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_C 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 cXXXXXXDKV 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 0.000 174.157 174.090 0.111 0.000 1.270 1336 c CA 0.000 56.398 56.329 0.114 0.000 1.963 1336 c CB 0.000 42.575 42.510 0.109 0.000 2.134 1337 N N 1.083 119.833 118.700 0.083 0.000 2.282 1337 N HA -0.355 4.391 4.740 0.010 0.000 0.222 1337 N C 0.377 175.894 175.510 0.012 0.000 0.937 1337 N CA 2.740 55.814 53.050 0.041 0.000 2.775 1337 N CB -1.309 37.195 38.487 0.028 0.000 0.817 1337 N HN 0.687 nan 8.380 nan 0.000 0.463 1338 K N -1.186 119.253 120.400 0.064 0.000 2.228 1338 K HA 0.318 4.644 4.320 0.010 0.000 0.202 1338 K C -0.330 176.203 176.600 -0.112 0.000 1.051 1338 K CA 0.994 57.273 56.287 -0.013 0.000 0.960 1338 K CB 0.060 32.650 32.500 0.150 0.000 0.743 1338 K HN 0.316 nan 8.250 nan 0.000 0.458 1339 F N 0.221 120.266 119.950 0.157 0.000 2.577 1339 F HA 0.296 4.833 4.527 0.017 0.000 0.318 1339 F C -0.400 175.457 175.800 0.095 0.000 1.065 1339 F CA -1.264 56.837 58.000 0.169 0.000 0.929 1339 F CB 1.713 40.805 39.000 0.155 0.000 1.237 1339 F HN -0.216 nan 8.300 nan 0.000 0.468 1340 D N 1.786 122.351 120.400 0.276 0.000 2.181 1340 D HA 0.577 5.223 4.640 0.010 0.000 0.248 1340 D C -1.334 175.059 176.300 0.154 0.000 1.020 1340 D CA -0.157 53.942 54.000 0.165 0.000 0.891 1340 D CB 2.193 43.057 40.800 0.107 0.000 1.187 1340 D HN 0.242 nan 8.370 nan 0.000 0.443 1341 L N 1.974 123.257 121.223 0.101 0.000 2.555 1341 L HA 0.318 4.664 4.340 0.010 0.000 0.264 1341 L C -1.443 175.454 176.870 0.045 0.000 0.972 1341 L CA -0.497 54.383 54.840 0.066 0.000 0.876 1341 L CB 1.319 43.411 42.059 0.054 0.000 1.216 1341 L HN 0.113 nan 8.230 nan 0.000 0.415 1342 K N 3.387 123.803 120.400 0.026 0.000 2.367 1342 K HA 0.687 5.013 4.320 0.010 0.000 0.263 1342 K C -1.148 175.443 176.600 -0.014 0.000 1.000 1342 K CA -0.282 56.013 56.287 0.013 0.000 0.891 1342 K CB 1.947 34.451 32.500 0.007 0.000 1.117 1342 K HN 0.281 nan 8.250 nan 0.000 0.443 1343 V N 3.643 123.553 119.914 -0.006 0.000 2.293 1343 V HA 0.247 4.373 4.120 0.010 0.000 0.275 1343 V C -0.471 175.579 176.094 -0.072 0.000 1.021 1343 V CA -0.846 61.425 62.300 -0.047 0.000 0.815 1343 V CB 1.046 32.883 31.823 0.023 0.000 1.025 1343 V HN 0.767 nan 8.190 nan 0.000 0.448 1344 T N 4.568 119.044 114.554 -0.132 0.000 2.747 1344 T HA 0.482 4.839 4.350 0.010 0.000 0.301 1344 T C -0.211 174.364 174.700 -0.209 0.000 0.952 1344 T CA -0.190 61.834 62.100 -0.127 0.000 0.983 1344 T CB 1.077 69.880 68.868 -0.109 0.000 0.930 1344 T HN 0.316 nan 8.240 nan 0.000 0.494 1345 I N 4.234 124.701 120.570 -0.172 0.000 2.313 1345 I HA 0.292 4.469 4.170 0.010 0.000 0.286 1345 I C -0.173 175.869 176.117 -0.125 0.000 1.091 1345 I CA -0.936 60.232 61.300 -0.219 0.000 1.216 1345 I CB -0.386 37.508 38.000 -0.177 0.000 1.434 1345 I HN 0.469 nan 8.210 nan 0.000 0.487 1346 K N 7.298 127.619 120.400 -0.132 0.000 2.156 1346 K HA 0.635 4.961 4.320 0.010 0.000 0.250 1346 K C -2.614 173.941 176.600 -0.075 0.000 0.955 1346 K CA -1.812 54.424 56.287 -0.085 0.000 0.855 1346 K CB 0.950 33.401 32.500 -0.082 0.000 1.101 1346 K HN 0.189 nan 8.250 nan 0.000 0.434 1347 P HA 0.108 nan 4.420 nan 0.000 0.278 1347 P C -1.154 176.119 177.300 -0.044 0.000 1.238 1347 P CA -0.335 62.744 63.100 -0.036 0.000 0.794 1347 P CB 0.980 32.669 31.700 -0.018 0.000 0.955 1348 A N 3.594 126.386 122.820 -0.047 0.000 2.279 1348 A HA 0.695 5.021 4.320 0.010 0.000 0.303 1348 A C -1.895 175.672 177.584 -0.029 0.000 1.108 1348 A CA -0.978 51.031 52.037 -0.046 0.000 0.830 1348 A CB -0.864 18.102 19.000 -0.057 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 -0.483 176.811 177.300 -0.010 0.000 1.296 1349 P CA -0.215 62.875 63.100 -0.015 0.000 0.811 1349 P CB 0.985 32.676 31.700 -0.015 0.000 1.211 1359 K N -0.517 119.886 120.400 0.004 0.000 3.547 1359 K HA -0.235 4.091 4.320 0.010 0.000 0.309 1359 K C 0.582 177.177 176.600 -0.009 0.000 1.324 1359 K CA 1.646 57.931 56.287 -0.002 0.000 0.988 1359 K CB -1.410 31.089 32.500 -0.002 0.000 1.261 1359 K HN 0.741 nan 8.250 nan 0.000 0.444 1360 N N -0.298 118.390 118.700 -0.020 0.000 2.474 1360 N HA -0.037 4.709 4.740 0.010 0.000 0.224 1360 N C 0.426 175.921 175.510 -0.026 0.000 1.092 1360 N CA 0.815 53.844 53.050 -0.034 0.000 0.844 1360 N CB 0.080 38.506 38.487 -0.101 0.000 1.381 1360 N HN 0.124 nan 8.380 nan 0.000 0.458 1361 T N 1.502 116.024 114.554 -0.053 0.000 2.946 1361 T HA 0.317 4.673 4.350 0.010 0.000 0.312 1361 T C 0.354 175.014 174.700 -0.067 0.000 1.066 1361 T CA 0.078 62.120 62.100 -0.096 0.000 1.138 1361 T CB -0.054 68.724 68.868 -0.150 0.000 1.014 1361 T HN 0.331 nan 8.240 nan 0.000 0.544 1362 M N 3.182 122.744 119.600 -0.062 0.000 2.948 1362 M HA 0.600 5.086 4.480 0.010 0.000 0.278 1362 M C -1.312 174.915 176.300 -0.122 0.000 1.293 1362 M CA -1.254 54.009 55.300 -0.062 0.000 0.777 1362 M CB 1.834 34.429 32.600 -0.008 0.000 1.713 1362 M HN 0.333 nan 8.290 nan 0.000 0.444 1363 I N 2.083 122.566 120.570 -0.145 0.000 2.389 1363 I HA 0.398 4.574 4.170 0.010 0.000 0.288 1363 I C -1.390 174.539 176.117 -0.314 0.000 0.999 1363 I CA -0.925 60.253 61.300 -0.205 0.000 1.129 1363 I CB 2.007 39.907 38.000 -0.166 0.000 1.288 1363 I HN 0.439 nan 8.210 nan 0.000 0.444 1364 L N 7.200 128.129 121.223 -0.490 0.000 2.275 1364 L HA 0.425 4.771 4.340 0.010 0.000 0.288 1364 L C -0.261 176.214 176.870 -0.658 0.000 1.046 1364 L CA 0.197 54.627 54.840 -0.683 0.000 0.805 1364 L CB 0.995 42.502 42.059 -0.921 0.000 1.193 1364 L HN 0.580 nan 8.230 nan 0.000 0.426 1365 E N 5.141 125.065 120.200 -0.460 0.000 2.210 1365 E HA 0.501 4.857 4.350 0.010 0.000 0.266 1365 E C -1.413 175.033 176.600 -0.258 0.000 0.883 1365 E CA -0.556 55.649 56.400 -0.325 0.000 0.761 1365 E CB 1.381 30.953 29.700 -0.213 0.000 1.156 1365 E HN 0.623 nan 8.360 nan 0.000 0.412 1366 I N 4.001 124.449 120.570 -0.203 0.000 2.418 1366 I HA 0.355 4.531 4.170 0.010 0.000 0.287 1366 I C -0.864 175.211 176.117 -0.070 0.000 1.008 1366 I CA -0.812 60.411 61.300 -0.128 0.000 1.104 1366 I CB 1.612 39.544 38.000 -0.113 0.000 1.264 1366 I HN 0.512 nan 8.210 nan 0.000 0.438 1367 c N 4.094 122.670 118.600 -0.041 0.000 2.340 1367 c HA 0.687 5.263 4.570 0.010 0.000 0.323 1367 c C 0.325 174.430 174.090 0.026 0.000 1.260 1367 c CA -0.392 55.931 56.329 -0.009 0.000 1.464 1367 c CB 1.447 43.950 42.510 -0.012 0.000 2.156 1367 c HN 0.749 nan 8.230 nan 0.000 0.476 1368 T N 3.123 117.709 114.554 0.053 0.000 2.900 1368 T HA 0.706 5.062 4.350 0.010 0.000 0.295 1368 T C -1.045 173.741 174.700 0.144 0.000 1.044 1368 T CA -0.449 61.721 62.100 0.117 0.000 0.995 1368 T CB 1.195 70.144 68.868 0.135 0.000 1.072 1368 T HN 0.827 nan 8.240 nan 0.000 0.473 1369 R N 2.086 122.700 120.500 0.190 0.000 2.725 1369 R HA 0.513 4.859 4.340 0.010 0.000 0.277 1369 R C -1.987 174.438 176.300 0.208 0.000 0.987 1369 R CA -0.741 55.458 56.100 0.164 0.000 0.901 1369 R CB 1.477 31.827 30.300 0.083 0.000 1.207 1369 R HN 0.622 nan 8.270 nan 0.000 0.463 1370 Y N 2.508 122.796 120.300 -0.020 0.000 2.320 1370 Y HA 0.377 4.937 4.550 0.016 0.000 0.334 1370 Y C -0.436 175.390 175.900 -0.124 0.000 1.055 1370 Y CA -0.868 57.092 58.100 -0.233 0.000 1.143 1370 Y CB 1.101 39.423 38.460 -0.230 0.000 1.193 1370 Y HN 0.450 nan 8.280 nan 0.000 0.477 1371 R N 4.555 124.713 120.500 -0.571 0.000 2.419 1371 R HA 0.519 4.865 4.340 0.010 0.000 0.305 1371 R C -0.187 175.679 176.300 -0.722 0.000 1.242 1371 R CA 0.050 55.874 56.100 -0.459 0.000 1.105 1371 R CB -0.138 29.999 30.300 -0.270 0.000 1.116 1371 R HN 0.925 nan 8.270 nan 0.000 0.523 1372 G N 0.530 109.014 108.800 -0.525 0.000 2.488 1372 G HA2 0.016 3.982 3.960 0.010 0.000 0.301 1372 G HA3 0.016 3.982 3.960 0.010 0.000 0.301 1372 G C -0.642 174.098 174.900 -0.266 0.000 1.339 1372 G CA -0.566 44.269 45.100 -0.442 0.000 0.803 1372 G HN 0.243 nan 8.290 nan 0.000 0.482 1373 D N -0.304 119.936 120.400 -0.267 0.000 2.201 1373 D HA 0.100 4.746 4.640 0.010 0.000 0.209 1373 D C 0.806 176.709 176.300 -0.662 0.000 0.961 1373 D CA 1.020 54.768 54.000 -0.420 0.000 0.861 1373 D CB 0.270 40.937 40.800 -0.222 0.000 0.997 1373 D HN 0.296 nan 8.370 nan 0.000 0.486 1374 Q N 1.015 120.670 119.800 -0.241 0.000 2.204 1374 Q HA 0.295 4.642 4.340 0.010 0.000 0.254 1374 Q C -0.597 175.521 176.000 0.196 0.000 0.981 1374 Q CA -0.574 55.198 55.803 -0.052 0.000 0.897 1374 Q CB 0.723 29.485 28.738 0.039 0.000 1.273 1374 Q HN -0.044 nan 8.270 nan 0.000 0.464 1375 D N 0.865 121.436 120.400 0.286 0.000 2.424 1375 D HA 0.292 4.938 4.640 0.010 0.000 0.244 1375 D C -0.048 176.365 176.300 0.188 0.000 1.134 1375 D CA 0.154 54.328 54.000 0.289 0.000 0.881 1375 D CB 0.609 41.533 40.800 0.206 0.000 1.191 1375 D HN 0.572 nan 8.370 nan 0.000 0.445 1376 A N 2.260 125.122 122.820 0.069 0.000 2.475 1376 A HA 0.383 4.709 4.320 0.010 0.000 0.239 1376 A C 0.949 178.556 177.584 0.039 0.000 1.087 1376 A CA -0.095 51.839 52.037 -0.173 0.000 0.779 1376 A CB -0.083 18.593 19.000 -0.541 0.000 1.036 1376 A HN 0.631 nan 8.150 nan 0.000 0.506 1377 T N -0.738 113.884 114.554 0.114 0.000 2.867 1377 T HA 0.521 4.877 4.350 0.010 0.000 0.286 1377 T C 0.573 175.365 174.700 0.155 0.000 1.022 1377 T CA -0.635 61.559 62.100 0.156 0.000 0.933 1377 T CB 0.023 69.032 68.868 0.236 0.000 1.280 1377 T HN 0.587 nan 8.240 nan 0.000 0.566 1378 M N 1.714 121.391 119.600 0.129 0.000 2.187 1378 M HA -0.038 4.448 4.480 0.010 0.000 0.448 1378 M C -0.330 176.056 176.300 0.144 0.000 1.308 1378 M CA 1.070 56.429 55.300 0.098 0.000 0.727 1378 M CB -0.552 32.036 32.600 -0.020 0.000 1.947 1378 M HN 0.715 nan 8.290 nan 0.000 0.535 1379 S N 3.411 119.154 115.700 0.072 0.000 2.564 1379 S HA 0.726 5.202 4.470 0.010 0.000 0.274 1379 S C -1.109 173.409 174.600 -0.137 0.000 1.124 1379 S CA -0.811 57.362 58.200 -0.045 0.000 0.869 1379 S CB 1.570 64.723 63.200 -0.078 0.000 1.105 1379 S HN 0.474 nan 8.310 nan 0.000 0.472 1380 I N 1.915 122.232 120.570 -0.423 0.000 2.359 1380 I HA 0.415 4.591 4.170 0.010 0.000 0.294 1380 I C -0.839 174.918 176.117 -0.600 0.000 0.987 1380 I CA -0.154 60.818 61.300 -0.546 0.000 1.225 1380 I CB 1.090 38.542 38.000 -0.913 0.000 1.366 1380 I HN 0.451 nan 8.210 nan 0.000 0.466 1381 L N 5.926 126.899 121.223 -0.417 0.000 2.277 1381 L HA 0.356 4.702 4.340 0.010 0.000 0.284 1381 L C -0.651 176.063 176.870 -0.261 0.000 1.028 1381 L CA -0.417 54.240 54.840 -0.306 0.000 0.835 1381 L CB 0.849 42.795 42.059 -0.189 0.000 1.215 1381 L HN 0.469 nan 8.230 nan 0.000 0.425 1382 D N 5.250 125.528 120.400 -0.203 0.000 2.485 1382 D HA 0.365 5.011 4.640 0.010 0.000 0.221 1382 D C -0.265 176.000 176.300 -0.058 0.000 1.112 1382 D CA -0.165 53.767 54.000 -0.114 0.000 0.911 1382 D CB 0.514 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 1.505 122.056 120.570 -0.031 0.000 2.566 1383 I HA 0.354 4.530 4.170 0.010 0.000 0.303 1383 I C 0.538 176.686 176.117 0.052 0.000 0.983 1383 I CA -0.637 60.687 61.300 0.040 0.000 1.235 1383 I CB 1.680 39.746 38.000 0.110 0.000 1.386 1383 I HN 0.293 nan 8.210 nan 0.000 0.494 1384 S N 5.002 120.750 115.700 0.080 0.000 2.549 1384 S HA 0.646 5.122 4.470 0.010 0.000 0.280 1384 S C -0.699 173.966 174.600 0.108 0.000 1.109 1384 S CA -1.067 57.175 58.200 0.070 0.000 0.905 1384 S CB 1.857 65.069 63.200 0.020 0.000 1.081 1384 S HN 0.323 nan 8.310 nan 0.000 0.477 1385 M N 2.364 122.036 119.600 0.121 0.000 2.255 1385 M HA 0.387 4.873 4.480 0.010 0.000 0.336 1385 M C 0.097 176.419 176.300 0.036 0.000 1.135 1385 M CA -0.368 55.021 55.300 0.148 0.000 1.145 1385 M CB 0.556 33.276 32.600 0.200 0.000 1.473 1385 M HN 0.760 nan 8.290 nan 0.000 0.462 1386 M N 1.158 120.718 119.600 -0.065 0.000 2.200 1386 M HA 0.137 4.623 4.480 0.010 0.000 0.355 1386 M C 0.717 177.057 176.300 0.067 0.000 1.283 1386 M CA -0.402 54.796 55.300 -0.170 0.000 1.124 1386 M CB -0.050 32.227 32.600 -0.539 0.000 1.625 1386 M HN 0.766 nan 8.290 nan 0.000 0.463 1387 T N 0.815 115.424 114.554 0.091 0.000 2.709 1387 T HA 0.209 4.565 4.350 0.010 0.000 0.269 1387 T C 1.133 175.996 174.700 0.272 0.000 1.008 1387 T CA 0.830 63.038 62.100 0.180 0.000 1.194 1387 T CB -0.210 68.752 68.868 0.158 0.000 0.986 1387 T HN 1.048 nan 8.240 nan 0.000 0.508 1388 G N 2.981 111.926 108.800 0.242 0.000 2.255 1388 G HA2 -0.105 3.861 3.960 0.010 0.000 0.196 1388 G HA3 -0.105 3.861 3.960 0.010 0.000 0.196 1388 G C -0.060 174.675 174.900 -0.274 0.000 0.998 1388 G CA -0.285 44.840 45.100 0.042 0.000 0.656 1388 G HN 0.728 nan 8.290 nan 0.000 0.490 1389 F N 0.938 120.758 119.950 -0.216 0.000 2.594 1389 F HA 0.828 5.361 4.527 0.011 0.000 0.335 1389 F C 0.498 176.295 175.800 -0.005 0.000 1.058 1389 F CA -0.570 57.348 58.000 -0.138 0.000 0.981 1389 F CB 2.388 41.379 39.000 -0.016 0.000 1.289 1389 F HN 0.517 nan 8.300 nan 0.000 0.490 1390 A N 1.377 124.350 122.820 0.254 0.000 2.582 1390 A HA 0.614 4.940 4.320 0.010 0.000 0.297 1390 A C -3.108 174.474 177.584 -0.004 0.000 1.059 1390 A CA -1.578 50.601 52.037 0.237 0.000 0.705 1390 A CB 0.979 20.297 19.000 0.530 0.000 1.279 1390 A HN 0.326 nan 8.150 nan 0.000 0.404 1391 P HA 0.079 nan 4.420 nan 0.000 0.264 1391 P C -0.613 176.596 177.300 -0.152 0.000 1.179 1391 P CA 0.429 63.471 63.100 -0.097 0.000 0.763 1391 P CB 0.423 31.895 31.700 -0.380 0.000 0.806 1392 D N 1.341 121.748 120.400 0.011 0.000 2.401 1392 D HA -0.004 4.643 4.640 0.010 0.000 0.254 1392 D C 1.017 177.305 176.300 -0.020 0.000 1.192 1392 D CA 0.321 54.341 54.000 0.033 0.000 0.885 1392 D CB 0.519 41.496 40.800 0.295 0.000 1.147 1392 D HN 0.307 nan 8.370 nan 0.000 0.478 1393 T N 1.149 115.697 114.554 -0.010 0.000 2.643 1393 T HA -0.200 4.156 4.350 0.010 0.000 0.264 1393 T C 1.263 175.964 174.700 0.002 0.000 1.045 1393 T CA 1.104 63.206 62.100 0.004 0.000 1.155 1393 T CB -0.292 68.609 68.868 0.055 0.000 0.863 1393 T HN 0.497 nan 8.240 nan 0.000 0.420 1394 D N 2.033 122.446 120.400 0.022 0.000 2.254 1394 D HA -0.183 4.463 4.640 0.010 0.000 0.201 1394 D C 1.469 177.783 176.300 0.024 0.000 0.998 1394 D CA 1.672 55.686 54.000 0.023 0.000 0.885 1394 D CB -0.406 40.413 40.800 0.032 0.000 0.915 1394 D HN 0.483 nan 8.370 nan 0.000 0.460 1395 D N 0.599 121.017 120.400 0.031 0.000 2.110 1395 D HA 0.001 4.647 4.640 0.010 0.000 0.202 1395 D C 2.341 178.646 176.300 0.008 0.000 0.975 1395 D CA 0.191 54.217 54.000 0.043 0.000 0.839 1395 D CB -0.390 40.466 40.800 0.094 0.000 0.996 1395 D HN 0.124 nan 8.370 nan 0.000 0.464 1396 L N 0.375 121.566 121.223 -0.053 0.000 2.043 1396 L HA -0.239 4.108 4.340 0.010 0.000 0.212 1396 L C 2.137 178.971 176.870 -0.060 0.000 1.075 1396 L CA 1.287 56.060 54.840 -0.111 0.000 0.752 1396 L CB -0.217 41.731 42.059 -0.185 0.000 0.891 1396 L HN -0.002 nan 8.230 nan 0.000 0.432 1397 K N -0.417 119.963 120.400 -0.034 0.000 1.978 1397 K HA -0.269 4.057 4.320 0.010 0.000 0.214 1397 K C 1.925 178.525 176.600 -0.000 0.000 1.049 1397 K CA 1.575 57.852 56.287 -0.016 0.000 0.939 1397 K CB -0.375 32.123 32.500 -0.004 0.000 0.721 1397 K HN 0.057 nan 8.250 nan 0.000 0.441 1398 Q N 0.999 120.805 119.800 0.009 0.000 2.066 1398 Q HA -0.274 4.072 4.340 0.010 0.000 0.216 1398 Q C 1.804 177.818 176.000 0.023 0.000 1.035 1398 Q CA 2.348 58.163 55.803 0.020 0.000 0.897 1398 Q CB -0.719 28.035 28.738 0.027 0.000 1.010 1398 Q HN 0.338 nan 8.270 nan 0.000 0.416 1399 L N -0.609 120.628 121.223 0.022 0.000 1.978 1399 L HA -0.296 4.050 4.340 0.010 0.000 0.218 1399 L C 2.458 179.345 176.870 0.027 0.000 1.075 1399 L CA 1.599 56.456 54.840 0.027 0.000 0.767 1399 L CB -0.865 41.208 42.059 0.024 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 0.009 0.000 2.019 1400 A HA -0.202 4.125 4.320 0.010 0.000 0.219 1400 A C 1.992 179.616 177.584 0.068 0.000 1.164 1400 A CA 1.732 53.785 52.037 0.025 0.000 0.644 1400 A CB -0.682 18.302 19.000 -0.027 0.000 0.805 1400 A HN 0.551 nan 8.150 nan 0.000 0.449 1401 N N 0.412 119.141 118.700 0.047 0.000 2.244 1401 N HA -0.079 4.667 4.740 0.010 0.000 0.183 1401 N C 1.198 176.739 175.510 0.052 0.000 1.016 1401 N CA 0.812 53.891 53.050 0.049 0.000 0.866 1401 N CB -0.329 38.179 38.487 0.034 0.000 0.980 1401 N HN 0.480 nan 8.380 nan 0.000 0.430 1402 G N 1.255 110.084 108.800 0.050 0.000 2.630 1402 G HA2 0.188 4.154 3.960 0.010 0.000 0.236 1402 G HA3 0.188 4.154 3.960 0.010 0.000 0.236 1402 G C -0.044 174.892 174.900 0.060 0.000 1.248 1402 G CA -0.266 44.863 45.100 0.049 0.000 0.844 1402 G HN 0.024 nan 8.290 nan 0.000 0.588 1403 V N 1.062 121.005 119.914 0.050 0.000 2.973 1403 V HA 0.452 4.578 4.120 0.010 0.000 0.314 1403 V C 0.815 176.941 176.094 0.054 0.000 1.066 1403 V CA 0.584 62.914 62.300 0.050 0.000 1.021 1403 V CB 1.428 33.272 31.823 0.036 0.000 1.076 1403 V HN 1.008 nan 8.190 nan 0.000 0.462 1404 D N 1.097 121.530 120.400 0.056 0.000 2.495 1404 D HA -0.148 4.498 4.640 0.010 0.000 0.175 1404 D C 0.338 176.687 176.300 0.082 0.000 1.040 1404 D CA 1.652 55.688 54.000 0.060 0.000 1.049 1404 D CB -0.583 40.248 40.800 0.051 0.000 1.105 1404 D HN 0.713 nan 8.370 nan 0.000 0.457 1405 R N -0.471 120.088 120.500 0.098 0.000 2.837 1405 R HA 0.704 5.050 4.340 0.010 0.000 0.271 1405 R C -1.018 175.407 176.300 0.208 0.000 0.993 1405 R CA -0.883 55.294 56.100 0.129 0.000 0.931 1405 R CB 2.733 33.081 30.300 0.080 0.000 1.206 1405 R HN 0.166 nan 8.270 nan 0.000 0.474 1406 Y N 1.069 121.413 120.300 0.073 0.000 2.521 1406 Y HA 0.521 5.077 4.550 0.010 0.000 0.328 1406 Y C -2.012 173.965 175.900 0.129 0.000 1.151 1406 Y CA -0.840 57.311 58.100 0.084 0.000 1.054 1406 Y CB 1.476 39.981 38.460 0.076 0.000 1.338 1406 Y HN 0.527 nan 8.280 nan 0.000 0.453 1407 I N 4.512 124.652 120.570 -0.717 0.000 2.608 1407 I HA 0.430 4.606 4.170 0.010 0.000 0.295 1407 I C -0.162 175.373 176.117 -0.970 0.000 1.049 1407 I CA -1.252 59.589 61.300 -0.766 0.000 1.063 1407 I CB 2.270 40.079 38.000 -0.319 0.000 1.248 1407 I HN 0.768 nan 8.210 nan 0.000 0.424 1408 S N 4.870 120.175 115.700 -0.659 0.000 2.560 1408 S HA 0.053 4.529 4.470 0.010 0.000 0.284 1408 S C 1.067 175.679 174.600 0.019 0.000 1.327 1408 S CA -0.145 57.990 58.200 -0.108 0.000 1.055 1408 S CB 1.111 64.419 63.200 0.181 0.000 0.868 1408 S HN 0.835 nan 8.310 nan 0.000 0.506 1409 K N 2.406 122.882 120.400 0.126 0.000 2.000 1409 K HA -0.283 4.043 4.320 0.010 0.000 0.218 1409 K C 1.782 178.434 176.600 0.087 0.000 1.053 1409 K CA 2.307 58.646 56.287 0.086 0.000 0.946 1409 K CB -0.722 31.838 32.500 0.100 0.000 0.723 1409 K HN 0.869 nan 8.250 nan 0.000 0.446 1410 Y N 1.212 121.528 120.300 0.028 0.000 2.170 1410 Y HA -0.386 4.170 4.550 0.010 0.000 0.274 1410 Y C 2.072 177.974 175.900 0.004 0.000 1.253 1410 Y CA 2.508 60.621 58.100 0.021 0.000 1.133 1410 Y CB -0.162 38.320 38.460 0.038 0.000 0.941 1410 Y HN 0.326 nan 8.280 nan 0.000 0.518 1411 E N -0.672 119.621 120.200 0.155 0.000 2.170 1411 E HA -0.048 4.309 4.350 0.010 0.000 0.191 1411 E C 1.814 178.383 176.600 -0.052 0.000 0.981 1411 E CA 0.761 57.196 56.400 0.058 0.000 0.830 1411 E CB -0.279 29.471 29.700 0.084 0.000 0.775 1411 E HN 0.396 nan 8.360 nan 0.000 0.470 1412 L N 1.190 122.382 121.223 -0.051 0.000 1.989 1412 L HA -0.180 4.166 4.340 0.010 0.000 0.211 1412 L C 1.561 178.390 176.870 -0.068 0.000 1.071 1412 L CA 2.015 56.821 54.840 -0.057 0.000 0.749 1412 L CB -1.007 41.027 42.059 -0.042 0.000 0.890 1412 L HN 0.159 nan 8.230 nan 0.000 0.431 1413 D N -0.297 120.048 120.400 -0.092 0.000 2.133 1413 D HA -0.167 4.479 4.640 0.010 0.000 0.195 1413 D C 0.809 177.036 176.300 -0.123 0.000 0.997 1413 D CA 1.014 54.951 54.000 -0.105 0.000 0.840 1413 D CB -0.425 40.299 40.800 -0.127 0.000 0.947 1413 D HN 0.423 nan 8.370 nan 0.000 0.452 1414 K N 0.919 121.217 120.400 -0.169 0.000 2.494 1414 K HA 0.293 4.619 4.320 0.010 0.000 0.273 1414 K C 0.002 176.552 176.600 -0.083 0.000 0.970 1414 K CA -0.198 56.003 56.287 -0.144 0.000 0.963 1414 K CB 0.345 32.754 32.500 -0.152 0.000 0.913 1414 K HN -0.008 nan 8.250 nan 0.000 0.502 1415 A N 2.614 125.377 122.820 -0.096 0.000 2.401 1415 A HA 0.181 4.507 4.320 0.010 0.000 0.259 1415 A C 0.906 178.452 177.584 -0.063 0.000 1.103 1415 A CA -0.718 51.252 52.037 -0.112 0.000 0.789 1415 A CB -0.416 18.472 19.000 -0.186 0.000 1.035 1415 A HN 0.936 nan 8.150 nan 0.000 0.491 1416 F N 2.635 122.549 119.950 -0.059 0.000 2.111 1416 F HA -0.266 4.267 4.527 0.011 0.000 0.300 1416 F C 2.143 177.957 175.800 0.023 0.000 1.088 1416 F CA 1.991 59.981 58.000 -0.016 0.000 1.243 1416 F CB -0.336 38.663 39.000 -0.002 0.000 0.996 1416 F HN 0.498 nan 8.300 nan 0.000 0.483 1417 S N -0.436 115.081 115.700 -0.306 0.000 2.423 1417 S HA -0.279 4.197 4.470 0.010 0.000 0.238 1417 S C 1.599 176.192 174.600 -0.011 0.000 1.028 1417 S CA 1.855 59.889 58.200 -0.278 0.000 1.000 1417 S CB -0.846 61.929 63.200 -0.709 0.000 0.797 1417 S HN 0.668 nan 8.310 nan 0.000 0.487 1418 D N 0.171 120.567 120.400 -0.006 0.000 2.368 1418 D HA 0.162 4.808 4.640 0.010 0.000 0.218 1418 D C 0.445 176.786 176.300 0.069 0.000 1.112 1418 D CA -0.013 53.990 54.000 0.006 0.000 0.834 1418 D CB 0.141 40.910 40.800 -0.050 0.000 0.953 1418 D HN 0.291 nan 8.370 nan 0.000 0.505 1419 R N 1.470 122.053 120.500 0.138 0.000 3.057 1419 R HA 0.092 4.438 4.340 0.010 0.000 0.291 1419 R C 0.992 177.381 176.300 0.148 0.000 1.394 1419 R CA -0.188 55.986 56.100 0.122 0.000 1.630 1419 R CB 0.008 30.368 30.300 0.101 0.000 1.268 1419 R HN 0.037 nan 8.270 nan 0.000 0.621 1420 N N -0.537 118.250 118.700 0.145 0.000 2.422 1420 N HA -0.066 4.680 4.740 0.010 0.000 0.181 1420 N C 0.344 175.919 175.510 0.108 0.000 1.080 1420 N CA 0.297 53.437 53.050 0.150 0.000 0.893 1420 N CB 0.503 39.083 38.487 0.156 0.000 0.973 1420 N HN 0.274 nan 8.380 nan 0.000 0.456 1421 T N -1.677 112.928 114.554 0.084 0.000 2.864 1421 T HA 0.689 5.045 4.350 0.010 0.000 0.289 1421 T C -1.022 173.701 174.700 0.038 0.000 1.082 1421 T CA -0.786 61.349 62.100 0.058 0.000 1.009 1421 T CB 1.810 70.707 68.868 0.048 0.000 1.234 1421 T HN 0.196 nan 8.240 nan 0.000 0.526 1422 L N 0.057 121.283 121.223 0.004 0.000 3.077 1422 L HA 0.628 4.974 4.340 0.010 0.000 0.254 1422 L C -2.345 174.464 176.870 -0.102 0.000 0.959 1422 L CA -0.599 54.218 54.840 -0.039 0.000 1.030 1422 L CB 0.730 42.750 42.059 -0.066 0.000 1.679 1422 L HN 0.902 nan 8.230 nan 0.000 0.468 1423 I N 4.826 125.290 120.570 -0.177 0.000 2.412 1423 I HA 0.528 4.704 4.170 0.010 0.000 0.296 1423 I C -0.402 175.425 176.117 -0.482 0.000 0.987 1423 I CA -0.560 60.522 61.300 -0.363 0.000 1.180 1423 I CB 1.867 39.560 38.000 -0.513 0.000 1.340 1423 I HN 0.504 nan 8.210 nan 0.000 0.455 1424 I N 6.391 126.691 120.570 -0.449 0.000 2.359 1424 I HA 0.275 4.451 4.170 0.010 0.000 0.284 1424 I C -0.815 175.089 176.117 -0.355 0.000 1.018 1424 I CA -0.575 60.522 61.300 -0.338 0.000 1.173 1424 I CB 0.719 38.630 38.000 -0.149 0.000 1.326 1424 I HN 0.424 nan 8.210 nan 0.000 0.462 1425 Y N 6.347 126.633 120.300 -0.022 0.000 2.304 1425 Y HA 0.452 5.008 4.550 0.010 0.000 0.327 1425 Y C -0.003 175.923 175.900 0.045 0.000 1.209 1425 Y CA -0.381 57.739 58.100 0.033 0.000 1.299 1425 Y CB 0.746 39.302 38.460 0.160 0.000 1.249 1425 Y HN 0.366 nan 8.280 nan 0.000 0.519 1426 L N 2.273 123.590 121.223 0.156 0.000 2.386 1426 L HA 0.338 4.684 4.340 0.010 0.000 0.271 1426 L C 0.176 177.103 176.870 0.094 0.000 0.993 1426 L CA -0.519 54.378 54.840 0.096 0.000 0.819 1426 L CB 1.799 43.881 42.059 0.037 0.000 1.294 1426 L HN 0.616 nan 8.230 nan 0.000 0.414 1427 D N 1.745 122.194 120.400 0.080 0.000 2.312 1427 D HA -0.023 4.623 4.640 0.010 0.000 0.211 1427 D C 0.125 176.461 176.300 0.060 0.000 0.964 1427 D CA 0.932 54.966 54.000 0.056 0.000 0.877 1427 D CB 0.240 41.066 40.800 0.043 0.000 0.924 1427 D HN 0.542 nan 8.370 nan 0.000 0.515 1428 K N -1.654 118.787 120.400 0.068 0.000 2.685 1428 K HA 0.427 4.754 4.320 0.010 0.000 0.290 1428 K C -1.542 175.109 176.600 0.086 0.000 1.018 1428 K CA -1.012 55.321 56.287 0.076 0.000 0.860 1428 K CB 1.585 34.129 32.500 0.075 0.000 1.498 1428 K HN -0.176 nan 8.250 nan 0.000 0.390 1429 V N -1.795 118.184 119.914 0.108 0.000 2.612 1429 V HA 0.507 4.633 4.120 0.010 0.000 0.301 1429 V C -0.263 175.926 176.094 0.158 0.000 1.059 1429 V CA -0.762 61.621 62.300 0.139 0.000 0.886 1429 V CB 1.387 33.343 31.823 0.220 0.000 1.007 1429 V HN 0.829 nan 8.190 nan 0.000 0.426 1430 S N 2.619 118.391 115.700 0.120 0.000 2.560 1430 S HA 0.124 4.600 4.470 0.010 0.000 0.284 1430 S C 1.318 175.994 174.600 0.127 0.000 1.327 1430 S CA 0.399 58.654 58.200 0.091 0.000 1.055 1430 S CB 0.070 63.273 63.200 0.006 0.000 0.868 1430 S HN 1.181 nan 8.310 nan 0.000 0.506 1431 H N 2.574 121.717 119.070 0.122 0.000 2.535 1431 H HA 0.106 4.658 4.556 -0.007 0.000 0.273 1431 H C 1.301 176.648 175.328 0.033 0.000 0.983 1431 H CA 0.931 57.030 56.048 0.084 0.000 1.238 1431 H CB -0.122 29.680 29.762 0.067 0.000 1.412 1431 H HN 0.467 nan 8.280 nan 0.000 0.562 1432 S N 0.787 116.131 115.700 -0.593 0.000 2.288 1432 S HA -0.011 4.465 4.470 0.010 0.000 0.198 1432 S C 0.510 175.010 174.600 -0.168 0.000 1.021 1432 S CA 0.803 58.721 58.200 -0.470 0.000 0.973 1432 S CB 0.059 62.988 63.200 -0.451 0.000 0.946 1432 S HN 0.609 nan 8.310 nan 0.000 0.470 1433 E N 1.232 121.365 120.200 -0.112 0.000 2.303 1433 E HA 0.531 4.888 4.350 0.010 0.000 0.254 1433 E C -1.500 175.093 176.600 -0.012 0.000 0.979 1433 E CA -0.950 55.422 56.400 -0.047 0.000 0.843 1433 E CB -0.113 29.564 29.700 -0.038 0.000 1.245 1433 E HN -0.097 nan 8.360 nan 0.000 0.413 1434 D N 0.559 120.960 120.400 0.002 0.000 2.390 1434 D HA 0.188 4.834 4.640 0.010 0.000 0.249 1434 D C -0.881 175.430 176.300 0.018 0.000 1.144 1434 D CA 0.068 54.080 54.000 0.020 0.000 0.880 1434 D CB 0.399 41.207 40.800 0.014 0.000 1.182 1434 D HN 0.212 nan 8.370 nan 0.000 0.451 1435 D N 1.813 122.233 120.400 0.034 0.000 2.317 1435 D HA 0.266 4.912 4.640 0.010 0.000 0.234 1435 D C -0.414 175.896 176.300 0.017 0.000 1.112 1435 D CA -0.179 53.838 54.000 0.028 0.000 0.840 1435 D CB 0.702 41.528 40.800 0.044 0.000 1.078 1435 D HN 0.220 nan 8.370 nan 0.000 0.486 1436 c N 2.522 121.124 118.600 0.002 0.000 2.848 1436 c HA 0.872 5.448 4.570 0.010 0.000 0.317 1436 c C -0.616 173.463 174.090 -0.019 0.000 1.260 1436 c CA -0.688 55.631 56.329 -0.016 0.000 1.656 1436 c CB 0.987 43.481 42.510 -0.026 0.000 2.174 1436 c HN 0.624 nan 8.230 nan 0.000 0.479 1437 L N -0.401 120.797 121.223 -0.041 0.000 2.933 1437 L HA 1.064 5.410 4.340 0.010 0.000 0.271 1437 L C -0.692 176.116 176.870 -0.103 0.000 1.071 1437 L CA -0.903 53.914 54.840 -0.037 0.000 0.938 1437 L CB 0.689 42.751 42.059 0.006 0.000 1.534 1437 L HN 1.139 nan 8.230 nan 0.000 0.396 1438 A N -0.030 122.730 122.820 -0.101 0.000 2.597 1438 A HA 0.911 5.238 4.320 0.010 0.000 0.292 1438 A C -1.860 175.648 177.584 -0.128 0.000 1.057 1438 A CA -0.217 51.664 52.037 -0.259 0.000 0.674 1438 A CB 1.326 20.183 19.000 -0.239 0.000 1.278 1438 A HN 1.794 nan 8.150 nan 0.000 0.416 1439 F N -0.718 119.181 119.950 -0.086 0.000 2.615 1439 F HA 0.678 5.211 4.527 0.010 0.000 0.312 1439 F C -0.346 175.396 175.800 -0.096 0.000 1.119 1439 F CA -1.108 56.849 58.000 -0.072 0.000 0.979 1439 F CB 1.311 40.278 39.000 -0.056 0.000 1.266 1439 F HN 0.482 nan 8.300 nan 0.000 0.444 1440 K N 3.209 123.675 120.400 0.111 0.000 2.451 1440 K HA 0.439 4.765 4.320 0.010 0.000 0.280 1440 K C -0.094 176.505 176.600 -0.001 0.000 1.020 1440 K CA -0.486 55.772 56.287 -0.048 0.000 1.008 1440 K CB 1.022 33.448 32.500 -0.123 0.000 0.917 1440 K HN 0.647 nan 8.250 nan 0.000 0.478 1441 V N 0.212 120.088 119.914 -0.063 0.000 2.850 1441 V HA 0.455 4.581 4.120 0.010 0.000 0.315 1441 V C -0.542 175.424 176.094 -0.214 0.000 1.064 1441 V CA -0.715 61.608 62.300 0.038 0.000 0.979 1441 V CB 1.543 33.525 31.823 0.265 0.000 1.039 1441 V HN 0.769 nan 8.190 nan 0.000 0.452 1442 H N 2.403 121.436 119.070 -0.061 0.000 2.667 1442 H HA 0.391 4.953 4.556 0.010 0.000 0.353 1442 H C -1.021 174.056 175.328 -0.419 0.000 1.072 1442 H CA -0.437 55.493 56.048 -0.196 0.000 1.214 1442 H CB 2.279 31.920 29.762 -0.201 0.000 1.600 1442 H HN 0.897 nan 8.280 nan 0.000 0.527 1443 Q N 2.825 122.208 119.800 -0.696 0.000 2.288 1443 Q HA 0.045 4.391 4.340 0.010 0.000 0.258 1443 Q C -0.447 175.382 176.000 -0.284 0.000 0.957 1443 Q CA -0.456 54.756 55.803 -0.985 0.000 0.919 1443 Q CB 0.508 28.466 28.738 -1.299 0.000 1.185 1443 Q HN 0.748 nan 8.270 nan 0.000 0.408 1444 Y N 3.010 123.326 120.300 0.027 0.000 2.444 1444 Y HA 0.398 4.955 4.550 0.010 0.000 0.249 1444 Y C -0.988 175.031 175.900 0.199 0.000 1.134 1444 Y CA -1.081 57.110 58.100 0.150 0.000 1.261 1444 Y CB 0.359 38.977 38.460 0.262 0.000 1.143 1444 Y HN 0.427 nan 8.280 nan 0.000 0.523 1445 F N 3.009 122.957 119.950 -0.003 0.000 2.518 1445 F HA 0.466 4.999 4.527 0.010 0.000 0.323 1445 F C -0.947 174.848 175.800 -0.008 0.000 1.129 1445 F CA -2.446 55.616 58.000 0.103 0.000 0.920 1445 F CB 1.196 40.274 39.000 0.129 0.000 1.160 1445 F HN 0.041 nan 8.300 nan 0.000 0.440 1446 N N 6.089 124.574 118.700 -0.359 0.000 2.408 1446 N HA 0.507 5.253 4.740 0.010 0.000 0.257 1446 N C -1.502 173.586 175.510 -0.703 0.000 1.064 1446 N CA 0.130 52.933 53.050 -0.412 0.000 0.952 1446 N CB 1.049 39.436 38.487 -0.166 0.000 1.093 1446 N HN 0.518 nan 8.380 nan 0.000 0.490 1447 V N 0.739 120.349 119.914 -0.507 0.000 3.049 1447 V HA 0.532 4.658 4.120 0.010 0.000 0.309 1447 V C -0.389 175.608 176.094 -0.161 0.000 1.148 1447 V CA -1.172 60.905 62.300 -0.372 0.000 0.990 1447 V CB 1.624 33.226 31.823 -0.368 0.000 1.039 1447 V HN 0.656 nan 8.190 nan 0.000 0.430 1448 E N 3.978 124.117 120.200 -0.102 0.000 2.313 1448 E HA 0.686 5.042 4.350 0.010 0.000 0.272 1448 E C -0.374 176.216 176.600 -0.016 0.000 1.038 1448 E CA -0.847 55.527 56.400 -0.044 0.000 0.863 1448 E CB 1.531 31.211 29.700 -0.032 0.000 1.060 1448 E HN 0.822 nan 8.360 nan 0.000 0.402 1449 L N 2.227 123.456 121.223 0.010 0.000 3.523 1449 L HA -0.200 4.146 4.340 0.010 0.000 0.668 1449 L C -0.309 176.591 176.870 0.050 0.000 1.211 1449 L CA 0.168 55.028 54.840 0.033 0.000 1.096 1449 L CB -1.537 40.534 42.059 0.021 0.000 1.617 1449 L HN 0.782 nan 8.230 nan 0.000 0.873 1450 I N 0.137 120.752 120.570 0.074 0.000 2.308 1450 I HA 0.343 4.519 4.170 0.010 0.000 0.293 1450 I C 0.733 176.911 176.117 0.100 0.000 1.078 1450 I CA -0.147 61.193 61.300 0.067 0.000 1.292 1450 I CB 1.286 39.309 38.000 0.039 0.000 1.423 1450 I HN 0.498 nan 8.210 nan 0.000 0.493 1451 Q N 7.894 127.740 119.800 0.077 0.000 2.414 1451 Q HA 0.244 4.591 4.340 0.010 0.000 0.288 1451 Q C -2.282 173.750 176.000 0.053 0.000 1.086 1451 Q CA -1.079 54.767 55.803 0.072 0.000 0.943 1451 Q CB 0.507 29.273 28.738 0.047 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 -0.646 176.540 177.300 -0.190 0.000 1.244 1452 P CA -0.130 62.952 63.100 -0.030 0.000 0.784 1452 P CB 1.147 32.871 31.700 0.039 0.000 0.913 1453 G N 1.850 110.297 108.800 -0.588 0.000 2.651 1453 G HA2 0.529 4.495 3.960 0.010 0.000 0.260 1453 G HA3 0.529 4.495 3.960 0.010 0.000 0.260 1453 G C -0.911 173.599 174.900 -0.650 0.000 1.216 1453 G CA -0.157 44.522 45.100 -0.702 0.000 0.913 1453 G HN 0.649 nan 8.290 nan 0.000 0.535 1454 A N -1.015 121.609 122.820 -0.328 0.000 2.574 1454 A HA 0.660 4.986 4.320 0.010 0.000 0.297 1454 A C -0.999 176.535 177.584 -0.084 0.000 1.062 1454 A CA -0.456 51.422 52.037 -0.265 0.000 0.686 1454 A CB 1.658 20.296 19.000 -0.604 0.000 1.285 1454 A HN 1.097 nan 8.150 nan 0.000 0.403 1455 V N 1.094 120.967 119.914 -0.069 0.000 2.630 1455 V HA 0.706 4.832 4.120 0.010 0.000 0.305 1455 V C 0.064 176.089 176.094 -0.115 0.000 1.046 1455 V CA -0.585 61.687 62.300 -0.046 0.000 0.934 1455 V CB 1.808 33.627 31.823 -0.007 0.000 1.003 1455 V HN 0.968 nan 8.190 nan 0.000 0.451 1456 K N 2.010 122.351 120.400 -0.098 0.000 2.469 1456 K HA 0.828 5.154 4.320 0.010 0.000 0.254 1456 K C -1.406 175.105 176.600 -0.147 0.000 0.939 1456 K CA -0.570 55.666 56.287 -0.084 0.000 0.812 1456 K CB 2.349 34.841 32.500 -0.013 0.000 1.301 1456 K HN 0.629 nan 8.250 nan 0.000 0.433 1457 V N 0.018 119.828 119.914 -0.174 0.000 3.040 1457 V HA 0.858 4.984 4.120 0.010 0.000 0.312 1457 V C -1.419 174.402 176.094 -0.456 0.000 1.115 1457 V CA -0.686 61.342 62.300 -0.453 0.000 0.998 1457 V CB 1.112 32.592 31.823 -0.572 0.000 1.042 1457 V HN 0.953 nan 8.190 nan 0.000 0.433 1458 Y N -0.533 119.316 120.300 -0.751 0.000 2.841 1458 Y HA 0.829 5.384 4.550 0.009 0.000 0.373 1458 Y C -0.522 175.118 175.900 -0.433 0.000 1.170 1458 Y CA -0.916 56.791 58.100 -0.655 0.000 1.196 1458 Y CB 0.381 38.669 38.460 -0.286 0.000 1.433 1458 Y HN 1.188 nan 8.280 nan 0.000 0.479 1459 A N 1.419 124.203 122.820 -0.059 0.000 2.327 1459 A HA 0.448 4.774 4.320 0.010 0.000 0.283 1459 A C 0.514 178.017 177.584 -0.135 0.000 1.127 1459 A CA -0.164 51.776 52.037 -0.162 0.000 0.810 1459 A CB -0.169 18.549 19.000 -0.472 0.000 1.066 1459 A HN 1.339 nan 8.150 nan 0.000 0.492 1460 Y N 2.208 122.491 120.300 -0.029 0.000 2.139 1460 Y HA -0.397 4.159 4.550 0.009 0.000 0.282 1460 Y C 1.763 177.708 175.900 0.075 0.000 1.179 1460 Y CA 2.331 60.491 58.100 0.100 0.000 1.161 1460 Y CB -1.177 37.346 38.460 0.104 0.000 0.970 1460 Y HN 0.780 nan 8.280 nan 0.000 0.511 1461 Y N 0.610 120.248 120.300 -1.104 0.000 2.097 1461 Y HA -0.064 4.491 4.550 0.008 0.000 0.282 1461 Y C 0.622 176.335 175.900 -0.311 0.000 1.152 1461 Y CA 0.852 58.402 58.100 -0.916 0.000 1.136 1461 Y CB -0.881 37.134 38.460 -0.740 0.000 0.975 1461 Y HN 0.208 nan 8.280 nan 0.000 0.498 1462 N N 0.295 118.771 118.700 -0.374 0.000 2.448 1462 N HA 0.165 4.912 4.740 0.010 0.000 0.279 1462 N C -0.159 175.245 175.510 -0.177 0.000 1.025 1462 N CA -0.545 52.441 53.050 -0.107 0.000 0.898 1462 N CB 1.741 40.315 38.487 0.145 0.000 1.303 1462 N HN 0.372 nan 8.380 nan 0.000 0.495 1463 L N 3.778 124.878 121.223 -0.205 0.000 2.209 1463 L HA 0.251 4.597 4.340 0.010 0.000 0.207 1463 L C 1.349 178.081 176.870 -0.231 0.000 1.094 1463 L CA 1.592 56.200 54.840 -0.387 0.000 0.790 1463 L CB 0.041 41.846 42.059 -0.423 0.000 0.932 1463 L HN 0.555 nan 8.230 nan 0.000 0.447 1464 E N 0.501 120.639 120.200 -0.104 0.000 2.268 1464 E HA -0.157 4.199 4.350 0.010 0.000 0.195 1464 E C 0.329 176.936 176.600 0.012 0.000 0.995 1464 E CA 0.931 57.305 56.400 -0.043 0.000 0.836 1464 E CB -0.095 29.598 29.700 -0.012 0.000 0.763 1464 E HN 0.627 nan 8.360 nan 0.000 0.491 1465 E N 1.379 121.608 120.200 0.048 0.000 2.028 1465 E HA 0.146 4.502 4.350 0.010 0.000 0.275 1465 E C -0.423 176.299 176.600 0.202 0.000 1.171 1465 E CA -0.261 56.224 56.400 0.142 0.000 1.186 1465 E CB 0.251 30.070 29.700 0.199 0.000 1.256 1465 E HN 0.003 nan 8.360 nan 0.000 0.474 1466 S N 0.922 116.700 115.700 0.129 0.000 2.739 1466 S HA 0.655 5.131 4.470 0.010 0.000 0.306 1466 S C -0.412 174.272 174.600 0.141 0.000 1.115 1466 S CA -0.828 57.447 58.200 0.124 0.000 0.985 1466 S CB 2.029 65.258 63.200 0.049 0.000 1.133 1466 S HN 0.526 nan 8.310 nan 0.000 0.541 1467 c N 0.629 119.286 118.600 0.095 0.000 3.080 1467 c HA 0.906 5.482 4.570 0.010 0.000 0.307 1467 c C -1.319 172.782 174.090 0.019 0.000 1.311 1467 c CA -0.028 56.353 56.329 0.087 0.000 1.533 1467 c CB 1.083 43.680 42.510 0.145 0.000 1.970 1467 c HN 1.058 nan 8.230 nan 0.000 0.467 1468 T N 3.579 118.134 114.554 0.003 0.000 3.509 1468 T HA 0.364 4.721 4.350 0.010 0.000 0.330 1468 T C -1.024 173.605 174.700 -0.117 0.000 0.851 1468 T CA -0.455 61.592 62.100 -0.088 0.000 1.057 1468 T CB 0.558 69.368 68.868 -0.097 0.000 1.023 1468 T HN 0.597 nan 8.240 nan 0.000 0.470 1469 R N 1.707 122.135 120.500 -0.121 0.000 2.338 1469 R HA 0.763 5.109 4.340 0.010 0.000 0.317 1469 R C -0.842 175.399 176.300 -0.097 0.000 0.968 1469 R CA -1.377 54.707 56.100 -0.027 0.000 0.849 1469 R CB 0.204 30.531 30.300 0.045 0.000 1.128 1469 R HN 0.448 nan 8.270 nan 0.000 0.448 1470 F N 3.563 123.536 119.950 0.038 0.000 2.368 1470 F HA 0.414 4.947 4.527 0.010 0.000 0.315 1470 F C 0.308 176.158 175.800 0.084 0.000 1.145 1470 F CA -0.143 57.856 58.000 -0.001 0.000 1.095 1470 F CB 0.526 39.498 39.000 -0.047 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 0.186 0.000 2.609 1471 Y HA 0.712 5.268 4.550 0.010 0.000 0.336 1471 Y C -1.343 174.623 175.900 0.109 0.000 1.129 1471 Y CA -1.272 56.880 58.100 0.087 0.000 1.040 1471 Y CB 1.487 39.941 38.460 -0.010 0.000 1.310 1471 Y HN 0.746 nan 8.280 nan 0.000 0.460 1472 H N 1.627 120.787 119.070 0.150 0.000 3.057 1472 H HA 0.240 4.802 4.556 0.010 0.000 0.308 1472 H C -2.874 172.469 175.328 0.025 0.000 1.276 1472 H CA -1.468 54.588 56.048 0.014 0.000 1.325 1472 H CB 2.671 32.402 29.762 -0.052 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 0.626 178.014 177.300 0.147 0.000 1.153 1473 P CA 1.376 64.446 63.100 -0.049 0.000 0.844 1473 P CB 0.744 32.341 31.700 -0.171 0.000 0.787 1474 E N -0.952 119.491 120.200 0.405 0.000 2.134 1474 E HA 0.068 4.424 4.350 0.010 0.000 0.194 1474 E C 0.360 177.027 176.600 0.110 0.000 0.937 1474 E CA -0.021 56.516 56.400 0.229 0.000 0.874 1474 E CB -0.121 29.699 29.700 0.200 0.000 0.853 1474 E HN 0.006 nan 8.360 nan 0.000 0.471 1475 K N 2.347 122.706 120.400 -0.069 0.000 2.530 1475 K HA -0.113 4.213 4.320 0.010 0.000 0.280 1475 K C 0.826 177.393 176.600 -0.055 0.000 1.004 1475 K CA 0.292 56.444 56.287 -0.224 0.000 1.071 1475 K CB 0.359 32.542 32.500 -0.528 0.000 0.876 1475 K HN 0.122 nan 8.250 nan 0.000 0.487 1476 E N 2.018 122.182 120.200 -0.060 0.000 2.021 1476 E HA -0.269 4.088 4.350 0.010 0.000 0.200 1476 E C 0.279 176.885 176.600 0.009 0.000 1.015 1476 E CA 1.667 58.054 56.400 -0.020 0.000 0.824 1476 E CB 0.189 29.868 29.700 -0.036 0.000 0.762 1476 E HN 0.532 nan 8.360 nan 0.000 0.454 1477 D N -1.904 118.492 120.400 -0.005 0.000 2.424 1477 D HA 0.159 4.805 4.640 0.010 0.000 0.220 1477 D C 0.419 176.757 176.300 0.063 0.000 1.150 1477 D CA 0.665 54.686 54.000 0.035 0.000 0.831 1477 D CB 0.751 41.564 40.800 0.022 0.000 0.981 1477 D HN 0.406 nan 8.370 nan 0.000 0.500 1478 G N 1.330 110.153 108.800 0.039 0.000 2.153 1478 G HA2 -0.319 3.647 3.960 0.010 0.000 0.252 1478 G HA3 -0.319 3.647 3.960 0.010 0.000 0.252 1478 G C 0.486 175.289 174.900 -0.162 0.000 0.994 1478 G CA 0.188 45.308 45.100 0.034 0.000 0.698 1478 G HN 0.179 nan 8.290 nan 0.000 0.521 1479 K N 0.544 120.834 120.400 -0.183 0.000 2.227 1479 K HA 0.646 4.972 4.320 0.010 0.000 0.280 1479 K C 1.299 177.754 176.600 -0.241 0.000 1.041 1479 K CA -0.577 55.559 56.287 -0.251 0.000 0.905 1479 K CB 0.484 32.893 32.500 -0.151 0.000 1.068 1479 K HN 0.241 nan 8.250 nan 0.000 0.470 1480 L N 2.398 123.468 121.223 -0.255 0.000 2.473 1480 L HA 0.063 4.409 4.340 0.010 0.000 0.265 1480 L C 0.203 176.997 176.870 -0.127 0.000 1.243 1480 L CA -0.053 54.674 54.840 -0.188 0.000 0.822 1480 L CB 0.240 42.204 42.059 -0.157 0.000 1.101 1480 L HN 0.619 nan 8.230 nan 0.000 0.507 1481 N N 1.660 120.305 118.700 -0.092 0.000 2.437 1481 N HA 0.222 4.968 4.740 0.010 0.000 0.243 1481 N C -0.795 174.749 175.510 0.057 0.000 1.041 1481 N CA -0.267 52.761 53.050 -0.037 0.000 0.940 1481 N CB 0.783 39.233 38.487 -0.062 0.000 1.133 1481 N HN 0.422 nan 8.380 nan 0.000 0.506 1482 K N 0.105 120.580 120.400 0.126 0.000 2.352 1482 K HA 0.681 5.007 4.320 0.010 0.000 0.240 1482 K C -1.100 175.674 176.600 0.290 0.000 1.017 1482 K CA -1.084 55.296 56.287 0.155 0.000 0.851 1482 K CB 1.677 34.221 32.500 0.073 0.000 1.261 1482 K HN 0.059 nan 8.250 nan 0.000 0.451 1483 L N 1.600 122.849 121.223 0.043 0.000 2.427 1483 L HA 0.380 4.727 4.340 0.010 0.000 0.264 1483 L C -1.822 175.077 176.870 0.048 0.000 0.989 1483 L CA -0.507 54.166 54.840 -0.279 0.000 0.865 1483 L CB 0.782 42.431 42.059 -0.684 0.000 1.209 1483 L HN 0.888 nan 8.230 nan 0.000 0.430 1484 c N 3.640 122.314 118.600 0.124 0.000 2.340 1484 c HA 0.686 5.262 4.570 0.010 0.000 0.323 1484 c C 0.199 174.354 174.090 0.108 0.000 1.260 1484 c CA -1.031 55.407 56.329 0.181 0.000 1.464 1484 c CB 1.203 43.771 42.510 0.096 0.000 2.156 1484 c HN 0.803 nan 8.230 nan 0.000 0.476 1485 R N 2.365 122.840 120.500 -0.043 0.000 2.343 1485 R HA 0.380 4.726 4.340 0.010 0.000 0.320 1485 R C 0.065 176.216 176.300 -0.248 0.000 0.956 1485 R CA 0.083 56.030 56.100 -0.255 0.000 0.836 1485 R CB 0.522 30.422 30.300 -0.666 0.000 1.151 1485 R HN 0.970 nan 8.270 nan 0.000 0.450 1486 D N 2.272 122.584 120.400 -0.147 0.000 4.508 1486 D HA -0.311 4.335 4.640 0.010 0.000 0.178 1486 D C 0.316 176.566 176.300 -0.083 0.000 0.644 1486 D CA 2.187 56.119 54.000 -0.114 0.000 1.244 1486 D CB -0.226 40.488 40.800 -0.144 0.000 0.727 1486 D HN 0.735 nan 8.370 nan 0.000 0.495 1487 E N -0.300 119.842 120.200 -0.096 0.000 2.514 1487 E HA 0.197 4.553 4.350 0.010 0.000 0.215 1487 E C 0.184 176.758 176.600 -0.043 0.000 0.946 1487 E CA -0.247 56.120 56.400 -0.056 0.000 1.038 1487 E CB 0.838 30.509 29.700 -0.049 0.000 1.069 1487 E HN 0.091 nan 8.360 nan 0.000 0.503 1488 L N 1.149 122.325 121.223 -0.079 0.000 2.275 1488 L HA 0.301 4.647 4.340 0.010 0.000 0.288 1488 L C -0.953 175.968 176.870 0.084 0.000 1.046 1488 L CA -0.246 54.579 54.840 -0.024 0.000 0.805 1488 L CB 1.030 43.037 42.059 -0.086 0.000 1.193 1488 L HN -0.019 nan 8.230 nan 0.000 0.426 1489 c N 5.171 123.846 118.600 0.125 0.000 2.529 1489 c HA 0.898 5.474 4.570 0.010 0.000 0.329 1489 c C -0.239 173.940 174.090 0.148 0.000 1.194 1489 c CA -0.690 55.736 56.329 0.162 0.000 1.779 1489 c CB 1.657 44.219 42.510 0.086 0.000 2.322 1489 c HN 0.978 nan 8.230 nan 0.000 0.500 1490 R N 1.557 122.114 120.500 0.096 0.000 2.707 1490 R HA 0.655 5.001 4.340 0.010 0.000 0.272 1490 R C -1.321 174.956 176.300 -0.038 0.000 1.011 1490 R CA -0.408 55.696 56.100 0.006 0.000 0.893 1490 R CB 0.516 30.782 30.300 -0.057 0.000 1.233 1490 R HN 0.660 nan 8.270 nan 0.000 0.464 1491 C N 1.727 121.006 119.300 -0.034 0.000 2.593 1491 C HA 0.698 5.164 4.460 0.010 0.000 0.409 1491 C C 0.487 175.461 174.990 -0.028 0.000 1.304 1491 C CA 0.508 59.513 59.018 -0.021 0.000 2.007 1491 C CB 0.097 27.827 27.740 -0.017 0.000 2.614 1491 C HN 0.785 nan 8.230 nan 0.000 0.585 1492 A N 4.777 127.603 122.820 0.010 0.000 3.410 1492 A HA 0.382 4.708 4.320 0.010 0.000 0.276 1492 A C 0.307 177.906 177.584 0.024 0.000 0.995 1492 A CA -0.008 52.051 52.037 0.038 0.000 0.934 1492 A CB -0.018 19.072 19.000 0.149 0.000 1.191 1492 A HN 0.854 nan 8.150 nan 0.000 0.511 1493 E N 0.947 121.142 120.200 -0.007 0.000 2.558 1493 E HA 0.056 4.412 4.350 0.010 0.000 0.205 1493 E C 0.251 176.837 176.600 -0.023 0.000 1.006 1493 E CA 0.060 56.445 56.400 -0.025 0.000 0.961 1493 E CB 0.480 30.160 29.700 -0.033 0.000 1.044 1493 E HN 0.846 nan 8.360 nan 0.000 0.465 1494 E N 0.717 120.905 120.200 -0.019 0.000 4.068 1494 E HA 0.052 4.408 4.350 0.010 0.000 0.355 1494 E C 0.741 177.325 176.600 -0.026 0.000 1.511 1494 E CA -0.258 56.128 56.400 -0.023 0.000 1.957 1494 E CB 0.105 29.789 29.700 -0.026 0.000 1.345 1494 E HN 0.161 nan 8.360 nan 0.000 0.796 1495 N N -0.887 117.794 118.700 -0.032 0.000 3.084 1495 N HA 0.567 5.314 4.740 0.010 0.000 0.336 1495 N C -0.100 175.381 175.510 -0.048 0.000 1.391 1495 N CA -0.461 52.566 53.050 -0.039 0.000 0.712 1495 N CB 0.968 39.429 38.487 -0.042 0.000 1.248 1495 N HN 0.755 nan 8.380 nan 0.000 0.545 1504 K N 0.049 120.468 120.400 0.032 0.000 2.473 1504 K HA 0.139 4.465 4.320 0.010 0.000 0.183 1504 K C -0.157 176.474 176.600 0.051 0.000 1.854 1504 K CA 0.883 57.188 56.287 0.030 0.000 1.084 1504 K CB -0.305 32.211 32.500 0.026 0.000 1.684 1504 K HN 0.341 nan 8.250 nan 0.000 0.565 1505 V N 2.324 122.289 119.914 0.085 0.000 4.591 1505 V HA -0.171 3.955 4.120 0.010 0.000 0.449 1505 V C 0.016 176.168 176.094 0.097 0.000 0.685 1505 V CA 1.046 63.432 62.300 0.143 0.000 1.751 1505 V CB -2.753 29.194 31.823 0.206 0.000 2.089 1505 V HN 0.683 nan 8.190 nan 0.000 0.491 1506 T N 2.405 117.008 114.554 0.082 0.000 2.922 1506 T HA 0.650 5.006 4.350 0.010 0.000 0.285 1506 T C 0.902 175.630 174.700 0.046 0.000 1.005 1506 T CA -0.326 61.805 62.100 0.051 0.000 1.061 1506 T CB 1.897 70.790 68.868 0.042 0.000 1.007 1506 T HN 0.774 nan 8.240 nan 0.000 0.502 1507 L N 0.616 121.864 121.223 0.041 0.000 2.661 1507 L HA -0.095 4.251 4.340 0.010 0.000 0.236 1507 L C 1.648 178.562 176.870 0.072 0.000 1.176 1507 L CA 1.270 56.148 54.840 0.063 0.000 0.836 1507 L CB -0.205 41.883 42.059 0.049 0.000 0.960 1507 L HN 0.748 nan 8.230 nan 0.000 0.455 1508 E N -1.677 118.551 120.200 0.046 0.000 2.367 1508 E HA -0.042 4.314 4.350 0.010 0.000 0.204 1508 E C 1.796 178.412 176.600 0.027 0.000 0.840 1508 E CA 0.002 56.420 56.400 0.029 0.000 1.051 1508 E CB 0.095 29.800 29.700 0.009 0.000 1.051 1508 E HN 0.160 nan 8.360 nan 0.000 0.509 1509 E N 1.376 121.598 120.200 0.036 0.000 2.072 1509 E HA -0.279 4.077 4.350 0.010 0.000 0.218 1509 E C 1.995 178.592 176.600 -0.005 0.000 1.051 1509 E CA 1.481 57.906 56.400 0.042 0.000 0.880 1509 E CB -0.503 29.251 29.700 0.091 0.000 0.783 1509 E HN 0.212 nan 8.360 nan 0.000 0.473 1510 R N 0.372 120.841 120.500 -0.052 0.000 2.134 1510 R HA -0.152 4.194 4.340 0.010 0.000 0.248 1510 R C 2.706 179.127 176.300 0.202 0.000 1.143 1510 R CA 1.566 57.591 56.100 -0.125 0.000 0.957 1510 R CB -0.664 29.438 30.300 -0.330 0.000 0.867 1510 R HN 0.218 nan 8.270 nan 0.000 0.441 1511 L N 0.530 121.858 121.223 0.174 0.000 2.265 1511 L HA -0.176 4.170 4.340 0.010 0.000 0.215 1511 L C 1.412 178.236 176.870 -0.077 0.000 1.117 1511 L CA 0.841 55.691 54.840 0.018 0.000 0.782 1511 L CB -0.488 41.548 42.059 -0.038 0.000 0.914 1511 L HN 0.255 nan 8.230 nan 0.000 0.441 1512 D N 0.226 120.589 120.400 -0.063 0.000 2.297 1512 D HA -0.073 4.573 4.640 0.010 0.000 0.233 1512 D C 1.871 178.084 176.300 -0.145 0.000 1.056 1512 D CA 0.521 54.471 54.000 -0.084 0.000 0.938 1512 D CB -0.371 40.409 40.800 -0.033 0.000 1.048 1512 D HN 0.070 nan 8.370 nan 0.000 0.442 1513 K N 1.003 121.341 120.400 -0.103 0.000 2.242 1513 K HA -0.159 4.167 4.320 0.010 0.000 0.206 1513 K C 2.004 178.267 176.600 -0.562 0.000 1.045 1513 K CA 1.344 57.574 56.287 -0.095 0.000 0.930 1513 K CB -0.130 32.498 32.500 0.214 0.000 0.726 1513 K HN 0.108 nan 8.250 nan 0.000 0.462 1514 A N 0.652 122.978 122.820 -0.824 0.000 1.874 1514 A HA -0.133 4.193 4.320 0.010 0.000 0.214 1514 A C 1.847 178.999 177.584 -0.721 0.000 1.189 1514 A CA 1.044 52.281 52.037 -1.332 0.000 0.615 1514 A CB -0.575 17.803 19.000 -1.037 0.000 0.830 1514 A HN 0.496 nan 8.150 nan 0.000 0.443 1515 c N 2.048 120.398 118.600 -0.416 0.000 2.842 1515 c HA 0.291 4.867 4.570 0.010 0.000 0.472 1515 c C 0.720 174.692 174.090 -0.196 0.000 1.272 1515 c CA -0.756 55.417 56.329 -0.260 0.000 1.549 1515 c CB -2.851 39.546 42.510 -0.189 0.000 1.870 1515 c HN 0.511 nan 8.230 nan 0.000 0.613 1516 E N 1.233 121.291 120.200 -0.236 0.000 2.849 1516 E HA 0.205 4.562 4.350 0.010 0.000 0.257 1516 E C -1.180 175.364 176.600 -0.094 0.000 1.306 1516 E CA -0.891 55.427 56.400 -0.136 0.000 1.058 1516 E CB 0.461 30.098 29.700 -0.105 0.000 1.249 1516 E HN 0.237 nan 8.360 nan 0.000 0.638 1517 P HA -0.045 nan 4.420 nan 0.000 0.212 1517 P C 1.282 178.569 177.300 -0.022 0.000 1.179 1517 P CA 1.031 64.114 63.100 -0.028 0.000 0.898 1517 P CB -0.258 31.437 31.700 -0.009 0.000 0.775 1518 G N 0.914 109.711 108.800 -0.005 0.000 2.628 1518 G HA2 -0.229 3.737 3.960 0.010 0.000 0.217 1518 G HA3 -0.229 3.737 3.960 0.010 0.000 0.217 1518 G C 0.225 175.111 174.900 -0.023 0.000 1.240 1518 G CA 1.058 46.159 45.100 0.001 0.000 0.792 1518 G HN 0.232 nan 8.290 nan 0.000 0.593 1519 V N 1.918 121.819 119.914 -0.021 0.000 2.982 1519 V HA -0.108 4.019 4.120 0.010 0.000 0.290 1519 V C 0.933 176.969 176.094 -0.097 0.000 1.233 1519 V CA 1.464 63.722 62.300 -0.070 0.000 1.336 1519 V CB 0.168 31.927 31.823 -0.106 0.000 0.813 1519 V HN 0.542 nan 8.190 nan 0.000 0.460 1520 D N 4.068 124.369 120.400 -0.165 0.000 2.501 1520 D HA 0.193 4.839 4.640 0.010 0.000 0.224 1520 D C -0.427 175.968 176.300 0.159 0.000 1.202 1520 D CA -0.075 53.933 54.000 0.013 0.000 0.829 1520 D CB 0.580 41.443 40.800 0.104 0.000 1.023 1520 D HN 0.754 nan 8.370 nan 0.000 0.499 1521 Y N -2.679 117.683 120.300 0.103 0.000 2.661 1521 Y HA 0.447 5.003 4.550 0.010 0.000 0.339 1521 Y C -2.096 173.777 175.900 -0.045 0.000 1.186 1521 Y CA -1.380 56.739 58.100 0.032 0.000 1.137 1521 Y CB 0.347 38.800 38.460 -0.013 0.000 1.354 1521 Y HN -0.278 nan 8.280 nan 0.000 0.469 1522 V N 2.410 122.431 119.914 0.179 0.000 3.007 1522 V HA 0.748 4.875 4.120 0.010 0.000 0.311 1522 V C -1.499 174.718 176.094 0.205 0.000 1.120 1522 V CA -0.966 61.455 62.300 0.202 0.000 0.980 1522 V CB 2.193 34.172 31.823 0.261 0.000 1.033 1522 V HN 0.780 nan 8.190 nan 0.000 0.429 1523 Y N 0.337 120.793 120.300 0.261 0.000 2.597 1523 Y HA 0.608 5.164 4.550 0.010 0.000 0.340 1523 Y C -0.060 175.867 175.900 0.046 0.000 1.097 1523 Y CA -1.855 56.306 58.100 0.103 0.000 1.037 1523 Y CB 1.726 40.186 38.460 0.001 0.000 1.305 1523 Y HN 0.494 nan 8.280 nan 0.000 0.463 1524 K N 0.459 120.934 120.400 0.125 0.000 2.132 1524 K HA 0.858 5.184 4.320 0.010 0.000 0.241 1524 K C -0.597 175.936 176.600 -0.112 0.000 1.000 1524 K CA -0.581 55.673 56.287 -0.055 0.000 0.911 1524 K CB 1.559 33.929 32.500 -0.216 0.000 1.093 1524 K HN 0.839 nan 8.250 nan 0.000 0.460 1525 T N -1.507 112.906 114.554 -0.235 0.000 2.739 1525 T HA 0.467 4.823 4.350 0.010 0.000 0.303 1525 T C -1.522 172.955 174.700 -0.372 0.000 1.389 1525 T CA -1.327 60.626 62.100 -0.245 0.000 1.001 1525 T CB 1.223 69.975 68.868 -0.193 0.000 1.436 1525 T HN 0.745 nan 8.240 nan 0.000 0.500 1526 R N 0.981 121.321 120.500 -0.267 0.000 2.575 1526 R HA 0.577 4.923 4.340 0.010 0.000 0.292 1526 R C -1.344 174.922 176.300 -0.058 0.000 1.246 1526 R CA -1.009 54.963 56.100 -0.213 0.000 0.973 1526 R CB 0.813 30.981 30.300 -0.220 0.000 1.187 1526 R HN 0.530 nan 8.270 nan 0.000 0.478 1527 L N 4.428 125.656 121.223 0.007 0.000 2.654 1527 L HA 0.005 4.351 4.340 0.010 0.000 0.271 1527 L C 0.244 177.135 176.870 0.036 0.000 1.169 1527 L CA 0.592 55.411 54.840 -0.035 0.000 0.947 1527 L CB 0.995 42.962 42.059 -0.154 0.000 1.232 1527 L HN 0.707 nan 8.230 nan 0.000 0.486 1528 V N 4.009 123.939 119.914 0.027 0.000 2.502 1528 V HA 0.198 4.324 4.120 0.010 0.000 0.234 1528 V C 1.053 177.178 176.094 0.052 0.000 1.072 1528 V CA 0.509 62.832 62.300 0.040 0.000 1.094 1528 V CB -0.435 31.403 31.823 0.025 0.000 0.761 1528 V HN 0.718 nan 8.190 nan 0.000 0.489 1529 K N -0.346 120.088 120.400 0.056 0.000 2.295 1529 K HA 0.706 5.032 4.320 0.010 0.000 0.239 1529 K C -1.652 174.996 176.600 0.080 0.000 0.991 1529 K CA -0.467 55.855 56.287 0.059 0.000 0.845 1529 K CB 2.403 34.930 32.500 0.044 0.000 1.197 1529 K HN 0.020 nan 8.250 nan 0.000 0.441 1530 V N 3.096 123.048 119.914 0.063 0.000 2.658 1530 V HA 0.147 4.273 4.120 0.010 0.000 0.259 1530 V C -1.274 174.817 176.094 -0.006 0.000 0.933 1530 V CA -0.713 61.619 62.300 0.054 0.000 0.871 1530 V CB 1.126 33.020 31.823 0.118 0.000 1.062 1530 V HN 0.728 nan 8.190 nan 0.000 0.479 1531 Q N 3.998 123.777 119.800 -0.035 0.000 2.369 1531 Q HA 0.417 4.763 4.340 0.010 0.000 0.247 1531 Q C -0.901 175.060 176.000 -0.064 0.000 1.083 1531 Q CA -0.421 55.363 55.803 -0.033 0.000 0.905 1531 Q CB 1.080 29.810 28.738 -0.014 0.000 1.305 1531 Q HN 0.398 nan 8.270 nan 0.000 0.465 1532 L N 2.579 123.772 121.223 -0.050 0.000 2.264 1532 L HA 0.394 4.740 4.340 0.010 0.000 0.289 1532 L C 0.489 177.337 176.870 -0.038 0.000 1.044 1532 L CA 0.125 54.928 54.840 -0.061 0.000 0.807 1532 L CB 0.648 42.679 42.059 -0.046 0.000 1.192 1532 L HN 0.610 nan 8.230 nan 0.000 0.425 1533 S N 1.844 117.521 115.700 -0.038 0.000 2.841 1533 S HA 0.512 4.988 4.470 0.010 0.000 0.318 1533 S C 0.863 175.442 174.600 -0.035 0.000 1.127 1533 S CA -0.688 57.500 58.200 -0.019 0.000 0.883 1533 S CB 1.077 64.283 63.200 0.009 0.000 1.271 1533 S HN 0.466 nan 8.310 nan 0.000 0.567 1534 N N 1.983 120.671 118.700 -0.020 0.000 2.020 1534 N HA -0.208 4.538 4.740 0.010 0.000 0.200 1534 N C 1.205 176.667 175.510 -0.079 0.000 1.054 1534 N CA 2.734 55.764 53.050 -0.034 0.000 0.874 1534 N CB -0.489 37.995 38.487 -0.005 0.000 1.075 1534 N HN 0.822 nan 8.380 nan 0.000 0.446 1535 D N -0.776 119.601 120.400 -0.038 0.000 2.113 1535 D HA -0.029 4.617 4.640 0.010 0.000 0.206 1535 D C -0.172 175.877 176.300 -0.418 0.000 0.979 1535 D CA 1.162 55.094 54.000 -0.114 0.000 0.862 1535 D CB -0.462 40.496 40.800 0.263 0.000 1.013 1535 D HN 0.216 nan 8.370 nan 0.000 0.455 1536 F N 0.532 120.462 119.950 -0.032 0.000 2.556 1536 F HA 0.313 4.846 4.527 0.010 0.000 0.314 1536 F C -0.535 175.205 175.800 -0.101 0.000 1.106 1536 F CA -1.230 56.737 58.000 -0.054 0.000 0.911 1536 F CB 1.893 40.877 39.000 -0.026 0.000 1.190 1536 F HN -0.283 nan 8.300 nan 0.000 0.448 1537 D N 3.104 123.479 120.400 -0.041 0.000 2.316 1537 D HA 0.151 4.797 4.640 0.010 0.000 0.245 1537 D C -0.295 175.786 176.300 -0.366 0.000 1.171 1537 D CA -0.140 53.703 54.000 -0.262 0.000 0.856 1537 D CB 1.115 41.650 40.800 -0.440 0.000 1.090 1537 D HN 0.565 nan 8.370 nan 0.000 0.476 1538 E N 1.506 121.552 120.200 -0.257 0.000 2.259 1538 E HA 0.166 4.522 4.350 0.010 0.000 0.281 1538 E C -0.599 175.846 176.600 -0.258 0.000 1.027 1538 E CA -0.394 55.913 56.400 -0.155 0.000 0.838 1538 E CB 0.882 30.570 29.700 -0.020 0.000 1.066 1538 E HN 0.343 nan 8.360 nan 0.000 0.401 1539 Y N 2.234 122.585 120.300 0.085 0.000 2.837 1539 Y HA 0.285 4.841 4.550 0.011 0.000 0.356 1539 Y C 0.065 175.995 175.900 0.049 0.000 1.035 1539 Y CA -0.658 57.461 58.100 0.031 0.000 1.165 1539 Y CB 0.119 38.565 38.460 -0.023 0.000 1.147 1539 Y HN 0.404 nan 8.280 nan 0.000 0.628 1540 I N 4.299 124.965 120.570 0.161 0.000 2.742 1540 I HA -0.049 4.127 4.170 0.010 0.000 0.287 1540 I C -0.074 176.092 176.117 0.082 0.000 1.186 1540 I CA 0.881 62.256 61.300 0.124 0.000 1.417 1540 I CB 0.233 38.280 38.000 0.078 0.000 1.377 1540 I HN 0.371 nan 8.210 nan 0.000 0.556 1541 M N 6.052 125.699 119.600 0.079 0.000 2.253 1541 M HA 0.440 4.926 4.480 0.010 0.000 0.314 1541 M C -0.047 176.225 176.300 -0.047 0.000 1.019 1541 M CA -0.632 54.653 55.300 -0.025 0.000 0.932 1541 M CB 1.634 34.153 32.600 -0.136 0.000 1.606 1541 M HN 0.597 nan 8.290 nan 0.000 0.430 1542 A N 4.617 127.387 122.820 -0.083 0.000 2.366 1542 A HA 0.662 4.988 4.320 0.010 0.000 0.249 1542 A C 0.070 177.558 177.584 -0.161 0.000 1.084 1542 A CA -0.306 51.669 52.037 -0.103 0.000 0.794 1542 A CB 0.270 19.213 19.000 -0.095 0.000 1.034 1542 A HN 0.838 nan 8.150 nan 0.000 0.491 1543 I N 1.319 121.780 120.570 -0.182 0.000 2.620 1543 I HA 0.133 4.309 4.170 0.010 0.000 0.280 1543 I C 0.714 176.713 176.117 -0.197 0.000 1.143 1543 I CA 0.195 61.341 61.300 -0.257 0.000 1.163 1543 I CB 0.667 38.419 38.000 -0.414 0.000 1.461 1543 I HN 0.942 nan 8.210 nan 0.000 0.530 1544 E N 5.604 125.697 120.200 -0.178 0.000 2.506 1544 E HA 0.010 4.366 4.350 0.010 0.000 0.210 1544 E C -0.613 175.921 176.600 -0.111 0.000 1.325 1544 E CA 0.471 56.786 56.400 -0.142 0.000 1.273 1544 E CB 0.072 29.659 29.700 -0.189 0.000 1.276 1544 E HN 0.580 nan 8.360 nan 0.000 0.442 1545 Q N -1.140 118.597 119.800 -0.105 0.000 3.487 1545 Q HA -0.080 4.267 4.340 0.010 0.000 0.130 1545 Q C -0.867 175.124 176.000 -0.016 0.000 0.981 1545 Q CA 0.427 56.198 55.803 -0.053 0.000 1.225 1545 Q CB -0.646 28.076 28.738 -0.026 0.000 1.756 1545 Q HN 0.303 nan 8.270 nan 0.000 0.591 1546 T N -0.727 113.834 114.554 0.012 0.000 3.783 1546 T HA 0.374 4.730 4.350 0.010 0.000 0.262 1546 T C 1.176 176.008 174.700 0.220 0.000 1.381 1546 T CA -0.328 61.850 62.100 0.130 0.000 1.155 1546 T CB -0.601 68.318 68.868 0.084 0.000 1.256 1546 T HN 0.575 nan 8.240 nan 0.000 0.807 1547 I N 0.383 121.094 120.570 0.234 0.000 2.848 1547 I HA -0.128 4.048 4.170 0.010 0.000 0.271 1547 I C 1.344 177.553 176.117 0.153 0.000 1.248 1547 I CA 1.211 62.613 61.300 0.171 0.000 1.442 1547 I CB -0.239 37.876 38.000 0.190 0.000 1.110 1547 I HN 0.545 nan 8.210 nan 0.000 0.479 1548 K N 0.599 121.131 120.400 0.219 0.000 2.745 1548 K HA 0.193 4.519 4.320 0.010 0.000 0.293 1548 K C -0.364 176.390 176.600 0.258 0.000 1.271 1548 K CA -0.212 56.181 56.287 0.178 0.000 1.060 1548 K CB 0.683 33.260 32.500 0.127 0.000 1.394 1548 K HN -0.129 nan 8.250 nan 0.000 0.537 1549 S N 0.606 116.439 115.700 0.222 0.000 2.611 1549 S HA 0.570 5.047 4.470 0.010 0.000 0.252 1549 S C 0.725 175.479 174.600 0.256 0.000 1.369 1549 S CA 0.372 58.724 58.200 0.254 0.000 0.975 1549 S CB 0.941 64.237 63.200 0.161 0.000 0.937 1549 S HN 0.867 nan 8.310 nan 0.000 0.584 1550 G N -0.402 108.555 108.800 0.262 0.000 2.512 1550 G HA2 0.307 4.274 3.960 0.010 0.000 0.186 1550 G HA3 0.307 4.274 3.960 0.010 0.000 0.186 1550 G C 0.492 175.528 174.900 0.226 0.000 1.189 1550 G CA 0.065 45.319 45.100 0.256 0.000 0.994 1550 G HN 0.506 nan 8.290 nan 0.000 0.506 1551 S N -0.084 115.773 115.700 0.262 0.000 2.368 1551 S HA 0.049 4.525 4.470 0.010 0.000 0.224 1551 S C 0.706 175.368 174.600 0.102 0.000 1.029 1551 S CA 1.258 59.558 58.200 0.167 0.000 0.988 1551 S CB -0.116 63.199 63.200 0.192 0.000 0.838 1551 S HN 0.482 nan 8.310 nan 0.000 0.462 1552 D N 2.817 123.337 120.400 0.200 0.000 2.374 1552 D HA 0.106 4.752 4.640 0.010 0.000 0.240 1552 D C -0.461 175.937 176.300 0.164 0.000 1.229 1552 D CA -0.060 54.028 54.000 0.147 0.000 0.895 1552 D CB 0.188 41.185 40.800 0.329 0.000 1.046 1552 D HN 0.083 nan 8.370 nan 0.000 0.498 1553 E N 2.544 122.792 120.200 0.080 0.000 1.939 1553 E HA 0.041 4.397 4.350 0.010 0.000 0.259 1553 E C -0.381 176.248 176.600 0.048 0.000 1.259 1553 E CA -0.013 56.426 56.400 0.064 0.000 0.971 1553 E CB 0.888 30.607 29.700 0.032 0.000 1.055 1553 E HN 0.172 nan 8.360 nan 0.000 0.420 1554 V N 3.830 123.772 119.914 0.047 0.000 2.357 1554 V HA 0.163 4.289 4.120 0.010 0.000 0.284 1554 V C -0.548 175.523 176.094 -0.038 0.000 1.018 1554 V CA -0.814 61.481 62.300 -0.009 0.000 0.841 1554 V CB 1.706 33.488 31.823 -0.068 0.000 0.991 1554 V HN 0.367 nan 8.190 nan 0.000 0.437 1555 Q N 4.792 124.571 119.800 -0.034 0.000 2.307 1555 Q HA 0.392 4.738 4.340 0.010 0.000 0.261 1555 Q C -0.014 175.947 176.000 -0.064 0.000 1.051 1555 Q CA 0.300 56.080 55.803 -0.038 0.000 0.911 1555 Q CB 1.168 29.892 28.738 -0.024 0.000 1.227 1555 Q HN 0.775 nan 8.270 nan 0.000 0.418 1556 V N 2.507 122.375 119.914 -0.077 0.000 3.233 1556 V HA -0.045 4.081 4.120 0.010 0.000 0.290 1556 V C 1.661 177.707 176.094 -0.080 0.000 1.275 1556 V CA 2.051 64.290 62.300 -0.102 0.000 1.375 1556 V CB 0.129 31.902 31.823 -0.083 0.000 0.980 1556 V HN 1.096 nan 8.190 nan 0.000 0.521 1557 G N 2.307 111.053 108.800 -0.090 0.000 2.212 1557 G HA2 -0.300 3.666 3.960 0.010 0.000 0.266 1557 G HA3 -0.300 3.666 3.960 0.010 0.000 0.266 1557 G C 0.224 175.088 174.900 -0.060 0.000 0.978 1557 G CA 0.605 45.666 45.100 -0.066 0.000 0.632 1557 G HN 0.805 nan 8.290 nan 0.000 0.537 1558 Q N 0.668 120.423 119.800 -0.074 0.000 2.288 1558 Q HA 0.546 4.892 4.340 0.010 0.000 0.254 1558 Q C 0.589 176.549 176.000 -0.066 0.000 0.932 1558 Q CA -0.224 55.544 55.803 -0.059 0.000 0.902 1558 Q CB 0.438 29.142 28.738 -0.057 0.000 1.203 1558 Q HN 0.613 nan 8.270 nan 0.000 0.415 1559 Q N 2.144 121.925 119.800 -0.033 0.000 2.260 1559 Q HA 0.514 4.860 4.340 0.010 0.000 0.238 1559 Q C -0.744 175.264 176.000 0.013 0.000 0.948 1559 Q CA -0.533 55.261 55.803 -0.014 0.000 0.895 1559 Q CB 1.207 29.949 28.738 0.007 0.000 1.218 1559 Q HN 0.288 nan 8.270 nan 0.000 0.470 1560 R N 0.830 121.361 120.500 0.052 0.000 2.522 1560 R HA 0.280 4.626 4.340 0.010 0.000 0.273 1560 R C -1.375 175.039 176.300 0.191 0.000 1.133 1560 R CA -0.443 55.715 56.100 0.097 0.000 0.969 1560 R CB 1.922 32.247 30.300 0.041 0.000 1.235 1560 R HN 0.642 nan 8.270 nan 0.000 0.433 1561 T N 3.422 118.069 114.554 0.155 0.000 2.794 1561 T HA 0.455 4.811 4.350 0.010 0.000 0.296 1561 T C -0.063 174.746 174.700 0.181 0.000 0.949 1561 T CA 0.143 62.356 62.100 0.188 0.000 1.101 1561 T CB 0.203 69.145 68.868 0.123 0.000 0.905 1561 T HN 0.156 nan 8.240 nan 0.000 0.516 1562 F N 2.498 122.515 119.950 0.112 0.000 2.469 1562 F HA 0.590 5.123 4.527 0.010 0.000 0.332 1562 F C 0.328 176.215 175.800 0.145 0.000 1.103 1562 F CA -1.341 56.746 58.000 0.145 0.000 0.979 1562 F CB 1.135 40.208 39.000 0.121 0.000 1.137 1562 F HN 0.355 nan 8.300 nan 0.000 0.463 1563 I N 1.937 122.638 120.570 0.218 0.000 2.530 1563 I HA 0.601 4.777 4.170 0.010 0.000 0.297 1563 I C -0.421 175.802 176.117 0.177 0.000 1.011 1563 I CA -0.696 60.682 61.300 0.130 0.000 1.107 1563 I CB 2.107 40.106 38.000 -0.002 0.000 1.285 1563 I HN 0.509 nan 8.210 nan 0.000 0.436 1564 S N 5.672 121.518 115.700 0.243 0.000 2.541 1564 S HA 0.592 5.068 4.470 0.010 0.000 0.271 1564 S C -2.966 171.821 174.600 0.311 0.000 1.133 1564 S CA -1.328 57.040 58.200 0.280 0.000 0.876 1564 S CB 2.377 65.754 63.200 0.295 0.000 1.105 1564 S HN 0.223 nan 8.310 nan 0.000 0.470 1565 P HA 0.203 nan 4.420 nan 0.000 0.267 1565 P C 1.114 178.249 177.300 -0.275 0.000 1.209 1565 P CA -0.132 62.811 63.100 -0.261 0.000 0.763 1565 P CB 0.188 31.836 31.700 -0.087 0.000 0.816 1566 I N 3.642 123.930 120.570 -0.470 0.000 2.450 1566 I HA -0.371 3.806 4.170 0.010 0.000 0.260 1566 I C 1.789 177.807 176.117 -0.164 0.000 1.145 1566 I CA 1.835 62.972 61.300 -0.272 0.000 1.413 1566 I CB 0.073 37.894 38.000 -0.298 0.000 1.090 1566 I HN 0.343 nan 8.210 nan 0.000 0.445 1567 K N -0.481 119.816 120.400 -0.172 0.000 2.439 1567 K HA -0.064 4.262 4.320 0.010 0.000 0.197 1567 K C 1.336 177.903 176.600 -0.056 0.000 1.041 1567 K CA 1.474 57.697 56.287 -0.106 0.000 0.970 1567 K CB -0.184 32.249 32.500 -0.112 0.000 0.773 1567 K HN 0.388 nan 8.250 nan 0.000 0.479 1568 c N 0.185 118.766 118.600 -0.032 0.000 3.491 1568 c HA 0.303 4.879 4.570 0.010 0.000 0.298 1568 c C 1.842 175.954 174.090 0.038 0.000 1.424 1568 c CA -0.563 55.766 56.329 -0.001 0.000 1.772 1568 c CB -0.395 42.120 42.510 0.008 0.000 2.447 1568 c HN 0.639 nan 8.230 nan 0.000 0.670 1569 R N 1.970 122.506 120.500 0.060 0.000 2.371 1569 R HA -0.160 4.186 4.340 0.010 0.000 0.226 1569 R C 1.564 177.911 176.300 0.078 0.000 1.132 1569 R CA 1.730 57.909 56.100 0.131 0.000 1.027 1569 R CB -0.232 30.116 30.300 0.081 0.000 0.848 1569 R HN 0.691 nan 8.270 nan 0.000 0.479 1570 E N -0.637 119.581 120.200 0.030 0.000 2.162 1570 E HA 0.003 4.359 4.350 0.010 0.000 0.193 1570 E C 1.596 178.196 176.600 0.001 0.000 0.953 1570 E CA 0.644 57.052 56.400 0.013 0.000 0.849 1570 E CB 0.075 29.774 29.700 -0.001 0.000 0.810 1570 E HN 0.461 nan 8.360 nan 0.000 0.470 1571 A N 0.720 123.534 122.820 -0.009 0.000 1.935 1571 A HA 0.040 4.366 4.320 0.010 0.000 0.214 1571 A C 2.034 179.593 177.584 -0.042 0.000 1.178 1571 A CA 0.373 52.393 52.037 -0.029 0.000 0.640 1571 A CB -0.340 18.637 19.000 -0.038 0.000 0.825 1571 A HN 0.215 nan 8.150 nan 0.000 0.447 1572 L N -0.330 120.865 121.223 -0.047 0.000 2.156 1572 L HA -0.102 4.244 4.340 0.010 0.000 0.208 1572 L C 0.684 177.518 176.870 -0.061 0.000 1.095 1572 L CA 0.948 55.736 54.840 -0.087 0.000 0.770 1572 L CB -0.558 41.410 42.059 -0.151 0.000 0.914 1572 L HN 0.495 nan 8.230 nan 0.000 0.439 1573 K N 1.010 121.391 120.400 -0.031 0.000 4.489 1573 K HA -0.202 4.125 4.320 0.010 0.000 0.276 1573 K C -0.843 175.776 176.600 0.032 0.000 0.763 1573 K CA 0.961 57.251 56.287 0.006 0.000 0.735 1573 K CB -2.507 30.006 32.500 0.021 0.000 1.902 1573 K HN 0.224 nan 8.250 nan 0.000 0.411 1574 L N 0.366 121.525 121.223 -0.106 0.000 2.399 1574 L HA 0.513 4.859 4.340 0.010 0.000 0.266 1574 L C 0.566 177.444 176.870 0.014 0.000 1.114 1574 L CA -0.515 54.237 54.840 -0.147 0.000 0.804 1574 L CB 1.073 42.618 42.059 -0.857 0.000 1.146 1574 L HN 0.500 nan 8.230 nan 0.000 0.451 1575 E N 0.431 120.764 120.200 0.221 0.000 2.314 1575 E HA 0.272 4.628 4.350 0.010 0.000 0.272 1575 E C -1.179 175.542 176.600 0.203 0.000 0.884 1575 E CA -0.745 55.764 56.400 0.181 0.000 0.753 1575 E CB 1.626 31.426 29.700 0.167 0.000 1.213 1575 E HN 0.509 nan 8.360 nan 0.000 0.432 1576 E N 2.117 122.398 120.200 0.134 0.000 2.565 1576 E HA -0.177 4.179 4.350 0.010 0.000 0.268 1576 E C -0.086 176.603 176.600 0.148 0.000 1.000 1576 E CA 1.031 57.503 56.400 0.121 0.000 0.964 1576 E CB 0.288 30.042 29.700 0.090 0.000 0.955 1576 E HN 0.526 nan 8.360 nan 0.000 0.459 1577 K N -0.089 120.396 120.400 0.141 0.000 3.529 1577 K HA -0.321 4.005 4.320 0.010 0.000 0.313 1577 K C 0.798 177.512 176.600 0.190 0.000 1.316 1577 K CA 1.557 57.930 56.287 0.143 0.000 0.988 1577 K CB -0.695 31.865 32.500 0.101 0.000 1.252 1577 K HN 0.362 nan 8.250 nan 0.000 0.438 1578 K N -0.012 120.548 120.400 0.267 0.000 2.057 1578 K HA 0.007 4.333 4.320 0.010 0.000 0.197 1578 K C 0.728 177.467 176.600 0.231 0.000 1.055 1578 K CA 1.882 58.302 56.287 0.221 0.000 1.028 1578 K CB -0.078 32.582 32.500 0.267 0.000 1.289 1578 K HN 0.328 nan 8.250 nan 0.000 0.462 1579 H N -2.092 116.955 119.070 -0.038 0.000 4.648 1579 H HA 0.130 4.692 4.556 0.010 0.000 0.434 1579 H C -0.972 174.341 175.328 -0.026 0.000 1.292 1579 H CA -0.140 55.890 56.048 -0.030 0.000 1.210 1579 H CB -1.033 28.650 29.762 -0.132 0.000 3.929 1579 H HN 0.383 nan 8.280 nan 0.000 0.670 1580 Y N 0.681 120.940 120.300 -0.069 0.000 2.227 1580 Y HA 0.117 4.673 4.550 0.010 0.000 0.427 1580 Y C 0.791 176.680 175.900 -0.017 0.000 1.222 1580 Y CA 0.371 58.454 58.100 -0.028 0.000 1.873 1580 Y CB 0.174 38.598 38.460 -0.059 0.000 1.551 1580 Y HN 0.161 nan 8.280 nan 0.000 0.773 1581 L N -0.575 120.783 121.223 0.224 0.000 2.845 1581 L HA 0.576 4.923 4.340 0.010 0.000 0.256 1581 L C -1.245 175.761 176.870 0.227 0.000 0.968 1581 L CA -1.322 53.623 54.840 0.175 0.000 0.944 1581 L CB 1.854 44.058 42.059 0.241 0.000 1.494 1581 L HN 0.808 nan 8.230 nan 0.000 0.419 1582 M N 0.908 120.639 119.600 0.218 0.000 2.853 1582 M HA 0.613 5.099 4.480 0.010 0.000 0.273 1582 M C -2.521 173.969 176.300 0.316 0.000 1.128 1582 M CA -0.566 54.884 55.300 0.250 0.000 0.814 1582 M CB 2.194 34.852 32.600 0.096 0.000 1.667 1582 M HN 1.112 nan 8.290 nan 0.000 0.519 1583 W N 1.209 122.626 121.300 0.195 0.000 2.900 1583 W HA 0.811 5.478 4.660 0.011 0.000 0.336 1583 W C -1.225 175.325 176.519 0.052 0.000 1.064 1583 W CA -0.665 56.730 57.345 0.084 0.000 1.237 1583 W CB 1.012 30.458 29.460 -0.023 0.000 1.391 1583 W HN 1.058 nan 8.180 nan 0.000 0.468 1584 G N 2.278 111.039 108.800 -0.064 0.000 3.209 1584 G HA2 0.743 4.709 3.960 0.010 0.000 0.236 1584 G HA3 0.743 4.709 3.960 0.010 0.000 0.236 1584 G C -1.269 173.398 174.900 -0.389 0.000 1.329 1584 G CA -1.213 43.818 45.100 -0.115 0.000 1.015 1584 G HN 0.497 nan 8.290 nan 0.000 0.571 1585 L N 0.193 121.281 121.223 -0.225 0.000 2.358 1585 L HA 0.273 4.620 4.340 0.010 0.000 0.268 1585 L C 1.804 178.493 176.870 -0.301 0.000 1.032 1585 L CA -0.591 54.117 54.840 -0.220 0.000 0.805 1585 L CB 1.977 43.977 42.059 -0.100 0.000 1.253 1585 L HN 0.690 nan 8.230 nan 0.000 0.452 1586 S N -1.479 114.104 115.700 -0.195 0.000 2.474 1586 S HA -0.145 4.331 4.470 0.010 0.000 0.235 1586 S C 1.749 176.250 174.600 -0.166 0.000 0.997 1586 S CA 0.852 58.972 58.200 -0.133 0.000 0.949 1586 S CB -0.222 63.001 63.200 0.039 0.000 0.766 1586 S HN 0.798 nan 8.310 nan 0.000 0.517 1587 S N 2.075 117.680 115.700 -0.158 0.000 2.406 1587 S HA -0.042 4.434 4.470 0.010 0.000 0.224 1587 S C 1.074 175.569 174.600 -0.174 0.000 1.030 1587 S CA 0.497 58.647 58.200 -0.084 0.000 0.958 1587 S CB -0.582 62.587 63.200 -0.051 0.000 0.811 1587 S HN 0.314 nan 8.310 nan 0.000 0.489 1588 D N 1.435 121.643 120.400 -0.320 0.000 2.408 1588 D HA 0.117 4.763 4.640 0.010 0.000 0.248 1588 D C -0.122 175.972 176.300 -0.343 0.000 1.122 1588 D CA 0.292 54.110 54.000 -0.303 0.000 0.964 1588 D CB -0.570 40.096 40.800 -0.222 0.000 0.884 1588 D HN 0.351 nan 8.370 nan 0.000 0.524 1589 F N -0.308 119.575 119.950 -0.110 0.000 2.373 1589 F HA 0.323 4.856 4.527 0.010 0.000 0.302 1589 F C 0.668 176.526 175.800 0.097 0.000 1.247 1589 F CA -0.455 57.470 58.000 -0.126 0.000 1.169 1589 F CB 0.464 39.397 39.000 -0.112 0.000 1.309 1589 F HN -0.104 nan 8.300 nan 0.000 0.537 1590 W N 0.033 121.373 121.300 0.068 0.000 3.405 1590 W HA 0.415 5.081 4.660 0.010 0.000 0.329 1590 W C 0.048 176.551 176.519 -0.027 0.000 1.142 1590 W CA -0.382 56.955 57.345 -0.014 0.000 1.235 1590 W CB 1.716 31.145 29.460 -0.052 0.000 1.341 1590 W HN 0.867 nan 8.180 nan 0.000 0.481 1591 G N 3.193 111.963 108.800 -0.050 0.000 2.645 1591 G HA2 -0.209 3.757 3.960 0.010 0.000 0.239 1591 G HA3 -0.209 3.757 3.960 0.010 0.000 0.239 1591 G C -0.860 173.997 174.900 -0.072 0.000 1.331 1591 G CA -0.284 44.738 45.100 -0.130 0.000 0.890 1591 G HN 0.432 nan 8.290 nan 0.000 0.572 1592 E N 0.310 120.455 120.200 -0.091 0.000 2.312 1592 E HA 0.431 4.788 4.350 0.010 0.000 0.267 1592 E C 0.013 176.552 176.600 -0.103 0.000 0.894 1592 E CA -0.910 55.432 56.400 -0.097 0.000 0.773 1592 E CB 1.471 31.123 29.700 -0.081 0.000 1.241 1592 E HN 0.565 nan 8.360 nan 0.000 0.432 1593 K N 2.070 122.395 120.400 -0.125 0.000 2.484 1593 K HA 0.123 4.449 4.320 0.010 0.000 0.280 1593 K C -1.883 174.674 176.600 -0.072 0.000 1.013 1593 K CA -0.776 55.441 56.287 -0.116 0.000 1.029 1593 K CB 0.101 32.521 32.500 -0.132 0.000 0.902 1593 K HN 0.116 nan 8.250 nan 0.000 0.481 1594 P HA 0.231 nan 4.420 nan 0.000 0.235 1594 P C -1.100 176.181 177.300 -0.031 0.000 1.870 1594 P CA -0.367 62.703 63.100 -0.051 0.000 1.086 1594 P CB 0.272 31.953 31.700 -0.032 0.000 1.797 1595 N N 0.524 119.202 118.700 -0.038 0.000 2.338 1595 N HA 0.139 4.885 4.740 0.010 0.000 0.251 1595 N C 0.340 175.844 175.510 -0.010 0.000 1.199 1595 N CA -0.265 52.773 53.050 -0.019 0.000 0.879 1595 N CB 0.960 39.430 38.487 -0.029 0.000 1.159 1595 N HN 0.181 nan 8.380 nan 0.000 0.514 1596 L N 0.644 121.860 121.223 -0.012 0.000 2.367 1596 L HA 0.077 4.423 4.340 0.010 0.000 0.215 1596 L C 0.706 177.637 176.870 0.101 0.000 1.197 1596 L CA 0.530 55.376 54.840 0.010 0.000 0.836 1596 L CB 0.204 42.214 42.059 -0.082 0.000 1.242 1596 L HN 0.018 nan 8.230 nan 0.000 0.553 1597 S N -2.606 113.192 115.700 0.163 0.000 2.579 1597 S HA 0.555 5.031 4.470 0.010 0.000 0.272 1597 S C -1.615 173.040 174.600 0.091 0.000 1.141 1597 S CA -0.611 57.701 58.200 0.186 0.000 0.843 1597 S CB 1.398 64.747 63.200 0.249 0.000 1.122 1597 S HN 0.179 nan 8.310 nan 0.000 0.468 1598 Y N 1.206 121.287 120.300 -0.366 0.000 2.387 1598 Y HA 0.585 5.141 4.550 0.010 0.000 0.336 1598 Y C 0.111 175.741 175.900 -0.450 0.000 1.067 1598 Y CA -0.969 56.762 58.100 -0.615 0.000 1.114 1598 Y CB 0.889 38.291 38.460 -1.763 0.000 1.208 1598 Y HN 0.409 nan 8.280 nan 0.000 0.458 1599 I N 4.781 125.245 120.570 -0.176 0.000 2.378 1599 I HA 0.299 4.475 4.170 0.010 0.000 0.291 1599 I C -0.271 175.862 176.117 0.025 0.000 0.992 1599 I CA -0.662 60.550 61.300 -0.146 0.000 1.154 1599 I CB 1.591 39.393 38.000 -0.330 0.000 1.315 1599 I HN 0.533 nan 8.210 nan 0.000 0.448 1600 I N 5.302 125.937 120.570 0.108 0.000 2.396 1600 I HA 0.343 4.519 4.170 0.010 0.000 0.289 1600 I C 0.777 176.913 176.117 0.030 0.000 1.056 1600 I CA 0.444 61.822 61.300 0.130 0.000 1.365 1600 I CB 1.253 39.360 38.000 0.178 0.000 1.407 1600 I HN 0.784 nan 8.210 nan 0.000 0.509 1601 G N 5.797 114.591 108.800 -0.010 0.000 3.253 1601 G HA2 0.245 4.211 3.960 0.010 0.000 0.175 1601 G HA3 0.245 4.211 3.960 0.010 0.000 0.175 1601 G C 0.348 175.210 174.900 -0.064 0.000 1.098 1601 G CA -0.292 44.784 45.100 -0.040 0.000 0.790 1601 G HN 0.531 nan 8.290 nan 0.000 0.648 1602 K N 0.154 120.515 120.400 -0.064 0.000 1.974 1602 K HA 0.033 4.359 4.320 0.010 0.000 0.211 1602 K C 0.770 177.313 176.600 -0.095 0.000 1.039 1602 K CA 1.459 57.704 56.287 -0.071 0.000 0.947 1602 K CB -0.387 32.086 32.500 -0.045 0.000 0.735 1602 K HN 0.268 nan 8.250 nan 0.000 0.441 1603 D N 2.241 122.597 120.400 -0.074 0.000 2.396 1603 D HA 0.004 4.650 4.640 0.010 0.000 0.255 1603 D C -0.293 175.888 176.300 -0.199 0.000 1.224 1603 D CA 0.488 54.436 54.000 -0.087 0.000 0.894 1603 D CB -0.196 40.600 40.800 -0.006 0.000 0.939 1603 D HN 0.211 nan 8.370 nan 0.000 0.506 1604 T N 0.554 114.981 114.554 -0.211 0.000 2.855 1604 T HA 0.211 4.567 4.350 0.010 0.000 0.281 1604 T C -0.485 174.004 174.700 -0.353 0.000 1.007 1604 T CA -0.809 61.154 62.100 -0.229 0.000 1.009 1604 T CB 2.103 70.940 68.868 -0.052 0.000 0.983 1604 T HN 0.158 nan 8.240 nan 0.000 0.455 1605 W N 3.495 124.365 121.300 -0.718 0.000 2.520 1605 W HA 0.637 5.303 4.660 0.010 0.000 0.323 1605 W C -1.833 174.477 176.519 -0.349 0.000 1.062 1605 W CA -0.899 56.030 57.345 -0.694 0.000 1.215 1605 W CB 1.145 29.827 29.460 -1.296 0.000 1.340 1605 W HN 0.372 nan 8.180 nan 0.000 0.516 1606 V N 4.699 124.326 119.914 -0.479 0.000 2.668 1606 V HA 0.254 4.380 4.120 0.010 0.000 0.304 1606 V C -1.200 174.781 176.094 -0.188 0.000 1.071 1606 V CA -0.660 61.530 62.300 -0.183 0.000 0.894 1606 V CB 1.718 33.423 31.823 -0.198 0.000 1.008 1606 V HN 0.490 nan 8.190 nan 0.000 0.425 1607 E N 2.362 122.652 120.200 0.151 0.000 2.378 1607 E HA 0.356 4.712 4.350 0.010 0.000 0.282 1607 E C -0.586 176.169 176.600 0.259 0.000 0.910 1607 E CA -0.570 55.963 56.400 0.222 0.000 0.816 1607 E CB 0.952 30.972 29.700 0.533 0.000 1.359 1607 E HN 0.838 nan 8.360 nan 0.000 0.397 1608 H N 3.178 122.304 119.070 0.093 0.000 3.135 1608 H HA -0.017 4.545 4.556 0.010 0.000 0.345 1608 H C -1.002 174.368 175.328 0.071 0.000 1.112 1608 H CA 1.267 57.294 56.048 -0.035 0.000 1.349 1608 H CB 0.511 30.201 29.762 -0.119 0.000 1.262 1608 H HN 0.485 nan 8.280 nan 0.000 0.603 1609 W N 6.650 127.471 121.300 -0.799 0.000 2.554 1609 W HA 0.296 4.962 4.660 0.010 0.000 0.324 1609 W C -3.017 173.079 176.519 -0.706 0.000 1.018 1609 W CA -2.488 54.618 57.345 -0.398 0.000 1.243 1609 W CB 1.844 31.182 29.460 -0.204 0.000 1.345 1609 W HN 0.554 nan 8.180 nan 0.000 0.441 1610 P HA 0.058 nan 4.420 nan 0.000 0.287 1610 P C -0.021 177.352 177.300 0.123 0.000 1.294 1610 P CA 0.308 63.603 63.100 0.325 0.000 0.776 1610 P CB 0.798 32.607 31.700 0.181 0.000 0.889 1611 E N 2.484 122.761 120.200 0.128 0.000 2.677 1611 E HA -0.230 4.127 4.350 0.010 0.000 0.283 1611 E C 0.200 176.838 176.600 0.063 0.000 1.105 1611 E CA 0.654 57.092 56.400 0.065 0.000 1.043 1611 E CB 0.532 30.255 29.700 0.038 0.000 1.073 1611 E HN 0.364 nan 8.360 nan 0.000 0.467 1612 E N 1.049 121.271 120.200 0.037 0.000 2.482 1612 E HA -0.066 4.290 4.350 0.010 0.000 0.196 1612 E C 0.283 176.895 176.600 0.020 0.000 1.047 1612 E CA 0.693 57.118 56.400 0.042 0.000 0.869 1612 E CB 0.247 29.962 29.700 0.026 0.000 0.836 1612 E HN 0.363 nan 8.360 nan 0.000 0.520 1613 D N -0.028 120.380 120.400 0.013 0.000 2.367 1613 D HA 0.013 4.659 4.640 0.010 0.000 0.207 1613 D C 0.587 176.894 176.300 0.010 0.000 1.034 1613 D CA 0.355 54.361 54.000 0.009 0.000 0.861 1613 D CB 0.335 41.139 40.800 0.007 0.000 0.943 1613 D HN 0.247 nan 8.370 nan 0.000 0.515 1614 E N -0.658 119.551 120.200 0.016 0.000 2.501 1614 E HA 0.096 4.452 4.350 0.010 0.000 0.201 1614 E C 1.011 177.610 176.600 -0.001 0.000 1.016 1614 E CA -0.134 56.273 56.400 0.011 0.000 0.920 1614 E CB 0.445 30.161 29.700 0.027 0.000 1.023 1614 E HN 0.080 nan 8.360 nan 0.000 0.474 1615 c N 1.758 120.356 118.600 -0.002 0.000 2.539 1615 c HA 0.005 4.581 4.570 0.010 0.000 0.268 1615 c C 2.251 176.330 174.090 -0.018 0.000 1.395 1615 c CA 0.273 56.590 56.329 -0.021 0.000 1.757 1615 c CB -0.312 42.194 42.510 -0.007 0.000 1.851 1615 c HN 0.449 nan 8.230 nan 0.000 0.545 1616 Q N 0.612 120.406 119.800 -0.009 0.000 2.013 1616 Q HA 0.019 4.366 4.340 0.010 0.000 0.195 1616 Q C 0.757 176.749 176.000 -0.013 0.000 0.974 1616 Q CA 0.660 56.458 55.803 -0.008 0.000 0.826 1616 Q CB -1.179 27.557 28.738 -0.003 0.000 0.895 1616 Q HN 0.502 nan 8.270 nan 0.000 0.448 1617 D N 2.883 123.276 120.400 -0.013 0.000 2.973 1617 D HA -0.152 4.494 4.640 0.010 0.000 0.214 1617 D C 0.488 176.775 176.300 -0.021 0.000 1.079 1617 D CA 0.408 54.398 54.000 -0.017 0.000 0.797 1617 D CB 0.463 41.252 40.800 -0.019 0.000 1.168 1617 D HN 0.306 nan 8.370 nan 0.000 0.515 1618 E N 2.211 122.399 120.200 -0.020 0.000 2.365 1618 E HA -0.047 4.309 4.350 0.010 0.000 0.188 1618 E C 0.375 176.960 176.600 -0.025 0.000 1.102 1618 E CA 0.269 56.656 56.400 -0.020 0.000 0.927 1618 E CB 0.156 29.847 29.700 -0.016 0.000 1.073 1618 E HN 0.457 nan 8.360 nan 0.000 0.467 1619 E N 0.516 120.698 120.200 -0.030 0.000 2.421 1619 E HA 0.097 4.453 4.350 0.010 0.000 0.209 1619 E C 0.975 177.548 176.600 -0.045 0.000 0.871 1619 E CA 0.160 56.539 56.400 -0.035 0.000 1.064 1619 E CB 0.396 30.075 29.700 -0.035 0.000 1.075 1619 E HN 0.226 nan 8.360 nan 0.000 0.513 1620 N N 0.516 119.186 118.700 -0.050 0.000 2.521 1620 N HA -0.045 4.701 4.740 0.010 0.000 0.188 1620 N C 1.321 176.786 175.510 -0.074 0.000 1.146 1620 N CA 0.152 53.163 53.050 -0.065 0.000 0.893 1620 N CB 0.216 38.666 38.487 -0.062 0.000 0.975 1620 N HN 0.117 nan 8.380 nan 0.000 0.451 1621 Q N 0.346 120.112 119.800 -0.056 0.000 2.119 1621 Q HA -0.117 4.230 4.340 0.010 0.000 0.201 1621 Q C 1.746 177.713 176.000 -0.055 0.000 0.972 1621 Q CA 1.015 56.787 55.803 -0.051 0.000 0.847 1621 Q CB 0.124 28.842 28.738 -0.034 0.000 0.903 1621 Q HN 0.092 nan 8.270 nan 0.000 0.433 1622 K N 1.101 121.471 120.400 -0.051 0.000 2.062 1622 K HA -0.142 4.184 4.320 0.010 0.000 0.205 1622 K C 1.828 178.388 176.600 -0.065 0.000 1.051 1622 K CA 1.407 57.667 56.287 -0.045 0.000 0.941 1622 K CB -0.138 32.343 32.500 -0.033 0.000 0.719 1622 K HN 0.138 nan 8.250 nan 0.000 0.440 1623 Q N -0.755 118.991 119.800 -0.089 0.000 2.083 1623 Q HA -0.101 4.245 4.340 0.010 0.000 0.198 1623 Q C 1.277 177.140 176.000 -0.229 0.000 0.969 1623 Q CA 1.430 57.155 55.803 -0.130 0.000 0.838 1623 Q CB -0.229 28.435 28.738 -0.124 0.000 0.900 1623 Q HN 0.349 nan 8.270 nan 0.000 0.436 1624 c N 1.400 119.847 118.600 -0.255 0.000 2.511 1624 c HA 0.042 4.618 4.570 0.010 0.000 0.300 1624 c C 0.689 174.663 174.090 -0.194 0.000 1.436 1624 c CA 0.481 56.599 56.329 -0.351 0.000 1.628 1624 c CB -1.159 41.193 42.510 -0.263 0.000 1.599 1624 c HN 0.478 nan 8.230 nan 0.000 0.599 1625 Q N -1.234 118.486 119.800 -0.133 0.000 1.989 1625 Q HA 0.099 4.445 4.340 0.010 0.000 0.215 1625 Q C -0.173 175.813 176.000 -0.024 0.000 0.809 1625 Q CA 0.007 55.781 55.803 -0.049 0.000 1.024 1625 Q CB 0.544 29.264 28.738 -0.030 0.000 1.236 1625 Q HN 0.514 nan 8.270 nan 0.000 0.429 1626 D N -0.153 120.218 120.400 -0.048 0.000 2.954 1626 D HA 0.076 4.722 4.640 0.010 0.000 0.266 1626 D C 1.667 177.992 176.300 0.042 0.000 1.277 1626 D CA -0.088 53.913 54.000 0.003 0.000 1.130 1626 D CB 0.057 40.847 40.800 -0.017 0.000 1.440 1626 D HN 0.018 nan 8.370 nan 0.000 0.427 1627 L N 1.559 122.738 121.223 -0.072 0.000 2.103 1627 L HA -0.185 4.161 4.340 0.010 0.000 0.215 1627 L C 2.206 179.170 176.870 0.157 0.000 1.080 1627 L CA 1.912 56.711 54.840 -0.068 0.000 0.764 1627 L CB -0.375 41.293 42.059 -0.652 0.000 0.890 1627 L HN 0.162 nan 8.230 nan 0.000 0.435 1628 G N -1.789 107.041 108.800 0.049 0.000 2.650 1628 G HA2 0.016 3.983 3.960 0.010 0.000 0.214 1628 G HA3 0.016 3.983 3.960 0.010 0.000 0.214 1628 G C 1.207 176.207 174.900 0.167 0.000 1.136 1628 G CA 0.563 45.764 45.100 0.169 0.000 0.789 1628 G HN 0.479 nan 8.290 nan 0.000 0.536 1629 A N -0.902 122.008 122.820 0.149 0.000 2.465 1629 A HA 0.603 4.929 4.320 0.010 0.000 0.255 1629 A C 1.178 178.857 177.584 0.160 0.000 1.274 1629 A CA -0.279 51.832 52.037 0.124 0.000 0.920 1629 A CB 0.009 19.055 19.000 0.077 0.000 1.033 1629 A HN 0.305 nan 8.150 nan 0.000 0.516 1630 F N -0.491 119.501 119.950 0.071 0.000 2.484 1630 F HA 0.088 4.621 4.527 0.010 0.000 0.268 1630 F C 2.259 178.114 175.800 0.091 0.000 0.965 1630 F CA 1.734 59.769 58.000 0.058 0.000 1.119 1630 F CB -0.251 38.782 39.000 0.054 0.000 1.153 1630 F HN 0.093 nan 8.300 nan 0.000 0.689 1631 T N 0.535 115.346 114.554 0.428 0.000 2.624 1631 T HA -0.283 4.073 4.350 0.010 0.000 0.268 1631 T C 1.792 176.538 174.700 0.077 0.000 1.041 1631 T CA 2.197 64.448 62.100 0.251 0.000 1.159 1631 T CB -0.475 68.582 68.868 0.315 0.000 0.863 1631 T HN 0.354 nan 8.240 nan 0.000 0.434 1632 E N 0.107 120.381 120.200 0.124 0.000 2.118 1632 E HA -0.125 4.231 4.350 0.010 0.000 0.195 1632 E C 2.411 179.056 176.600 0.076 0.000 0.992 1632 E CA 1.019 57.475 56.400 0.092 0.000 0.804 1632 E CB -0.159 29.610 29.700 0.114 0.000 0.741 1632 E HN 0.365 nan 8.360 nan 0.000 0.458 1633 S N -0.665 115.048 115.700 0.022 0.000 2.419 1633 S HA -0.110 4.367 4.470 0.010 0.000 0.233 1633 S C 1.729 176.306 174.600 -0.038 0.000 1.016 1633 S CA 0.814 59.008 58.200 -0.012 0.000 0.974 1633 S CB 0.094 63.208 63.200 -0.142 0.000 0.786 1633 S HN 0.153 nan 8.310 nan 0.000 0.492 1634 M N 0.127 119.626 119.600 -0.169 0.000 2.530 1634 M HA 0.125 4.611 4.480 0.010 0.000 0.245 1634 M C 2.186 178.456 176.300 -0.050 0.000 1.198 1634 M CA 0.755 55.942 55.300 -0.188 0.000 1.225 1634 M CB -1.536 30.843 32.600 -0.370 0.000 1.232 1634 M HN 0.142 nan 8.290 nan 0.000 0.494 1635 V N 1.004 120.901 119.914 -0.028 0.000 2.240 1635 V HA -0.372 3.754 4.120 0.010 0.000 0.257 1635 V C 2.516 178.591 176.094 -0.032 0.000 1.067 1635 V CA 2.562 64.858 62.300 -0.008 0.000 1.067 1635 V CB -1.377 30.450 31.823 0.008 0.000 0.683 1635 V HN 0.243 nan 8.190 nan 0.000 0.461 1636 V N -0.617 119.267 119.914 -0.051 0.000 2.232 1636 V HA -0.286 3.840 4.120 0.010 0.000 0.241 1636 V C 1.977 177.947 176.094 -0.207 0.000 1.036 1636 V CA 2.841 65.037 62.300 -0.173 0.000 0.993 1636 V CB -0.884 30.782 31.823 -0.261 0.000 0.639 1636 V HN 0.436 nan 8.190 nan 0.000 0.459 1637 F N 0.751 120.662 119.950 -0.065 0.000 2.134 1637 F HA 0.158 4.691 4.527 0.010 0.000 0.299 1637 F C 2.235 177.986 175.800 -0.082 0.000 1.097 1637 F CA 1.571 59.529 58.000 -0.071 0.000 1.264 1637 F CB -1.087 37.864 39.000 -0.083 0.000 1.001 1637 F HN 0.426 nan 8.300 nan 0.000 0.479 1638 G N -1.047 107.799 108.800 0.076 0.000 3.639 1638 G HA2 -0.403 3.563 3.960 0.010 0.000 0.224 1638 G HA3 -0.403 3.563 3.960 0.010 0.000 0.224 1638 G C 0.295 175.166 174.900 -0.050 0.000 1.339 1638 G CA 0.397 45.488 45.100 -0.015 0.000 0.933 1638 G HN 0.681 nan 8.290 nan 0.000 0.568 1639 c N 0.757 119.351 118.600 -0.011 0.000 3.311 1639 c HA 0.711 5.287 4.570 0.010 0.000 0.325 1639 c C -0.651 173.429 174.090 -0.018 0.000 1.352 1639 c CA -0.038 56.263 56.329 -0.047 0.000 1.308 1639 c CB 1.096 43.572 42.510 -0.057 0.000 1.619 1639 c HN 0.402 nan 8.230 nan 0.000 0.469 1640 P HA -0.027 nan 4.420 nan 0.000 0.216 1640 P C 0.008 177.300 177.300 -0.014 0.000 1.153 1640 P CA 1.397 64.475 63.100 -0.036 0.000 0.848 1640 P CB 0.127 31.792 31.700 -0.057 0.000 0.787 1641 N N 0.000 118.688 118.700 -0.020 0.000 1.763 1641 N HA 0.000 4.746 4.740 0.010 0.000 0.220 1641 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 1641 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667