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 3ohx_1_F DATA FIRST_RESID 1336 DATA SEQUENCE cNKFDLKVTI KPAPEXXXXX XXAKNTMILE IcTRYRGDQD ATMSILDISM DATA SEQUENCE MTGFAPDTDD LKQLANGVDR YISKYELDKA FSDRNTLIIY LDKVSHSEDD DATA SEQUENCE cLAFKVHQYF NVELIQPGAV KVYAYYNLEE ScTRFYHPEK EDGKLNKLcR DATA SEQUENCE DELcRCAEEN cFIXXXXDKV TLEERLDKAc EPGVDYVYKT RLVKVQLSND DATA SEQUENCE FDEYIMAIEQ TIKSGSDEVQ VGQQRTFISP IKcREALKLE EKKHYLMWGL DATA SEQUENCE SSDFWGEKPN LSYIIGKDTW VEHWPEEDEc QDEENQKQcQ DLGAFTESMV DATA SEQUENCE VFGcPN 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 1336 c HA 0.000 nan 4.570 nan 0.000 0.325 1336 c C 0.000 174.154 174.090 0.106 0.000 1.270 1336 c CA 0.000 56.395 56.329 0.110 0.000 1.963 1336 c CB 0.000 42.572 42.510 0.104 0.000 2.134 1337 N N 1.083 119.830 118.700 0.079 0.000 2.282 1337 N HA -0.355 4.385 4.740 -0.000 0.000 0.222 1337 N C 0.378 175.892 175.510 0.008 0.000 0.937 1337 N CA 2.739 55.811 53.050 0.036 0.000 2.775 1337 N CB -1.309 37.192 38.487 0.024 0.000 0.817 1337 N HN 0.687 nan 8.380 nan 0.000 0.463 1338 K N -1.185 119.251 120.400 0.060 0.000 2.228 1338 K HA 0.318 4.638 4.320 -0.000 0.000 0.202 1338 K C -0.330 176.200 176.600 -0.117 0.000 1.051 1338 K CA 0.994 57.271 56.287 -0.017 0.000 0.960 1338 K CB 0.060 32.648 32.500 0.147 0.000 0.743 1338 K HN 0.316 nan 8.250 nan 0.000 0.458 1339 F N 0.218 120.259 119.950 0.153 0.000 2.577 1339 F HA 0.296 4.823 4.527 0.000 0.000 0.318 1339 F C -0.401 175.453 175.800 0.090 0.000 1.065 1339 F CA -1.264 56.834 58.000 0.164 0.000 0.929 1339 F CB 1.714 40.803 39.000 0.149 0.000 1.237 1339 F HN -0.216 nan 8.300 nan 0.000 0.468 1340 D N 1.782 122.344 120.400 0.271 0.000 2.181 1340 D HA 0.577 5.217 4.640 -0.000 0.000 0.248 1340 D C -1.334 175.055 176.300 0.148 0.000 1.020 1340 D CA -0.157 53.939 54.000 0.160 0.000 0.891 1340 D CB 2.194 43.055 40.800 0.103 0.000 1.187 1340 D HN 0.242 nan 8.370 nan 0.000 0.443 1341 L N 1.973 123.253 121.223 0.096 0.000 2.555 1341 L HA 0.318 4.658 4.340 -0.000 0.000 0.264 1341 L C -1.443 175.452 176.870 0.041 0.000 0.972 1341 L CA -0.496 54.380 54.840 0.061 0.000 0.876 1341 L CB 1.318 43.406 42.059 0.047 0.000 1.216 1341 L HN 0.113 nan 8.230 nan 0.000 0.415 1342 K N 3.386 123.800 120.400 0.023 0.000 2.367 1342 K HA 0.687 5.007 4.320 -0.000 0.000 0.263 1342 K C -1.147 175.444 176.600 -0.014 0.000 1.000 1342 K CA -0.282 56.013 56.287 0.013 0.000 0.891 1342 K CB 1.946 34.451 32.500 0.008 0.000 1.117 1342 K HN 0.281 nan 8.250 nan 0.000 0.443 1343 V N 3.642 123.554 119.914 -0.004 0.000 2.293 1343 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 1343 V C -0.471 175.586 176.094 -0.062 0.000 1.021 1343 V CA -0.847 61.428 62.300 -0.043 0.000 0.815 1343 V CB 1.045 32.881 31.823 0.022 0.000 1.025 1343 V HN 0.767 nan 8.190 nan 0.000 0.448 1344 T N 4.566 119.050 114.554 -0.116 0.000 2.747 1344 T HA 0.482 4.832 4.350 -0.000 0.000 0.301 1344 T C -0.210 174.380 174.700 -0.183 0.000 0.952 1344 T CA -0.189 61.846 62.100 -0.108 0.000 0.983 1344 T CB 1.074 69.887 68.868 -0.091 0.000 0.930 1344 T HN 0.316 nan 8.240 nan 0.000 0.494 1345 I N 4.235 124.715 120.570 -0.150 0.000 2.313 1345 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 1345 I C -0.172 175.883 176.117 -0.102 0.000 1.091 1345 I CA -0.936 60.247 61.300 -0.195 0.000 1.216 1345 I CB -0.388 37.517 38.000 -0.159 0.000 1.434 1345 I HN 0.469 nan 8.210 nan 0.000 0.487 1346 K N 7.296 127.631 120.400 -0.108 0.000 2.156 1346 K HA 0.634 4.954 4.320 -0.000 0.000 0.250 1346 K C -2.614 173.953 176.600 -0.055 0.000 0.955 1346 K CA -1.812 54.436 56.287 -0.064 0.000 0.855 1346 K CB 0.951 33.414 32.500 -0.061 0.000 1.101 1346 K HN 0.189 nan 8.250 nan 0.000 0.434 1347 P HA 0.107 nan 4.420 nan 0.000 0.278 1347 P C -1.154 176.129 177.300 -0.030 0.000 1.238 1347 P CA -0.334 62.753 63.100 -0.021 0.000 0.794 1347 P CB 0.978 32.675 31.700 -0.006 0.000 0.955 1348 A N 3.596 126.396 122.820 -0.033 0.000 2.279 1348 A HA 0.694 5.014 4.320 -0.000 0.000 0.303 1348 A C -1.894 175.679 177.584 -0.019 0.000 1.108 1348 A CA -0.978 51.040 52.037 -0.033 0.000 0.830 1348 A CB -0.864 18.109 19.000 -0.044 0.000 1.106 1348 A HN 0.466 nan 8.150 nan 0.000 0.493 1349 P HA 0.681 nan 4.420 nan 0.000 0.287 1349 P C -0.483 176.816 177.300 -0.003 0.000 1.296 1349 P CA -0.215 62.880 63.100 -0.007 0.000 0.811 1349 P CB 0.985 32.681 31.700 -0.007 0.000 1.211 1359 K N -0.517 119.887 120.400 0.007 0.000 3.547 1359 K HA -0.235 4.085 4.320 -0.000 0.000 0.309 1359 K C 0.581 177.178 176.600 -0.006 0.000 1.324 1359 K CA 1.645 57.932 56.287 0.001 0.000 0.988 1359 K CB -1.411 31.090 32.500 0.000 0.000 1.261 1359 K HN 0.741 nan 8.250 nan 0.000 0.444 1360 N N -0.301 118.388 118.700 -0.017 0.000 2.474 1360 N HA -0.037 4.703 4.740 -0.000 0.000 0.224 1360 N C 0.426 175.923 175.510 -0.022 0.000 1.092 1360 N CA 0.814 53.846 53.050 -0.031 0.000 0.844 1360 N CB 0.080 38.507 38.487 -0.100 0.000 1.381 1360 N HN 0.124 nan 8.380 nan 0.000 0.458 1361 T N 1.501 116.025 114.554 -0.049 0.000 2.946 1361 T HA 0.318 4.668 4.350 -0.000 0.000 0.312 1361 T C 0.354 175.018 174.700 -0.059 0.000 1.066 1361 T CA 0.078 62.123 62.100 -0.091 0.000 1.138 1361 T CB -0.053 68.728 68.868 -0.145 0.000 1.014 1361 T HN 0.331 nan 8.240 nan 0.000 0.544 1362 M N 3.178 122.748 119.600 -0.051 0.000 2.948 1362 M HA 0.600 5.080 4.480 -0.000 0.000 0.278 1362 M C -1.313 174.929 176.300 -0.096 0.000 1.293 1362 M CA -1.253 54.020 55.300 -0.045 0.000 0.777 1362 M CB 1.834 34.439 32.600 0.008 0.000 1.713 1362 M HN 0.333 nan 8.290 nan 0.000 0.444 1363 I N 2.082 122.586 120.570 -0.111 0.000 2.389 1363 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 1363 I C -1.390 174.582 176.117 -0.241 0.000 0.999 1363 I CA -0.925 60.284 61.300 -0.152 0.000 1.129 1363 I CB 2.006 39.934 38.000 -0.122 0.000 1.288 1363 I HN 0.439 nan 8.210 nan 0.000 0.444 1364 L N 7.199 128.206 121.223 -0.360 0.000 2.275 1364 L HA 0.425 4.765 4.340 -0.000 0.000 0.288 1364 L C -0.262 176.314 176.870 -0.491 0.000 1.046 1364 L CA 0.197 54.721 54.840 -0.527 0.000 0.805 1364 L CB 0.995 42.629 42.059 -0.709 0.000 1.193 1364 L HN 0.580 nan 8.230 nan 0.000 0.426 1365 E N 5.141 125.117 120.200 -0.375 0.000 2.210 1365 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 1365 E C -1.413 175.047 176.600 -0.234 0.000 0.883 1365 E CA -0.556 55.680 56.400 -0.274 0.000 0.761 1365 E CB 1.381 30.973 29.700 -0.180 0.000 1.156 1365 E HN 0.623 nan 8.360 nan 0.000 0.412 1366 I N 4.003 124.453 120.570 -0.200 0.000 2.418 1366 I HA 0.355 4.525 4.170 -0.000 0.000 0.287 1366 I C -0.863 175.204 176.117 -0.083 0.000 1.008 1366 I CA -0.812 60.403 61.300 -0.142 0.000 1.104 1366 I CB 1.611 39.518 38.000 -0.154 0.000 1.264 1366 I HN 0.512 nan 8.210 nan 0.000 0.438 1367 c N 4.095 122.665 118.600 -0.050 0.000 2.340 1367 c HA 0.687 5.257 4.570 -0.000 0.000 0.323 1367 c C 0.325 174.426 174.090 0.018 0.000 1.260 1367 c CA -0.392 55.927 56.329 -0.016 0.000 1.464 1367 c CB 1.448 43.949 42.510 -0.015 0.000 2.156 1367 c HN 0.749 nan 8.230 nan 0.000 0.476 1368 T N 3.121 117.702 114.554 0.045 0.000 2.900 1368 T HA 0.707 5.057 4.350 -0.000 0.000 0.295 1368 T C -1.046 173.737 174.700 0.138 0.000 1.044 1368 T CA -0.449 61.716 62.100 0.110 0.000 0.995 1368 T CB 1.196 70.139 68.868 0.125 0.000 1.072 1368 T HN 0.827 nan 8.240 nan 0.000 0.473 1369 R N 2.085 122.696 120.500 0.185 0.000 2.698 1369 R HA 0.513 4.853 4.340 -0.000 0.000 0.275 1369 R C -1.988 174.434 176.300 0.203 0.000 1.001 1369 R CA -0.741 55.455 56.100 0.160 0.000 0.896 1369 R CB 1.476 31.824 30.300 0.080 0.000 1.218 1369 R HN 0.622 nan 8.270 nan 0.000 0.462 1370 Y N 2.514 122.800 120.300 -0.024 0.000 2.320 1370 Y HA 0.377 4.927 4.550 0.000 0.000 0.334 1370 Y C -0.435 175.388 175.900 -0.127 0.000 1.055 1370 Y CA -0.867 57.090 58.100 -0.238 0.000 1.143 1370 Y CB 1.100 39.419 38.460 -0.234 0.000 1.193 1370 Y HN 0.450 nan 8.280 nan 0.000 0.477 1371 R N 4.556 124.711 120.500 -0.574 0.000 2.419 1371 R HA 0.519 4.859 4.340 -0.000 0.000 0.305 1371 R C -0.186 175.678 176.300 -0.726 0.000 1.242 1371 R CA 0.050 55.873 56.100 -0.462 0.000 1.105 1371 R CB -0.138 29.998 30.300 -0.274 0.000 1.116 1371 R HN 0.926 nan 8.270 nan 0.000 0.523 1372 G N 0.532 109.015 108.800 -0.528 0.000 2.488 1372 G HA2 0.016 3.976 3.960 -0.000 0.000 0.301 1372 G HA3 0.016 3.976 3.960 -0.000 0.000 0.301 1372 G C -0.642 174.096 174.900 -0.269 0.000 1.339 1372 G CA -0.566 44.267 45.100 -0.445 0.000 0.803 1372 G HN 0.243 nan 8.290 nan 0.000 0.482 1373 D N -0.305 119.934 120.400 -0.269 0.000 2.201 1373 D HA 0.100 4.740 4.640 -0.000 0.000 0.209 1373 D C 0.806 176.707 176.300 -0.664 0.000 0.961 1373 D CA 1.019 54.766 54.000 -0.422 0.000 0.861 1373 D CB 0.270 40.936 40.800 -0.224 0.000 0.997 1373 D HN 0.296 nan 8.370 nan 0.000 0.486 1374 Q N 1.015 120.669 119.800 -0.244 0.000 2.204 1374 Q HA 0.295 4.635 4.340 -0.000 0.000 0.254 1374 Q C -0.597 175.519 176.000 0.193 0.000 0.981 1374 Q CA -0.574 55.196 55.803 -0.055 0.000 0.897 1374 Q CB 0.723 29.483 28.738 0.037 0.000 1.273 1374 Q HN -0.044 nan 8.270 nan 0.000 0.464 1375 D N 0.865 121.435 120.400 0.283 0.000 2.424 1375 D HA 0.292 4.932 4.640 -0.000 0.000 0.244 1375 D C -0.048 176.363 176.300 0.185 0.000 1.134 1375 D CA 0.155 54.326 54.000 0.286 0.000 0.881 1375 D CB 0.609 41.531 40.800 0.202 0.000 1.191 1375 D HN 0.572 nan 8.370 nan 0.000 0.445 1376 A N 2.261 125.120 122.820 0.065 0.000 2.475 1376 A HA 0.383 4.703 4.320 -0.000 0.000 0.239 1376 A C 0.948 178.553 177.584 0.034 0.000 1.087 1376 A CA -0.095 51.836 52.037 -0.177 0.000 0.779 1376 A CB -0.082 18.590 19.000 -0.546 0.000 1.036 1376 A HN 0.631 nan 8.150 nan 0.000 0.506 1377 T N -0.743 113.876 114.554 0.108 0.000 2.867 1377 T HA 0.521 4.871 4.350 -0.000 0.000 0.286 1377 T C 0.572 175.361 174.700 0.147 0.000 1.022 1377 T CA -0.635 61.555 62.100 0.150 0.000 0.933 1377 T CB 0.023 69.028 68.868 0.229 0.000 1.280 1377 T HN 0.587 nan 8.240 nan 0.000 0.566 1378 M N 1.714 121.385 119.600 0.119 0.000 2.187 1378 M HA -0.038 4.442 4.480 -0.000 0.000 0.448 1378 M C -0.331 176.051 176.300 0.135 0.000 1.308 1378 M CA 1.070 56.422 55.300 0.087 0.000 0.727 1378 M CB -0.551 32.027 32.600 -0.036 0.000 1.947 1378 M HN 0.715 nan 8.290 nan 0.000 0.535 1379 S N 3.411 119.150 115.700 0.065 0.000 2.564 1379 S HA 0.726 5.196 4.470 -0.000 0.000 0.274 1379 S C -1.108 173.408 174.600 -0.140 0.000 1.124 1379 S CA -0.811 57.359 58.200 -0.050 0.000 0.869 1379 S CB 1.570 64.720 63.200 -0.083 0.000 1.105 1379 S HN 0.474 nan 8.310 nan 0.000 0.472 1380 I N 1.916 122.231 120.570 -0.425 0.000 2.359 1380 I HA 0.415 4.585 4.170 -0.000 0.000 0.294 1380 I C -0.838 174.918 176.117 -0.601 0.000 0.987 1380 I CA -0.153 60.819 61.300 -0.545 0.000 1.225 1380 I CB 1.088 38.540 38.000 -0.913 0.000 1.366 1380 I HN 0.450 nan 8.210 nan 0.000 0.466 1381 L N 5.929 126.902 121.223 -0.416 0.000 2.277 1381 L HA 0.356 4.696 4.340 -0.000 0.000 0.284 1381 L C -0.649 176.063 176.870 -0.263 0.000 1.028 1381 L CA -0.417 54.236 54.840 -0.312 0.000 0.835 1381 L CB 0.847 42.784 42.059 -0.204 0.000 1.215 1381 L HN 0.469 nan 8.230 nan 0.000 0.425 1382 D N 5.250 125.525 120.400 -0.208 0.000 2.485 1382 D HA 0.365 5.005 4.640 -0.000 0.000 0.221 1382 D C -0.265 175.996 176.300 -0.065 0.000 1.112 1382 D CA -0.165 53.766 54.000 -0.114 0.000 0.911 1382 D CB 0.515 41.297 40.800 -0.029 0.000 1.019 1382 D HN 0.222 nan 8.370 nan 0.000 0.516 1383 I N 1.505 122.053 120.570 -0.037 0.000 2.566 1383 I HA 0.355 4.524 4.170 -0.000 0.000 0.303 1383 I C 0.537 176.681 176.117 0.045 0.000 0.983 1383 I CA -0.637 60.675 61.300 0.019 0.000 1.235 1383 I CB 1.680 39.721 38.000 0.067 0.000 1.386 1383 I HN 0.293 nan 8.210 nan 0.000 0.494 1384 S N 5.001 120.739 115.700 0.063 0.000 2.549 1384 S HA 0.646 5.116 4.470 -0.000 0.000 0.280 1384 S C -0.699 173.957 174.600 0.094 0.000 1.109 1384 S CA -1.068 57.170 58.200 0.063 0.000 0.905 1384 S CB 1.857 65.066 63.200 0.016 0.000 1.081 1384 S HN 0.323 nan 8.310 nan 0.000 0.477 1385 M N 2.364 122.034 119.600 0.116 0.000 2.255 1385 M HA 0.386 4.866 4.480 -0.000 0.000 0.336 1385 M C 0.097 176.414 176.300 0.028 0.000 1.135 1385 M CA -0.366 55.017 55.300 0.139 0.000 1.145 1385 M CB 0.554 33.275 32.600 0.202 0.000 1.473 1385 M HN 0.760 nan 8.290 nan 0.000 0.462 1386 M N 1.158 120.713 119.600 -0.075 0.000 2.200 1386 M HA 0.137 4.617 4.480 -0.000 0.000 0.355 1386 M C 0.717 177.054 176.300 0.062 0.000 1.283 1386 M CA -0.402 54.792 55.300 -0.177 0.000 1.124 1386 M CB -0.050 32.224 32.600 -0.545 0.000 1.625 1386 M HN 0.766 nan 8.290 nan 0.000 0.463 1387 T N 0.814 115.420 114.554 0.086 0.000 2.709 1387 T HA 0.210 4.560 4.350 -0.000 0.000 0.269 1387 T C 1.132 175.992 174.700 0.267 0.000 1.008 1387 T CA 0.829 63.034 62.100 0.175 0.000 1.194 1387 T CB -0.210 68.749 68.868 0.152 0.000 0.986 1387 T HN 1.048 nan 8.240 nan 0.000 0.508 1388 G N 2.982 111.925 108.800 0.239 0.000 2.255 1388 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.196 1388 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.196 1388 G C -0.061 174.673 174.900 -0.277 0.000 0.998 1388 G CA -0.286 44.837 45.100 0.038 0.000 0.656 1388 G HN 0.728 nan 8.290 nan 0.000 0.490 1389 F N 0.939 120.759 119.950 -0.218 0.000 2.594 1389 F HA 0.828 5.355 4.527 -0.000 0.000 0.335 1389 F C 0.497 176.296 175.800 -0.002 0.000 1.058 1389 F CA -0.570 57.347 58.000 -0.139 0.000 0.981 1389 F CB 2.389 41.377 39.000 -0.020 0.000 1.289 1389 F HN 0.517 nan 8.300 nan 0.000 0.490 1390 A N 1.382 124.358 122.820 0.259 0.000 2.582 1390 A HA 0.614 4.934 4.320 -0.000 0.000 0.297 1390 A C -3.108 174.482 177.584 0.010 0.000 1.059 1390 A CA -1.580 50.608 52.037 0.252 0.000 0.705 1390 A CB 0.984 20.309 19.000 0.542 0.000 1.279 1390 A HN 0.326 nan 8.150 nan 0.000 0.404 1391 P HA 0.078 nan 4.420 nan 0.000 0.264 1391 P C -0.613 176.558 177.300 -0.214 0.000 1.179 1391 P CA 0.430 63.467 63.100 -0.104 0.000 0.763 1391 P CB 0.423 31.860 31.700 -0.439 0.000 0.806 1392 D N 1.343 121.703 120.400 -0.066 0.000 2.401 1392 D HA -0.003 4.636 4.640 -0.000 0.000 0.254 1392 D C 1.017 177.248 176.300 -0.115 0.000 1.192 1392 D CA 0.321 54.302 54.000 -0.030 0.000 0.885 1392 D CB 0.518 41.472 40.800 0.257 0.000 1.147 1392 D HN 0.307 nan 8.370 nan 0.000 0.478 1393 T N 1.151 115.662 114.554 -0.071 0.000 2.643 1393 T HA -0.201 4.149 4.350 -0.000 0.000 0.264 1393 T C 1.263 175.934 174.700 -0.049 0.000 1.045 1393 T CA 1.106 63.175 62.100 -0.051 0.000 1.155 1393 T CB -0.292 68.591 68.868 0.026 0.000 0.863 1393 T HN 0.497 nan 8.240 nan 0.000 0.420 1394 D N 2.032 122.424 120.400 -0.013 0.000 2.254 1394 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 1394 D C 1.470 177.767 176.300 -0.005 0.000 0.998 1394 D CA 1.672 55.671 54.000 -0.002 0.000 0.885 1394 D CB -0.406 40.403 40.800 0.015 0.000 0.915 1394 D HN 0.483 nan 8.370 nan 0.000 0.460 1395 D N 0.599 120.991 120.400 -0.013 0.000 2.110 1395 D HA 0.001 4.641 4.640 -0.000 0.000 0.202 1395 D C 2.341 178.613 176.300 -0.047 0.000 0.975 1395 D CA 0.191 54.192 54.000 0.002 0.000 0.839 1395 D CB -0.391 40.443 40.800 0.055 0.000 0.996 1395 D HN 0.124 nan 8.370 nan 0.000 0.464 1396 L N 0.375 121.500 121.223 -0.164 0.000 2.043 1396 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 1396 L C 2.138 178.952 176.870 -0.093 0.000 1.075 1396 L CA 1.288 56.003 54.840 -0.208 0.000 0.752 1396 L CB -0.217 41.659 42.059 -0.305 0.000 0.891 1396 L HN -0.002 nan 8.230 nan 0.000 0.432 1397 K N -0.417 119.945 120.400 -0.064 0.000 1.978 1397 K HA -0.269 4.051 4.320 -0.000 0.000 0.214 1397 K C 1.926 178.518 176.600 -0.012 0.000 1.049 1397 K CA 1.575 57.843 56.287 -0.033 0.000 0.939 1397 K CB -0.375 32.113 32.500 -0.020 0.000 0.721 1397 K HN 0.057 nan 8.250 nan 0.000 0.441 1398 Q N 0.999 120.798 119.800 -0.002 0.000 2.066 1398 Q HA -0.274 4.066 4.340 -0.000 0.000 0.216 1398 Q C 1.804 177.817 176.000 0.021 0.000 1.035 1398 Q CA 2.348 58.160 55.803 0.014 0.000 0.897 1398 Q CB -0.719 28.033 28.738 0.023 0.000 1.010 1398 Q HN 0.338 nan 8.270 nan 0.000 0.416 1399 L N -0.609 120.630 121.223 0.026 0.000 1.978 1399 L HA -0.296 4.044 4.340 -0.000 0.000 0.218 1399 L C 2.458 179.347 176.870 0.031 0.000 1.075 1399 L CA 1.599 56.462 54.840 0.037 0.000 0.767 1399 L CB -0.865 41.226 42.059 0.053 0.000 0.890 1399 L HN 0.485 nan 8.230 nan 0.000 0.434 1400 A N -0.477 122.349 122.820 0.010 0.000 2.019 1400 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 1400 A C 1.992 179.604 177.584 0.047 0.000 1.164 1400 A CA 1.730 53.775 52.037 0.013 0.000 0.644 1400 A CB -0.682 18.294 19.000 -0.040 0.000 0.805 1400 A HN 0.551 nan 8.150 nan 0.000 0.449 1401 N N 0.414 119.135 118.700 0.035 0.000 2.244 1401 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 1401 N C 1.198 176.736 175.510 0.047 0.000 1.016 1401 N CA 0.812 53.886 53.050 0.040 0.000 0.866 1401 N CB -0.329 38.174 38.487 0.028 0.000 0.980 1401 N HN 0.480 nan 8.380 nan 0.000 0.430 1402 G N 1.255 110.083 108.800 0.046 0.000 2.630 1402 G HA2 0.188 4.148 3.960 -0.000 0.000 0.236 1402 G HA3 0.188 4.148 3.960 -0.000 0.000 0.236 1402 G C -0.044 174.892 174.900 0.059 0.000 1.248 1402 G CA -0.266 44.862 45.100 0.047 0.000 0.844 1402 G HN 0.024 nan 8.290 nan 0.000 0.588 1403 V N 1.063 121.007 119.914 0.050 0.000 2.973 1403 V HA 0.452 4.572 4.120 -0.000 0.000 0.314 1403 V C 0.815 176.942 176.094 0.055 0.000 1.066 1403 V CA 0.584 62.916 62.300 0.052 0.000 1.021 1403 V CB 1.428 33.273 31.823 0.037 0.000 1.076 1403 V HN 1.008 nan 8.190 nan 0.000 0.462 1404 D N 1.105 121.539 120.400 0.056 0.000 2.495 1404 D HA -0.149 4.491 4.640 -0.000 0.000 0.175 1404 D C 0.325 176.674 176.300 0.083 0.000 1.040 1404 D CA 1.639 55.674 54.000 0.059 0.000 1.049 1404 D CB -0.586 40.244 40.800 0.050 0.000 1.105 1404 D HN 0.712 nan 8.370 nan 0.000 0.457 1405 R N -0.481 120.079 120.500 0.101 0.000 2.795 1405 R HA 0.719 5.059 4.340 -0.000 0.000 0.275 1405 R C -0.869 175.555 176.300 0.207 0.000 0.981 1405 R CA -0.817 55.363 56.100 0.134 0.000 0.917 1405 R CB 2.763 33.114 30.300 0.086 0.000 1.202 1405 R HN 0.179 nan 8.270 nan 0.000 0.469 1406 Y N 0.953 121.302 120.300 0.081 0.000 2.713 1406 Y HA 0.609 5.159 4.550 -0.000 0.000 0.335 1406 Y C -1.919 174.078 175.900 0.161 0.000 1.222 1406 Y CA -0.917 57.242 58.100 0.098 0.000 1.061 1406 Y CB 1.771 40.281 38.460 0.083 0.000 1.314 1406 Y HN 0.547 nan 8.280 nan 0.000 0.453 1407 I N 3.446 122.929 120.570 -1.811 0.000 2.693 1407 I HA 0.086 4.256 4.170 -0.000 0.000 0.271 1407 I C -0.734 174.936 176.117 -0.745 0.000 1.408 1407 I CA -0.669 59.989 61.300 -1.069 0.000 1.179 1407 I CB 1.424 39.196 38.000 -0.380 0.000 1.497 1407 I HN 0.712 nan 8.210 nan 0.000 0.434 1408 S N 5.781 121.200 115.700 -0.467 0.000 3.361 1408 S HA -0.046 4.424 4.470 -0.000 0.000 0.396 1408 S C 1.356 175.992 174.600 0.059 0.000 1.165 1408 S CA 0.361 58.581 58.200 0.033 0.000 1.192 1408 S CB 0.316 63.626 63.200 0.184 0.000 0.843 1408 S HN 0.722 nan 8.310 nan 0.000 0.528 1409 K N 3.531 123.962 120.400 0.052 0.000 2.206 1409 K HA -0.304 4.016 4.320 -0.000 0.000 0.211 1409 K C 1.392 178.039 176.600 0.078 0.000 1.047 1409 K CA 2.378 58.690 56.287 0.042 0.000 0.933 1409 K CB -0.626 31.901 32.500 0.045 0.000 0.721 1409 K HN 0.924 nan 8.250 nan 0.000 0.471 1410 Y N 1.228 121.533 120.300 0.008 0.000 2.316 1410 Y HA -0.360 4.190 4.550 -0.000 0.000 0.279 1410 Y C 2.084 177.988 175.900 0.006 0.000 1.217 1410 Y CA 1.980 60.090 58.100 0.016 0.000 1.273 1410 Y CB 0.030 38.511 38.460 0.036 0.000 0.970 1410 Y HN 0.155 nan 8.280 nan 0.000 0.553 1411 E N -1.202 119.106 120.200 0.179 0.000 2.290 1411 E HA 0.021 4.371 4.350 -0.000 0.000 0.197 1411 E C 1.697 178.301 176.600 0.006 0.000 0.948 1411 E CA 0.427 56.886 56.400 0.098 0.000 0.895 1411 E CB -0.217 29.536 29.700 0.089 0.000 0.865 1411 E HN 0.307 nan 8.360 nan 0.000 0.486 1412 L N 1.385 122.601 121.223 -0.012 0.000 1.989 1412 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 1412 L C 1.463 178.312 176.870 -0.034 0.000 1.071 1412 L CA 2.032 56.853 54.840 -0.032 0.000 0.749 1412 L CB -0.979 41.060 42.059 -0.033 0.000 0.890 1412 L HN 0.158 nan 8.230 nan 0.000 0.431 1413 D N -0.296 120.076 120.400 -0.046 0.000 2.133 1413 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 1413 D C 0.810 177.066 176.300 -0.074 0.000 0.997 1413 D CA 1.015 54.977 54.000 -0.064 0.000 0.840 1413 D CB -0.426 40.322 40.800 -0.088 0.000 0.947 1413 D HN 0.424 nan 8.370 nan 0.000 0.452 1414 K N 0.919 121.267 120.400 -0.087 0.000 2.494 1414 K HA 0.292 4.612 4.320 -0.000 0.000 0.273 1414 K C 0.002 176.573 176.600 -0.049 0.000 0.970 1414 K CA -0.197 56.043 56.287 -0.078 0.000 0.963 1414 K CB 0.345 32.805 32.500 -0.066 0.000 0.913 1414 K HN -0.008 nan 8.250 nan 0.000 0.502 1415 A N 2.615 125.391 122.820 -0.073 0.000 2.401 1415 A HA 0.181 4.501 4.320 -0.000 0.000 0.259 1415 A C 0.906 178.459 177.584 -0.052 0.000 1.103 1415 A CA -0.718 51.259 52.037 -0.100 0.000 0.789 1415 A CB -0.416 18.477 19.000 -0.178 0.000 1.035 1415 A HN 0.936 nan 8.150 nan 0.000 0.491 1416 F N 2.634 122.551 119.950 -0.055 0.000 2.111 1416 F HA -0.266 4.261 4.527 0.000 0.000 0.300 1416 F C 2.144 177.960 175.800 0.028 0.000 1.088 1416 F CA 1.991 59.982 58.000 -0.014 0.000 1.243 1416 F CB -0.337 38.658 39.000 -0.008 0.000 0.996 1416 F HN 0.498 nan 8.300 nan 0.000 0.483 1417 S N -0.437 115.082 115.700 -0.302 0.000 2.423 1417 S HA -0.279 4.191 4.470 -0.000 0.000 0.238 1417 S C 1.599 176.195 174.600 -0.006 0.000 1.028 1417 S CA 1.856 59.891 58.200 -0.275 0.000 1.000 1417 S CB -0.847 61.929 63.200 -0.707 0.000 0.797 1417 S HN 0.668 nan 8.310 nan 0.000 0.487 1418 D N 0.170 120.572 120.400 0.002 0.000 2.368 1418 D HA 0.162 4.802 4.640 -0.000 0.000 0.218 1418 D C 0.444 176.792 176.300 0.080 0.000 1.112 1418 D CA -0.013 53.995 54.000 0.014 0.000 0.834 1418 D CB 0.141 40.917 40.800 -0.041 0.000 0.953 1418 D HN 0.291 nan 8.370 nan 0.000 0.505 1419 R N 1.472 122.063 120.500 0.152 0.000 3.057 1419 R HA 0.092 4.432 4.340 -0.000 0.000 0.291 1419 R C 0.992 177.395 176.300 0.173 0.000 1.394 1419 R CA -0.188 55.998 56.100 0.144 0.000 1.630 1419 R CB 0.009 30.386 30.300 0.129 0.000 1.268 1419 R HN 0.037 nan 8.270 nan 0.000 0.621 1420 N N -0.535 118.262 118.700 0.162 0.000 2.422 1420 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 1420 N C 0.345 175.930 175.510 0.125 0.000 1.080 1420 N CA 0.298 53.447 53.050 0.165 0.000 0.893 1420 N CB 0.503 39.088 38.487 0.163 0.000 0.973 1420 N HN 0.275 nan 8.380 nan 0.000 0.456 1421 T N -1.677 112.938 114.554 0.103 0.000 2.864 1421 T HA 0.689 5.039 4.350 -0.000 0.000 0.289 1421 T C -1.022 173.721 174.700 0.071 0.000 1.082 1421 T CA -0.786 61.362 62.100 0.080 0.000 1.009 1421 T CB 1.810 70.715 68.868 0.061 0.000 1.234 1421 T HN 0.196 nan 8.240 nan 0.000 0.526 1422 L N 0.051 121.300 121.223 0.043 0.000 3.077 1422 L HA 0.628 4.968 4.340 -0.000 0.000 0.254 1422 L C -2.345 174.495 176.870 -0.051 0.000 0.959 1422 L CA -0.599 54.249 54.840 0.014 0.000 1.030 1422 L CB 0.727 42.801 42.059 0.026 0.000 1.679 1422 L HN 0.902 nan 8.230 nan 0.000 0.468 1423 I N 4.828 125.318 120.570 -0.134 0.000 2.412 1423 I HA 0.528 4.698 4.170 -0.000 0.000 0.296 1423 I C -0.401 175.458 176.117 -0.430 0.000 0.987 1423 I CA -0.560 60.545 61.300 -0.325 0.000 1.180 1423 I CB 1.866 39.573 38.000 -0.488 0.000 1.340 1423 I HN 0.505 nan 8.210 nan 0.000 0.455 1424 I N 6.392 126.721 120.570 -0.402 0.000 2.359 1424 I HA 0.275 4.445 4.170 -0.000 0.000 0.284 1424 I C -0.815 175.110 176.117 -0.320 0.000 1.018 1424 I CA -0.575 60.553 61.300 -0.286 0.000 1.173 1424 I CB 0.718 38.659 38.000 -0.098 0.000 1.326 1424 I HN 0.424 nan 8.210 nan 0.000 0.462 1425 Y N 6.347 126.660 120.300 0.023 0.000 2.304 1425 Y HA 0.452 5.002 4.550 -0.000 0.000 0.327 1425 Y C -0.003 175.936 175.900 0.065 0.000 1.209 1425 Y CA -0.380 57.759 58.100 0.066 0.000 1.299 1425 Y CB 0.745 39.330 38.460 0.209 0.000 1.249 1425 Y HN 0.366 nan 8.280 nan 0.000 0.519 1426 L N 2.273 123.594 121.223 0.163 0.000 2.386 1426 L HA 0.338 4.678 4.340 -0.000 0.000 0.271 1426 L C 0.176 177.100 176.870 0.089 0.000 0.993 1426 L CA -0.520 54.378 54.840 0.097 0.000 0.819 1426 L CB 1.800 43.880 42.059 0.036 0.000 1.294 1426 L HN 0.616 nan 8.230 nan 0.000 0.414 1427 D N 1.747 122.191 120.400 0.074 0.000 2.312 1427 D HA -0.023 4.617 4.640 -0.000 0.000 0.211 1427 D C 0.126 176.458 176.300 0.053 0.000 0.964 1427 D CA 0.933 54.961 54.000 0.047 0.000 0.877 1427 D CB 0.240 41.061 40.800 0.035 0.000 0.924 1427 D HN 0.542 nan 8.370 nan 0.000 0.515 1428 K N -1.654 118.784 120.400 0.062 0.000 2.685 1428 K HA 0.427 4.747 4.320 -0.000 0.000 0.290 1428 K C -1.543 175.106 176.600 0.081 0.000 1.018 1428 K CA -1.012 55.318 56.287 0.071 0.000 0.860 1428 K CB 1.585 34.127 32.500 0.070 0.000 1.498 1428 K HN -0.176 nan 8.250 nan 0.000 0.390 1429 V N -1.793 118.183 119.914 0.103 0.000 2.612 1429 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 1429 V C -0.262 175.924 176.094 0.154 0.000 1.059 1429 V CA -0.762 61.618 62.300 0.135 0.000 0.886 1429 V CB 1.386 33.338 31.823 0.215 0.000 1.007 1429 V HN 0.829 nan 8.190 nan 0.000 0.426 1430 S N 2.621 118.390 115.700 0.116 0.000 2.560 1430 S HA 0.124 4.594 4.470 -0.000 0.000 0.284 1430 S C 1.318 175.992 174.600 0.124 0.000 1.327 1430 S CA 0.399 58.652 58.200 0.088 0.000 1.055 1430 S CB 0.070 63.272 63.200 0.003 0.000 0.868 1430 S HN 1.181 nan 8.310 nan 0.000 0.506 1431 H N 2.576 121.717 119.070 0.119 0.000 2.535 1431 H HA 0.106 4.662 4.556 -0.000 0.000 0.273 1431 H C 1.301 176.647 175.328 0.030 0.000 0.983 1431 H CA 0.933 57.030 56.048 0.081 0.000 1.238 1431 H CB -0.123 29.678 29.762 0.065 0.000 1.412 1431 H HN 0.467 nan 8.280 nan 0.000 0.562 1432 S N 0.787 116.130 115.700 -0.595 0.000 2.288 1432 S HA -0.011 4.459 4.470 -0.000 0.000 0.198 1432 S C 0.510 175.008 174.600 -0.170 0.000 1.021 1432 S CA 0.804 58.720 58.200 -0.472 0.000 0.973 1432 S CB 0.058 62.986 63.200 -0.453 0.000 0.946 1432 S HN 0.609 nan 8.310 nan 0.000 0.470 1433 E N 1.231 121.363 120.200 -0.113 0.000 2.303 1433 E HA 0.532 4.882 4.350 -0.000 0.000 0.254 1433 E C -1.500 175.091 176.600 -0.014 0.000 0.979 1433 E CA -0.950 55.421 56.400 -0.049 0.000 0.843 1433 E CB -0.112 29.564 29.700 -0.039 0.000 1.245 1433 E HN -0.097 nan 8.360 nan 0.000 0.413 1434 D N 0.560 120.959 120.400 -0.000 0.000 2.390 1434 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 1434 D C -0.881 175.428 176.300 0.015 0.000 1.144 1434 D CA 0.068 54.078 54.000 0.017 0.000 0.880 1434 D CB 0.399 41.206 40.800 0.012 0.000 1.182 1434 D HN 0.212 nan 8.370 nan 0.000 0.451 1435 D N 1.812 122.230 120.400 0.030 0.000 2.317 1435 D HA 0.266 4.906 4.640 -0.000 0.000 0.234 1435 D C -0.413 175.893 176.300 0.010 0.000 1.112 1435 D CA -0.179 53.835 54.000 0.023 0.000 0.840 1435 D CB 0.702 41.525 40.800 0.039 0.000 1.078 1435 D HN 0.221 nan 8.370 nan 0.000 0.486 1436 c N 2.520 121.118 118.600 -0.004 0.000 2.848 1436 c HA 0.872 5.442 4.570 -0.000 0.000 0.317 1436 c C -0.616 173.457 174.090 -0.029 0.000 1.260 1436 c CA -0.688 55.627 56.329 -0.023 0.000 1.656 1436 c CB 0.988 43.481 42.510 -0.029 0.000 2.174 1436 c HN 0.624 nan 8.230 nan 0.000 0.479 1437 L N -0.413 120.776 121.223 -0.055 0.000 2.933 1437 L HA 1.062 5.402 4.340 -0.000 0.000 0.271 1437 L C -0.701 176.096 176.870 -0.122 0.000 1.071 1437 L CA -0.910 53.896 54.840 -0.056 0.000 0.938 1437 L CB 0.694 42.739 42.059 -0.024 0.000 1.534 1437 L HN 1.139 nan 8.230 nan 0.000 0.396 1438 A N -0.048 122.698 122.820 -0.124 0.000 2.597 1438 A HA 0.919 5.239 4.320 -0.000 0.000 0.292 1438 A C -1.741 175.754 177.584 -0.150 0.000 1.057 1438 A CA -0.202 51.686 52.037 -0.249 0.000 0.674 1438 A CB 1.278 20.161 19.000 -0.196 0.000 1.278 1438 A HN 1.821 nan 8.150 nan 0.000 0.416 1439 F N -0.836 119.065 119.950 -0.081 0.000 2.641 1439 F HA 0.698 5.225 4.527 0.000 0.000 0.308 1439 F C -0.405 175.340 175.800 -0.091 0.000 1.105 1439 F CA -1.190 56.770 58.000 -0.067 0.000 0.964 1439 F CB 1.390 40.362 39.000 -0.047 0.000 1.294 1439 F HN 0.483 nan 8.300 nan 0.000 0.442 1440 K N 2.887 123.397 120.400 0.183 0.000 2.451 1440 K HA 0.451 4.771 4.320 -0.000 0.000 0.280 1440 K C -0.167 176.449 176.600 0.026 0.000 1.020 1440 K CA -0.527 55.756 56.287 -0.007 0.000 1.008 1440 K CB 1.109 33.548 32.500 -0.102 0.000 0.917 1440 K HN 0.637 nan 8.250 nan 0.000 0.478 1441 V N 0.185 120.068 119.914 -0.051 0.000 2.850 1441 V HA 0.456 4.576 4.120 -0.000 0.000 0.315 1441 V C -0.552 175.414 176.094 -0.213 0.000 1.064 1441 V CA -0.710 61.612 62.300 0.036 0.000 0.979 1441 V CB 1.536 33.506 31.823 0.245 0.000 1.039 1441 V HN 0.769 nan 8.190 nan 0.000 0.452 1442 H N 2.406 121.438 119.070 -0.063 0.000 2.667 1442 H HA 0.390 4.946 4.556 -0.000 0.000 0.353 1442 H C -1.020 174.056 175.328 -0.420 0.000 1.072 1442 H CA -0.437 55.493 56.048 -0.196 0.000 1.214 1442 H CB 2.278 31.918 29.762 -0.203 0.000 1.600 1442 H HN 0.897 nan 8.280 nan 0.000 0.527 1443 Q N 2.827 122.209 119.800 -0.698 0.000 2.288 1443 Q HA 0.045 4.385 4.340 -0.000 0.000 0.258 1443 Q C -0.447 175.382 176.000 -0.286 0.000 0.957 1443 Q CA -0.454 54.757 55.803 -0.987 0.000 0.919 1443 Q CB 0.507 28.465 28.738 -1.300 0.000 1.185 1443 Q HN 0.748 nan 8.270 nan 0.000 0.408 1444 Y N 3.011 123.326 120.300 0.025 0.000 2.444 1444 Y HA 0.398 4.948 4.550 0.000 0.000 0.249 1444 Y C -0.987 175.030 175.900 0.196 0.000 1.134 1444 Y CA -1.080 57.109 58.100 0.148 0.000 1.261 1444 Y CB 0.360 38.975 38.460 0.260 0.000 1.143 1444 Y HN 0.427 nan 8.280 nan 0.000 0.523 1445 F N 3.008 122.954 119.950 -0.007 0.000 2.518 1445 F HA 0.466 4.993 4.527 0.000 0.000 0.323 1445 F C -0.946 174.846 175.800 -0.013 0.000 1.129 1445 F CA -2.447 55.612 58.000 0.099 0.000 0.920 1445 F CB 1.197 40.271 39.000 0.124 0.000 1.160 1445 F HN 0.041 nan 8.300 nan 0.000 0.440 1446 N N 6.090 124.571 118.700 -0.364 0.000 2.408 1446 N HA 0.506 5.246 4.740 -0.000 0.000 0.257 1446 N C -1.501 173.582 175.510 -0.711 0.000 1.064 1446 N CA 0.130 52.929 53.050 -0.418 0.000 0.952 1446 N CB 1.047 39.430 38.487 -0.173 0.000 1.093 1446 N HN 0.517 nan 8.380 nan 0.000 0.490 1447 V N 0.739 120.343 119.914 -0.516 0.000 3.049 1447 V HA 0.532 4.652 4.120 -0.000 0.000 0.309 1447 V C -0.388 175.601 176.094 -0.176 0.000 1.148 1447 V CA -1.172 60.897 62.300 -0.385 0.000 0.990 1447 V CB 1.625 33.219 31.823 -0.380 0.000 1.039 1447 V HN 0.656 nan 8.190 nan 0.000 0.430 1448 E N 3.971 124.099 120.200 -0.120 0.000 2.313 1448 E HA 0.686 5.036 4.350 -0.000 0.000 0.272 1448 E C -0.375 176.201 176.600 -0.040 0.000 1.038 1448 E CA -0.847 55.513 56.400 -0.067 0.000 0.863 1448 E CB 1.530 31.194 29.700 -0.061 0.000 1.060 1448 E HN 0.822 nan 8.360 nan 0.000 0.402 1449 L N 2.226 123.440 121.223 -0.015 0.000 3.523 1449 L HA -0.200 4.140 4.340 -0.000 0.000 0.668 1449 L C -0.308 176.581 176.870 0.033 0.000 1.211 1449 L CA 0.168 55.014 54.840 0.009 0.000 1.096 1449 L CB -1.537 40.516 42.059 -0.010 0.000 1.617 1449 L HN 0.781 nan 8.230 nan 0.000 0.873 1450 I N 0.137 120.744 120.570 0.061 0.000 2.308 1450 I HA 0.343 4.513 4.170 -0.000 0.000 0.293 1450 I C 0.733 176.906 176.117 0.093 0.000 1.078 1450 I CA -0.148 61.187 61.300 0.058 0.000 1.292 1450 I CB 1.286 39.305 38.000 0.031 0.000 1.423 1450 I HN 0.498 nan 8.210 nan 0.000 0.493 1451 Q N 7.895 127.736 119.800 0.069 0.000 2.414 1451 Q HA 0.244 4.584 4.340 -0.000 0.000 0.288 1451 Q C -2.282 173.748 176.000 0.050 0.000 1.086 1451 Q CA -1.079 54.763 55.803 0.066 0.000 0.943 1451 Q CB 0.507 29.270 28.738 0.042 0.000 1.282 1451 Q HN 0.491 nan 8.270 nan 0.000 0.438 1452 P HA 0.161 nan 4.420 nan 0.000 0.280 1452 P C -0.646 176.539 177.300 -0.193 0.000 1.244 1452 P CA -0.130 62.952 63.100 -0.030 0.000 0.784 1452 P CB 1.147 32.873 31.700 0.042 0.000 0.913 1453 G N 1.849 110.293 108.800 -0.593 0.000 2.651 1453 G HA2 0.529 4.489 3.960 -0.000 0.000 0.260 1453 G HA3 0.529 4.489 3.960 -0.000 0.000 0.260 1453 G C -0.912 173.592 174.900 -0.660 0.000 1.216 1453 G CA -0.158 44.515 45.100 -0.712 0.000 0.913 1453 G HN 0.649 nan 8.290 nan 0.000 0.535 1454 A N -1.013 121.602 122.820 -0.342 0.000 2.574 1454 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 1454 A C -0.998 176.523 177.584 -0.104 0.000 1.062 1454 A CA -0.456 51.413 52.037 -0.279 0.000 0.686 1454 A CB 1.659 20.292 19.000 -0.612 0.000 1.285 1454 A HN 1.097 nan 8.150 nan 0.000 0.403 1455 V N 1.096 120.956 119.914 -0.090 0.000 2.630 1455 V HA 0.706 4.826 4.120 -0.000 0.000 0.305 1455 V C 0.064 176.079 176.094 -0.131 0.000 1.046 1455 V CA -0.585 61.672 62.300 -0.071 0.000 0.934 1455 V CB 1.807 33.608 31.823 -0.038 0.000 1.003 1455 V HN 0.968 nan 8.190 nan 0.000 0.451 1456 K N 2.011 122.342 120.400 -0.113 0.000 2.469 1456 K HA 0.828 5.148 4.320 -0.000 0.000 0.254 1456 K C -1.406 175.100 176.600 -0.157 0.000 0.939 1456 K CA -0.571 55.660 56.287 -0.094 0.000 0.812 1456 K CB 2.349 34.837 32.500 -0.020 0.000 1.301 1456 K HN 0.629 nan 8.250 nan 0.000 0.433 1457 V N 0.018 119.823 119.914 -0.182 0.000 3.040 1457 V HA 0.858 4.978 4.120 -0.000 0.000 0.312 1457 V C -1.419 174.398 176.094 -0.462 0.000 1.115 1457 V CA -0.686 61.337 62.300 -0.461 0.000 0.998 1457 V CB 1.112 32.586 31.823 -0.581 0.000 1.042 1457 V HN 0.953 nan 8.190 nan 0.000 0.433 1458 Y N -0.532 119.314 120.300 -0.757 0.000 2.841 1458 Y HA 0.828 5.378 4.550 -0.000 0.000 0.373 1458 Y C -0.522 175.115 175.900 -0.438 0.000 1.170 1458 Y CA -0.916 56.788 58.100 -0.660 0.000 1.196 1458 Y CB 0.380 38.666 38.460 -0.291 0.000 1.433 1458 Y HN 1.188 nan 8.280 nan 0.000 0.479 1459 A N 1.423 124.204 122.820 -0.064 0.000 2.327 1459 A HA 0.448 4.768 4.320 -0.000 0.000 0.283 1459 A C 0.516 178.016 177.584 -0.140 0.000 1.127 1459 A CA -0.164 51.773 52.037 -0.167 0.000 0.810 1459 A CB -0.169 18.545 19.000 -0.476 0.000 1.066 1459 A HN 1.339 nan 8.150 nan 0.000 0.492 1460 Y N 2.212 122.491 120.300 -0.035 0.000 2.139 1460 Y HA -0.397 4.153 4.550 -0.000 0.000 0.282 1460 Y C 1.763 177.705 175.900 0.070 0.000 1.179 1460 Y CA 2.333 60.490 58.100 0.094 0.000 1.161 1460 Y CB -1.178 37.340 38.460 0.097 0.000 0.970 1460 Y HN 0.781 nan 8.280 nan 0.000 0.511 1461 Y N 0.610 120.244 120.300 -1.110 0.000 2.097 1461 Y HA -0.064 4.486 4.550 -0.000 0.000 0.282 1461 Y C 0.622 176.333 175.900 -0.315 0.000 1.152 1461 Y CA 0.852 58.400 58.100 -0.920 0.000 1.136 1461 Y CB -0.881 37.133 38.460 -0.745 0.000 0.975 1461 Y HN 0.209 nan 8.280 nan 0.000 0.498 1462 N N 0.295 118.768 118.700 -0.377 0.000 2.448 1462 N HA 0.165 4.905 4.740 -0.000 0.000 0.279 1462 N C -0.159 175.243 175.510 -0.180 0.000 1.025 1462 N CA -0.545 52.439 53.050 -0.111 0.000 0.898 1462 N CB 1.741 40.313 38.487 0.142 0.000 1.303 1462 N HN 0.372 nan 8.380 nan 0.000 0.495 1463 L N 3.779 124.877 121.223 -0.208 0.000 2.209 1463 L HA 0.250 4.590 4.340 -0.000 0.000 0.207 1463 L C 1.350 178.080 176.870 -0.234 0.000 1.094 1463 L CA 1.593 56.199 54.840 -0.389 0.000 0.790 1463 L CB 0.041 41.844 42.059 -0.425 0.000 0.932 1463 L HN 0.556 nan 8.230 nan 0.000 0.447 1464 E N 0.502 120.638 120.200 -0.107 0.000 2.268 1464 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 1464 E C 0.331 176.936 176.600 0.009 0.000 0.995 1464 E CA 0.935 57.308 56.400 -0.046 0.000 0.836 1464 E CB -0.097 29.595 29.700 -0.014 0.000 0.763 1464 E HN 0.627 nan 8.360 nan 0.000 0.491 1465 E N 1.382 121.609 120.200 0.045 0.000 2.028 1465 E HA 0.146 4.496 4.350 -0.000 0.000 0.275 1465 E C -0.423 176.296 176.600 0.198 0.000 1.171 1465 E CA -0.260 56.222 56.400 0.138 0.000 1.186 1465 E CB 0.249 30.067 29.700 0.196 0.000 1.256 1465 E HN 0.003 nan 8.360 nan 0.000 0.474 1466 S N 0.922 116.697 115.700 0.126 0.000 2.739 1466 S HA 0.654 5.124 4.470 -0.000 0.000 0.306 1466 S C -0.412 174.269 174.600 0.136 0.000 1.115 1466 S CA -0.828 57.444 58.200 0.120 0.000 0.985 1466 S CB 2.029 65.256 63.200 0.045 0.000 1.133 1466 S HN 0.526 nan 8.310 nan 0.000 0.541 1467 c N 0.628 119.282 118.600 0.090 0.000 3.080 1467 c HA 0.906 5.476 4.570 -0.000 0.000 0.307 1467 c C -1.319 172.778 174.090 0.012 0.000 1.311 1467 c CA -0.028 56.350 56.329 0.082 0.000 1.533 1467 c CB 1.083 43.677 42.510 0.139 0.000 1.970 1467 c HN 1.058 nan 8.230 nan 0.000 0.467 1468 T N 3.578 118.130 114.554 -0.003 0.000 3.509 1468 T HA 0.365 4.714 4.350 -0.000 0.000 0.330 1468 T C -1.024 173.602 174.700 -0.123 0.000 0.851 1468 T CA -0.455 61.588 62.100 -0.094 0.000 1.057 1468 T CB 0.559 69.366 68.868 -0.102 0.000 1.023 1468 T HN 0.597 nan 8.240 nan 0.000 0.470 1469 R N 1.706 122.130 120.500 -0.128 0.000 2.338 1469 R HA 0.763 5.103 4.340 -0.000 0.000 0.317 1469 R C -0.843 175.395 176.300 -0.103 0.000 0.968 1469 R CA -1.376 54.705 56.100 -0.032 0.000 0.849 1469 R CB 0.206 30.530 30.300 0.040 0.000 1.128 1469 R HN 0.448 nan 8.270 nan 0.000 0.448 1470 F N 3.561 123.533 119.950 0.036 0.000 2.368 1470 F HA 0.414 4.941 4.527 -0.000 0.000 0.315 1470 F C 0.306 176.158 175.800 0.086 0.000 1.145 1470 F CA -0.143 57.856 58.000 -0.002 0.000 1.095 1470 F CB 0.528 39.501 39.000 -0.045 0.000 1.286 1470 F HN 0.462 nan 8.300 nan 0.000 0.530 1471 Y N -1.266 119.146 120.300 0.188 0.000 2.609 1471 Y HA 0.712 5.262 4.550 -0.000 0.000 0.336 1471 Y C -1.343 174.627 175.900 0.116 0.000 1.129 1471 Y CA -1.272 56.884 58.100 0.093 0.000 1.040 1471 Y CB 1.487 39.943 38.460 -0.006 0.000 1.310 1471 Y HN 0.746 nan 8.280 nan 0.000 0.460 1472 H N 1.622 120.789 119.070 0.161 0.000 3.057 1472 H HA 0.240 4.796 4.556 -0.000 0.000 0.308 1472 H C -2.874 172.478 175.328 0.040 0.000 1.276 1472 H CA -1.469 54.594 56.048 0.026 0.000 1.325 1472 H CB 2.672 32.410 29.762 -0.038 0.000 1.963 1472 H HN 0.498 nan 8.280 nan 0.000 0.524 1473 P HA -0.008 nan 4.420 nan 0.000 0.216 1473 P C 0.627 178.025 177.300 0.164 0.000 1.153 1473 P CA 1.375 64.454 63.100 -0.036 0.000 0.844 1473 P CB 0.744 32.347 31.700 -0.162 0.000 0.787 1474 E N -0.950 119.503 120.200 0.423 0.000 2.134 1474 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 1474 E C 0.360 177.048 176.600 0.146 0.000 0.937 1474 E CA -0.020 56.531 56.400 0.253 0.000 0.874 1474 E CB -0.121 29.709 29.700 0.218 0.000 0.853 1474 E HN 0.006 nan 8.360 nan 0.000 0.471 1475 K N 2.348 122.728 120.400 -0.032 0.000 2.530 1475 K HA -0.113 4.207 4.320 -0.000 0.000 0.280 1475 K C 0.825 177.424 176.600 -0.003 0.000 1.004 1475 K CA 0.292 56.476 56.287 -0.171 0.000 1.071 1475 K CB 0.358 32.569 32.500 -0.483 0.000 0.876 1475 K HN 0.122 nan 8.250 nan 0.000 0.487 1476 E N 2.019 122.225 120.200 0.008 0.000 2.021 1476 E HA -0.269 4.081 4.350 -0.000 0.000 0.200 1476 E C 0.279 176.908 176.600 0.049 0.000 1.015 1476 E CA 1.667 58.089 56.400 0.036 0.000 0.824 1476 E CB 0.189 29.908 29.700 0.031 0.000 0.762 1476 E HN 0.532 nan 8.360 nan 0.000 0.454 1477 D N -1.905 118.515 120.400 0.033 0.000 2.424 1477 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 1477 D C 0.419 176.770 176.300 0.084 0.000 1.150 1477 D CA 0.665 54.701 54.000 0.059 0.000 0.831 1477 D CB 0.750 41.575 40.800 0.042 0.000 0.981 1477 D HN 0.406 nan 8.370 nan 0.000 0.500 1478 G N 1.329 110.167 108.800 0.063 0.000 2.153 1478 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 1478 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 1478 G C 0.486 175.301 174.900 -0.142 0.000 0.994 1478 G CA 0.188 45.319 45.100 0.052 0.000 0.698 1478 G HN 0.179 nan 8.290 nan 0.000 0.521 1479 K N 0.545 120.853 120.400 -0.153 0.000 2.227 1479 K HA 0.646 4.966 4.320 -0.000 0.000 0.280 1479 K C 1.299 177.780 176.600 -0.198 0.000 1.041 1479 K CA -0.577 55.578 56.287 -0.220 0.000 0.905 1479 K CB 0.484 32.912 32.500 -0.119 0.000 1.068 1479 K HN 0.241 nan 8.250 nan 0.000 0.470 1480 L N 2.398 123.488 121.223 -0.223 0.000 2.473 1480 L HA 0.063 4.403 4.340 -0.000 0.000 0.265 1480 L C 0.203 177.037 176.870 -0.061 0.000 1.243 1480 L CA -0.053 54.696 54.840 -0.151 0.000 0.822 1480 L CB 0.240 42.215 42.059 -0.138 0.000 1.101 1480 L HN 0.619 nan 8.230 nan 0.000 0.507 1481 N N 1.660 120.348 118.700 -0.020 0.000 2.437 1481 N HA 0.222 4.962 4.740 -0.000 0.000 0.243 1481 N C -0.796 174.798 175.510 0.139 0.000 1.041 1481 N CA -0.268 52.850 53.050 0.112 0.000 0.940 1481 N CB 0.785 39.282 38.487 0.017 0.000 1.133 1481 N HN 0.422 nan 8.380 nan 0.000 0.506 1482 K N 0.105 120.602 120.400 0.162 0.000 2.352 1482 K HA 0.681 5.000 4.320 -0.000 0.000 0.240 1482 K C -1.101 175.585 176.600 0.142 0.000 1.017 1482 K CA -1.083 55.277 56.287 0.122 0.000 0.851 1482 K CB 1.678 34.213 32.500 0.059 0.000 1.261 1482 K HN 0.059 nan 8.250 nan 0.000 0.451 1483 L N 1.602 122.916 121.223 0.152 0.000 2.427 1483 L HA 0.380 4.720 4.340 -0.000 0.000 0.264 1483 L C -1.823 175.299 176.870 0.420 0.000 0.989 1483 L CA -0.509 54.465 54.840 0.223 0.000 0.865 1483 L CB 0.782 42.877 42.059 0.060 0.000 1.209 1483 L HN 0.888 nan 8.230 nan 0.000 0.430 1484 c N 3.525 122.316 118.600 0.319 0.000 2.340 1484 c HA 0.646 5.216 4.570 -0.000 0.000 0.323 1484 c C 0.328 174.409 174.090 -0.016 0.000 1.260 1484 c CA -0.956 55.471 56.329 0.163 0.000 1.464 1484 c CB 1.177 43.723 42.510 0.059 0.000 2.156 1484 c HN 0.821 nan 8.230 nan 0.000 0.476 1485 R N 2.554 122.895 120.500 -0.264 0.000 2.396 1485 R HA 0.384 4.724 4.340 -0.000 0.000 0.292 1485 R C -0.223 175.902 176.300 -0.292 0.000 1.240 1485 R CA 0.252 56.060 56.100 -0.488 0.000 1.270 1485 R CB -0.123 29.498 30.300 -1.133 0.000 1.108 1485 R HN 1.000 nan 8.270 nan 0.000 0.573 1486 D N 0.998 121.289 120.400 -0.181 0.000 4.881 1486 D HA -0.214 4.426 4.640 -0.000 0.000 0.143 1486 D C 0.437 176.687 176.300 -0.083 0.000 0.667 1486 D CA 1.561 55.485 54.000 -0.126 0.000 1.397 1486 D CB -0.541 40.175 40.800 -0.140 0.000 0.889 1486 D HN 0.581 nan 8.370 nan 0.000 0.544 1487 E N -0.221 119.935 120.200 -0.075 0.000 2.290 1487 E HA 0.135 4.485 4.350 -0.000 0.000 0.199 1487 E C 0.741 177.323 176.600 -0.029 0.000 0.912 1487 E CA -0.203 56.171 56.400 -0.043 0.000 0.924 1487 E CB 0.829 30.508 29.700 -0.036 0.000 0.901 1487 E HN 0.117 nan 8.360 nan 0.000 0.487 1488 L N 0.516 121.717 121.223 -0.037 0.000 2.453 1488 L HA 0.210 4.550 4.340 -0.000 0.000 0.261 1488 L C -0.581 176.306 176.870 0.029 0.000 1.179 1488 L CA 0.099 54.938 54.840 -0.002 0.000 0.813 1488 L CB 1.409 43.469 42.059 0.001 0.000 1.110 1488 L HN 0.116 nan 8.230 nan 0.000 0.466 1489 c N 4.695 123.342 118.600 0.078 0.000 3.178 1489 c HA 0.514 5.084 4.570 -0.000 0.000 0.428 1489 c C -0.365 173.797 174.090 0.121 0.000 0.967 1489 c CA -0.866 55.540 56.329 0.128 0.000 1.205 1489 c CB 0.647 43.208 42.510 0.085 0.000 1.584 1489 c HN 1.016 nan 8.230 nan 0.000 0.591 1490 R N 3.456 124.050 120.500 0.156 0.000 2.705 1490 R HA 0.833 5.173 4.340 -0.000 0.000 0.246 1490 R C -0.399 175.946 176.300 0.076 0.000 1.142 1490 R CA -0.453 55.709 56.100 0.103 0.000 1.114 1490 R CB 0.606 30.968 30.300 0.103 0.000 1.256 1490 R HN 0.647 nan 8.270 nan 0.000 0.536 1491 C N 0.290 119.618 119.300 0.047 0.000 2.452 1491 C HA 0.682 5.142 4.460 -0.000 0.000 0.379 1491 C C 0.235 175.237 174.990 0.020 0.000 1.275 1491 C CA 0.190 59.226 59.018 0.030 0.000 2.056 1491 C CB 0.228 27.977 27.740 0.014 0.000 2.506 1491 C HN 0.788 nan 8.230 nan 0.000 0.560 1492 A N 4.663 127.496 122.820 0.022 0.000 3.365 1492 A HA 0.407 4.727 4.320 -0.000 0.000 0.258 1492 A C 0.147 177.701 177.584 -0.050 0.000 0.964 1492 A CA 0.030 52.066 52.037 -0.002 0.000 0.988 1492 A CB -0.008 19.032 19.000 0.067 0.000 1.193 1492 A HN 0.839 nan 8.150 nan 0.000 0.508 1493 E N 0.754 120.920 120.200 -0.056 0.000 2.789 1493 E HA 0.099 4.449 4.350 -0.000 0.000 0.208 1493 E C 0.021 176.574 176.600 -0.078 0.000 0.988 1493 E CA -0.059 56.294 56.400 -0.079 0.000 1.092 1493 E CB 0.388 30.051 29.700 -0.062 0.000 1.066 1493 E HN 0.673 nan 8.360 nan 0.000 0.465 1494 E N 0.905 121.059 120.200 -0.077 0.000 4.252 1494 E HA -0.103 4.247 4.350 -0.000 0.000 0.504 1494 E C 1.171 177.710 176.600 -0.101 0.000 1.537 1494 E CA 0.389 56.744 56.400 -0.074 0.000 3.138 1494 E CB -0.009 29.650 29.700 -0.067 0.000 1.223 1494 E HN 0.390 nan 8.360 nan 0.000 0.580 1495 N N -0.682 117.944 118.700 -0.123 0.000 1.746 1495 N HA 0.296 5.036 4.740 -0.000 0.000 0.227 1495 N C -0.266 175.151 175.510 -0.155 0.000 1.154 1495 N CA 0.097 53.041 53.050 -0.176 0.000 1.033 1495 N CB 0.317 38.636 38.487 -0.280 0.000 1.387 1495 N HN 0.571 nan 8.380 nan 0.000 0.443 1496 c N -1.871 116.626 118.600 -0.172 0.000 3.005 1496 c HA 0.500 5.070 4.570 -0.000 0.000 0.349 1496 c C -0.617 173.485 174.090 0.020 0.000 1.032 1496 c CA -1.671 54.608 56.329 -0.082 0.000 1.383 1496 c CB -1.898 40.555 42.510 -0.095 0.000 1.696 1496 c HN 0.944 nan 8.230 nan 0.000 0.415 1497 F N 2.364 122.213 119.950 -0.168 0.000 2.875 1497 F HA 0.394 4.921 4.527 -0.000 0.000 0.313 1497 F C -0.245 175.418 175.800 -0.227 0.000 0.906 1497 F CA -1.170 56.682 58.000 -0.246 0.000 0.857 1497 F CB -0.800 38.059 39.000 -0.234 0.000 3.357 1497 F HN 0.781 nan 8.300 nan 0.000 0.285 1504 K N 2.844 123.222 120.400 -0.037 0.000 2.259 1504 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 1504 K C 0.991 177.570 176.600 -0.034 0.000 1.044 1504 K CA 2.190 58.458 56.287 -0.033 0.000 0.931 1504 K CB -0.491 31.995 32.500 -0.024 0.000 0.726 1504 K HN 1.251 nan 8.250 nan 0.000 0.467 1505 V N -3.024 116.868 119.914 -0.037 0.000 6.695 1505 V HA -0.212 3.908 4.120 -0.000 0.000 0.358 1505 V C -0.141 175.951 176.094 -0.003 0.000 0.405 1505 V CA 0.586 62.871 62.300 -0.025 0.000 0.723 1505 V CB -3.739 28.066 31.823 -0.029 0.000 0.285 1505 V HN 0.482 nan 8.190 nan 0.000 1.170 1506 T N 0.570 115.122 114.554 -0.003 0.000 2.902 1506 T HA 0.593 4.943 4.350 -0.000 0.000 0.301 1506 T C 1.007 175.702 174.700 -0.009 0.000 1.012 1506 T CA 0.263 62.357 62.100 -0.009 0.000 1.151 1506 T CB 1.463 70.325 68.868 -0.011 0.000 0.946 1506 T HN 1.936 nan 8.240 nan 0.000 0.542 1507 L N -0.121 121.078 121.223 -0.041 0.000 3.086 1507 L HA 0.548 4.888 4.340 -0.000 0.000 0.274 1507 L C 1.855 178.648 176.870 -0.127 0.000 1.184 1507 L CA -0.379 54.408 54.840 -0.087 0.000 1.002 1507 L CB -0.119 41.885 42.059 -0.091 0.000 1.383 1507 L HN 0.619 nan 8.230 nan 0.000 0.582 1508 E N 2.298 122.442 120.200 -0.094 0.000 2.110 1508 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 1508 E C 1.900 178.419 176.600 -0.134 0.000 0.988 1508 E CA 2.156 58.497 56.400 -0.099 0.000 0.804 1508 E CB 0.063 29.721 29.700 -0.070 0.000 0.745 1508 E HN 0.781 nan 8.360 nan 0.000 0.458 1509 E N 0.774 120.894 120.200 -0.134 0.000 1.993 1509 E HA -0.240 4.110 4.350 -0.000 0.000 0.198 1509 E C 0.549 176.983 176.600 -0.277 0.000 0.999 1509 E CA 0.308 56.610 56.400 -0.163 0.000 0.850 1509 E CB -0.806 28.825 29.700 -0.116 0.000 0.796 1509 E HN 0.053 nan 8.360 nan 0.000 0.482 1510 R N 1.096 121.383 120.500 -0.354 0.000 4.360 1510 R HA -0.189 4.151 4.340 -0.000 0.000 0.119 1510 R C 0.080 175.908 176.300 -0.787 0.000 0.311 1510 R CA 0.909 56.611 56.100 -0.664 0.000 0.816 1510 R CB -0.520 29.357 30.300 -0.704 0.000 1.070 1510 R HN 0.607 nan 8.270 nan 0.000 0.227 1511 L N 2.232 123.018 121.223 -0.727 0.000 1.762 1511 L HA -0.201 4.139 4.340 -0.000 0.000 0.492 1511 L C 0.228 176.923 176.870 -0.292 0.000 0.761 1511 L CA 1.948 56.537 54.840 -0.418 0.000 2.469 1511 L CB -1.132 40.782 42.059 -0.241 0.000 1.111 1511 L HN 0.727 nan 8.230 nan 0.000 0.562 1512 D N -0.293 119.922 120.400 -0.308 0.000 2.394 1512 D HA 0.056 4.696 4.640 -0.000 0.000 0.226 1512 D C 1.696 177.873 176.300 -0.206 0.000 0.990 1512 D CA 1.383 55.262 54.000 -0.201 0.000 0.902 1512 D CB 0.349 41.058 40.800 -0.151 0.000 1.038 1512 D HN 0.481 nan 8.370 nan 0.000 0.499 1513 K N -0.356 119.877 120.400 -0.277 0.000 2.308 1513 K HA 0.275 4.595 4.320 -0.000 0.000 0.197 1513 K C 1.506 177.914 176.600 -0.319 0.000 1.049 1513 K CA 0.542 56.714 56.287 -0.192 0.000 0.991 1513 K CB 0.500 32.962 32.500 -0.063 0.000 0.836 1513 K HN 0.052 nan 8.250 nan 0.000 0.500 1514 A N -0.086 122.282 122.820 -0.753 0.000 2.275 1514 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 1514 A C 1.493 178.707 177.584 -0.617 0.000 1.201 1514 A CA 0.212 51.526 52.037 -1.205 0.000 0.843 1514 A CB -0.209 17.375 19.000 -2.359 0.000 0.873 1514 A HN 0.301 nan 8.150 nan 0.000 0.492 1515 c N 0.595 118.973 118.600 -0.370 0.000 2.855 1515 c HA 0.206 4.776 4.570 -0.000 0.000 0.279 1515 c C 0.786 174.795 174.090 -0.134 0.000 1.270 1515 c CA -0.827 55.378 56.329 -0.206 0.000 1.702 1515 c CB -1.473 40.949 42.510 -0.148 0.000 1.949 1515 c HN 0.550 nan 8.230 nan 0.000 0.618 1516 E N 2.066 122.186 120.200 -0.133 0.000 2.604 1516 E HA -0.090 4.260 4.350 -0.000 0.000 0.267 1516 E C -1.229 175.353 176.600 -0.029 0.000 0.970 1516 E CA -0.309 56.058 56.400 -0.056 0.000 0.956 1516 E CB 0.443 30.136 29.700 -0.012 0.000 0.939 1516 E HN 0.198 nan 8.360 nan 0.000 0.465 1517 P HA -0.318 nan 4.420 nan 0.000 0.221 1517 P C 0.986 178.296 177.300 0.016 0.000 1.107 1517 P CA 2.031 65.134 63.100 0.005 0.000 0.986 1517 P CB -0.142 31.567 31.700 0.015 0.000 0.774 1518 G N -1.083 107.736 108.800 0.032 0.000 2.609 1518 G HA2 0.086 4.046 3.960 -0.000 0.000 0.167 1518 G HA3 0.086 4.046 3.960 -0.000 0.000 0.167 1518 G C 0.072 175.003 174.900 0.052 0.000 1.668 1518 G CA 0.800 45.930 45.100 0.050 0.000 0.886 1518 G HN 0.359 nan 8.290 nan 0.000 0.378 1519 V N -0.061 119.899 119.914 0.076 0.000 3.765 1519 V HA -0.124 3.996 4.120 -0.000 0.000 0.536 1519 V C -0.100 176.056 176.094 0.103 0.000 0.682 1519 V CA 2.076 64.428 62.300 0.087 0.000 2.098 1519 V CB 0.000 31.818 31.823 -0.009 0.000 2.497 1519 V HN 1.188 nan 8.190 nan 0.000 0.519 1520 D N 2.162 122.658 120.400 0.159 0.000 4.099 1520 D HA 0.342 4.982 4.640 -0.000 0.000 0.262 1520 D C -0.902 175.611 176.300 0.356 0.000 1.445 1520 D CA 0.615 54.742 54.000 0.211 0.000 0.779 1520 D CB 0.150 41.076 40.800 0.211 0.000 1.348 1520 D HN 1.517 nan 8.370 nan 0.000 0.803 1521 Y N -1.442 118.853 120.300 -0.008 0.000 2.026 1521 Y HA 0.305 4.855 4.550 -0.000 0.000 0.313 1521 Y C -2.526 173.235 175.900 -0.232 0.000 1.343 1521 Y CA -1.276 56.712 58.100 -0.187 0.000 1.671 1521 Y CB -0.468 37.812 38.460 -0.300 0.000 1.238 1521 Y HN -0.114 nan 8.280 nan 0.000 0.397 1522 V N 5.526 125.221 119.914 -0.365 0.000 2.378 1522 V HA 0.582 4.702 4.120 -0.000 0.000 0.288 1522 V C -1.120 175.060 176.094 0.143 0.000 1.016 1522 V CA -0.717 61.466 62.300 -0.195 0.000 0.840 1522 V CB 0.976 32.795 31.823 -0.005 0.000 0.994 1522 V HN 0.598 nan 8.190 nan 0.000 0.431 1523 Y N 2.974 123.357 120.300 0.138 0.000 2.338 1523 Y HA 0.672 5.222 4.550 0.000 0.000 0.333 1523 Y C 0.103 176.097 175.900 0.156 0.000 0.968 1523 Y CA -2.078 56.128 58.100 0.177 0.000 1.123 1523 Y CB 1.994 40.610 38.460 0.260 0.000 1.165 1523 Y HN 0.703 nan 8.280 nan 0.000 0.452 1524 K N 1.790 122.374 120.400 0.308 0.000 2.144 1524 K HA 0.667 4.987 4.320 -0.000 0.000 0.270 1524 K C -0.134 176.528 176.600 0.102 0.000 1.005 1524 K CA 0.014 56.451 56.287 0.250 0.000 0.932 1524 K CB 1.120 33.739 32.500 0.197 0.000 1.021 1524 K HN 0.813 nan 8.250 nan 0.000 0.462 1525 T N 0.465 115.055 114.554 0.059 0.000 2.731 1525 T HA 0.583 4.933 4.350 -0.000 0.000 0.300 1525 T C -1.562 173.088 174.700 -0.083 0.000 1.283 1525 T CA -1.117 60.975 62.100 -0.013 0.000 1.005 1525 T CB 0.902 69.793 68.868 0.037 0.000 1.420 1525 T HN 0.841 nan 8.240 nan 0.000 0.503 1526 R N 1.755 122.200 120.500 -0.091 0.000 2.510 1526 R HA 0.603 4.943 4.340 -0.000 0.000 0.294 1526 R C -0.994 175.358 176.300 0.085 0.000 1.056 1526 R CA -1.037 55.026 56.100 -0.062 0.000 0.918 1526 R CB 1.306 31.382 30.300 -0.373 0.000 1.187 1526 R HN 0.706 nan 8.270 nan 0.000 0.437 1527 L N 6.260 127.617 121.223 0.224 0.000 2.513 1527 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 1527 L C 0.207 177.176 176.870 0.164 0.000 1.187 1527 L CA 0.729 55.691 54.840 0.204 0.000 0.895 1527 L CB 1.316 43.556 42.059 0.301 0.000 1.147 1527 L HN 0.897 nan 8.230 nan 0.000 0.483 1528 V N 1.798 121.794 119.914 0.136 0.000 3.485 1528 V HA 0.419 4.539 4.120 -0.000 0.000 0.280 1528 V C 0.442 176.596 176.094 0.101 0.000 1.495 1528 V CA -0.272 62.092 62.300 0.106 0.000 1.018 1528 V CB 0.042 31.913 31.823 0.079 0.000 0.818 1528 V HN 0.793 nan 8.190 nan 0.000 0.436 1529 K N 1.775 122.247 120.400 0.120 0.000 2.589 1529 K HA 0.517 4.837 4.320 -0.000 0.000 0.253 1529 K C -1.222 175.436 176.600 0.098 0.000 0.974 1529 K CA -0.455 55.889 56.287 0.095 0.000 0.835 1529 K CB 2.822 35.364 32.500 0.070 0.000 1.272 1529 K HN 0.212 nan 8.250 nan 0.000 0.444 1530 V N 1.984 121.942 119.914 0.074 0.000 2.368 1530 V HA 0.287 4.407 4.120 -0.000 0.000 0.266 1530 V C 0.532 176.604 176.094 -0.037 0.000 1.045 1530 V CA -0.290 62.016 62.300 0.009 0.000 0.899 1530 V CB 1.299 33.151 31.823 0.050 0.000 1.006 1530 V HN 0.860 nan 8.190 nan 0.000 0.470 1531 Q N 4.615 124.357 119.800 -0.096 0.000 2.425 1531 Q HA 0.241 4.580 4.340 -0.000 0.000 0.204 1531 Q C 0.698 176.658 176.000 -0.067 0.000 0.933 1531 Q CA 0.460 56.227 55.803 -0.060 0.000 0.939 1531 Q CB -0.394 28.315 28.738 -0.048 0.000 1.044 1531 Q HN 0.885 nan 8.270 nan 0.000 0.513 1532 L N 0.385 121.547 121.223 -0.102 0.000 3.678 1532 L HA -0.222 4.118 4.340 -0.000 0.000 0.425 1532 L C -0.284 176.554 176.870 -0.053 0.000 1.240 1532 L CA 0.969 55.766 54.840 -0.072 0.000 0.876 1532 L CB -3.073 38.967 42.059 -0.032 0.000 1.766 1532 L HN 0.025 nan 8.230 nan 0.000 0.917 1533 S N 0.533 116.191 115.700 -0.070 0.000 2.945 1533 S HA -0.108 4.362 4.470 -0.000 0.000 0.344 1533 S C 1.799 176.404 174.600 0.008 0.000 1.066 1533 S CA 0.733 58.921 58.200 -0.021 0.000 1.721 1533 S CB -0.577 62.621 63.200 -0.005 0.000 1.330 1533 S HN 0.740 nan 8.310 nan 0.000 0.623 1534 N N 2.979 121.683 118.700 0.008 0.000 2.231 1534 N HA -0.335 4.405 4.740 -0.000 0.000 0.199 1534 N C 1.304 176.840 175.510 0.043 0.000 0.965 1534 N CA 2.248 55.309 53.050 0.019 0.000 0.919 1534 N CB -0.237 38.260 38.487 0.017 0.000 1.067 1534 N HN 0.839 nan 8.380 nan 0.000 0.583 1535 D N -0.512 119.930 120.400 0.070 0.000 2.101 1535 D HA -0.080 4.560 4.640 -0.000 0.000 0.286 1535 D C 0.632 177.079 176.300 0.246 0.000 1.145 1535 D CA -0.091 53.996 54.000 0.146 0.000 0.883 1535 D CB -0.959 39.915 40.800 0.123 0.000 0.935 1535 D HN 0.159 nan 8.370 nan 0.000 0.313 1536 F N 0.632 120.568 119.950 -0.024 0.000 2.435 1536 F HA 0.117 4.644 4.527 -0.000 0.000 0.316 1536 F C 1.015 176.788 175.800 -0.045 0.000 1.220 1536 F CA -0.656 57.330 58.000 -0.024 0.000 1.241 1536 F CB 0.624 39.615 39.000 -0.014 0.000 1.234 1536 F HN 0.107 nan 8.300 nan 0.000 0.569 1537 D N 1.035 121.491 120.400 0.093 0.000 2.217 1537 D HA 0.143 4.783 4.640 -0.000 0.000 0.243 1537 D C -1.070 175.172 176.300 -0.096 0.000 1.054 1537 D CA -0.411 53.541 54.000 -0.081 0.000 0.838 1537 D CB 0.896 41.534 40.800 -0.270 0.000 1.162 1537 D HN 0.379 nan 8.370 nan 0.000 0.472 1538 E N 2.832 122.961 120.200 -0.117 0.000 2.229 1538 E HA 0.206 4.556 4.350 -0.000 0.000 0.283 1538 E C -0.728 175.779 176.600 -0.154 0.000 1.030 1538 E CA -0.449 55.933 56.400 -0.030 0.000 0.836 1538 E CB 0.996 30.707 29.700 0.018 0.000 1.068 1538 E HN 0.409 nan 8.360 nan 0.000 0.401 1539 Y N 2.166 122.538 120.300 0.121 0.000 2.328 1539 Y HA 0.362 4.912 4.550 -0.000 0.000 0.336 1539 Y C 0.210 176.208 175.900 0.163 0.000 0.960 1539 Y CA -0.668 57.503 58.100 0.118 0.000 1.134 1539 Y CB 1.100 39.622 38.460 0.103 0.000 1.166 1539 Y HN 0.364 nan 8.280 nan 0.000 0.464 1540 I N 4.613 125.336 120.570 0.254 0.000 2.392 1540 I HA 0.436 4.606 4.170 -0.000 0.000 0.295 1540 I C -0.588 175.660 176.117 0.219 0.000 0.985 1540 I CA -0.694 60.745 61.300 0.231 0.000 1.221 1540 I CB 1.711 39.804 38.000 0.155 0.000 1.366 1540 I HN 0.610 nan 8.210 nan 0.000 0.467 1541 M N 5.172 124.905 119.600 0.222 0.000 2.271 1541 M HA 0.508 4.988 4.480 -0.000 0.000 0.285 1541 M C -0.108 176.268 176.300 0.127 0.000 1.059 1541 M CA -0.239 55.155 55.300 0.157 0.000 0.940 1541 M CB 1.879 34.543 32.600 0.107 0.000 1.636 1541 M HN 0.717 nan 8.290 nan 0.000 0.460 1542 A N 3.334 126.196 122.820 0.071 0.000 2.290 1542 A HA 0.343 4.663 4.320 -0.000 0.000 0.308 1542 A C -0.041 177.556 177.584 0.022 0.000 1.246 1542 A CA 0.575 52.628 52.037 0.027 0.000 0.929 1542 A CB -0.006 18.974 19.000 -0.033 0.000 1.125 1542 A HN 0.815 nan 8.150 nan 0.000 0.522 1543 I N -1.838 118.716 120.570 -0.027 0.000 2.825 1543 I HA 0.173 4.343 4.170 -0.000 0.000 0.312 1543 I C 0.376 176.444 176.117 -0.082 0.000 1.558 1543 I CA 0.110 61.392 61.300 -0.029 0.000 0.779 1543 I CB 0.678 38.663 38.000 -0.025 0.000 2.082 1543 I HN 0.759 nan 8.210 nan 0.000 0.587 1544 E N 1.930 122.041 120.200 -0.148 0.000 2.494 1544 E HA -0.118 4.232 4.350 -0.000 0.000 0.209 1544 E C 0.438 176.949 176.600 -0.149 0.000 1.185 1544 E CA 0.723 57.008 56.400 -0.191 0.000 0.940 1544 E CB 0.236 29.725 29.700 -0.352 0.000 0.902 1544 E HN 0.630 nan 8.360 nan 0.000 0.577 1545 Q N -1.643 118.100 119.800 -0.095 0.000 2.994 1545 Q HA 0.025 4.365 4.340 -0.000 0.000 0.287 1545 Q C -1.685 174.298 176.000 -0.027 0.000 0.916 1545 Q CA -0.508 55.257 55.803 -0.062 0.000 0.806 1545 Q CB 1.015 29.716 28.738 -0.062 0.000 1.711 1545 Q HN 0.011 nan 8.270 nan 0.000 0.477 1546 T N 2.633 117.177 114.554 -0.017 0.000 3.064 1546 T HA 0.458 4.808 4.350 -0.000 0.000 0.367 1546 T C 0.546 175.317 174.700 0.117 0.000 1.202 1546 T CA -0.261 61.838 62.100 -0.002 0.000 1.133 1546 T CB -0.061 68.743 68.868 -0.105 0.000 1.074 1546 T HN 0.495 nan 8.240 nan 0.000 0.519 1547 I N 2.259 122.962 120.570 0.221 0.000 2.265 1547 I HA 0.221 4.391 4.170 -0.000 0.000 0.225 1547 I C 1.239 177.425 176.117 0.114 0.000 1.061 1547 I CA 0.466 61.834 61.300 0.113 0.000 1.357 1547 I CB -0.044 37.988 38.000 0.054 0.000 1.150 1547 I HN 0.347 nan 8.210 nan 0.000 0.402 1548 K N 1.713 122.195 120.400 0.137 0.000 2.183 1548 K HA 0.250 4.570 4.320 -0.000 0.000 0.274 1548 K C -0.327 176.407 176.600 0.223 0.000 1.009 1548 K CA -0.446 55.903 56.287 0.103 0.000 0.888 1548 K CB 1.029 33.534 32.500 0.008 0.000 1.078 1548 K HN 0.380 nan 8.250 nan 0.000 0.459 1549 S N 2.027 117.839 115.700 0.186 0.000 2.549 1549 S HA 0.211 4.681 4.470 -0.000 0.000 0.286 1549 S C 0.498 175.257 174.600 0.264 0.000 1.314 1549 S CA -0.807 57.531 58.200 0.231 0.000 1.062 1549 S CB 1.085 64.372 63.200 0.144 0.000 0.865 1549 S HN 0.693 nan 8.310 nan 0.000 0.498 1550 G N 1.165 110.176 108.800 0.352 0.000 2.395 1550 G HA2 0.384 4.344 3.960 -0.000 0.000 0.283 1550 G HA3 0.384 4.344 3.960 -0.000 0.000 0.283 1550 G C 0.716 175.768 174.900 0.253 0.000 1.178 1550 G CA -0.729 44.590 45.100 0.365 0.000 0.837 1550 G HN 0.722 nan 8.290 nan 0.000 0.518 1551 S N 0.373 116.221 115.700 0.246 0.000 2.402 1551 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 1551 S C 1.126 175.799 174.600 0.120 0.000 1.030 1551 S CA 1.814 60.118 58.200 0.174 0.000 1.003 1551 S CB -0.296 63.019 63.200 0.191 0.000 0.813 1551 S HN 0.883 nan 8.310 nan 0.000 0.477 1552 D N 0.575 121.051 120.400 0.127 0.000 2.225 1552 D HA 0.237 4.877 4.640 -0.000 0.000 0.248 1552 D C -0.403 175.955 176.300 0.097 0.000 1.096 1552 D CA -0.405 53.589 54.000 -0.010 0.000 0.863 1552 D CB 0.734 41.363 40.800 -0.285 0.000 1.156 1552 D HN 0.113 nan 8.370 nan 0.000 0.450 1553 E N 1.619 121.853 120.200 0.057 0.000 2.266 1553 E HA 0.419 4.769 4.350 -0.000 0.000 0.277 1553 E C -1.040 175.601 176.600 0.070 0.000 1.018 1553 E CA -0.937 55.513 56.400 0.084 0.000 0.840 1553 E CB 2.059 31.790 29.700 0.053 0.000 1.082 1553 E HN 0.313 nan 8.360 nan 0.000 0.395 1554 V N 4.130 124.093 119.914 0.081 0.000 4.076 1554 V HA 0.066 4.186 4.120 -0.000 0.000 0.361 1554 V C -0.885 175.198 176.094 -0.018 0.000 1.140 1554 V CA -0.282 62.038 62.300 0.034 0.000 1.735 1554 V CB 0.669 32.530 31.823 0.063 0.000 0.688 1554 V HN 0.675 nan 8.190 nan 0.000 0.487 1555 Q N 1.149 120.946 119.800 -0.004 0.000 2.651 1555 Q HA 0.456 4.796 4.340 -0.000 0.000 0.224 1555 Q C 0.592 176.565 176.000 -0.045 0.000 1.094 1555 Q CA 0.738 56.531 55.803 -0.017 0.000 1.018 1555 Q CB 0.864 29.601 28.738 -0.001 0.000 1.292 1555 Q HN 0.638 nan 8.270 nan 0.000 0.588 1556 V N 1.111 120.999 119.914 -0.044 0.000 3.031 1556 V HA -0.299 3.821 4.120 -0.000 0.000 0.234 1556 V C 1.702 177.761 176.094 -0.058 0.000 1.899 1556 V CA 1.792 64.059 62.300 -0.053 0.000 1.698 1556 V CB -0.796 31.005 31.823 -0.037 0.000 0.945 1556 V HN 1.112 nan 8.190 nan 0.000 0.531 1557 G N 1.754 110.516 108.800 -0.063 0.000 2.271 1557 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.277 1557 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.277 1557 G C 0.627 175.503 174.900 -0.039 0.000 1.004 1557 G CA 1.656 46.725 45.100 -0.051 0.000 0.679 1557 G HN 1.045 nan 8.290 nan 0.000 0.540 1558 Q N -0.602 119.172 119.800 -0.044 0.000 1.087 1558 Q HA 0.304 4.644 4.340 -0.000 0.000 0.896 1558 Q C 0.817 176.819 176.000 0.004 0.000 0.882 1558 Q CA 2.019 57.810 55.803 -0.019 0.000 0.916 1558 Q CB 0.036 28.760 28.738 -0.023 0.000 1.503 1558 Q HN 0.781 nan 8.270 nan 0.000 0.209 1559 Q N -2.448 117.375 119.800 0.038 0.000 2.994 1559 Q HA 0.544 4.884 4.340 -0.000 0.000 0.287 1559 Q C -1.546 174.544 176.000 0.149 0.000 0.916 1559 Q CA -0.606 55.250 55.803 0.088 0.000 0.806 1559 Q CB 1.080 29.861 28.738 0.073 0.000 1.711 1559 Q HN 0.510 nan 8.270 nan 0.000 0.477 1560 R N -0.858 119.772 120.500 0.215 0.000 3.380 1560 R HA 0.891 5.231 4.340 -0.000 0.000 0.260 1560 R C -1.131 175.331 176.300 0.268 0.000 1.074 1560 R CA -0.616 55.644 56.100 0.267 0.000 0.924 1560 R CB 1.691 32.270 30.300 0.465 0.000 1.514 1560 R HN 0.715 nan 8.270 nan 0.000 0.417 1561 T N 0.317 115.033 114.554 0.270 0.000 2.909 1561 T HA 0.587 4.937 4.350 -0.000 0.000 0.299 1561 T C -1.528 173.262 174.700 0.149 0.000 1.073 1561 T CA -0.489 61.756 62.100 0.242 0.000 0.999 1561 T CB 1.067 70.039 68.868 0.173 0.000 1.098 1561 T HN 0.168 nan 8.240 nan 0.000 0.477 1562 F N 1.977 122.061 119.950 0.223 0.000 2.444 1562 F HA 0.665 5.192 4.527 -0.000 0.000 0.342 1562 F C -0.230 175.710 175.800 0.232 0.000 1.121 1562 F CA -0.949 57.173 58.000 0.203 0.000 0.997 1562 F CB 1.096 40.151 39.000 0.092 0.000 1.130 1562 F HN 0.337 nan 8.300 nan 0.000 0.454 1563 I N 2.780 123.498 120.570 0.246 0.000 2.465 1563 I HA 0.582 4.752 4.170 -0.000 0.000 0.291 1563 I C -0.354 175.866 176.117 0.171 0.000 1.014 1563 I CA -0.403 61.010 61.300 0.188 0.000 1.093 1563 I CB 1.987 40.005 38.000 0.030 0.000 1.267 1563 I HN 0.480 nan 8.210 nan 0.000 0.431 1564 S N 6.141 121.956 115.700 0.192 0.000 2.550 1564 S HA 0.693 5.163 4.470 -0.000 0.000 0.270 1564 S C -2.833 171.710 174.600 -0.096 0.000 1.145 1564 S CA -1.283 56.963 58.200 0.077 0.000 0.852 1564 S CB 2.052 65.343 63.200 0.151 0.000 1.119 1564 S HN 0.209 nan 8.310 nan 0.000 0.465 1565 P HA 0.306 nan 4.420 nan 0.000 0.281 1565 P C 0.514 177.487 177.300 -0.545 0.000 1.274 1565 P CA -0.157 62.512 63.100 -0.718 0.000 0.794 1565 P CB 0.296 31.726 31.700 -0.450 0.000 1.201 1566 I N -1.453 118.791 120.570 -0.543 0.000 3.708 1566 I HA 0.110 4.280 4.170 -0.000 0.000 0.302 1566 I C 1.842 177.880 176.117 -0.131 0.000 1.255 1566 I CA 0.686 61.848 61.300 -0.230 0.000 1.362 1566 I CB -0.108 37.835 38.000 -0.095 0.000 1.100 1566 I HN 0.261 nan 8.210 nan 0.000 0.434 1567 K N 0.124 120.428 120.400 -0.160 0.000 2.373 1567 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 1567 K C 1.653 178.193 176.600 -0.101 0.000 1.025 1567 K CA 0.011 56.239 56.287 -0.100 0.000 1.115 1567 K CB 0.518 32.966 32.500 -0.087 0.000 0.858 1567 K HN 0.292 nan 8.250 nan 0.000 0.525 1568 c N 0.643 119.167 118.600 -0.127 0.000 2.524 1568 c HA 0.215 4.785 4.570 -0.000 0.000 0.284 1568 c C 1.279 175.340 174.090 -0.048 0.000 1.346 1568 c CA -0.132 56.139 56.329 -0.096 0.000 1.739 1568 c CB -0.559 41.883 42.510 -0.114 0.000 2.119 1568 c HN 0.516 nan 8.230 nan 0.000 0.501 1569 R N 0.868 121.359 120.500 -0.015 0.000 2.503 1569 R HA -0.065 4.275 4.340 -0.000 0.000 0.271 1569 R C 0.629 176.935 176.300 0.012 0.000 0.960 1569 R CA 1.868 57.998 56.100 0.050 0.000 1.104 1569 R CB 0.242 30.570 30.300 0.045 0.000 0.879 1569 R HN 0.646 nan 8.270 nan 0.000 0.420 1570 E N -0.236 119.979 120.200 0.026 0.000 4.182 1570 E HA -0.168 4.182 4.350 -0.000 0.000 0.326 1570 E C -0.394 176.202 176.600 -0.007 0.000 0.591 1570 E CA 1.637 58.042 56.400 0.009 0.000 1.969 1570 E CB -1.672 28.026 29.700 -0.004 0.000 1.831 1570 E HN 0.661 nan 8.360 nan 0.000 0.515 1571 A N 1.256 124.063 122.820 -0.022 0.000 3.003 1571 A HA 0.586 4.906 4.320 -0.000 0.000 0.301 1571 A C 1.134 178.693 177.584 -0.043 0.000 1.280 1571 A CA 0.047 52.063 52.037 -0.035 0.000 0.973 1571 A CB -0.218 18.751 19.000 -0.052 0.000 1.110 1571 A HN 0.147 nan 8.150 nan 0.000 0.590 1572 L N -2.376 118.830 121.223 -0.028 0.000 2.481 1572 L HA 0.097 4.437 4.340 -0.000 0.000 0.253 1572 L C 1.069 177.941 176.870 0.004 0.000 1.071 1572 L CA 0.645 55.455 54.840 -0.051 0.000 1.189 1572 L CB -1.035 40.951 42.059 -0.121 0.000 2.356 1572 L HN 0.474 nan 8.230 nan 0.000 0.545 1573 K N 1.292 121.716 120.400 0.040 0.000 3.426 1573 K HA -0.213 4.107 4.320 -0.000 0.000 0.315 1573 K C 0.186 176.863 176.600 0.128 0.000 1.293 1573 K CA 1.506 57.838 56.287 0.075 0.000 0.955 1573 K CB -3.011 29.520 32.500 0.052 0.000 1.238 1573 K HN 0.513 nan 8.250 nan 0.000 0.441 1574 L N -0.906 120.393 121.223 0.127 0.000 2.453 1574 L HA 0.337 4.677 4.340 -0.000 0.000 0.283 1574 L C 0.640 177.672 176.870 0.270 0.000 1.284 1574 L CA 0.379 55.368 54.840 0.247 0.000 0.822 1574 L CB -0.190 41.787 42.059 -0.136 0.000 1.081 1574 L HN 0.376 nan 8.230 nan 0.000 0.562 1575 E N -1.234 119.175 120.200 0.348 0.000 2.409 1575 E HA 0.207 4.557 4.350 -0.000 0.000 0.280 1575 E C -1.515 175.222 176.600 0.228 0.000 1.079 1575 E CA -0.611 55.931 56.400 0.237 0.000 0.840 1575 E CB 1.180 30.978 29.700 0.164 0.000 1.309 1575 E HN 0.512 nan 8.360 nan 0.000 0.447 1576 E N 2.100 122.398 120.200 0.164 0.000 2.481 1576 E HA 0.001 4.351 4.350 -0.000 0.000 0.263 1576 E C -0.100 176.575 176.600 0.125 0.000 0.992 1576 E CA 0.908 57.393 56.400 0.141 0.000 0.938 1576 E CB 0.392 30.154 29.700 0.103 0.000 0.933 1576 E HN 0.619 nan 8.360 nan 0.000 0.453 1577 K N 0.517 120.997 120.400 0.132 0.000 3.443 1577 K HA -0.260 4.060 4.320 -0.000 0.000 0.323 1577 K C -0.284 176.428 176.600 0.185 0.000 0.757 1577 K CA 1.813 58.184 56.287 0.140 0.000 1.417 1577 K CB -0.835 31.715 32.500 0.083 0.000 1.338 1577 K HN 0.321 nan 8.250 nan 0.000 0.459 1578 K N 2.460 122.924 120.400 0.106 0.000 2.294 1578 K HA 0.113 4.433 4.320 -0.000 0.000 0.288 1578 K C -0.306 176.211 176.600 -0.138 0.000 1.072 1578 K CA 0.187 56.438 56.287 -0.060 0.000 0.960 1578 K CB 0.075 32.528 32.500 -0.078 0.000 1.043 1578 K HN 0.224 nan 8.250 nan 0.000 0.455 1579 H N 1.892 120.780 119.070 -0.303 0.000 2.852 1579 H HA 0.026 4.582 4.556 -0.000 0.000 0.362 1579 H C -0.341 174.744 175.328 -0.406 0.000 1.122 1579 H CA -0.044 55.878 56.048 -0.210 0.000 1.419 1579 H CB 0.444 30.098 29.762 -0.179 0.000 1.401 1579 H HN 0.460 nan 8.280 nan 0.000 0.609 1580 Y N -0.030 120.376 120.300 0.176 0.000 2.638 1580 Y HA 0.268 4.818 4.550 -0.000 0.000 0.339 1580 Y C -0.648 175.442 175.900 0.317 0.000 1.084 1580 Y CA -1.249 56.963 58.100 0.186 0.000 1.068 1580 Y CB 1.330 39.803 38.460 0.021 0.000 1.294 1580 Y HN 0.345 nan 8.280 nan 0.000 0.480 1581 L N 2.151 123.641 121.223 0.445 0.000 2.325 1581 L HA 0.738 5.078 4.340 -0.000 0.000 0.278 1581 L C -1.158 175.873 176.870 0.269 0.000 1.023 1581 L CA -0.693 54.398 54.840 0.420 0.000 0.811 1581 L CB 1.205 43.473 42.059 0.348 0.000 1.249 1581 L HN 0.681 nan 8.230 nan 0.000 0.431 1582 M N 4.281 124.026 119.600 0.242 0.000 2.413 1582 M HA 0.447 4.927 4.480 -0.000 0.000 0.287 1582 M C -2.000 174.319 176.300 0.032 0.000 1.186 1582 M CA -0.342 54.993 55.300 0.057 0.000 0.927 1582 M CB 2.425 34.940 32.600 -0.141 0.000 1.715 1582 M HN 0.759 nan 8.290 nan 0.000 0.478 1583 W N 1.147 122.320 121.300 -0.212 0.000 3.296 1583 W HA 0.916 5.576 4.660 -0.000 0.000 0.314 1583 W C -1.310 174.939 176.519 -0.450 0.000 1.238 1583 W CA -0.832 56.116 57.345 -0.662 0.000 1.193 1583 W CB 0.669 29.885 29.460 -0.406 0.000 1.383 1583 W HN 0.767 nan 8.180 nan 0.000 0.545 1584 G N 1.627 110.203 108.800 -0.374 0.000 2.725 1584 G HA2 0.692 4.652 3.960 -0.000 0.000 0.288 1584 G HA3 0.692 4.652 3.960 -0.000 0.000 0.288 1584 G C -2.217 172.927 174.900 0.406 0.000 1.399 1584 G CA -1.340 44.020 45.100 0.433 0.000 0.859 1584 G HN 0.744 nan 8.290 nan 0.000 0.479 1585 L N 1.317 122.685 121.223 0.241 0.000 2.289 1585 L HA 0.197 4.537 4.340 -0.000 0.000 0.285 1585 L C 1.986 178.835 176.870 -0.036 0.000 1.049 1585 L CA -0.606 54.309 54.840 0.125 0.000 0.804 1585 L CB 1.924 44.042 42.059 0.099 0.000 1.195 1585 L HN 0.817 nan 8.230 nan 0.000 0.428 1586 S N 0.699 116.376 115.700 -0.039 0.000 2.378 1586 S HA -0.311 4.159 4.470 -0.000 0.000 0.229 1586 S C 2.015 176.517 174.600 -0.164 0.000 1.052 1586 S CA 1.742 59.838 58.200 -0.174 0.000 1.084 1586 S CB -0.756 62.536 63.200 0.153 0.000 0.950 1586 S HN 0.901 nan 8.310 nan 0.000 0.440 1587 S N 2.397 118.100 115.700 0.006 0.000 2.443 1587 S HA -0.241 4.229 4.470 -0.000 0.000 0.246 1587 S C 0.519 175.131 174.600 0.020 0.000 1.058 1587 S CA 1.681 59.910 58.200 0.048 0.000 1.028 1587 S CB -0.813 62.417 63.200 0.051 0.000 0.821 1587 S HN 0.591 nan 8.310 nan 0.000 0.484 1588 D N 0.231 120.572 120.400 -0.097 0.000 3.088 1588 D HA 0.384 5.024 4.640 -0.000 0.000 0.310 1588 D C -0.259 175.901 176.300 -0.233 0.000 1.351 1588 D CA -0.238 53.696 54.000 -0.110 0.000 0.921 1588 D CB 0.204 40.965 40.800 -0.065 0.000 1.045 1588 D HN 0.280 nan 8.370 nan 0.000 0.504 1589 F N -0.528 119.383 119.950 -0.064 0.000 2.350 1589 F HA 0.288 4.815 4.527 -0.000 0.000 0.253 1589 F C 0.710 176.532 175.800 0.037 0.000 1.088 1589 F CA 0.074 57.974 58.000 -0.166 0.000 1.037 1589 F CB 0.305 39.224 39.000 -0.136 0.000 1.107 1589 F HN 0.177 nan 8.300 nan 0.000 0.603 1590 W N 0.161 121.527 121.300 0.109 0.000 0.801 1590 W HA 0.310 4.970 4.660 -0.000 0.000 0.333 1590 W C 0.078 176.589 176.519 -0.013 0.000 1.345 1590 W CA 0.060 57.414 57.345 0.016 0.000 0.826 1590 W CB -0.702 28.743 29.460 -0.026 0.000 1.083 1590 W HN 0.622 nan 8.180 nan 0.000 0.499 1591 G N 1.125 110.053 108.800 0.212 0.000 2.516 1591 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 1591 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 1591 G C -0.343 174.565 174.900 0.013 0.000 1.165 1591 G CA 0.133 45.247 45.100 0.023 0.000 1.013 1591 G HN 0.229 nan 8.290 nan 0.000 0.590 1592 E N 0.058 120.226 120.200 -0.054 0.000 2.493 1592 E HA 0.669 5.019 4.350 -0.000 0.000 0.243 1592 E C -0.703 175.821 176.600 -0.126 0.000 0.875 1592 E CA -0.916 55.440 56.400 -0.074 0.000 0.872 1592 E CB 1.198 30.869 29.700 -0.049 0.000 1.476 1592 E HN 0.427 nan 8.360 nan 0.000 0.394 1593 K N 0.783 121.113 120.400 -0.117 0.000 2.221 1593 K HA 0.434 4.754 4.320 -0.000 0.000 0.243 1593 K C -2.452 174.095 176.600 -0.088 0.000 0.968 1593 K CA -1.488 54.721 56.287 -0.130 0.000 0.846 1593 K CB 0.583 33.000 32.500 -0.138 0.000 1.141 1593 K HN 0.186 nan 8.250 nan 0.000 0.434 1594 P HA 0.351 nan 4.420 nan 0.000 0.251 1594 P C -1.704 175.537 177.300 -0.099 0.000 1.718 1594 P CA -0.475 62.569 63.100 -0.093 0.000 1.119 1594 P CB -0.138 31.524 31.700 -0.064 0.000 1.762 1595 N N 2.019 120.638 118.700 -0.135 0.000 4.526 1595 N HA 0.426 5.166 4.740 -0.000 0.000 0.186 1595 N C -1.838 173.577 175.510 -0.158 0.000 1.053 1595 N CA -0.543 52.433 53.050 -0.123 0.000 1.091 1595 N CB 0.377 38.811 38.487 -0.088 0.000 1.605 1595 N HN 0.034 nan 8.380 nan 0.000 0.717 1596 L N 0.152 121.290 121.223 -0.143 0.000 3.133 1596 L HA 0.697 5.037 4.340 -0.000 0.000 0.289 1596 L C -0.242 176.597 176.870 -0.051 0.000 1.012 1596 L CA -0.740 54.030 54.840 -0.116 0.000 1.001 1596 L CB 0.835 42.713 42.059 -0.302 0.000 1.580 1596 L HN 0.505 nan 8.230 nan 0.000 0.373 1597 S N -2.047 113.667 115.700 0.023 0.000 3.255 1597 S HA 0.826 5.296 4.470 -0.000 0.000 0.305 1597 S C -2.037 172.369 174.600 -0.323 0.000 1.067 1597 S CA -0.358 57.830 58.200 -0.020 0.000 0.966 1597 S CB 1.177 64.511 63.200 0.225 0.000 1.366 1597 S HN 0.439 nan 8.310 nan 0.000 0.717 1598 Y N 0.646 120.791 120.300 -0.257 0.000 2.482 1598 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 1598 Y C -0.735 174.908 175.900 -0.427 0.000 1.091 1598 Y CA -0.920 56.867 58.100 -0.522 0.000 1.027 1598 Y CB 1.540 39.216 38.460 -1.305 0.000 1.306 1598 Y HN 0.489 nan 8.280 nan 0.000 0.446 1599 I N 2.697 123.205 120.570 -0.103 0.000 2.498 1599 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 1599 I C -1.058 175.102 176.117 0.071 0.000 1.032 1599 I CA -1.009 60.252 61.300 -0.066 0.000 1.073 1599 I CB 2.170 40.041 38.000 -0.215 0.000 1.251 1599 I HN 0.447 nan 8.210 nan 0.000 0.426 1600 I N 4.931 125.561 120.570 0.100 0.000 2.291 1600 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 1600 I C 0.847 176.972 176.117 0.014 0.000 1.064 1600 I CA 0.713 62.065 61.300 0.086 0.000 1.269 1600 I CB 1.183 39.212 38.000 0.048 0.000 1.418 1600 I HN 0.896 nan 8.210 nan 0.000 0.485 1601 G N 4.913 113.723 108.800 0.018 0.000 2.560 1601 G HA2 0.192 4.152 3.960 -0.000 0.000 0.212 1601 G HA3 0.192 4.152 3.960 -0.000 0.000 0.212 1601 G C 0.763 175.665 174.900 0.003 0.000 2.038 1601 G CA 0.146 45.244 45.100 -0.002 0.000 0.728 1601 G HN 0.461 nan 8.290 nan 0.000 0.784 1602 K N -1.137 119.283 120.400 0.033 0.000 2.591 1602 K HA 0.112 4.432 4.320 -0.000 0.000 0.207 1602 K C -0.054 176.607 176.600 0.100 0.000 1.711 1602 K CA 0.186 56.506 56.287 0.055 0.000 1.059 1602 K CB 0.971 33.483 32.500 0.021 0.000 1.449 1602 K HN 0.147 nan 8.250 nan 0.000 0.605 1603 D N 1.207 121.661 120.400 0.089 0.000 2.431 1603 D HA 0.054 4.694 4.640 -0.000 0.000 0.213 1603 D C -0.461 175.909 176.300 0.118 0.000 1.130 1603 D CA 0.299 54.371 54.000 0.120 0.000 0.834 1603 D CB 1.310 42.180 40.800 0.116 0.000 0.985 1603 D HN 0.027 nan 8.370 nan 0.000 0.504 1604 T N 0.567 115.160 114.554 0.065 0.000 2.744 1604 T HA 0.186 4.536 4.350 -0.000 0.000 0.291 1604 T C -0.907 173.704 174.700 -0.148 0.000 0.957 1604 T CA -0.588 61.518 62.100 0.011 0.000 1.002 1604 T CB 0.715 69.618 68.868 0.059 0.000 0.919 1604 T HN 0.046 nan 8.240 nan 0.000 0.468 1605 W N 6.693 127.614 121.300 -0.632 0.000 2.520 1605 W HA 0.635 5.294 4.660 -0.000 0.000 0.323 1605 W C -2.052 173.992 176.519 -0.792 0.000 1.062 1605 W CA -0.878 55.883 57.345 -0.975 0.000 1.215 1605 W CB 1.091 29.230 29.460 -2.202 0.000 1.340 1605 W HN 0.402 nan 8.180 nan 0.000 0.516 1606 V N 5.788 124.970 119.914 -1.220 0.000 2.891 1606 V HA 0.231 4.351 4.120 -0.000 0.000 0.304 1606 V C -0.298 175.378 176.094 -0.697 0.000 1.171 1606 V CA -0.495 61.415 62.300 -0.650 0.000 0.943 1606 V CB 1.925 33.465 31.823 -0.472 0.000 1.037 1606 V HN 0.788 nan 8.190 nan 0.000 0.427 1607 E N 1.603 121.686 120.200 -0.194 0.000 3.605 1607 E HA 0.448 4.798 4.350 -0.000 0.000 0.221 1607 E C -0.758 175.969 176.600 0.212 0.000 1.151 1607 E CA -0.152 56.217 56.400 -0.052 0.000 0.821 1607 E CB 0.986 30.753 29.700 0.111 0.000 3.186 1607 E HN 0.787 nan 8.360 nan 0.000 0.565 1608 H N -0.366 118.753 119.070 0.083 0.000 6.238 1608 H HA -0.012 4.544 4.556 -0.000 0.000 0.885 1608 H C -1.950 173.376 175.328 -0.004 0.000 1.984 1608 H CA -0.264 55.778 56.048 -0.010 0.000 1.411 1608 H CB -1.150 28.582 29.762 -0.051 0.000 4.649 1608 H HN 0.283 nan 8.280 nan 0.000 0.681 1609 W N 5.231 126.364 121.300 -0.279 0.000 1.902 1609 W HA 0.396 5.056 4.660 0.000 0.000 0.360 1609 W C -1.907 174.361 176.519 -0.418 0.000 1.414 1609 W CA -0.380 56.850 57.345 -0.191 0.000 1.457 1609 W CB -0.034 29.374 29.460 -0.087 0.000 1.279 1609 W HN 0.456 nan 8.180 nan 0.000 0.665 1610 P HA 0.294 nan 4.420 nan 0.000 0.295 1610 P C -1.138 176.127 177.300 -0.058 0.000 1.311 1610 P CA -0.824 62.261 63.100 -0.025 0.000 1.050 1610 P CB 1.874 33.616 31.700 0.070 0.000 1.488 1611 E N 0.082 120.197 120.200 -0.142 0.000 2.973 1611 E HA 0.009 4.359 4.350 -0.000 0.000 0.279 1611 E C 1.104 177.670 176.600 -0.056 0.000 1.473 1611 E CA 0.574 56.875 56.400 -0.165 0.000 1.251 1611 E CB 0.113 29.721 29.700 -0.155 0.000 1.063 1611 E HN 0.388 nan 8.360 nan 0.000 0.685 1612 E N -0.542 119.628 120.200 -0.050 0.000 2.083 1612 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 1612 E C 1.171 177.767 176.600 -0.007 0.000 0.950 1612 E CA 0.497 56.890 56.400 -0.011 0.000 0.849 1612 E CB 0.031 29.722 29.700 -0.014 0.000 0.827 1612 E HN 0.475 nan 8.360 nan 0.000 0.465 1613 D N 0.564 120.953 120.400 -0.017 0.000 2.417 1613 D HA -0.181 4.459 4.640 -0.000 0.000 0.225 1613 D C 1.291 177.585 176.300 -0.010 0.000 0.983 1613 D CA 0.982 54.975 54.000 -0.012 0.000 0.949 1613 D CB 0.141 40.931 40.800 -0.016 0.000 0.879 1613 D HN 0.252 nan 8.370 nan 0.000 0.520 1614 E N -1.981 118.212 120.200 -0.011 0.000 2.606 1614 E HA 0.045 4.395 4.350 -0.000 0.000 0.224 1614 E C 1.311 177.918 176.600 0.012 0.000 0.930 1614 E CA -0.232 56.166 56.400 -0.003 0.000 1.125 1614 E CB -0.424 29.268 29.700 -0.013 0.000 1.123 1614 E HN 0.218 nan 8.360 nan 0.000 0.522 1615 c N 1.662 120.273 118.600 0.018 0.000 2.762 1615 c HA -0.098 4.472 4.570 -0.000 0.000 0.288 1615 c C 2.741 176.851 174.090 0.034 0.000 1.272 1615 c CA 1.644 57.997 56.329 0.040 0.000 1.729 1615 c CB -0.754 41.793 42.510 0.061 0.000 2.135 1615 c HN 0.699 nan 8.230 nan 0.000 0.482 1616 Q N 0.295 120.113 119.800 0.029 0.000 2.340 1616 Q HA -0.265 4.075 4.340 -0.000 0.000 0.215 1616 Q C 0.271 176.282 176.000 0.018 0.000 0.998 1616 Q CA 1.888 57.705 55.803 0.023 0.000 0.921 1616 Q CB -1.091 27.658 28.738 0.018 0.000 0.926 1616 Q HN 0.640 nan 8.270 nan 0.000 0.426 1617 D N 2.589 122.999 120.400 0.017 0.000 2.554 1617 D HA -0.108 4.532 4.640 -0.000 0.000 0.251 1617 D C 0.835 177.143 176.300 0.013 0.000 1.213 1617 D CA 0.874 54.882 54.000 0.013 0.000 0.900 1617 D CB 0.430 41.237 40.800 0.012 0.000 1.135 1617 D HN 0.477 nan 8.370 nan 0.000 0.522 1618 E N 3.148 123.354 120.200 0.009 0.000 2.598 1618 E HA -0.448 3.902 4.350 -0.000 0.000 0.250 1618 E C 1.154 177.757 176.600 0.006 0.000 1.037 1618 E CA 1.947 58.351 56.400 0.007 0.000 1.274 1618 E CB -0.528 29.174 29.700 0.004 0.000 1.177 1618 E HN 0.618 nan 8.360 nan 0.000 0.490 1619 E N 1.558 121.760 120.200 0.004 0.000 2.024 1619 E HA -0.258 4.092 4.350 -0.000 0.000 0.236 1619 E C 1.064 177.666 176.600 0.002 0.000 0.995 1619 E CA 2.316 58.717 56.400 0.000 0.000 0.904 1619 E CB -0.477 29.222 29.700 -0.002 0.000 0.823 1619 E HN 0.673 nan 8.360 nan 0.000 0.552 1620 N N 0.852 119.557 118.700 0.008 0.000 3.210 1620 N HA 0.001 4.741 4.740 -0.000 0.000 0.314 1620 N C 0.473 175.994 175.510 0.018 0.000 1.291 1620 N CA 0.058 53.115 53.050 0.012 0.000 1.202 1620 N CB 0.459 38.962 38.487 0.026 0.000 1.475 1620 N HN 0.146 nan 8.380 nan 0.000 0.554 1621 Q N 0.657 120.465 119.800 0.013 0.000 2.311 1621 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 1621 Q C 1.735 177.745 176.000 0.016 0.000 0.954 1621 Q CA 1.100 56.913 55.803 0.017 0.000 0.885 1621 Q CB 0.229 28.974 28.738 0.013 0.000 0.963 1621 Q HN 0.646 nan 8.270 nan 0.000 0.471 1622 K N -1.174 119.231 120.400 0.007 0.000 2.262 1622 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 1622 K C 1.922 178.517 176.600 -0.007 0.000 1.058 1622 K CA 0.607 56.895 56.287 0.002 0.000 0.974 1622 K CB -0.452 32.045 32.500 -0.005 0.000 0.910 1622 K HN -0.025 nan 8.250 nan 0.000 0.484 1623 Q N 0.808 120.601 119.800 -0.011 0.000 2.224 1623 Q HA -0.239 4.101 4.340 -0.000 0.000 0.213 1623 Q C 1.310 177.278 176.000 -0.054 0.000 0.998 1623 Q CA 2.290 58.076 55.803 -0.028 0.000 0.895 1623 Q CB -0.409 28.321 28.738 -0.014 0.000 0.926 1623 Q HN 0.534 nan 8.270 nan 0.000 0.417 1624 c N -0.046 118.544 118.600 -0.016 0.000 8.126 1624 c HA -0.127 4.443 4.570 -0.000 0.000 0.276 1624 c C 2.222 176.315 174.090 0.005 0.000 1.222 1624 c CA 0.583 56.914 56.329 0.004 0.000 2.019 1624 c CB -1.153 41.405 42.510 0.080 0.000 1.781 1624 c HN 0.663 nan 8.230 nan 0.000 0.289 1625 Q N 0.025 119.852 119.800 0.046 0.000 2.689 1625 Q HA -0.423 3.917 4.340 -0.000 0.000 0.242 1625 Q C 1.485 177.513 176.000 0.047 0.000 1.516 1625 Q CA 2.736 58.568 55.803 0.048 0.000 1.021 1625 Q CB -1.076 27.679 28.738 0.028 0.000 0.880 1625 Q HN 0.771 nan 8.270 nan 0.000 0.589 1626 D N -0.143 120.265 120.400 0.014 0.000 2.162 1626 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 1626 D C 1.937 178.254 176.300 0.029 0.000 0.967 1626 D CA 0.552 54.562 54.000 0.016 0.000 0.840 1626 D CB -0.277 40.512 40.800 -0.019 0.000 0.972 1626 D HN 0.272 nan 8.370 nan 0.000 0.482 1627 L N 0.222 121.408 121.223 -0.060 0.000 2.051 1627 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 1627 L C 2.325 179.205 176.870 0.017 0.000 1.076 1627 L CA 1.801 56.536 54.840 -0.174 0.000 0.758 1627 L CB -0.686 40.996 42.059 -0.627 0.000 0.890 1627 L HN 0.192 nan 8.230 nan 0.000 0.433 1628 G N -0.956 107.909 108.800 0.110 0.000 2.480 1628 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 1628 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 1628 G C 1.288 176.298 174.900 0.183 0.000 1.200 1628 G CA 0.612 45.854 45.100 0.236 0.000 0.782 1628 G HN 0.527 nan 8.290 nan 0.000 0.554 1629 A N -0.638 122.268 122.820 0.143 0.000 2.268 1629 A HA 0.434 4.754 4.320 -0.000 0.000 0.221 1629 A C 1.453 179.150 177.584 0.187 0.000 1.287 1629 A CA 0.475 52.595 52.037 0.139 0.000 0.902 1629 A CB -0.436 18.619 19.000 0.092 0.000 0.877 1629 A HN 0.415 nan 8.150 nan 0.000 0.487 1630 F N -0.840 119.122 119.950 0.019 0.000 2.490 1630 F HA 0.105 4.632 4.527 0.000 0.000 0.280 1630 F C 1.994 177.822 175.800 0.047 0.000 1.030 1630 F CA 1.516 59.507 58.000 -0.014 0.000 1.367 1630 F CB -0.582 38.373 39.000 -0.074 0.000 1.131 1630 F HN 0.132 nan 8.300 nan 0.000 0.632 1631 T N 2.001 116.511 114.554 -0.073 0.000 2.529 1631 T HA -0.205 4.145 4.350 -0.000 0.000 0.261 1631 T C 1.346 176.023 174.700 -0.038 0.000 1.110 1631 T CA 1.939 63.981 62.100 -0.097 0.000 1.192 1631 T CB -0.654 68.311 68.868 0.161 0.000 0.864 1631 T HN 0.365 nan 8.240 nan 0.000 0.407 1632 E N 1.545 121.781 120.200 0.060 0.000 2.495 1632 E HA 0.013 4.363 4.350 -0.000 0.000 0.204 1632 E C 1.616 178.314 176.600 0.163 0.000 1.163 1632 E CA 0.249 56.693 56.400 0.073 0.000 0.922 1632 E CB -0.235 29.517 29.700 0.087 0.000 0.918 1632 E HN 0.413 nan 8.360 nan 0.000 0.537 1633 S N 0.129 115.923 115.700 0.157 0.000 2.783 1633 S HA -0.014 4.456 4.470 -0.000 0.000 0.205 1633 S C 1.645 176.351 174.600 0.177 0.000 0.910 1633 S CA 0.098 58.483 58.200 0.307 0.000 0.861 1633 S CB 0.023 63.348 63.200 0.208 0.000 0.830 1633 S HN 0.037 nan 8.310 nan 0.000 0.630 1634 M N 2.190 121.780 119.600 -0.018 0.000 2.471 1634 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 1634 M C 2.078 178.355 176.300 -0.039 0.000 1.065 1634 M CA 1.943 57.190 55.300 -0.088 0.000 1.075 1634 M CB -1.503 30.902 32.600 -0.326 0.000 1.258 1634 M HN 0.305 nan 8.290 nan 0.000 0.457 1635 V N -1.013 118.859 119.914 -0.070 0.000 2.240 1635 V HA -0.405 3.715 4.120 -0.000 0.000 0.257 1635 V C 2.093 178.157 176.094 -0.051 0.000 1.067 1635 V CA 2.443 64.713 62.300 -0.050 0.000 1.067 1635 V CB -1.065 30.728 31.823 -0.050 0.000 0.683 1635 V HN 0.422 nan 8.190 nan 0.000 0.461 1636 V N -1.572 118.290 119.914 -0.087 0.000 2.450 1636 V HA -0.013 4.107 4.120 -0.000 0.000 0.222 1636 V C 1.806 177.834 176.094 -0.110 0.000 1.102 1636 V CA 1.644 63.839 62.300 -0.176 0.000 1.102 1636 V CB -0.886 30.705 31.823 -0.386 0.000 0.715 1636 V HN 0.403 nan 8.190 nan 0.000 0.491 1637 F N 1.227 121.167 119.950 -0.016 0.000 2.064 1637 F HA -0.100 4.427 4.527 0.000 0.000 0.293 1637 F C 1.766 177.556 175.800 -0.017 0.000 1.086 1637 F CA 2.268 60.260 58.000 -0.014 0.000 1.242 1637 F CB -1.024 37.969 39.000 -0.011 0.000 0.970 1637 F HN 0.569 nan 8.300 nan 0.000 0.494 1638 G N -1.741 107.161 108.800 0.170 0.000 2.456 1638 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.204 1638 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.204 1638 G C -1.375 173.557 174.900 0.053 0.000 1.193 1638 G CA -0.486 44.660 45.100 0.076 0.000 1.220 1638 G HN 0.369 nan 8.290 nan 0.000 0.565 1639 c N 2.899 121.515 118.600 0.026 0.000 2.251 1639 c HA 0.646 5.216 4.570 -0.000 0.000 0.323 1639 c C -1.338 172.750 174.090 -0.003 0.000 1.241 1639 c CA -0.872 55.456 56.329 -0.003 0.000 1.601 1639 c CB 0.907 43.403 42.510 -0.024 0.000 2.251 1639 c HN 0.488 nan 8.230 nan 0.000 0.488 1640 P HA -0.016 nan 4.420 nan 0.000 0.301 1640 P C -0.027 177.256 177.300 -0.028 0.000 1.445 1640 P CA 1.218 64.300 63.100 -0.031 0.000 0.741 1640 P CB -0.339 31.322 31.700 -0.065 0.000 1.426 1641 N N 0.000 118.689 118.700 -0.018 0.000 1.763 1641 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1641 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 1641 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667