119.070 -0.052 0.000 2.961 1812 H HA 0.768 5.324 4.556 -0.000 0.000 0.371 1812 H C -0.528 174.766 175.328 -0.057 0.000 1.190 1812 H CA -0.403 55.613 56.048 -0.053 0.000 1.138 1812 H CB 1.889 31.610 29.762 -0.067 0.000 1.816 1812 H HN 0.797 nan 8.280 nan 0.000 0.551 1813 C N 1.246 120.592 119.300 0.077 0.000 4.239 1813 C HA 0.480 4.939 4.460 -0.000 0.000 0.179 1813 C C 2.022 177.028 174.990 0.027 0.000 3.668 1813 C CA 0.648 59.662 59.018 -0.007 0.000 1.689 1813 C CB 0.703 28.359 27.740 -0.140 0.000 4.158 1813 C HN 0.879 nan 8.230 nan 0.000 0.461 1814 S N 2.151 117.827 115.700 -0.039 0.000 2.315 1814 S HA 0.272 4.742 4.470 -0.000 0.000 0.211 1814 S C 1.667 176.249 174.600 -0.031 0.000 1.029 1814 S CA 1.229 59.413 58.200 -0.028 0.000 0.956 1814 S CB -1.041 62.131 63.200 -0.046 0.000 0.918 1814 S HN 1.522 nan 8.310 nan 0.000 0.470 1815 A N 0.251 123.045 122.820 -0.043 0.000 2.348 1815 A HA 0.635 4.955 4.320 -0.000 0.000 0.224 1815 A C 1.486 179.043 177.584 -0.045 0.000 1.227 1815 A CA 0.346 52.354 52.037 -0.047 0.000 0.885 1815 A CB -0.695 18.274 19.000 -0.052 0.000 0.933 1815 A HN 1.589 nan 8.150 nan 0.000 0.506 1816 G N -0.749 108.030 108.800 -0.035 0.000 2.198 1816 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.257 1816 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.257 1816 G C 0.806 175.689 174.900 -0.029 0.000 1.042 1816 G CA 0.927 46.013 45.100 -0.024 0.000 0.791 1816 G HN 1.670 nan 8.290 nan 0.000 0.502 1817 V N -4.728 115.165 119.914 -0.035 0.000 3.305 1817 V HA 0.619 4.739 4.120 -0.000 0.000 0.247 1817 V C 2.045 178.132 176.094 -0.010 0.000 1.426 1817 V CA 1.424 63.712 62.300 -0.021 0.000 1.162 1817 V CB -0.400 31.408 31.823 -0.026 0.000 0.961 1817 V HN 0.888 nan 8.190 nan 0.000 0.449 1818 G N 1.287 110.064 108.800 -0.039 0.000 2.654 1818 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.215 1818 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.215 1818 G C 1.515 176.359 174.900 -0.092 0.000 1.310 1818 G CA 0.719 45.792 45.100 -0.046 0.000 0.866 1818 G HN 0.415 nan 8.290 nan 0.000 0.558 1819 R N -0.146 120.197 120.500 -0.261 0.000 2.096 1819 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 1819 R C 2.731 178.956 176.300 -0.124 0.000 1.127 1819 R CA 1.599 57.422 56.100 -0.462 0.000 0.968 1819 R CB -0.763 29.003 30.300 -0.889 0.000 0.861 1819 R HN 0.283 nan 8.270 nan 0.000 0.440 1820 T N 0.147 114.659 114.554 -0.069 0.000 2.833 1820 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 1820 T C 1.896 176.651 174.700 0.092 0.000 1.054 1820 T CA 1.441 63.559 62.100 0.030 0.000 1.135 1820 T CB -0.329 68.535 68.868 -0.006 0.000 0.869 1820 T HN 0.551 nan 8.240 nan 0.000 0.466 1821 G N 0.974 109.805 108.800 0.052 0.000 2.402 1821 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 1821 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 1821 G C 1.673 176.632 174.900 0.097 0.000 1.162 1821 G CA 0.785 45.923 45.100 0.064 0.000 0.777 1821 G HN 0.445 nan 8.290 nan 0.000 0.539 1822 V N 0.395 120.390 119.914 0.135 0.000 2.358 1822 V HA -0.109 4.010 4.120 -0.000 0.000 0.246 1822 V C 2.291 178.543 176.094 0.263 0.000 1.047 1822 V CA 1.707 64.114 62.300 0.179 0.000 1.035 1822 V CB -0.712 31.233 31.823 0.204 0.000 0.658 1822 V HN 0.352 nan 8.190 nan 0.000 0.452 1823 F N 0.825 120.925 119.950 0.250 0.000 2.046 1823 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 1823 F C 2.177 177.960 175.800 -0.029 0.000 1.123 1823 F CA 2.064 60.197 58.000 0.223 0.000 1.199 1823 F CB -0.248 38.863 39.000 0.185 0.000 0.972 1823 F HN 0.030 nan 8.300 nan 0.000 0.474 1824 I N -0.670 119.903 120.570 0.006 0.000 2.226 1824 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 1824 I C 2.253 178.218 176.117 -0.253 0.000 1.100 1824 I CA 1.650 62.753 61.300 -0.329 0.000 1.374 1824 I CB -0.977 36.819 38.000 -0.340 0.000 1.057 1824 I HN 0.179 nan 8.210 nan 0.000 0.413 1825 T N 1.460 115.947 114.554 -0.112 0.000 2.684 1825 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 1825 T C 1.962 176.584 174.700 -0.130 0.000 1.036 1825 T CA 1.397 63.449 62.100 -0.081 0.000 1.148 1825 T CB -0.310 68.547 68.868 -0.018 0.000 0.863 1825 T HN 0.236 nan 8.240 nan 0.000 0.436 1826 L N 0.610 121.744 121.223 -0.149 0.000 2.093 1826 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 1826 L C 2.869 179.555 176.870 -0.307 0.000 1.085 1826 L CA 0.771 55.493 54.840 -0.196 0.000 0.755 1826 L CB -0.502 41.475 42.059 -0.137 0.000 0.904 1826 L HN 0.214 nan 8.230 nan 0.000 0.435 1827 S N 0.173 115.621 115.700 -0.420 0.000 2.374 1827 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 1827 S C 1.914 176.345 174.600 -0.282 0.000 1.037 1827 S CA 1.488 59.409 58.200 -0.465 0.000 1.024 1827 S CB -0.246 62.693 63.200 -0.435 0.000 0.861 1827 S HN 0.285 nan 8.310 nan 0.000 0.456 1828 I N 0.545 121.012 120.570 -0.171 0.000 2.162 1828 I HA -0.108 4.062 4.170 -0.000 0.000 0.238 1828 I C 2.209 178.214 176.117 -0.188 0.000 1.076 1828 I CA 0.810 62.053 61.300 -0.094 0.000 1.353 1828 I CB -0.486 37.515 38.000 0.003 0.000 1.063 1828 I HN 0.123 nan 8.210 nan 0.000 0.408 1829 V N 1.318 121.141 119.914 -0.152 0.000 2.287 1829 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 1829 V C 2.416 178.444 176.094 -0.111 0.000 1.053 1829 V CA 1.722 63.943 62.300 -0.131 0.000 1.027 1829 V CB -0.551 31.204 31.823 -0.114 0.000 0.646 1829 V HN 0.362 nan 8.190 nan 0.000 0.447 1830 L N -0.245 120.895 121.223 -0.138 0.000 2.083 1830 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 1830 L C 2.566 179.465 176.870 0.048 0.000 1.083 1830 L CA 2.110 56.909 54.840 -0.069 0.000 0.752 1830 L CB -0.564 41.260 42.059 -0.390 0.000 0.899 1830 L HN 0.472 nan 8.230 nan 0.000 0.433 1831 E N 0.538 120.680 120.200 -0.097 0.000 2.112 1831 E HA -0.230 4.120 4.350 -0.000 0.000 0.190 1831 E C 2.325 178.881 176.600 -0.073 0.000 0.979 1831 E CA 0.577 56.971 56.400 -0.010 0.000 0.814 1831 E CB 0.161 29.812 29.700 -0.082 0.000 0.762 1831 E HN 0.261 nan 8.360 nan 0.000 0.460 1832 R N 0.178 120.427 120.500 -0.418 0.000 2.115 1832 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 1832 R C 2.340 178.611 176.300 -0.048 0.000 1.111 1832 R CA 1.333 57.142 56.100 -0.484 0.000 0.976 1832 R CB -0.149 29.829 30.300 -0.535 0.000 0.870 1832 R HN 0.256 nan 8.270 nan 0.000 0.445 1833 M N -0.097 119.520 119.600 0.028 0.000 2.229 1833 M HA -0.140 4.339 4.480 -0.000 0.000 0.264 1833 M C 2.283 178.686 176.300 0.172 0.000 1.063 1833 M CA 1.501 56.872 55.300 0.118 0.000 1.114 1833 M CB -0.008 32.683 32.600 0.151 0.000 1.387 1833 M HN 0.115 nan 8.290 nan 0.000 0.420 1834 R N -0.891 119.724 120.500 0.192 0.000 2.092 1834 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 1834 R C 1.298 177.499 176.300 -0.165 0.000 1.119 1834 R CA 1.817 57.918 56.100 0.001 0.000 0.970 1834 R CB -0.060 30.239 30.300 -0.002 0.000 0.864 1834 R HN 0.416 nan 8.270 nan 0.000 0.440 1835 Y N -0.994 119.318 120.300 0.021 0.000 2.497 1835 Y HA 0.216 4.766 4.550 -0.000 0.000 0.265 1835 Y C 1.193 177.144 175.900 0.085 0.000 1.111 1835 Y CA 0.352 58.485 58.100 0.056 0.000 1.288 1835 Y CB 0.754 39.291 38.460 0.128 0.000 1.082 1835 Y HN 0.075 nan 8.280 nan 0.000 0.536 1836 E N -1.183 119.148 120.200 0.219 0.000 2.562 1836 E HA 0.200 4.550 4.350 -0.000 0.000 0.214 1836 E C 1.247 177.922 176.600 0.125 0.000 0.979 1836 E CA 0.379 56.890 56.400 0.185 0.000 1.002 1836 E CB 0.774 30.605 29.700 0.218 0.000 1.048 1836 E HN 0.369 nan 8.360 nan 0.000 0.488 1837 G N 2.015 110.876 108.800 0.102 0.000 2.203 1837 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 1837 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 1837 G C 0.314 175.258 174.900 0.074 0.000 1.012 1837 G CA 0.829 45.981 45.100 0.085 0.000 0.749 1837 G HN 0.327 nan 8.290 nan 0.000 0.512 1838 V N -4.258 115.701 119.914 0.074 0.000 3.130 1838 V HA 0.927 5.047 4.120 -0.000 0.000 0.310 1838 V C -0.236 175.880 176.094 0.035 0.000 1.158 1838 V CA -1.145 61.184 62.300 0.048 0.000 1.029 1838 V CB 2.511 34.368 31.823 0.056 0.000 1.057 1838 V HN 0.704 nan 8.190 nan 0.000 0.436 1839 V N 1.372 121.291 119.914 0.009 0.000 2.623 1839 V HA 0.612 4.732 4.120 -0.000 0.000 0.304 1839 V C -1.336 174.753 176.094 -0.009 0.000 1.054 1839 V CA -0.044 62.258 62.300 0.003 0.000 0.882 1839 V CB 1.634 33.468 31.823 0.018 0.000 1.002 1839 V HN 1.052 nan 8.190 nan 0.000 0.424 1840 D N 3.826 124.231 120.400 0.009 0.000 2.400 1840 D HA 0.344 4.984 4.640 -0.000 0.000 0.272 1840 D C 0.606 176.944 176.300 0.064 0.000 1.220 1840 D CA -0.470 53.555 54.000 0.043 0.000 0.897 1840 D CB 1.594 42.432 40.800 0.063 0.000 1.134 1840 D HN 0.423 nan 8.370 nan 0.000 0.507 1841 M N 2.288 121.903 119.600 0.025 0.000 2.086 1841 M HA -0.020 4.460 4.480 -0.000 0.000 0.261 1841 M C 1.534 177.952 176.300 0.196 0.000 1.067 1841 M CA 1.370 56.637 55.300 -0.055 0.000 1.116 1841 M CB -0.460 31.815 32.600 -0.541 0.000 1.348 1841 M HN 0.416 nan 8.290 nan 0.000 0.407 1842 F N 0.569 120.635 119.950 0.193 0.000 2.069 1842 F HA -0.321 4.206 4.527 -0.000 0.000 0.298 1842 F C 2.271 178.144 175.800 0.121 0.000 1.113 1842 F CA 1.930 60.059 58.000 0.214 0.000 1.214 1842 F CB -0.422 38.698 39.000 0.200 0.000 0.978 1842 F HN 0.199 nan 8.300 nan 0.000 0.474 1843 Q N -0.242 119.721 119.800 0.271 0.000 2.124 1843 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 1843 Q C 2.178 178.203 176.000 0.042 0.000 0.977 1843 Q CA 2.024 57.912 55.803 0.142 0.000 0.850 1843 Q CB -1.193 27.669 28.738 0.208 0.000 0.901 1843 Q HN 0.443 nan 8.270 nan 0.000 0.429 1844 T N 1.106 115.695 114.554 0.058 0.000 2.674 1844 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 1844 T C 2.164 176.862 174.700 -0.003 0.000 1.039 1844 T CA 1.553 63.676 62.100 0.038 0.000 1.150 1844 T CB -0.351 68.534 68.868 0.028 0.000 0.864 1844 T HN 0.054 nan 8.240 nan 0.000 0.427 1845 V N 1.805 121.709 119.914 -0.016 0.000 2.427 1845 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 1845 V C 2.509 178.514 176.094 -0.148 0.000 1.051 1845 V CA 1.579 63.852 62.300 -0.044 0.000 1.048 1845 V CB -0.615 31.218 31.823 0.017 0.000 0.666 1845 V HN 0.463 nan 8.190 nan 0.000 0.456 1846 K N 0.064 120.303 120.400 -0.269 0.000 2.063 1846 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 1846 K C 2.171 178.660 176.600 -0.185 0.000 1.048 1846 K CA 2.090 58.186 56.287 -0.318 0.000 0.928 1846 K CB -0.327 31.914 32.500 -0.431 0.000 0.713 1846 K HN 0.449 nan 8.250 nan 0.000 0.442 1847 T N 1.662 116.147 114.554 -0.116 0.000 2.777 1847 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 1847 T C 1.600 176.261 174.700 -0.065 0.000 1.040 1847 T CA 0.871 62.920 62.100 -0.085 0.000 1.141 1847 T CB -0.044 68.823 68.868 -0.000 0.000 0.868 1847 T HN 0.066 nan 8.240 nan 0.000 0.444 1848 L N 1.358 122.565 121.223 -0.027 0.000 2.083 1848 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 1848 L C 2.413 179.293 176.870 0.016 0.000 1.083 1848 L CA 1.549 56.395 54.840 0.010 0.000 0.752 1848 L CB -1.033 41.035 42.059 0.015 0.000 0.899 1848 L HN 0.231 nan 8.230 nan 0.000 0.433 1849 R N -0.751 119.738 120.500 -0.019 0.000 2.237 1849 R HA -0.101 4.239 4.340 -0.000 0.000 0.219 1849 R C 1.895 178.252 176.300 0.095 0.000 1.080 1849 R CA 1.449 57.563 56.100 0.024 0.000 0.995 1849 R CB -0.418 29.857 30.300 -0.043 0.000 0.875 1849 R HN 0.566 nan 8.270 nan 0.000 0.462 1850 T N -2.656 111.860 114.554 -0.063 0.000 3.088 1850 T HA -0.001 4.349 4.350 -0.000 0.000 0.259 1850 T C 1.573 176.302 174.700 0.049 0.000 1.122 1850 T CA 0.473 62.449 62.100 -0.208 0.000 1.095 1850 T CB 0.246 68.647 68.868 -0.779 0.000 0.930 1850 T HN 0.250 nan 8.240 nan 0.000 0.508 1851 Q N 0.017 119.924 119.800 0.178 0.000 2.396 1851 Q HA 0.352 4.692 4.340 -0.000 0.000 0.220 1851 Q C 0.863 177.049 176.000 0.311 0.000 0.900 1851 Q CA 0.088 56.042 55.803 0.253 0.000 0.925 1851 Q CB 0.761 29.590 28.738 0.152 0.000 1.065 1851 Q HN 0.379 nan 8.270 nan 0.000 0.535 1852 R N 1.065 121.679 120.500 0.191 0.000 2.536 1852 R HA 0.276 4.615 4.340 -0.000 0.000 0.269 1852 R C -2.968 173.259 176.300 -0.122 0.000 1.113 1852 R CA -1.921 54.114 56.100 -0.108 0.000 0.948 1852 R CB 1.875 32.145 30.300 -0.049 0.000 1.237 1852 R HN -0.158 nan 8.270 nan 0.000 0.441 1853 P HA 0.081 nan 4.420 nan 0.000 0.271 1853 P C -0.303 176.973 177.300 -0.039 0.000 1.218 1853 P CA 0.724 63.775 63.100 -0.082 0.000 0.780 1853 P CB 1.321 32.983 31.700 -0.063 0.000 0.901 1854 A N 1.323 124.143 122.820 -0.001 0.000 2.899 1854 A HA -0.179 4.141 4.320 -0.000 0.000 0.257 1854 A C 0.641 178.232 177.584 0.012 0.000 1.335 1854 A CA 0.613 52.648 52.037 -0.005 0.000 0.924 1854 A CB -2.477 16.519 19.000 -0.007 0.000 1.105 1854 A HN 0.426 nan 8.150 nan 0.000 0.765 1855 M N -0.461 119.144 119.600 0.009 0.000 2.290 1855 M HA 0.279 4.759 4.480 -0.000 0.000 0.356 1855 M C 1.063 177.405 176.300 0.070 0.000 1.448 1855 M CA 1.340 56.657 55.300 0.027 0.000 0.993 1855 M CB -0.566 32.046 32.600 0.020 0.000 1.934 1855 M HN 1.152 nan 8.290 nan 0.000 0.461 1856 V N 3.574 123.548 119.914 0.100 0.000 5.198 1856 V HA -0.255 3.865 4.120 -0.000 0.000 0.348 1856 V C 1.272 177.518 176.094 0.253 0.000 0.661 1856 V CA 0.895 63.302 62.300 0.178 0.000 1.358 1856 V CB -1.907 30.070 31.823 0.257 0.000 1.628 1856 V HN 1.022 nan 8.190 nan 0.000 0.466 1857 Q N 1.354 121.260 119.800 0.177 0.000 2.079 1857 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 1857 Q C 1.212 177.394 176.000 0.303 0.000 0.974 1857 Q CA 1.733 57.656 55.803 0.200 0.000 0.840 1857 Q CB 0.344 29.135 28.738 0.089 0.000 0.898 1857 Q HN 1.060 nan 8.270 nan 0.000 0.430 1858 T N -3.555 111.068 114.554 0.115 0.000 2.932 1858 T HA 0.219 4.569 4.350 -0.000 0.000 0.289 1858 T C 0.461 174.792 174.700 -0.615 0.000 1.039 1858 T CA -0.786 61.257 62.100 -0.095 0.000 1.024 1858 T CB 1.700 70.545 68.868 -0.038 0.000 1.090 1858 T HN 0.191 nan 8.240 nan 0.000 0.496 1859 E N 0.503 120.185 120.200 -0.864 0.000 2.153 1859 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 1859 E C 1.361 177.760 176.600 -0.335 0.000 0.988 1859 E CA 1.736 57.565 56.400 -0.951 0.000 0.811 1859 E CB -0.090 29.315 29.700 -0.491 0.000 0.746 1859 E HN 0.819 nan 8.360 nan 0.000 0.466 1860 D N 0.043 120.331 120.400 -0.187 0.000 2.264 1860 D HA -0.203 4.437 4.640 -0.000 0.000 0.208 1860 D C 1.687 177.966 176.300 -0.034 0.000 0.966 1860 D CA 0.956 54.910 54.000 -0.076 0.000 0.864 1860 D CB -0.411 40.364 40.800 -0.042 0.000 0.933 1860 D HN 0.301 nan 8.370 nan 0.000 0.499 1861 Q N -1.374 118.414 119.800 -0.020 0.000 2.137 1861 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 1861 Q C 1.706 177.751 176.000 0.075 0.000 0.960 1861 Q CA 0.681 56.522 55.803 0.064 0.000 0.847 1861 Q CB -0.231 28.571 28.738 0.107 0.000 0.915 1861 Q HN 0.308 nan 8.270 nan 0.000 0.448 1862 Y N 1.403 121.636 120.300 -0.111 0.000 2.181 1862 Y HA -0.237 4.313 4.550 -0.000 0.000 0.288 1862 Y C 2.330 178.257 175.900 0.044 0.000 1.146 1862 Y CA 1.511 59.592 58.100 -0.031 0.000 1.164 1862 Y CB 0.040 38.459 38.460 -0.068 0.000 0.982 1862 Y HN 0.064 nan 8.280 nan 0.000 0.515 1863 Q N 0.102 119.932 119.800 0.050 0.000 2.124 1863 Q HA -0.195 4.144 4.340 -0.000 0.000 0.202 1863 Q C 2.410 178.411 176.000 0.002 0.000 0.977 1863 Q CA 1.460 57.285 55.803 0.036 0.000 0.850 1863 Q CB -0.491 28.253 28.738 0.010 0.000 0.901 1863 Q HN 0.569 nan 8.270 nan 0.000 0.429 1864 L N 0.102 121.307 121.223 -0.031 0.000 2.131 1864 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 1864 L C 2.275 179.110 176.870 -0.059 0.000 1.092 1864 L CA 1.104 55.909 54.840 -0.059 0.000 0.759 1864 L CB -0.411 41.590 42.059 -0.097 0.000 0.903 1864 L HN 0.350 nan 8.230 nan 0.000 0.435 1865 C N -0.796 118.450 119.300 -0.091 0.000 2.413 1865 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 1865 C C 2.525 177.406 174.990 -0.182 0.000 1.248 1865 C CA 0.511 59.435 59.018 -0.156 0.000 1.742 1865 C CB -1.088 26.497 27.740 -0.257 0.000 2.017 1865 C HN 0.527 nan 8.230 nan 0.000 0.481 1866 Y N 0.787 120.984 120.300 -0.172 0.000 2.220 1866 Y HA -0.086 4.464 4.550 -0.000 0.000 0.291 1866 Y C 2.713 178.562 175.900 -0.085 0.000 1.129 1866 Y CA 1.354 59.372 58.100 -0.135 0.000 1.161 1866 Y CB -0.555 37.805 38.460 -0.166 0.000 0.997 1866 Y HN 0.225 nan 8.280 nan 0.000 0.522 1867 R N -0.469 120.079 120.500 0.081 0.000 2.083 1867 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 1867 R C 2.435 178.747 176.300 0.020 0.000 1.137 1867 R CA 1.312 57.429 56.100 0.028 0.000 0.951 1867 R CB -0.593 29.701 30.300 -0.009 0.000 0.851 1867 R HN 0.324 nan 8.270 nan 0.000 0.434 1868 A N 0.842 123.666 122.820 0.005 0.000 1.930 1868 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 1868 A C 2.310 179.910 177.584 0.027 0.000 1.175 1868 A CA 1.613 53.657 52.037 0.012 0.000 0.627 1868 A CB -0.537 18.468 19.000 0.009 0.000 0.815 1868 A HN 0.421 nan 8.150 nan 0.000 0.443 1869 A N -0.616 122.214 122.820 0.018 0.000 1.930 1869 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 1869 A C 2.086 179.689 177.584 0.032 0.000 1.175 1869 A CA 1.664 53.723 52.037 0.037 0.000 0.627 1869 A CB -0.552 18.456 19.000 0.014 0.000 0.815 1869 A HN 0.560 nan 8.150 nan 0.000 0.443 1870 L N -0.142 121.104 121.223 0.037 0.000 2.046 1870 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1870 L C 2.270 179.126 176.870 -0.024 0.000 1.077 1870 L CA 2.096 56.946 54.840 0.018 0.000 0.747 1870 L CB -0.714 41.377 42.059 0.053 0.000 0.896 1870 L HN 0.377 nan 8.230 nan 0.000 0.432 1871 E N -0.974 119.229 120.200 0.005 0.000 2.033 1871 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 1871 E C 2.197 178.784 176.600 -0.020 0.000 1.011 1871 E CA 1.848 58.251 56.400 0.005 0.000 0.815 1871 E CB -0.658 29.064 29.700 0.037 0.000 0.755 1871 E HN 0.566 nan 8.360 nan 0.000 0.451 1872 Y N 1.504 121.712 120.300 -0.153 0.000 2.151 1872 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 1872 Y C 2.363 177.911 175.900 -0.587 0.000 1.166 1872 Y CA 1.239 59.201 58.100 -0.231 0.000 1.163 1872 Y CB -0.660 37.706 38.460 -0.157 0.000 0.974 1872 Y HN 0.038 nan 8.280 nan 0.000 0.511 1873 L N -0.722 120.124 121.223 -0.627 0.000 2.042 1873 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 1873 L C 2.350 178.751 176.870 -0.782 0.000 1.076 1873 L CA 2.008 56.282 54.840 -0.944 0.000 0.749 1873 L CB -1.093 40.734 42.059 -0.387 0.000 0.893 1873 L HN 0.450 nan 8.230 nan 0.000 0.432 1874 G N -1.386 107.179 108.800 -0.392 0.000 2.484 1874 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.218 1874 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.218 1874 G C 1.621 176.408 174.900 -0.188 0.000 1.130 1874 G CA 0.769 45.734 45.100 -0.225 0.000 0.784 1874 G HN 0.566 nan 8.290 nan 0.000 0.543 1875 S N -0.127 115.428 115.700 -0.242 0.000 2.555 1875 S HA 0.198 4.668 4.470 -0.000 0.000 0.230 1875 S C 0.905 175.535 174.600 0.049 0.000 0.978 1875 S CA -0.369 57.785 58.200 -0.076 0.000 0.934 1875 S CB -0.377 62.823 63.200 0.000 0.000 0.766 1875 S HN -0.005 nan 8.310 nan 0.000 0.533 1876 F N 0.000 119.838 119.950 -0.187 0.000 2.286 1876 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1876 F CA 0.000 57.892 58.000 -0.180 0.000 1.383 1876 F CB 0.000 38.875 39.000 -0.209 0.000 1.145 1876 F HN 0.000 nan 8.300 nan 0.000 0.574