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 2ice_1_C DATA FIRST_RESID 1335 DATA SEQUENCE TcNKFDLKVT IKPAPXXXXX XXXXKNTMIL EIcTRYRGDQ DATMSILDIS DATA SEQUENCE MMTGFAPDTD DLKQLANGVD RYISKYELDK AFSDRNTLII YLDKVSHSED DATA SEQUENCE DcLAFKVHQY FNVELIQPGA VKVYAYYNLE EScTRFYHPE KEDGKLNKLc DATA SEQUENCE RDELcRCAEE NCFIQKXXDK VTLEERLDKA CEPGVDYVYK TRLVKVQLSN DATA SEQUENCE DFDEYIMAIE QTIKSGSDEV QVGQQRTFIS PIKCREALKL EEKKHYLMWG DATA SEQUENCE LSSDFWGEKP NLSYIIGKDT WVEHWPEEDE cQDEENQKQc QDLGAFTESM DATA SEQUENCE VVFGCPN 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 1335 T HA 0.000 nan 4.350 nan 0.000 0.228 1335 T C 0.000 174.717 174.700 0.029 0.000 1.109 1335 T CA 0.000 62.115 62.100 0.026 0.000 1.349 1335 T CB 0.000 68.877 68.868 0.015 0.000 0.612 1336 c N 4.009 122.628 118.600 0.031 0.000 2.865 1336 c HA 0.156 4.727 4.570 0.001 0.000 0.545 1336 c C 2.350 176.455 174.090 0.024 0.000 1.154 1336 c CA -0.726 55.632 56.329 0.048 0.000 1.375 1336 c CB -2.385 40.164 42.510 0.066 0.000 1.627 1336 c HN 0.985 nan 8.230 nan 0.000 0.623 1337 N N 2.064 120.769 118.700 0.009 0.000 2.231 1337 N HA -0.273 4.468 4.740 0.001 0.000 0.199 1337 N C 1.121 176.577 175.510 -0.090 0.000 0.965 1337 N CA 1.894 54.927 53.050 -0.028 0.000 0.919 1337 N CB -0.101 38.380 38.487 -0.010 0.000 1.067 1337 N HN 0.527 nan 8.380 nan 0.000 0.583 1338 K N -1.411 118.948 120.400 -0.068 0.000 2.440 1338 K HA 0.270 4.591 4.320 0.001 0.000 0.207 1338 K C -0.508 175.810 176.600 -0.470 0.000 1.112 1338 K CA -0.080 56.048 56.287 -0.264 0.000 1.036 1338 K CB 0.885 33.303 32.500 -0.137 0.000 0.935 1338 K HN 0.121 nan 8.250 nan 0.000 0.564 1339 F N 1.046 120.975 119.950 -0.036 0.000 2.574 1339 F HA 0.253 4.780 4.527 0.001 0.000 0.313 1339 F C -0.350 175.417 175.800 -0.054 0.000 1.130 1339 F CA -1.172 56.820 58.000 -0.013 0.000 0.936 1339 F CB 1.782 40.812 39.000 0.050 0.000 1.219 1339 F HN -0.246 nan 8.300 nan 0.000 0.445 1340 D N 3.349 123.801 120.400 0.087 0.000 2.277 1340 D HA 0.377 5.017 4.640 0.001 0.000 0.249 1340 D C -0.992 175.379 176.300 0.119 0.000 1.134 1340 D CA 0.017 54.053 54.000 0.061 0.000 0.863 1340 D CB 1.995 42.799 40.800 0.007 0.000 1.143 1340 D HN 0.242 nan 8.370 nan 0.000 0.458 1341 L N 2.614 123.883 121.223 0.078 0.000 2.376 1341 L HA 0.376 4.716 4.340 0.001 0.000 0.275 1341 L C -0.962 175.924 176.870 0.025 0.000 0.987 1341 L CA -0.474 54.393 54.840 0.045 0.000 0.828 1341 L CB 1.431 43.496 42.059 0.010 0.000 1.249 1341 L HN 0.121 nan 8.230 nan 0.000 0.409 1342 K N 3.808 124.217 120.400 0.016 0.000 2.450 1342 K HA 0.775 5.096 4.320 0.001 0.000 0.257 1342 K C -1.639 174.944 176.600 -0.028 0.000 0.953 1342 K CA -0.478 55.812 56.287 0.006 0.000 0.844 1342 K CB 1.936 34.446 32.500 0.017 0.000 1.103 1342 K HN 0.397 nan 8.250 nan 0.000 0.429 1343 V N 2.473 122.367 119.914 -0.035 0.000 2.531 1343 V HA 0.487 4.608 4.120 0.001 0.000 0.301 1343 V C -0.554 175.493 176.094 -0.078 0.000 1.034 1343 V CA -0.851 61.395 62.300 -0.091 0.000 0.865 1343 V CB 1.837 33.599 31.823 -0.103 0.000 0.995 1343 V HN 0.790 nan 8.190 nan 0.000 0.424 1344 T N 4.778 119.251 114.554 -0.135 0.000 2.908 1344 T HA 0.776 5.127 4.350 0.001 0.000 0.290 1344 T C -0.805 173.789 174.700 -0.177 0.000 1.034 1344 T CA -0.457 61.582 62.100 -0.101 0.000 1.010 1344 T CB 2.417 71.241 68.868 -0.073 0.000 1.068 1344 T HN 0.481 nan 8.240 nan 0.000 0.481 1345 I N 1.833 122.345 120.570 -0.098 0.000 2.418 1345 I HA 0.612 4.783 4.170 0.001 0.000 0.287 1345 I C -1.074 174.997 176.117 -0.077 0.000 1.008 1345 I CA -0.483 60.749 61.300 -0.114 0.000 1.104 1345 I CB 1.124 39.118 38.000 -0.009 0.000 1.264 1345 I HN 0.517 nan 8.210 nan 0.000 0.438 1346 K N 8.083 128.429 120.400 -0.091 0.000 2.469 1346 K HA 0.613 4.934 4.320 0.001 0.000 0.254 1346 K C -2.676 173.894 176.600 -0.050 0.000 0.939 1346 K CA -1.620 54.631 56.287 -0.059 0.000 0.812 1346 K CB 2.129 34.597 32.500 -0.053 0.000 1.301 1346 K HN 0.294 nan 8.250 nan 0.000 0.433 1347 P HA 0.053 nan 4.420 nan 0.000 0.272 1347 P C -1.027 176.271 177.300 -0.004 0.000 1.230 1347 P CA -0.424 62.672 63.100 -0.007 0.000 0.788 1347 P CB 0.715 32.417 31.700 0.004 0.000 0.949 1348 A N 3.677 126.505 122.820 0.012 0.000 2.454 1348 A HA 0.421 4.742 4.320 0.001 0.000 0.260 1348 A C -1.055 176.541 177.584 0.019 0.000 1.106 1348 A CA -0.758 51.288 52.037 0.015 0.000 0.780 1348 A CB -1.429 17.590 19.000 0.032 0.000 1.044 1348 A HN 0.505 nan 8.150 nan 0.000 0.498 1360 N N 1.757 120.498 118.700 0.069 0.000 2.762 1360 N HA 0.130 4.871 4.740 0.001 0.000 0.252 1360 N C -1.064 174.566 175.510 0.201 0.000 1.269 1360 N CA -0.212 52.904 53.050 0.111 0.000 0.799 1360 N CB 1.553 40.098 38.487 0.097 0.000 1.173 1360 N HN 0.227 nan 8.380 nan 0.000 0.516 1361 T N 0.408 115.073 114.554 0.185 0.000 2.899 1361 T HA 0.614 4.964 4.350 0.001 0.000 0.284 1361 T C 0.086 174.851 174.700 0.107 0.000 1.004 1361 T CA -0.350 61.851 62.100 0.167 0.000 1.043 1361 T CB 1.004 69.925 68.868 0.089 0.000 1.013 1361 T HN 0.281 nan 8.240 nan 0.000 0.518 1362 M N 1.526 121.156 119.600 0.049 0.000 2.683 1362 M HA 0.501 4.981 4.480 0.001 0.000 0.274 1362 M C -1.419 174.836 176.300 -0.074 0.000 1.272 1362 M CA -1.109 54.186 55.300 -0.009 0.000 0.833 1362 M CB 2.498 35.080 32.600 -0.030 0.000 1.708 1362 M HN 0.478 nan 8.290 nan 0.000 0.463 1363 I N 2.831 123.340 120.570 -0.103 0.000 2.355 1363 I HA 0.359 4.530 4.170 0.001 0.000 0.288 1363 I C -1.166 174.805 176.117 -0.244 0.000 0.999 1363 I CA -0.610 60.600 61.300 -0.150 0.000 1.163 1363 I CB 1.398 39.336 38.000 -0.104 0.000 1.316 1363 I HN 0.443 nan 8.210 nan 0.000 0.454 1364 L N 7.658 128.639 121.223 -0.402 0.000 2.287 1364 L HA 0.460 4.801 4.340 0.001 0.000 0.287 1364 L C -0.163 176.376 176.870 -0.552 0.000 1.022 1364 L CA 0.082 54.574 54.840 -0.580 0.000 0.814 1364 L CB 1.171 42.710 42.059 -0.866 0.000 1.217 1364 L HN 0.613 nan 8.230 nan 0.000 0.420 1365 E N 5.278 125.243 120.200 -0.392 0.000 2.165 1365 E HA 0.454 4.805 4.350 0.001 0.000 0.266 1365 E C -1.422 175.034 176.600 -0.240 0.000 0.889 1365 E CA -0.634 55.603 56.400 -0.271 0.000 0.756 1365 E CB 1.226 30.826 29.700 -0.166 0.000 1.131 1365 E HN 0.702 nan 8.360 nan 0.000 0.411 1366 I N 4.538 124.991 120.570 -0.195 0.000 2.355 1366 I HA 0.281 4.451 4.170 0.001 0.000 0.288 1366 I C -0.892 175.186 176.117 -0.066 0.000 0.999 1366 I CA -0.496 60.722 61.300 -0.136 0.000 1.163 1366 I CB 1.404 39.329 38.000 -0.125 0.000 1.316 1366 I HN 0.541 nan 8.210 nan 0.000 0.454 1367 c N 4.317 122.893 118.600 -0.041 0.000 2.316 1367 c HA 0.656 5.227 4.570 0.001 0.000 0.324 1367 c C 0.270 174.381 174.090 0.036 0.000 1.226 1367 c CA -0.453 55.878 56.329 0.003 0.000 1.450 1367 c CB 0.985 43.498 42.510 0.005 0.000 2.123 1367 c HN 0.748 nan 8.230 nan 0.000 0.454 1368 T N 4.018 118.613 114.554 0.067 0.000 2.886 1368 T HA 0.771 5.121 4.350 0.001 0.000 0.292 1368 T C -0.763 174.052 174.700 0.192 0.000 1.012 1368 T CA -0.323 61.850 62.100 0.121 0.000 0.982 1368 T CB 0.827 69.744 68.868 0.082 0.000 1.018 1368 T HN 0.827 nan 8.240 nan 0.000 0.451 1369 R N 1.611 122.260 120.500 0.248 0.000 2.752 1369 R HA 0.535 4.876 4.340 0.001 0.000 0.271 1369 R C -2.043 174.349 176.300 0.154 0.000 1.026 1369 R CA -0.854 55.425 56.100 0.298 0.000 0.901 1369 R CB 1.787 32.306 30.300 0.365 0.000 1.243 1369 R HN 0.670 nan 8.270 nan 0.000 0.463 1370 Y N 0.534 120.791 120.300 -0.071 0.000 2.509 1370 Y HA 0.564 5.115 4.550 0.001 0.000 0.341 1370 Y C -0.941 174.767 175.900 -0.321 0.000 1.038 1370 Y CA -0.869 57.004 58.100 -0.379 0.000 1.089 1370 Y CB 1.535 39.767 38.460 -0.381 0.000 1.241 1370 Y HN 0.370 nan 8.280 nan 0.000 0.468 1371 R N 2.768 122.590 120.500 -1.130 0.000 2.338 1371 R HA 0.592 4.933 4.340 0.001 0.000 0.317 1371 R C -0.681 175.162 176.300 -0.762 0.000 0.968 1371 R CA -0.352 55.294 56.100 -0.757 0.000 0.849 1371 R CB 1.279 31.234 30.300 -0.575 0.000 1.128 1371 R HN 1.053 nan 8.270 nan 0.000 0.448 1372 G N 2.697 111.297 108.800 -0.334 0.000 2.978 1372 G HA2 -0.162 3.799 3.960 0.001 0.000 0.193 1372 G HA3 -0.162 3.799 3.960 0.001 0.000 0.193 1372 G C -0.630 174.257 174.900 -0.020 0.000 1.038 1372 G CA -0.932 44.066 45.100 -0.170 0.000 1.103 1372 G HN 0.636 nan 8.290 nan 0.000 0.574 1373 D N 1.277 121.691 120.400 0.023 0.000 2.891 1373 D HA 0.081 4.721 4.640 0.001 0.000 0.223 1373 D C 1.168 177.527 176.300 0.097 0.000 1.109 1373 D CA 0.926 54.977 54.000 0.084 0.000 1.196 1373 D CB 0.238 41.080 40.800 0.069 0.000 1.188 1373 D HN 0.697 nan 8.370 nan 0.000 0.442 1374 Q N 0.225 120.108 119.800 0.138 0.000 2.340 1374 Q HA 0.313 4.654 4.340 0.001 0.000 0.268 1374 Q C -0.697 175.419 176.000 0.194 0.000 1.031 1374 Q CA -0.912 54.971 55.803 0.134 0.000 0.804 1374 Q CB 1.326 30.124 28.738 0.100 0.000 1.286 1374 Q HN -0.144 nan 8.270 nan 0.000 0.448 1375 D N 2.068 122.548 120.400 0.133 0.000 2.571 1375 D HA 0.218 4.859 4.640 0.001 0.000 0.231 1375 D C 0.060 176.340 176.300 -0.033 0.000 1.133 1375 D CA 0.465 54.520 54.000 0.093 0.000 0.862 1375 D CB 0.413 41.252 40.800 0.065 0.000 1.179 1375 D HN 0.709 nan 8.370 nan 0.000 0.474 1376 A N 2.269 124.907 122.820 -0.304 0.000 2.425 1376 A HA 0.455 4.776 4.320 0.001 0.000 0.242 1376 A C 1.028 178.552 177.584 -0.099 0.000 1.077 1376 A CA -0.308 51.434 52.037 -0.492 0.000 0.781 1376 A CB 0.054 18.514 19.000 -0.901 0.000 1.020 1376 A HN 0.631 nan 8.150 nan 0.000 0.494 1377 T N -0.046 114.530 114.554 0.037 0.000 2.914 1377 T HA 0.485 4.836 4.350 0.001 0.000 0.313 1377 T C 0.628 175.424 174.700 0.161 0.000 1.137 1377 T CA -0.597 61.579 62.100 0.128 0.000 0.946 1377 T CB -0.104 68.898 68.868 0.223 0.000 1.558 1377 T HN 0.526 nan 8.240 nan 0.000 0.565 1378 M N 1.751 121.457 119.600 0.176 0.000 2.234 1378 M HA 0.033 4.513 4.480 0.001 0.000 0.409 1378 M C -0.154 176.266 176.300 0.199 0.000 1.378 1378 M CA 0.945 56.338 55.300 0.155 0.000 0.815 1378 M CB -0.594 32.045 32.600 0.066 0.000 1.971 1378 M HN 0.706 nan 8.290 nan 0.000 0.506 1379 S N 3.176 118.928 115.700 0.087 0.000 2.704 1379 S HA 0.854 5.325 4.470 0.001 0.000 0.296 1379 S C -1.154 173.352 174.600 -0.157 0.000 1.138 1379 S CA -0.772 57.399 58.200 -0.049 0.000 0.875 1379 S CB 1.552 64.713 63.200 -0.066 0.000 1.151 1379 S HN 0.493 nan 8.310 nan 0.000 0.500 1380 I N 1.303 121.599 120.570 -0.456 0.000 2.533 1380 I HA 0.448 4.619 4.170 0.001 0.000 0.290 1380 I C -1.272 174.509 176.117 -0.560 0.000 1.056 1380 I CA -0.106 60.846 61.300 -0.579 0.000 1.057 1380 I CB 1.645 39.122 38.000 -0.872 0.000 1.240 1380 I HN 0.393 nan 8.210 nan 0.000 0.423 1381 L N 5.523 126.509 121.223 -0.394 0.000 2.301 1381 L HA 0.414 4.754 4.340 0.001 0.000 0.278 1381 L C -0.763 175.970 176.870 -0.228 0.000 1.022 1381 L CA -0.419 54.258 54.840 -0.271 0.000 0.854 1381 L CB 0.966 42.920 42.059 -0.175 0.000 1.226 1381 L HN 0.508 nan 8.230 nan 0.000 0.429 1382 D N 5.511 125.818 120.400 -0.155 0.000 2.317 1382 D HA 0.375 5.016 4.640 0.001 0.000 0.234 1382 D C -0.607 175.682 176.300 -0.018 0.000 1.112 1382 D CA -0.128 53.827 54.000 -0.076 0.000 0.840 1382 D CB 1.016 41.821 40.800 0.007 0.000 1.078 1382 D HN 0.272 nan 8.370 nan 0.000 0.486 1383 I N 2.648 123.225 120.570 0.011 0.000 2.433 1383 I HA 0.207 4.378 4.170 0.001 0.000 0.292 1383 I C 0.393 176.580 176.117 0.117 0.000 1.001 1383 I CA -0.728 60.630 61.300 0.096 0.000 1.119 1383 I CB 1.879 39.975 38.000 0.160 0.000 1.289 1383 I HN 0.311 nan 8.210 nan 0.000 0.438 1384 S N 6.571 122.361 115.700 0.151 0.000 2.578 1384 S HA 0.698 5.169 4.470 0.001 0.000 0.301 1384 S C -0.441 174.270 174.600 0.185 0.000 1.091 1384 S CA -0.989 57.294 58.200 0.139 0.000 1.032 1384 S CB 2.014 65.273 63.200 0.099 0.000 1.064 1384 S HN 0.390 nan 8.310 nan 0.000 0.508 1385 M N 1.885 121.587 119.600 0.171 0.000 2.444 1385 M HA 0.397 4.878 4.480 0.001 0.000 0.319 1385 M C 0.030 176.382 176.300 0.087 0.000 1.183 1385 M CA -0.406 55.016 55.300 0.204 0.000 1.032 1385 M CB 1.167 33.934 32.600 0.279 0.000 1.569 1385 M HN 0.720 nan 8.290 nan 0.000 0.468 1386 M N 1.240 120.856 119.600 0.026 0.000 2.245 1386 M HA 0.108 4.589 4.480 0.001 0.000 0.344 1386 M C 0.520 176.962 176.300 0.236 0.000 1.170 1386 M CA -0.145 55.163 55.300 0.012 0.000 1.135 1386 M CB -0.304 32.184 32.600 -0.187 0.000 1.574 1386 M HN 0.670 nan 8.290 nan 0.000 0.452 1387 T N -0.097 114.560 114.554 0.172 0.000 2.822 1387 T HA 0.294 4.645 4.350 0.001 0.000 0.288 1387 T C 1.146 175.950 174.700 0.173 0.000 0.991 1387 T CA 0.136 62.330 62.100 0.157 0.000 1.176 1387 T CB 0.038 68.966 68.868 0.100 0.000 0.951 1387 T HN 1.086 nan 8.240 nan 0.000 0.526 1388 G N 1.887 110.723 108.800 0.060 0.000 2.171 1388 G HA2 -0.170 3.791 3.960 0.001 0.000 0.238 1388 G HA3 -0.170 3.791 3.960 0.001 0.000 0.238 1388 G C -0.268 174.385 174.900 -0.410 0.000 1.039 1388 G CA -0.424 44.517 45.100 -0.265 0.000 0.759 1388 G HN 0.733 nan 8.290 nan 0.000 0.501 1389 F N -0.127 119.821 119.950 -0.004 0.000 2.588 1389 F HA 0.800 5.328 4.527 0.001 0.000 0.314 1389 F C 0.289 176.336 175.800 0.413 0.000 1.069 1389 F CA -0.135 57.987 58.000 0.205 0.000 0.931 1389 F CB 2.506 41.613 39.000 0.179 0.000 1.260 1389 F HN 0.508 nan 8.300 nan 0.000 0.465 1390 A N 2.954 126.181 122.820 0.679 0.000 2.520 1390 A HA 0.844 5.165 4.320 0.001 0.000 0.298 1390 A C -3.049 174.792 177.584 0.427 0.000 1.051 1390 A CA -1.863 50.463 52.037 0.482 0.000 0.690 1390 A CB 1.748 20.991 19.000 0.406 0.000 1.281 1390 A HN 0.342 nan 8.150 nan 0.000 0.402 1391 P HA 0.177 nan 4.420 nan 0.000 0.273 1391 P C -0.862 176.555 177.300 0.195 0.000 1.250 1391 P CA -0.194 63.012 63.100 0.176 0.000 0.793 1391 P CB 0.501 32.114 31.700 -0.145 0.000 1.011 1392 D N 0.013 120.581 120.400 0.279 0.000 2.339 1392 D HA 0.013 4.654 4.640 0.001 0.000 0.256 1392 D C 0.948 177.307 176.300 0.098 0.000 1.214 1392 D CA 0.288 54.498 54.000 0.350 0.000 0.877 1392 D CB 0.546 41.562 40.800 0.359 0.000 1.111 1392 D HN 0.303 nan 8.370 nan 0.000 0.478 1393 T N 1.725 116.318 114.554 0.065 0.000 2.685 1393 T HA -0.254 4.097 4.350 0.001 0.000 0.268 1393 T C 1.189 175.894 174.700 0.007 0.000 1.034 1393 T CA 1.317 63.399 62.100 -0.031 0.000 1.149 1393 T CB -0.092 68.792 68.868 0.026 0.000 0.860 1393 T HN 0.330 nan 8.240 nan 0.000 0.449 1394 D N 1.652 122.095 120.400 0.070 0.000 2.077 1394 D HA -0.039 4.602 4.640 0.001 0.000 0.193 1394 D C 2.067 178.393 176.300 0.045 0.000 0.989 1394 D CA 1.259 55.294 54.000 0.058 0.000 0.831 1394 D CB -0.731 40.117 40.800 0.080 0.000 0.979 1394 D HN 0.310 nan 8.370 nan 0.000 0.449 1395 D N -0.098 120.347 120.400 0.076 0.000 2.203 1395 D HA -0.151 4.489 4.640 0.001 0.000 0.199 1395 D C 2.128 178.436 176.300 0.013 0.000 0.997 1395 D CA 0.553 54.598 54.000 0.075 0.000 0.863 1395 D CB -0.233 40.653 40.800 0.144 0.000 0.928 1395 D HN 0.223 nan 8.370 nan 0.000 0.458 1396 L N 0.165 121.352 121.223 -0.059 0.000 2.005 1396 L HA -0.152 4.189 4.340 0.001 0.000 0.207 1396 L C 2.271 179.094 176.870 -0.077 0.000 1.072 1396 L CA 1.242 55.998 54.840 -0.140 0.000 0.744 1396 L CB -0.347 41.585 42.059 -0.211 0.000 0.895 1396 L HN -0.026 nan 8.230 nan 0.000 0.433 1397 K N -0.202 120.169 120.400 -0.048 0.000 2.103 1397 K HA -0.280 4.041 4.320 0.001 0.000 0.207 1397 K C 2.072 178.672 176.600 -0.001 0.000 1.048 1397 K CA 1.672 57.945 56.287 -0.022 0.000 0.930 1397 K CB -0.187 32.307 32.500 -0.009 0.000 0.716 1397 K HN 0.182 nan 8.250 nan 0.000 0.444 1398 Q N 1.391 121.197 119.800 0.009 0.000 2.020 1398 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 1398 Q C 1.896 177.910 176.000 0.024 0.000 0.982 1398 Q CA 1.527 57.344 55.803 0.023 0.000 0.838 1398 Q CB -0.276 28.484 28.738 0.037 0.000 0.899 1398 Q HN 0.299 nan 8.270 nan 0.000 0.423 1399 L N -0.062 121.172 121.223 0.017 0.000 2.046 1399 L HA -0.148 4.193 4.340 0.001 0.000 0.208 1399 L C 2.471 179.352 176.870 0.019 0.000 1.077 1399 L CA 1.132 55.985 54.840 0.022 0.000 0.747 1399 L CB -0.681 41.387 42.059 0.015 0.000 0.896 1399 L HN 0.419 nan 8.230 nan 0.000 0.432 1400 A N -0.193 122.628 122.820 0.002 0.000 1.930 1400 A HA -0.207 4.114 4.320 0.001 0.000 0.217 1400 A C 1.969 179.585 177.584 0.053 0.000 1.175 1400 A CA 1.920 53.969 52.037 0.020 0.000 0.627 1400 A CB -0.692 18.301 19.000 -0.011 0.000 0.815 1400 A HN 0.515 nan 8.150 nan 0.000 0.443 1401 N N -0.346 118.377 118.700 0.038 0.000 2.300 1401 N HA 0.021 4.761 4.740 0.001 0.000 0.179 1401 N C 1.021 176.555 175.510 0.039 0.000 1.016 1401 N CA 0.287 53.362 53.050 0.040 0.000 0.876 1401 N CB -0.133 38.371 38.487 0.030 0.000 0.979 1401 N HN 0.446 nan 8.380 nan 0.000 0.432 1402 G N 1.482 110.304 108.800 0.038 0.000 2.335 1402 G HA2 0.202 4.163 3.960 0.001 0.000 0.268 1402 G HA3 0.202 4.163 3.960 0.001 0.000 0.268 1402 G C 0.099 175.025 174.900 0.043 0.000 1.228 1402 G CA -0.194 44.928 45.100 0.036 0.000 0.968 1402 G HN 0.012 nan 8.290 nan 0.000 0.459 1403 V N 3.383 123.320 119.914 0.037 0.000 3.332 1403 V HA 0.091 4.212 4.120 0.001 0.000 0.305 1403 V C 1.242 177.361 176.094 0.041 0.000 1.114 1403 V CA 1.466 63.789 62.300 0.038 0.000 1.194 1403 V CB 0.778 32.615 31.823 0.023 0.000 1.027 1403 V HN 1.080 nan 8.190 nan 0.000 0.492 1404 D N 1.376 121.802 120.400 0.043 0.000 2.075 1404 D HA -0.123 4.518 4.640 0.001 0.000 0.168 1404 D C 0.375 176.717 176.300 0.070 0.000 1.113 1404 D CA 1.076 55.104 54.000 0.048 0.000 1.082 1404 D CB -0.315 40.510 40.800 0.043 0.000 1.171 1404 D HN 0.685 nan 8.370 nan 0.000 0.531 1405 R N -0.293 120.260 120.500 0.088 0.000 2.744 1405 R HA 0.584 4.924 4.340 0.001 0.000 0.279 1405 R C -1.214 175.200 176.300 0.191 0.000 0.977 1405 R CA -0.664 55.508 56.100 0.120 0.000 0.906 1405 R CB 2.234 32.581 30.300 0.079 0.000 1.197 1405 R HN 0.064 nan 8.270 nan 0.000 0.463 1406 Y N 2.668 123.016 120.300 0.080 0.000 2.421 1406 Y HA 0.560 5.111 4.550 0.001 0.000 0.339 1406 Y C -1.529 174.468 175.900 0.162 0.000 0.996 1406 Y CA -1.028 57.121 58.100 0.083 0.000 1.046 1406 Y CB 1.255 39.730 38.460 0.025 0.000 1.226 1406 Y HN 0.498 nan 8.280 nan 0.000 0.445 1407 I N 5.729 126.035 120.570 -0.440 0.000 2.466 1407 I HA 0.314 4.485 4.170 0.001 0.000 0.289 1407 I C -0.223 175.469 176.117 -0.708 0.000 1.026 1407 I CA -0.982 60.008 61.300 -0.517 0.000 1.078 1407 I CB 2.093 39.949 38.000 -0.240 0.000 1.249 1407 I HN 0.752 nan 8.210 nan 0.000 0.429 1408 S N 5.219 120.522 115.700 -0.661 0.000 2.572 1408 S HA 0.098 4.569 4.470 0.001 0.000 0.279 1408 S C 1.099 175.664 174.600 -0.057 0.000 1.341 1408 S CA -0.303 57.703 58.200 -0.323 0.000 1.043 1408 S CB 1.364 64.546 63.200 -0.030 0.000 0.887 1408 S HN 0.805 nan 8.310 nan 0.000 0.516 1409 K N 1.496 121.938 120.400 0.071 0.000 2.044 1409 K HA -0.245 4.076 4.320 0.001 0.000 0.210 1409 K C 1.859 178.498 176.600 0.065 0.000 1.049 1409 K CA 1.993 58.320 56.287 0.066 0.000 0.927 1409 K CB -0.527 32.031 32.500 0.096 0.000 0.713 1409 K HN 0.837 nan 8.250 nan 0.000 0.443 1410 Y N 1.347 121.642 120.300 -0.008 0.000 2.151 1410 Y HA -0.302 4.249 4.550 0.002 0.000 0.284 1410 Y C 2.177 178.053 175.900 -0.040 0.000 1.166 1410 Y CA 2.262 60.353 58.100 -0.014 0.000 1.163 1410 Y CB -0.070 38.393 38.460 0.005 0.000 0.974 1410 Y HN 0.254 nan 8.280 nan 0.000 0.511 1411 E N -0.325 119.947 120.200 0.122 0.000 2.152 1411 E HA -0.138 4.212 4.350 0.001 0.000 0.192 1411 E C 1.799 178.333 176.600 -0.109 0.000 0.983 1411 E CA 1.040 57.438 56.400 -0.004 0.000 0.818 1411 E CB -0.307 29.381 29.700 -0.020 0.000 0.758 1411 E HN 0.386 nan 8.360 nan 0.000 0.467 1412 L N 1.153 122.318 121.223 -0.096 0.000 2.044 1412 L HA -0.095 4.246 4.340 0.001 0.000 0.205 1412 L C 1.320 178.116 176.870 -0.124 0.000 1.075 1412 L CA 1.683 56.457 54.840 -0.110 0.000 0.747 1412 L CB -0.840 41.176 42.059 -0.071 0.000 0.903 1412 L HN 0.169 nan 8.230 nan 0.000 0.435 1413 D N -0.528 119.796 120.400 -0.127 0.000 2.378 1413 D HA -0.086 4.555 4.640 0.001 0.000 0.227 1413 D C 1.028 177.216 176.300 -0.187 0.000 1.012 1413 D CA 0.325 54.242 54.000 -0.139 0.000 0.905 1413 D CB -0.099 40.622 40.800 -0.133 0.000 0.895 1413 D HN 0.135 nan 8.370 nan 0.000 0.532 1414 K N 0.711 120.977 120.400 -0.222 0.000 2.258 1414 K HA 0.355 4.676 4.320 0.001 0.000 0.264 1414 K C -0.276 176.209 176.600 -0.191 0.000 1.007 1414 K CA -0.294 55.855 56.287 -0.230 0.000 0.941 1414 K CB 0.779 33.144 32.500 -0.225 0.000 0.966 1414 K HN -0.057 nan 8.250 nan 0.000 0.480 1415 A N 2.978 125.700 122.820 -0.163 0.000 2.316 1415 A HA 0.298 4.618 4.320 0.001 0.000 0.284 1415 A C 0.291 177.778 177.584 -0.162 0.000 1.115 1415 A CA -0.428 51.535 52.037 -0.123 0.000 0.812 1415 A CB 0.017 18.963 19.000 -0.089 0.000 1.064 1415 A HN 0.845 nan 8.150 nan 0.000 0.489 1416 F N 1.184 121.016 119.950 -0.198 0.000 2.373 1416 F HA -0.147 4.381 4.527 0.001 0.000 0.300 1416 F C 2.668 178.169 175.800 -0.500 0.000 1.080 1416 F CA 1.974 59.792 58.000 -0.304 0.000 1.417 1416 F CB -0.011 38.818 39.000 -0.285 0.000 1.070 1416 F HN 0.587 nan 8.300 nan 0.000 0.546 1417 S N -1.192 114.402 115.700 -0.176 0.000 2.356 1417 S HA -0.131 4.339 4.470 0.001 0.000 0.223 1417 S C 0.588 175.080 174.600 -0.180 0.000 1.032 1417 S CA 1.301 59.368 58.200 -0.221 0.000 1.005 1417 S CB -0.101 63.024 63.200 -0.126 0.000 0.867 1417 S HN 0.212 nan 8.310 nan 0.000 0.449 1418 D N 0.243 120.571 120.400 -0.120 0.000 2.472 1418 D HA 0.239 4.880 4.640 0.001 0.000 0.248 1418 D C -0.839 175.437 176.300 -0.040 0.000 1.271 1418 D CA -0.078 53.898 54.000 -0.040 0.000 0.888 1418 D CB 0.758 41.547 40.800 -0.019 0.000 1.337 1418 D HN 0.154 nan 8.370 nan 0.000 0.526 1419 R N 2.550 123.036 120.500 -0.023 0.000 2.644 1419 R HA 0.100 4.441 4.340 0.001 0.000 0.271 1419 R C 0.335 176.670 176.300 0.059 0.000 1.687 1419 R CA -0.277 55.807 56.100 -0.027 0.000 1.655 1419 R CB 0.014 30.232 30.300 -0.137 0.000 1.285 1419 R HN 0.096 nan 8.270 nan 0.000 0.643 1420 N N -0.349 118.411 118.700 0.099 0.000 2.373 1420 N HA -0.054 4.686 4.740 0.001 0.000 0.181 1420 N C 0.416 175.993 175.510 0.112 0.000 1.082 1420 N CA 0.275 53.410 53.050 0.141 0.000 0.885 1420 N CB 0.468 39.050 38.487 0.158 0.000 0.977 1420 N HN 0.379 nan 8.380 nan 0.000 0.462 1421 T N -1.659 112.940 114.554 0.076 0.000 2.949 1421 T HA 0.703 5.053 4.350 0.001 0.000 0.287 1421 T C -0.649 174.065 174.700 0.023 0.000 1.034 1421 T CA -0.837 61.299 62.100 0.060 0.000 1.018 1421 T CB 1.800 70.700 68.868 0.054 0.000 1.135 1421 T HN 0.125 nan 8.240 nan 0.000 0.532 1422 L N 0.122 121.344 121.223 -0.001 0.000 2.700 1422 L HA 0.687 5.027 4.340 0.001 0.000 0.255 1422 L C -2.306 174.502 176.870 -0.104 0.000 0.933 1422 L CA -0.673 54.130 54.840 -0.062 0.000 0.920 1422 L CB 1.401 43.403 42.059 -0.096 0.000 1.472 1422 L HN 0.896 nan 8.230 nan 0.000 0.426 1423 I N 5.236 125.699 120.570 -0.179 0.000 2.439 1423 I HA 0.502 4.673 4.170 0.001 0.000 0.285 1423 I C -0.673 175.190 176.117 -0.423 0.000 1.021 1423 I CA -0.335 60.766 61.300 -0.331 0.000 1.091 1423 I CB 1.776 39.504 38.000 -0.453 0.000 1.242 1423 I HN 0.473 nan 8.210 nan 0.000 0.439 1424 I N 6.362 126.716 120.570 -0.361 0.000 2.336 1424 I HA 0.290 4.461 4.170 0.001 0.000 0.292 1424 I C -0.802 175.120 176.117 -0.325 0.000 0.991 1424 I CA -0.507 60.633 61.300 -0.267 0.000 1.227 1424 I CB 0.695 38.620 38.000 -0.126 0.000 1.366 1424 I HN 0.374 nan 8.210 nan 0.000 0.466 1425 Y N 6.403 126.662 120.300 -0.069 0.000 2.308 1425 Y HA 0.542 5.093 4.550 0.001 0.000 0.329 1425 Y C -0.107 175.797 175.900 0.007 0.000 1.111 1425 Y CA -0.605 57.485 58.100 -0.017 0.000 1.179 1425 Y CB 0.979 39.495 38.460 0.093 0.000 1.201 1425 Y HN 0.298 nan 8.280 nan 0.000 0.483 1426 L N 3.104 124.401 121.223 0.124 0.000 2.333 1426 L HA 0.379 4.720 4.340 0.001 0.000 0.280 1426 L C 0.102 177.026 176.870 0.090 0.000 1.004 1426 L CA -0.711 54.178 54.840 0.082 0.000 0.820 1426 L CB 1.649 43.726 42.059 0.029 0.000 1.247 1426 L HN 0.604 nan 8.230 nan 0.000 0.416 1427 D N 1.574 122.021 120.400 0.079 0.000 2.218 1427 D HA -0.108 4.533 4.640 0.001 0.000 0.204 1427 D C 0.110 176.441 176.300 0.052 0.000 0.976 1427 D CA 1.563 55.596 54.000 0.055 0.000 0.853 1427 D CB 0.239 41.062 40.800 0.039 0.000 0.939 1427 D HN 0.546 nan 8.370 nan 0.000 0.481 1428 K N -2.298 118.134 120.400 0.054 0.000 2.617 1428 K HA 0.624 4.945 4.320 0.001 0.000 0.293 1428 K C -1.657 174.981 176.600 0.062 0.000 1.034 1428 K CA -1.179 55.138 56.287 0.051 0.000 0.884 1428 K CB 2.032 34.558 32.500 0.044 0.000 1.541 1428 K HN -0.181 nan 8.250 nan 0.000 0.409 1429 V N -0.504 119.450 119.914 0.067 0.000 2.818 1429 V HA 0.513 4.634 4.120 0.001 0.000 0.283 1429 V C -1.068 175.111 176.094 0.142 0.000 1.366 1429 V CA 0.381 62.755 62.300 0.123 0.000 0.934 1429 V CB 1.251 33.186 31.823 0.186 0.000 1.100 1429 V HN 1.032 nan 8.190 nan 0.000 0.447 1430 S N 4.175 119.980 115.700 0.175 0.000 3.651 1430 S HA 0.545 5.016 4.470 0.001 0.000 0.201 1430 S C 0.667 175.460 174.600 0.323 0.000 1.028 1430 S CA 1.112 59.453 58.200 0.236 0.000 1.564 1430 S CB 0.882 64.180 63.200 0.164 0.000 0.787 1430 S HN 1.327 nan 8.310 nan 0.000 0.627 1431 H N -1.098 118.040 119.070 0.113 0.000 3.861 1431 H HA 0.442 4.999 4.556 0.001 0.000 0.266 1431 H C 1.513 176.867 175.328 0.043 0.000 1.134 1431 H CA 0.725 56.813 56.048 0.068 0.000 1.195 1431 H CB -0.487 29.287 29.762 0.020 0.000 1.552 1431 H HN 0.353 nan 8.280 nan 0.000 0.840 1432 S N 0.500 116.203 115.700 0.004 0.000 2.390 1432 S HA -0.219 4.252 4.470 0.001 0.000 0.234 1432 S C 0.593 175.125 174.600 -0.113 0.000 1.063 1432 S CA 2.230 60.394 58.200 -0.060 0.000 1.108 1432 S CB 0.067 63.266 63.200 -0.001 0.000 0.975 1432 S HN 0.603 nan 8.310 nan 0.000 0.442 1433 E N 0.014 120.185 120.200 -0.048 0.000 2.549 1433 E HA 0.563 4.914 4.350 0.001 0.000 0.200 1433 E C -1.287 175.332 176.600 0.031 0.000 0.732 1433 E CA -0.772 55.607 56.400 -0.036 0.000 0.987 1433 E CB 0.298 29.997 29.700 -0.000 0.000 1.810 1433 E HN -0.098 nan 8.360 nan 0.000 0.377 1434 D N 0.385 120.817 120.400 0.055 0.000 2.278 1434 D HA 0.344 4.985 4.640 0.001 0.000 0.245 1434 D C -1.214 175.130 176.300 0.073 0.000 1.052 1434 D CA -0.507 53.550 54.000 0.095 0.000 0.834 1434 D CB 1.120 41.967 40.800 0.077 0.000 1.194 1434 D HN 0.135 nan 8.370 nan 0.000 0.481 1435 D N 1.270 121.723 120.400 0.089 0.000 2.316 1435 D HA 0.233 4.874 4.640 0.001 0.000 0.245 1435 D C -0.449 175.879 176.300 0.047 0.000 1.171 1435 D CA -0.022 54.017 54.000 0.065 0.000 0.856 1435 D CB 0.487 41.332 40.800 0.075 0.000 1.090 1435 D HN 0.174 nan 8.370 nan 0.000 0.476 1436 c N 3.190 121.808 118.600 0.030 0.000 2.456 1436 c HA 0.782 5.353 4.570 0.001 0.000 0.325 1436 c C -0.255 173.839 174.090 0.006 0.000 1.217 1436 c CA -0.789 55.546 56.329 0.010 0.000 1.687 1436 c CB 0.174 42.685 42.510 0.001 0.000 2.270 1436 c HN 0.566 nan 8.230 nan 0.000 0.499 1437 L N 1.189 122.406 121.223 -0.009 0.000 2.359 1437 L HA 1.115 5.455 4.340 0.001 0.000 0.256 1437 L C -0.519 176.321 176.870 -0.049 0.000 1.026 1437 L CA -0.719 54.124 54.840 0.006 0.000 0.828 1437 L CB 1.459 43.550 42.059 0.053 0.000 1.406 1437 L HN 0.813 nan 8.230 nan 0.000 0.413 1438 A N 0.780 123.584 122.820 -0.027 0.000 2.589 1438 A HA 0.896 5.217 4.320 0.001 0.000 0.296 1438 A C -1.400 176.176 177.584 -0.013 0.000 1.062 1438 A CA -0.412 51.535 52.037 -0.150 0.000 0.686 1438 A CB 1.189 20.112 19.000 -0.129 0.000 1.282 1438 A HN 1.273 nan 8.150 nan 0.000 0.404 1439 F N -0.866 119.048 119.950 -0.060 0.000 2.662 1439 F HA 0.773 5.301 4.527 0.001 0.000 0.312 1439 F C -0.466 175.306 175.800 -0.047 0.000 1.113 1439 F CA -1.156 56.821 58.000 -0.038 0.000 0.951 1439 F CB 1.410 40.394 39.000 -0.026 0.000 1.344 1439 F HN 0.404 nan 8.300 nan 0.000 0.462 1440 K N 1.870 122.406 120.400 0.226 0.000 2.276 1440 K HA 0.564 4.885 4.320 0.001 0.000 0.283 1440 K C -0.948 175.727 176.600 0.124 0.000 1.044 1440 K CA -0.759 55.559 56.287 0.052 0.000 0.944 1440 K CB 1.598 34.086 32.500 -0.020 0.000 1.012 1440 K HN 0.622 nan 8.250 nan 0.000 0.472 1441 V N 0.839 120.778 119.914 0.042 0.000 2.384 1441 V HA 0.351 4.472 4.120 0.001 0.000 0.287 1441 V C -0.437 175.799 176.094 0.236 0.000 1.020 1441 V CA -0.868 61.571 62.300 0.232 0.000 0.850 1441 V CB 1.102 33.089 31.823 0.273 0.000 0.987 1441 V HN 0.665 nan 8.190 nan 0.000 0.436 1442 H N 3.583 122.947 119.070 0.491 0.000 2.467 1442 H HA 0.408 4.965 4.556 0.001 0.000 0.326 1442 H C -0.438 175.021 175.328 0.217 0.000 1.094 1442 H CA -0.264 55.999 56.048 0.360 0.000 1.253 1442 H CB 2.194 32.127 29.762 0.285 0.000 1.439 1442 H HN 0.809 nan 8.280 nan 0.000 0.479 1443 Q N 2.506 122.268 119.800 -0.064 0.000 2.286 1443 Q HA 0.054 4.395 4.340 0.001 0.000 0.257 1443 Q C -0.421 175.501 176.000 -0.131 0.000 0.941 1443 Q CA -0.320 55.091 55.803 -0.654 0.000 0.912 1443 Q CB 0.487 28.684 28.738 -0.902 0.000 1.192 1443 Q HN 0.774 nan 8.270 nan 0.000 0.410 1444 Y N 2.379 122.598 120.300 -0.136 0.000 2.563 1444 Y HA 0.462 5.012 4.550 0.001 0.000 0.250 1444 Y C -1.153 174.824 175.900 0.129 0.000 1.126 1444 Y CA -0.777 57.318 58.100 -0.009 0.000 1.231 1444 Y CB 0.722 39.191 38.460 0.014 0.000 1.288 1444 Y HN 0.415 nan 8.280 nan 0.000 0.537 1445 F N 2.682 122.383 119.950 -0.415 0.000 3.287 1445 F HA 0.401 4.929 4.527 0.001 0.000 0.379 1445 F C -1.193 174.451 175.800 -0.259 0.000 1.268 1445 F CA -1.721 56.094 58.000 -0.310 0.000 1.220 1445 F CB 0.681 39.411 39.000 -0.450 0.000 1.687 1445 F HN -0.001 nan 8.300 nan 0.000 0.648 1446 N N 4.131 122.706 118.700 -0.210 0.000 2.466 1446 N HA 0.187 4.927 4.740 0.001 0.000 0.263 1446 N C -0.620 174.709 175.510 -0.302 0.000 1.178 1446 N CA 0.274 53.193 53.050 -0.218 0.000 0.983 1446 N CB 1.597 40.005 38.487 -0.131 0.000 1.331 1446 N HN 0.329 nan 8.380 nan 0.000 0.500 1447 V N 2.123 121.866 119.914 -0.284 0.000 2.815 1447 V HA 0.271 4.392 4.120 0.001 0.000 0.314 1447 V C 0.133 176.154 176.094 -0.121 0.000 1.064 1447 V CA -0.895 61.256 62.300 -0.249 0.000 0.952 1447 V CB 2.030 33.676 31.823 -0.294 0.000 1.020 1447 V HN 0.620 nan 8.190 nan 0.000 0.439 1448 E N 4.401 124.544 120.200 -0.096 0.000 2.397 1448 E HA 0.361 4.712 4.350 0.001 0.000 0.254 1448 E C 0.664 177.252 176.600 -0.019 0.000 1.231 1448 E CA 0.110 56.480 56.400 -0.049 0.000 0.954 1448 E CB 0.684 30.353 29.700 -0.052 0.000 1.024 1448 E HN 0.621 nan 8.360 nan 0.000 0.481 1449 L N -0.592 120.634 121.223 0.005 0.000 3.542 1449 L HA -0.403 3.937 4.340 0.001 0.000 0.060 1449 L C 0.898 177.819 176.870 0.085 0.000 4.389 1449 L CA 1.618 56.474 54.840 0.027 0.000 0.557 1449 L CB -2.486 39.572 42.059 -0.001 0.000 3.528 1449 L HN 1.061 nan 8.230 nan 0.000 0.847 1450 I N -1.469 119.146 120.570 0.075 0.000 8.813 1450 I HA -0.263 3.908 4.170 0.001 0.000 0.126 1450 I C -0.168 176.038 176.117 0.147 0.000 1.855 1450 I CA 0.775 62.150 61.300 0.124 0.000 2.050 1450 I CB -0.182 37.918 38.000 0.168 0.000 3.888 1450 I HN 0.480 nan 8.210 nan 0.000 0.173 1451 Q N 7.993 127.847 119.800 0.090 0.000 2.256 1451 Q HA 0.545 4.886 4.340 0.001 0.000 0.254 1451 Q C -2.206 173.815 176.000 0.035 0.000 0.916 1451 Q CA -1.880 53.943 55.803 0.034 0.000 0.932 1451 Q CB 1.258 30.005 28.738 0.015 0.000 1.207 1451 Q HN 0.549 nan 8.270 nan 0.000 0.426 1452 P HA -0.109 nan 4.420 nan 0.000 0.264 1452 P C -0.217 176.990 177.300 -0.156 0.000 1.173 1452 P CA 0.346 63.414 63.100 -0.053 0.000 0.761 1452 P CB 0.391 32.050 31.700 -0.069 0.000 0.794 1453 G N 1.014 109.500 108.800 -0.524 0.000 2.563 1453 G HA2 0.579 4.540 3.960 0.001 0.000 0.283 1453 G HA3 0.579 4.540 3.960 0.001 0.000 0.283 1453 G C -0.982 173.794 174.900 -0.207 0.000 1.309 1453 G CA -0.111 44.650 45.100 -0.565 0.000 1.022 1453 G HN 0.717 nan 8.290 nan 0.000 0.501 1454 A N -1.792 121.056 122.820 0.046 0.000 2.589 1454 A HA 0.642 4.963 4.320 0.001 0.000 0.296 1454 A C -1.374 176.266 177.584 0.094 0.000 1.062 1454 A CA -0.394 51.676 52.037 0.055 0.000 0.686 1454 A CB 1.794 20.777 19.000 -0.029 0.000 1.282 1454 A HN 1.144 nan 8.150 nan 0.000 0.404 1455 V N 1.576 121.475 119.914 -0.025 0.000 2.604 1455 V HA 0.657 4.778 4.120 0.001 0.000 0.305 1455 V C -0.165 175.861 176.094 -0.115 0.000 1.043 1455 V CA -0.584 61.694 62.300 -0.036 0.000 0.888 1455 V CB 1.935 33.735 31.823 -0.038 0.000 0.995 1455 V HN 0.917 nan 8.190 nan 0.000 0.429 1456 K N 3.398 123.751 120.400 -0.079 0.000 2.443 1456 K HA 0.800 5.120 4.320 0.001 0.000 0.252 1456 K C -1.234 175.316 176.600 -0.083 0.000 0.933 1456 K CA -0.527 55.725 56.287 -0.059 0.000 0.792 1456 K CB 2.170 34.679 32.500 0.014 0.000 1.185 1456 K HN 0.585 nan 8.250 nan 0.000 0.425 1457 V N 1.147 120.970 119.914 -0.152 0.000 2.815 1457 V HA 0.809 4.929 4.120 0.001 0.000 0.314 1457 V C -1.040 174.855 176.094 -0.332 0.000 1.064 1457 V CA -0.702 61.359 62.300 -0.398 0.000 0.952 1457 V CB 0.769 32.182 31.823 -0.683 0.000 1.020 1457 V HN 0.928 nan 8.190 nan 0.000 0.439 1458 Y N -0.200 119.739 120.300 -0.601 0.000 2.810 1458 Y HA 0.831 5.382 4.550 0.001 0.000 0.355 1458 Y C -0.445 175.314 175.900 -0.236 0.000 1.211 1458 Y CA -0.972 56.883 58.100 -0.408 0.000 1.112 1458 Y CB 0.511 38.856 38.460 -0.191 0.000 1.383 1458 Y HN 1.043 nan 8.280 nan 0.000 0.458 1459 A N 1.168 124.008 122.820 0.033 0.000 2.302 1459 A HA 0.437 4.758 4.320 0.001 0.000 0.285 1459 A C 0.443 177.992 177.584 -0.059 0.000 1.105 1459 A CA -0.159 51.826 52.037 -0.087 0.000 0.816 1459 A CB -0.173 18.640 19.000 -0.312 0.000 1.067 1459 A HN 1.313 nan 8.150 nan 0.000 0.489 1460 Y N 0.554 120.869 120.300 0.024 0.000 2.193 1460 Y HA -0.320 4.231 4.550 0.001 0.000 0.285 1460 Y C 1.486 177.481 175.900 0.158 0.000 1.166 1460 Y CA 2.094 60.278 58.100 0.140 0.000 1.181 1460 Y CB -0.881 37.669 38.460 0.150 0.000 0.976 1460 Y HN 0.718 nan 8.280 nan 0.000 0.520 1461 Y N 0.320 120.043 120.300 -0.962 0.000 2.466 1461 Y HA 0.343 4.894 4.550 0.001 0.000 0.272 1461 Y C -0.412 175.345 175.900 -0.239 0.000 1.169 1461 Y CA -0.659 57.009 58.100 -0.719 0.000 1.285 1461 Y CB -0.504 37.386 38.460 -0.950 0.000 1.078 1461 Y HN 0.248 nan 8.280 nan 0.000 0.523 1462 N N 0.672 119.062 118.700 -0.517 0.000 2.572 1462 N HA 0.195 4.936 4.740 0.001 0.000 0.287 1462 N C -0.324 175.091 175.510 -0.160 0.000 1.136 1462 N CA -0.363 52.537 53.050 -0.250 0.000 0.900 1462 N CB 1.218 39.561 38.487 -0.239 0.000 1.484 1462 N HN 0.226 nan 8.380 nan 0.000 0.526 1463 L N 3.469 124.591 121.223 -0.168 0.000 2.249 1463 L HA 0.318 4.659 4.340 0.001 0.000 0.207 1463 L C 1.625 178.342 176.870 -0.255 0.000 1.090 1463 L CA 1.542 56.166 54.840 -0.359 0.000 0.802 1463 L CB -0.029 41.800 42.059 -0.384 0.000 0.947 1463 L HN 0.613 nan 8.230 nan 0.000 0.453 1464 E N 0.233 120.356 120.200 -0.128 0.000 2.051 1464 E HA -0.165 4.185 4.350 0.001 0.000 0.192 1464 E C 0.349 176.931 176.600 -0.030 0.000 0.991 1464 E CA 1.169 57.526 56.400 -0.072 0.000 0.799 1464 E CB -0.127 29.552 29.700 -0.035 0.000 0.748 1464 E HN 0.549 nan 8.360 nan 0.000 0.449 1465 E N 1.548 121.752 120.200 0.007 0.000 1.881 1465 E HA 0.068 4.419 4.350 0.001 0.000 0.264 1465 E C -0.630 176.071 176.600 0.168 0.000 1.243 1465 E CA -0.260 56.190 56.400 0.083 0.000 0.965 1465 E CB 0.282 30.040 29.700 0.097 0.000 1.055 1465 E HN 0.077 nan 8.360 nan 0.000 0.412 1466 S N 1.309 117.087 115.700 0.131 0.000 2.651 1466 S HA 0.589 5.060 4.470 0.001 0.000 0.279 1466 S C -0.990 173.673 174.600 0.106 0.000 1.148 1466 S CA -0.987 57.289 58.200 0.127 0.000 0.837 1466 S CB 2.084 65.295 63.200 0.018 0.000 1.138 1466 S HN 0.410 nan 8.310 nan 0.000 0.478 1467 c N 1.459 120.084 118.600 0.042 0.000 2.482 1467 c HA 0.853 5.424 4.570 0.001 0.000 0.317 1467 c C -0.794 173.263 174.090 -0.055 0.000 1.197 1467 c CA 0.123 56.466 56.329 0.023 0.000 1.432 1467 c CB 0.779 43.340 42.510 0.084 0.000 2.062 1467 c HN 0.966 nan 8.230 nan 0.000 0.471 1468 T N 5.080 119.581 114.554 -0.090 0.000 2.890 1468 T HA 0.506 4.857 4.350 0.001 0.000 0.295 1468 T C -0.704 173.811 174.700 -0.308 0.000 0.993 1468 T CA -0.442 61.525 62.100 -0.223 0.000 0.979 1468 T CB 0.875 69.576 68.868 -0.279 0.000 0.967 1468 T HN 0.596 nan 8.240 nan 0.000 0.441 1469 R N 1.781 122.107 120.500 -0.289 0.000 2.514 1469 R HA 0.699 5.040 4.340 0.001 0.000 0.301 1469 R C -1.074 175.061 176.300 -0.275 0.000 0.962 1469 R CA -0.754 55.222 56.100 -0.206 0.000 0.882 1469 R CB 0.686 30.965 30.300 -0.035 0.000 1.143 1469 R HN 0.474 nan 8.270 nan 0.000 0.452 1470 F N 3.205 123.209 119.950 0.091 0.000 2.399 1470 F HA 0.407 4.935 4.527 0.001 0.000 0.334 1470 F C 0.082 175.974 175.800 0.153 0.000 1.097 1470 F CA -0.636 57.417 58.000 0.089 0.000 1.076 1470 F CB 0.849 39.858 39.000 0.016 0.000 1.162 1470 F HN 0.438 nan 8.300 nan 0.000 0.495 1471 Y N -0.054 120.354 120.300 0.180 0.000 2.485 1471 Y HA 0.805 5.356 4.550 0.001 0.000 0.345 1471 Y C -1.188 174.797 175.900 0.141 0.000 0.998 1471 Y CA -1.287 56.875 58.100 0.103 0.000 1.059 1471 Y CB 1.623 40.084 38.460 0.002 0.000 1.234 1471 Y HN 0.733 nan 8.280 nan 0.000 0.461 1472 H N 3.078 122.192 119.070 0.073 0.000 3.112 1472 H HA 0.288 4.845 4.556 0.001 0.000 0.347 1472 H C -2.567 172.770 175.328 0.014 0.000 1.188 1472 H CA -1.685 54.349 56.048 -0.024 0.000 1.240 1472 H CB 2.888 32.625 29.762 -0.041 0.000 1.920 1472 H HN 0.422 nan 8.280 nan 0.000 0.535 1473 P HA -0.086 nan 4.420 nan 0.000 0.216 1473 P C 0.265 177.511 177.300 -0.090 0.000 1.153 1473 P CA 1.305 64.259 63.100 -0.244 0.000 0.844 1473 P CB 0.501 32.033 31.700 -0.281 0.000 0.787 1474 E N -0.711 119.462 120.200 -0.045 0.000 2.463 1474 E HA 0.078 4.428 4.350 0.001 0.000 0.193 1474 E C 1.326 178.075 176.600 0.249 0.000 1.041 1474 E CA 0.181 56.674 56.400 0.154 0.000 0.879 1474 E CB 0.243 30.046 29.700 0.172 0.000 0.997 1474 E HN 0.332 nan 8.360 nan 0.000 0.478 1475 K N -0.013 120.595 120.400 0.346 0.000 2.556 1475 K HA 0.048 4.369 4.320 0.001 0.000 0.201 1475 K C -0.557 176.115 176.600 0.119 0.000 1.423 1475 K CA -0.126 56.261 56.287 0.167 0.000 1.010 1475 K CB 1.041 33.553 32.500 0.021 0.000 1.409 1475 K HN -0.164 nan 8.250 nan 0.000 0.538 1476 E N 1.392 121.683 120.200 0.151 0.000 7.563 1476 E HA -0.210 4.140 4.350 0.001 0.000 0.460 1476 E C -0.605 176.057 176.600 0.104 0.000 0.344 1476 E CA 1.389 57.858 56.400 0.114 0.000 0.625 1476 E CB -0.742 29.005 29.700 0.077 0.000 0.965 1476 E HN 0.538 nan 8.360 nan 0.000 0.289 1477 D N 0.181 120.655 120.400 0.123 0.000 2.837 1477 D HA -0.229 4.412 4.640 0.001 0.000 0.195 1477 D C 0.928 177.328 176.300 0.166 0.000 1.033 1477 D CA 3.225 57.307 54.000 0.136 0.000 1.021 1477 D CB -1.265 39.595 40.800 0.100 0.000 1.101 1477 D HN 1.110 nan 8.370 nan 0.000 0.431 1478 G N -0.558 108.324 108.800 0.137 0.000 2.184 1478 G HA2 -0.418 3.543 3.960 0.001 0.000 0.264 1478 G HA3 -0.418 3.543 3.960 0.001 0.000 0.264 1478 G C 0.285 175.144 174.900 -0.069 0.000 0.975 1478 G CA 0.696 45.853 45.100 0.095 0.000 0.642 1478 G HN 0.424 nan 8.290 nan 0.000 0.536 1479 K N 0.491 120.858 120.400 -0.055 0.000 2.401 1479 K HA 0.504 4.825 4.320 0.001 0.000 0.278 1479 K C 1.145 177.654 176.600 -0.153 0.000 1.018 1479 K CA -0.117 56.097 56.287 -0.122 0.000 0.981 1479 K CB 0.423 32.893 32.500 -0.051 0.000 0.933 1479 K HN 0.290 nan 8.250 nan 0.000 0.477 1480 L N 3.282 124.392 121.223 -0.189 0.000 2.397 1480 L HA 0.089 4.429 4.340 0.001 0.000 0.271 1480 L C 0.510 177.317 176.870 -0.106 0.000 1.148 1480 L CA -0.169 54.571 54.840 -0.167 0.000 0.825 1480 L CB 0.488 42.444 42.059 -0.171 0.000 1.117 1480 L HN 0.649 nan 8.230 nan 0.000 0.456 1481 N N 4.272 122.919 118.700 -0.089 0.000 2.380 1481 N HA -0.031 4.710 4.740 0.001 0.000 0.292 1481 N C -0.525 174.960 175.510 -0.043 0.000 1.302 1481 N CA 0.389 53.410 53.050 -0.049 0.000 1.007 1481 N CB 0.232 38.696 38.487 -0.039 0.000 1.408 1481 N HN 0.506 nan 8.380 nan 0.000 0.487 1482 K N 0.834 121.217 120.400 -0.027 0.000 2.306 1482 K HA 0.615 4.935 4.320 0.001 0.000 0.236 1482 K C -0.876 175.722 176.600 -0.004 0.000 1.013 1482 K CA -0.929 55.343 56.287 -0.025 0.000 0.857 1482 K CB 1.660 34.149 32.500 -0.019 0.000 1.214 1482 K HN 0.067 nan 8.250 nan 0.000 0.449 1483 L N 1.716 122.919 121.223 -0.034 0.000 2.462 1483 L HA 0.342 4.683 4.340 0.001 0.000 0.255 1483 L C -1.707 175.157 176.870 -0.009 0.000 1.076 1483 L CA -0.097 54.700 54.840 -0.073 0.000 0.920 1483 L CB 0.798 42.717 42.059 -0.233 0.000 1.214 1483 L HN 0.839 nan 8.230 nan 0.000 0.472 1484 c N 2.791 121.449 118.600 0.097 0.000 2.329 1484 c HA 0.878 5.449 4.570 0.001 0.000 0.329 1484 c C 0.100 174.311 174.090 0.202 0.000 1.275 1484 c CA -0.890 55.548 56.329 0.182 0.000 1.726 1484 c CB 0.760 43.352 42.510 0.137 0.000 2.291 1484 c HN 0.839 nan 8.230 nan 0.000 0.514 1485 R N 1.408 122.029 120.500 0.202 0.000 2.621 1485 R HA 0.662 5.003 4.340 0.001 0.000 0.292 1485 R C -0.049 176.254 176.300 0.004 0.000 0.969 1485 R CA -0.234 55.937 56.100 0.118 0.000 0.887 1485 R CB 0.720 31.076 30.300 0.093 0.000 1.180 1485 R HN 0.657 nan 8.270 nan 0.000 0.450 1486 D N 1.306 121.721 120.400 0.025 0.000 4.365 1486 D HA -0.278 4.363 4.640 0.001 0.000 0.211 1486 D C 0.359 176.658 176.300 -0.003 0.000 1.059 1486 D CA 2.719 56.713 54.000 -0.010 0.000 2.239 1486 D CB -0.551 40.209 40.800 -0.066 0.000 1.164 1486 D HN 0.863 nan 8.370 nan 0.000 0.406 1487 E N -1.092 119.095 120.200 -0.022 0.000 2.576 1487 E HA 0.222 4.573 4.350 0.001 0.000 0.214 1487 E C 0.141 176.746 176.600 0.008 0.000 0.859 1487 E CA -0.024 56.371 56.400 -0.009 0.000 1.399 1487 E CB 1.458 31.140 29.700 -0.029 0.000 1.374 1487 E HN 0.347 nan 8.360 nan 0.000 0.718 1488 L N -0.537 120.691 121.223 0.008 0.000 2.370 1488 L HA 0.702 5.043 4.340 0.001 0.000 0.266 1488 L C -1.018 175.961 176.870 0.181 0.000 1.002 1488 L CA -0.697 54.178 54.840 0.060 0.000 0.818 1488 L CB 1.767 43.837 42.059 0.018 0.000 1.325 1488 L HN -0.115 nan 8.230 nan 0.000 0.418 1489 c N 1.585 120.290 118.600 0.174 0.000 2.505 1489 c HA 0.839 5.410 4.570 0.001 0.000 0.358 1489 c C -0.213 173.962 174.090 0.142 0.000 1.226 1489 c CA -0.743 55.686 56.329 0.167 0.000 1.900 1489 c CB 1.663 44.219 42.510 0.076 0.000 2.306 1489 c HN 0.815 nan 8.230 nan 0.000 0.512 1490 R N 0.086 120.594 120.500 0.012 0.000 2.686 1490 R HA 0.351 4.692 4.340 0.001 0.000 0.283 1490 R C -1.144 175.108 176.300 -0.080 0.000 0.978 1490 R CA -0.364 55.688 56.100 -0.079 0.000 0.897 1490 R CB 1.535 31.664 30.300 -0.284 0.000 1.192 1490 R HN 0.887 nan 8.270 nan 0.000 0.457 1491 C N 2.701 121.962 119.300 -0.065 0.000 2.610 1491 C HA 0.284 4.745 4.460 0.001 0.000 0.382 1491 C C 1.627 176.574 174.990 -0.072 0.000 1.287 1491 C CA 0.016 58.997 59.018 -0.061 0.000 1.640 1491 C CB -1.255 26.456 27.740 -0.049 0.000 2.335 1491 C HN 0.817 nan 8.230 nan 0.000 0.577 1492 A N 4.424 127.203 122.820 -0.068 0.000 2.178 1492 A HA 0.138 4.459 4.320 0.001 0.000 0.211 1492 A C 1.107 178.665 177.584 -0.043 0.000 1.157 1492 A CA 0.375 52.377 52.037 -0.057 0.000 0.780 1492 A CB -0.136 18.837 19.000 -0.045 0.000 0.828 1492 A HN 0.866 nan 8.150 nan 0.000 0.476 1493 E N 1.807 121.977 120.200 -0.051 0.000 2.059 1493 E HA 0.201 4.552 4.350 0.001 0.000 0.262 1493 E C -0.126 176.446 176.600 -0.047 0.000 1.230 1493 E CA 0.438 56.807 56.400 -0.052 0.000 0.951 1493 E CB -0.408 29.252 29.700 -0.066 0.000 1.038 1493 E HN 0.851 nan 8.360 nan 0.000 0.425 1494 E N 1.846 122.021 120.200 -0.041 0.000 2.383 1494 E HA 0.135 4.486 4.350 0.001 0.000 0.274 1494 E C -1.017 175.556 176.600 -0.044 0.000 1.205 1494 E CA -0.908 55.467 56.400 -0.043 0.000 0.912 1494 E CB 0.069 29.746 29.700 -0.039 0.000 1.345 1494 E HN -0.021 nan 8.360 nan 0.000 0.413 1495 N N -0.100 118.564 118.700 -0.060 0.000 2.407 1495 N HA 0.048 4.789 4.740 0.001 0.000 0.250 1495 N C 0.694 176.166 175.510 -0.063 0.000 1.236 1495 N CA 0.093 53.087 53.050 -0.093 0.000 0.879 1495 N CB 0.446 38.854 38.487 -0.131 0.000 1.088 1495 N HN 0.572 nan 8.380 nan 0.000 0.450 1496 C N 1.207 120.451 119.300 -0.092 0.000 2.425 1496 C HA 0.028 4.489 4.460 0.001 0.000 0.277 1496 C C 0.539 175.694 174.990 0.276 0.000 1.280 1496 C CA 0.393 59.461 59.018 0.085 0.000 1.744 1496 C CB -1.705 26.134 27.740 0.165 0.000 1.989 1496 C HN 0.761 nan 8.230 nan 0.000 0.491 1497 F N -4.480 115.480 119.950 0.016 0.000 2.804 1497 F HA 0.424 4.952 4.527 0.001 0.000 0.320 1497 F C -0.905 174.927 175.800 0.054 0.000 1.135 1497 F CA -1.805 56.219 58.000 0.039 0.000 0.947 1497 F CB -0.348 38.672 39.000 0.033 0.000 1.260 1497 F HN -0.194 nan 8.300 nan 0.000 0.447 1498 I N 3.059 123.725 120.570 0.160 0.000 3.252 1498 I HA -0.149 4.022 4.170 0.001 0.000 0.331 1498 I C 0.327 176.399 176.117 -0.075 0.000 1.237 1498 I CA 0.886 62.171 61.300 -0.024 0.000 1.436 1498 I CB 0.204 38.121 38.000 -0.139 0.000 1.338 1498 I HN 0.668 nan 8.210 nan 0.000 0.512 1499 Q N 8.111 127.768 119.800 -0.238 0.000 2.256 1499 Q HA 0.412 4.753 4.340 0.001 0.000 0.254 1499 Q C -0.278 175.632 176.000 -0.150 0.000 0.916 1499 Q CA -0.994 54.659 55.803 -0.251 0.000 0.932 1499 Q CB 1.392 29.964 28.738 -0.275 0.000 1.207 1499 Q HN 0.398 nan 8.270 nan 0.000 0.426 1504 K N 2.076 122.468 120.400 -0.012 0.000 2.329 1504 K HA 0.108 4.429 4.320 0.001 0.000 0.198 1504 K C 1.105 177.699 176.600 -0.009 0.000 1.085 1504 K CA 1.218 57.497 56.287 -0.013 0.000 0.961 1504 K CB -0.073 32.414 32.500 -0.021 0.000 0.971 1504 K HN 0.151 nan 8.250 nan 0.000 0.502 1505 V N 2.396 122.300 119.914 -0.016 0.000 5.620 1505 V HA -0.206 3.915 4.120 0.001 0.000 0.192 1505 V C -0.150 175.944 176.094 -0.001 0.000 0.714 1505 V CA 1.053 63.346 62.300 -0.012 0.000 0.544 1505 V CB -3.157 28.693 31.823 0.046 0.000 0.189 1505 V HN 0.403 nan 8.190 nan 0.000 0.450 1506 T N 1.414 115.964 114.554 -0.007 0.000 2.802 1506 T HA 0.425 4.776 4.350 0.001 0.000 0.305 1506 T C 1.314 176.032 174.700 0.029 0.000 1.053 1506 T CA 0.070 62.173 62.100 0.006 0.000 1.058 1506 T CB 1.767 70.634 68.868 -0.002 0.000 0.988 1506 T HN 0.425 nan 8.240 nan 0.000 0.539 1507 L N 0.189 121.436 121.223 0.039 0.000 2.017 1507 L HA -0.149 4.192 4.340 0.001 0.000 0.208 1507 L C 2.667 179.587 176.870 0.084 0.000 1.073 1507 L CA 1.634 56.519 54.840 0.075 0.000 0.745 1507 L CB -0.342 41.751 42.059 0.057 0.000 0.894 1507 L HN 0.674 nan 8.230 nan 0.000 0.432 1508 E N 0.096 120.321 120.200 0.041 0.000 2.035 1508 E HA -0.269 4.081 4.350 0.001 0.000 0.204 1508 E C 1.994 178.623 176.600 0.050 0.000 1.025 1508 E CA 1.758 58.177 56.400 0.031 0.000 0.835 1508 E CB -0.283 29.421 29.700 0.006 0.000 0.764 1508 E HN 0.424 nan 8.360 nan 0.000 0.457 1509 E N 0.306 120.522 120.200 0.027 0.000 2.187 1509 E HA -0.258 4.092 4.350 0.001 0.000 0.199 1509 E C 2.143 178.775 176.600 0.052 0.000 1.004 1509 E CA 1.150 57.552 56.400 0.004 0.000 0.813 1509 E CB -0.228 29.445 29.700 -0.045 0.000 0.736 1509 E HN 0.264 nan 8.360 nan 0.000 0.468 1510 R N 0.104 120.688 120.500 0.139 0.000 2.057 1510 R HA 0.123 4.464 4.340 0.001 0.000 0.224 1510 R C 2.728 179.302 176.300 0.457 0.000 1.136 1510 R CA 0.284 56.581 56.100 0.327 0.000 0.968 1510 R CB -0.256 30.223 30.300 0.300 0.000 0.863 1510 R HN 0.106 nan 8.270 nan 0.000 0.433 1511 L N 1.038 122.461 121.223 0.333 0.000 2.079 1511 L HA -0.243 4.098 4.340 0.001 0.000 0.210 1511 L C 1.760 178.684 176.870 0.090 0.000 1.081 1511 L CA 1.308 56.256 54.840 0.179 0.000 0.752 1511 L CB -0.333 41.759 42.059 0.056 0.000 0.896 1511 L HN 0.278 nan 8.230 nan 0.000 0.433 1512 D N -0.070 120.382 120.400 0.087 0.000 2.091 1512 D HA -0.159 4.482 4.640 0.001 0.000 0.199 1512 D C 2.002 178.342 176.300 0.068 0.000 0.980 1512 D CA 1.175 55.203 54.000 0.047 0.000 0.831 1512 D CB -0.024 40.792 40.800 0.026 0.000 0.987 1512 D HN 0.295 nan 8.370 nan 0.000 0.460 1513 K N 0.622 121.101 120.400 0.131 0.000 2.442 1513 K HA 0.027 4.348 4.320 0.001 0.000 0.198 1513 K C 1.312 178.068 176.600 0.259 0.000 1.042 1513 K CA 0.376 56.772 56.287 0.182 0.000 0.958 1513 K CB 0.226 32.820 32.500 0.156 0.000 0.766 1513 K HN -0.017 nan 8.250 nan 0.000 0.474 1514 A N 0.256 123.133 122.820 0.095 0.000 2.507 1514 A HA 0.117 4.438 4.320 0.001 0.000 0.270 1514 A C 0.368 177.822 177.584 -0.216 0.000 1.318 1514 A CA -0.267 51.570 52.037 -0.334 0.000 0.924 1514 A CB -0.135 18.408 19.000 -0.761 0.000 1.061 1514 A HN 0.313 nan 8.150 nan 0.000 0.516 1515 C N 0.022 119.270 119.300 -0.086 0.000 3.158 1515 C HA 0.362 4.822 4.460 0.001 0.000 0.228 1515 C C 0.818 175.789 174.990 -0.031 0.000 2.110 1515 C CA -0.918 58.060 59.018 -0.067 0.000 1.407 1515 C CB -1.356 26.350 27.740 -0.057 0.000 2.635 1515 C HN 0.660 nan 8.230 nan 0.000 0.509 1516 E N 2.210 122.397 120.200 -0.021 0.000 3.310 1516 E HA 0.246 4.597 4.350 0.001 0.000 0.428 1516 E C -0.738 175.858 176.600 -0.007 0.000 0.365 1516 E CA -0.428 55.970 56.400 -0.003 0.000 2.592 1516 E CB -0.034 29.676 29.700 0.018 0.000 2.230 1516 E HN 0.257 nan 8.360 nan 0.000 0.451 1517 P HA -0.051 nan 4.420 nan 0.000 0.197 1517 P C 0.619 177.917 177.300 -0.003 0.000 1.043 1517 P CA 0.881 63.981 63.100 -0.001 0.000 0.815 1517 P CB -0.429 31.272 31.700 0.001 0.000 0.666 1518 G N 0.136 108.935 108.800 -0.002 0.000 3.782 1518 G HA2 0.287 4.248 3.960 0.001 0.000 0.288 1518 G HA3 0.287 4.248 3.960 0.001 0.000 0.288 1518 G C 0.028 174.921 174.900 -0.012 0.000 1.300 1518 G CA -0.263 44.836 45.100 -0.002 0.000 1.261 1518 G HN 0.158 nan 8.290 nan 0.000 0.591 1519 V N 1.295 121.191 119.914 -0.030 0.000 2.393 1519 V HA -0.014 4.107 4.120 0.001 0.000 0.257 1519 V C 1.142 177.202 176.094 -0.056 0.000 1.040 1519 V CA 0.660 62.912 62.300 -0.079 0.000 1.097 1519 V CB 0.722 32.459 31.823 -0.142 0.000 1.101 1519 V HN 0.511 nan 8.190 nan 0.000 0.479 1520 D N 3.787 124.184 120.400 -0.005 0.000 2.355 1520 D HA 0.080 4.721 4.640 0.001 0.000 0.206 1520 D C 0.101 176.552 176.300 0.252 0.000 1.010 1520 D CA 0.350 54.437 54.000 0.145 0.000 0.875 1520 D CB 0.414 41.355 40.800 0.235 0.000 0.966 1520 D HN 0.638 nan 8.370 nan 0.000 0.512 1521 Y N -2.644 117.656 120.300 0.000 0.000 2.552 1521 Y HA 0.630 5.181 4.550 0.001 0.000 0.337 1521 Y C -1.713 174.043 175.900 -0.239 0.000 1.094 1521 Y CA -1.453 56.570 58.100 -0.129 0.000 1.028 1521 Y CB 1.200 39.538 38.460 -0.203 0.000 1.321 1521 Y HN -0.306 nan 8.280 nan 0.000 0.456 1522 V N 3.877 123.676 119.914 -0.190 0.000 2.509 1522 V HA 0.376 4.497 4.120 0.001 0.000 0.289 1522 V C -1.589 174.601 176.094 0.161 0.000 1.026 1522 V CA -0.764 61.495 62.300 -0.068 0.000 0.872 1522 V CB 0.789 32.598 31.823 -0.023 0.000 1.017 1522 V HN 0.699 nan 8.190 nan 0.000 0.436 1523 Y N 2.107 122.640 120.300 0.389 0.000 2.429 1523 Y HA 0.576 5.127 4.550 0.001 0.000 0.342 1523 Y C 0.205 176.296 175.900 0.318 0.000 1.004 1523 Y CA -1.770 56.526 58.100 0.327 0.000 1.075 1523 Y CB 1.643 40.287 38.460 0.308 0.000 1.214 1523 Y HN 0.485 nan 8.280 nan 0.000 0.455 1524 K N 2.015 122.679 120.400 0.441 0.000 2.227 1524 K HA 0.548 4.869 4.320 0.001 0.000 0.280 1524 K C -0.942 175.773 176.600 0.191 0.000 1.041 1524 K CA -0.248 56.219 56.287 0.300 0.000 0.905 1524 K CB 0.495 33.028 32.500 0.054 0.000 1.068 1524 K HN 0.889 nan 8.250 nan 0.000 0.470 1525 T N 1.381 116.048 114.554 0.188 0.000 2.921 1525 T HA 0.337 4.688 4.350 0.001 0.000 0.297 1525 T C -0.642 174.142 174.700 0.140 0.000 1.013 1525 T CA -1.022 61.160 62.100 0.137 0.000 0.990 1525 T CB 1.480 70.402 68.868 0.090 0.000 1.023 1525 T HN 0.631 nan 8.240 nan 0.000 0.447 1526 R N 1.996 122.548 120.500 0.087 0.000 2.349 1526 R HA 0.536 4.877 4.340 0.001 0.000 0.299 1526 R C -0.748 175.523 176.300 -0.047 0.000 1.027 1526 R CA -0.967 55.073 56.100 -0.100 0.000 0.958 1526 R CB 0.700 30.910 30.300 -0.150 0.000 1.047 1526 R HN 0.646 nan 8.270 nan 0.000 0.468 1527 L N 5.776 126.973 121.223 -0.043 0.000 2.278 1527 L HA 0.175 4.515 4.340 0.001 0.000 0.287 1527 L C -0.107 176.760 176.870 -0.006 0.000 1.072 1527 L CA 0.364 55.206 54.840 0.003 0.000 0.819 1527 L CB 1.626 43.712 42.059 0.044 0.000 1.176 1527 L HN 0.590 nan 8.230 nan 0.000 0.435 1528 V N 4.390 124.312 119.914 0.014 0.000 3.565 1528 V HA 0.294 4.415 4.120 0.001 0.000 0.260 1528 V C 0.676 176.781 176.094 0.018 0.000 1.231 1528 V CA 0.304 62.609 62.300 0.007 0.000 1.100 1528 V CB -0.539 31.289 31.823 0.009 0.000 0.807 1528 V HN 0.814 nan 8.190 nan 0.000 0.454 1529 K N -0.333 120.089 120.400 0.036 0.000 2.636 1529 K HA 0.325 4.646 4.320 0.001 0.000 0.268 1529 K C -2.015 174.605 176.600 0.033 0.000 0.958 1529 K CA -0.310 55.993 56.287 0.027 0.000 0.875 1529 K CB 2.632 35.141 32.500 0.015 0.000 1.382 1529 K HN -0.150 nan 8.250 nan 0.000 0.405 1530 V N 4.293 124.212 119.914 0.007 0.000 2.235 1530 V HA 0.226 4.347 4.120 0.001 0.000 0.266 1530 V C -0.337 175.689 176.094 -0.112 0.000 1.055 1530 V CA -0.611 61.663 62.300 -0.043 0.000 0.844 1530 V CB 0.947 32.794 31.823 0.039 0.000 1.097 1530 V HN 0.594 nan 8.190 nan 0.000 0.453 1531 Q N 3.482 123.196 119.800 -0.144 0.000 2.664 1531 Q HA 0.306 4.647 4.340 0.001 0.000 0.223 1531 Q C -0.287 175.607 176.000 -0.178 0.000 1.298 1531 Q CA -0.404 55.324 55.803 -0.125 0.000 0.965 1531 Q CB 0.646 29.334 28.738 -0.083 0.000 1.510 1531 Q HN 0.513 nan 8.270 nan 0.000 0.567 1532 L N 0.885 122.016 121.223 -0.154 0.000 2.483 1532 L HA 0.111 4.452 4.340 0.001 0.000 0.277 1532 L C 0.514 177.306 176.870 -0.130 0.000 1.248 1532 L CA 0.945 55.701 54.840 -0.140 0.000 0.825 1532 L CB 0.747 42.756 42.059 -0.083 0.000 1.096 1532 L HN 0.513 nan 8.230 nan 0.000 0.512 1533 S N -0.611 115.015 115.700 -0.123 0.000 2.656 1533 S HA 0.344 4.814 4.470 0.001 0.000 0.265 1533 S C 0.298 174.839 174.600 -0.099 0.000 1.132 1533 S CA -0.621 57.499 58.200 -0.133 0.000 0.819 1533 S CB 0.631 63.696 63.200 -0.226 0.000 1.119 1533 S HN 0.590 nan 8.310 nan 0.000 0.476 1534 N N 2.198 120.843 118.700 -0.092 0.000 2.048 1534 N HA -0.066 4.675 4.740 0.001 0.000 0.193 1534 N C 1.396 176.884 175.510 -0.037 0.000 1.061 1534 N CA 2.188 55.208 53.050 -0.051 0.000 0.849 1534 N CB -0.667 37.798 38.487 -0.037 0.000 1.044 1534 N HN 0.786 nan 8.380 nan 0.000 0.429 1535 D N 0.264 120.627 120.400 -0.062 0.000 2.077 1535 D HA -0.143 4.497 4.640 0.001 0.000 0.193 1535 D C 0.472 176.842 176.300 0.116 0.000 0.989 1535 D CA 1.162 55.173 54.000 0.018 0.000 0.831 1535 D CB -0.654 40.169 40.800 0.039 0.000 0.979 1535 D HN 0.416 nan 8.370 nan 0.000 0.449 1536 F N -0.707 119.254 119.950 0.018 0.000 2.556 1536 F HA 0.589 5.117 4.527 0.001 0.000 0.314 1536 F C -0.651 175.142 175.800 -0.012 0.000 1.106 1536 F CA -1.597 56.412 58.000 0.015 0.000 0.911 1536 F CB 1.259 40.277 39.000 0.030 0.000 1.190 1536 F HN -0.376 nan 8.300 nan 0.000 0.448 1537 D N 1.565 122.056 120.400 0.152 0.000 2.377 1537 D HA 0.356 4.997 4.640 0.001 0.000 0.245 1537 D C -0.591 175.692 176.300 -0.028 0.000 1.196 1537 D CA 0.123 54.095 54.000 -0.048 0.000 0.962 1537 D CB 0.655 41.391 40.800 -0.107 0.000 1.127 1537 D HN 0.588 nan 8.370 nan 0.000 0.471 1538 E N 0.384 120.380 120.200 -0.340 0.000 2.291 1538 E HA 0.214 4.565 4.350 0.001 0.000 0.276 1538 E C -1.227 175.119 176.600 -0.422 0.000 0.896 1538 E CA -0.562 55.737 56.400 -0.168 0.000 0.774 1538 E CB 1.575 31.247 29.700 -0.047 0.000 1.227 1538 E HN 0.342 nan 8.360 nan 0.000 0.413 1539 Y N 1.572 121.955 120.300 0.138 0.000 2.349 1539 Y HA 0.368 4.919 4.550 0.001 0.000 0.324 1539 Y C 0.005 175.990 175.900 0.140 0.000 1.005 1539 Y CA -0.758 57.392 58.100 0.082 0.000 1.240 1539 Y CB 0.941 39.403 38.460 0.004 0.000 1.117 1539 Y HN 0.402 nan 8.280 nan 0.000 0.463 1540 I N 5.116 125.806 120.570 0.201 0.000 2.329 1540 I HA 0.132 4.303 4.170 0.001 0.000 0.295 1540 I C -0.324 175.879 176.117 0.145 0.000 1.109 1540 I CA 0.184 61.588 61.300 0.175 0.000 1.297 1540 I CB -0.044 38.016 38.000 0.100 0.000 1.433 1540 I HN 0.402 nan 8.210 nan 0.000 0.509 1541 M N 5.623 125.337 119.600 0.190 0.000 2.209 1541 M HA 0.505 4.986 4.480 0.001 0.000 0.355 1541 M C 0.082 176.429 176.300 0.078 0.000 1.171 1541 M CA -0.533 54.811 55.300 0.074 0.000 1.069 1541 M CB 1.286 33.834 32.600 -0.087 0.000 1.622 1541 M HN 0.529 nan 8.290 nan 0.000 0.459 1542 A N 4.701 127.539 122.820 0.030 0.000 2.260 1542 A HA 0.618 4.938 4.320 0.001 0.000 0.308 1542 A C -0.057 177.522 177.584 -0.009 0.000 1.254 1542 A CA -0.612 51.429 52.037 0.006 0.000 0.874 1542 A CB -0.046 18.956 19.000 0.003 0.000 1.153 1542 A HN 0.851 nan 8.150 nan 0.000 0.527 1543 I N 3.138 123.669 120.570 -0.066 0.000 2.576 1543 I HA 0.003 4.174 4.170 0.001 0.000 0.288 1543 I C 1.204 177.296 176.117 -0.043 0.000 1.126 1543 I CA 0.144 61.380 61.300 -0.106 0.000 1.362 1543 I CB 0.565 38.360 38.000 -0.341 0.000 1.419 1543 I HN 0.738 nan 8.210 nan 0.000 0.533 1544 E N 5.564 125.767 120.200 0.005 0.000 2.152 1544 E HA -0.107 4.244 4.350 0.001 0.000 0.192 1544 E C 0.189 176.783 176.600 -0.010 0.000 0.983 1544 E CA 0.754 57.147 56.400 -0.011 0.000 0.818 1544 E CB 0.146 29.820 29.700 -0.043 0.000 0.758 1544 E HN 0.799 nan 8.360 nan 0.000 0.467 1545 Q N -1.213 118.611 119.800 0.040 0.000 2.527 1545 Q HA 0.285 4.626 4.340 0.001 0.000 0.280 1545 Q C -1.174 174.934 176.000 0.179 0.000 0.977 1545 Q CA -0.705 55.144 55.803 0.078 0.000 0.837 1545 Q CB 0.876 29.655 28.738 0.069 0.000 1.454 1545 Q HN -0.111 nan 8.270 nan 0.000 0.387 1546 T N 0.156 114.822 114.554 0.188 0.000 2.747 1546 T HA 0.449 4.800 4.350 0.001 0.000 0.301 1546 T C 0.716 175.568 174.700 0.255 0.000 0.952 1546 T CA -0.570 61.720 62.100 0.316 0.000 0.983 1546 T CB 0.059 69.087 68.868 0.266 0.000 0.930 1546 T HN 0.616 nan 8.240 nan 0.000 0.494 1547 I N 1.230 121.974 120.570 0.289 0.000 2.339 1547 I HA 0.149 4.320 4.170 0.001 0.000 0.245 1547 I C 1.394 177.587 176.117 0.127 0.000 1.096 1547 I CA 0.785 62.203 61.300 0.196 0.000 1.408 1547 I CB 0.136 38.283 38.000 0.245 0.000 1.092 1547 I HN 0.498 nan 8.210 nan 0.000 0.423 1548 K N 0.895 121.381 120.400 0.142 0.000 2.502 1548 K HA 0.364 4.685 4.320 0.001 0.000 0.254 1548 K C -0.556 176.160 176.600 0.193 0.000 0.947 1548 K CA -0.307 56.042 56.287 0.104 0.000 0.834 1548 K CB 1.625 34.132 32.500 0.011 0.000 1.112 1548 K HN -0.047 nan 8.250 nan 0.000 0.427 1549 S N 1.113 116.934 115.700 0.202 0.000 2.549 1549 S HA 0.746 5.217 4.470 0.001 0.000 0.260 1549 S C 0.549 175.284 174.600 0.225 0.000 1.217 1549 S CA 0.051 58.405 58.200 0.257 0.000 1.001 1549 S CB 0.989 64.303 63.200 0.191 0.000 1.059 1549 S HN 0.956 nan 8.310 nan 0.000 0.537 1550 G N 0.160 109.088 108.800 0.213 0.000 2.534 1550 G HA2 0.064 4.025 3.960 0.001 0.000 0.142 1550 G HA3 0.064 4.025 3.960 0.001 0.000 0.142 1550 G C 0.288 175.295 174.900 0.178 0.000 1.178 1550 G CA 0.153 45.367 45.100 0.191 0.000 1.037 1550 G HN 0.636 nan 8.290 nan 0.000 0.474 1551 S N 0.600 116.430 115.700 0.218 0.000 2.711 1551 S HA 0.152 4.623 4.470 0.001 0.000 0.237 1551 S C 0.058 174.689 174.600 0.051 0.000 0.971 1551 S CA 1.489 59.792 58.200 0.173 0.000 0.964 1551 S CB -0.529 62.841 63.200 0.283 0.000 0.775 1551 S HN 0.564 nan 8.310 nan 0.000 0.540 1552 D N 0.903 121.337 120.400 0.056 0.000 2.470 1552 D HA 0.086 4.727 4.640 0.001 0.000 0.233 1552 D C -1.243 175.084 176.300 0.046 0.000 1.372 1552 D CA -0.239 53.727 54.000 -0.057 0.000 0.994 1552 D CB 1.183 41.853 40.800 -0.217 0.000 1.377 1552 D HN 0.225 nan 8.370 nan 0.000 0.586 1553 E N 1.951 122.159 120.200 0.014 0.000 2.323 1553 E HA 0.113 4.464 4.350 0.001 0.000 0.313 1553 E C 0.207 176.820 176.600 0.022 0.000 1.236 1553 E CA -0.085 56.335 56.400 0.033 0.000 1.333 1553 E CB 0.968 30.677 29.700 0.015 0.000 1.138 1553 E HN 0.114 nan 8.360 nan 0.000 0.492 1554 V N 2.465 122.404 119.914 0.042 0.000 2.461 1554 V HA 0.082 4.203 4.120 0.001 0.000 0.275 1554 V C -0.186 175.899 176.094 -0.016 0.000 1.047 1554 V CA -0.350 61.945 62.300 -0.008 0.000 0.955 1554 V CB 1.485 33.271 31.823 -0.062 0.000 0.988 1554 V HN 0.420 nan 8.190 nan 0.000 0.471 1555 Q N 3.980 123.765 119.800 -0.026 0.000 2.222 1555 Q HA 0.495 4.836 4.340 0.001 0.000 0.252 1555 Q C -0.667 175.313 176.000 -0.034 0.000 0.926 1555 Q CA -0.272 55.520 55.803 -0.017 0.000 0.899 1555 Q CB 1.944 30.676 28.738 -0.010 0.000 1.250 1555 Q HN 0.689 nan 8.270 nan 0.000 0.441 1556 V N 3.244 123.146 119.914 -0.020 0.000 2.599 1556 V HA 0.311 4.432 4.120 0.001 0.000 0.300 1556 V C 1.374 177.453 176.094 -0.025 0.000 1.034 1556 V CA 1.648 63.933 62.300 -0.025 0.000 1.115 1556 V CB 0.292 32.111 31.823 -0.007 0.000 0.934 1556 V HN 1.052 nan 8.190 nan 0.000 0.485 1557 G N 3.224 112.006 108.800 -0.030 0.000 2.254 1557 G HA2 -0.194 3.767 3.960 0.001 0.000 0.225 1557 G HA3 -0.194 3.767 3.960 0.001 0.000 0.225 1557 G C 0.245 175.129 174.900 -0.026 0.000 1.003 1557 G CA 0.016 45.102 45.100 -0.022 0.000 0.622 1557 G HN 0.618 nan 8.290 nan 0.000 0.507 1558 Q N 0.674 120.452 119.800 -0.037 0.000 2.394 1558 Q HA 0.480 4.821 4.340 0.001 0.000 0.248 1558 Q C 0.094 176.068 176.000 -0.043 0.000 0.992 1558 Q CA 0.264 56.045 55.803 -0.038 0.000 0.888 1558 Q CB 0.559 29.270 28.738 -0.044 0.000 1.257 1558 Q HN 0.577 nan 8.270 nan 0.000 0.462 1559 Q N 1.460 121.247 119.800 -0.021 0.000 2.274 1559 Q HA 0.480 4.821 4.340 0.001 0.000 0.260 1559 Q C -0.765 175.238 176.000 0.006 0.000 0.974 1559 Q CA -0.750 55.052 55.803 -0.000 0.000 0.876 1559 Q CB 1.561 30.311 28.738 0.019 0.000 1.297 1559 Q HN 0.169 nan 8.270 nan 0.000 0.446 1560 R N 1.221 121.738 120.500 0.029 0.000 2.575 1560 R HA 0.393 4.734 4.340 0.001 0.000 0.293 1560 R C -0.850 175.522 176.300 0.120 0.000 0.983 1560 R CA -0.610 55.500 56.100 0.016 0.000 0.887 1560 R CB 1.948 32.136 30.300 -0.187 0.000 1.184 1560 R HN 0.554 nan 8.270 nan 0.000 0.445 1561 T N 3.425 118.046 114.554 0.113 0.000 2.901 1561 T HA 0.365 4.716 4.350 0.001 0.000 0.301 1561 T C -0.446 174.352 174.700 0.164 0.000 1.012 1561 T CA 0.519 62.737 62.100 0.197 0.000 1.135 1561 T CB 0.038 69.006 68.868 0.167 0.000 0.936 1561 T HN 0.158 nan 8.240 nan 0.000 0.539 1562 F N 3.392 123.463 119.950 0.202 0.000 2.427 1562 F HA 0.511 5.039 4.527 0.001 0.000 0.348 1562 F C 0.253 176.221 175.800 0.281 0.000 1.125 1562 F CA -1.106 57.042 58.000 0.246 0.000 0.989 1562 F CB 0.774 39.889 39.000 0.192 0.000 1.165 1562 F HN 0.363 nan 8.300 nan 0.000 0.442 1563 I N 2.413 123.185 120.570 0.336 0.000 2.499 1563 I HA 0.525 4.696 4.170 0.001 0.000 0.296 1563 I C 0.161 176.427 176.117 0.249 0.000 0.992 1563 I CA -0.259 61.194 61.300 0.255 0.000 1.297 1563 I CB 1.587 39.618 38.000 0.052 0.000 1.410 1563 I HN 0.561 nan 8.210 nan 0.000 0.507 1564 S N 5.995 121.858 115.700 0.272 0.000 2.533 1564 S HA 0.602 5.073 4.470 0.001 0.000 0.271 1564 S C -2.905 171.817 174.600 0.202 0.000 1.143 1564 S CA -1.343 56.998 58.200 0.235 0.000 0.891 1564 S CB 2.065 65.460 63.200 0.326 0.000 1.105 1564 S HN 0.189 nan 8.310 nan 0.000 0.468 1565 P HA 0.162 nan 4.420 nan 0.000 0.270 1565 P C 1.128 178.507 177.300 0.133 0.000 1.223 1565 P CA -0.602 62.573 63.100 0.125 0.000 0.785 1565 P CB 0.350 32.096 31.700 0.076 0.000 0.923 1566 I N 2.188 122.824 120.570 0.111 0.000 2.361 1566 I HA -0.236 3.935 4.170 0.001 0.000 0.251 1566 I C 1.336 177.502 176.117 0.083 0.000 1.133 1566 I CA 1.979 63.332 61.300 0.087 0.000 1.413 1566 I CB -0.457 37.580 38.000 0.061 0.000 1.073 1566 I HN 0.320 nan 8.210 nan 0.000 0.424 1567 K N 0.060 120.505 120.400 0.075 0.000 2.555 1567 K HA -0.015 4.306 4.320 0.001 0.000 0.193 1567 K C 1.542 178.191 176.600 0.082 0.000 1.032 1567 K CA 1.056 57.384 56.287 0.067 0.000 1.004 1567 K CB -1.079 31.451 32.500 0.050 0.000 0.804 1567 K HN 0.300 nan 8.250 nan 0.000 0.496 1568 C N -0.034 119.331 119.300 0.108 0.000 2.865 1568 C HA 0.308 4.769 4.460 0.001 0.000 0.280 1568 C C 2.399 177.473 174.990 0.140 0.000 1.255 1568 C CA -0.473 58.630 59.018 0.142 0.000 1.705 1568 C CB -0.677 27.167 27.740 0.173 0.000 2.080 1568 C HN 0.640 nan 8.230 nan 0.000 0.591 1569 R N 2.205 122.784 120.500 0.133 0.000 2.136 1569 R HA -0.251 4.090 4.340 0.001 0.000 0.242 1569 R C 2.118 178.477 176.300 0.098 0.000 1.131 1569 R CA 2.293 58.476 56.100 0.138 0.000 0.937 1569 R CB -0.398 29.971 30.300 0.115 0.000 0.863 1569 R HN 0.612 nan 8.270 nan 0.000 0.435 1570 E N -0.924 119.326 120.200 0.083 0.000 2.208 1570 E HA -0.128 4.222 4.350 0.001 0.000 0.193 1570 E C 1.648 178.292 176.600 0.074 0.000 0.988 1570 E CA 0.902 57.342 56.400 0.067 0.000 0.828 1570 E CB 0.016 29.750 29.700 0.057 0.000 0.763 1570 E HN 0.540 nan 8.360 nan 0.000 0.478 1571 A N 0.664 123.549 122.820 0.108 0.000 1.930 1571 A HA -0.051 4.270 4.320 0.001 0.000 0.215 1571 A C 2.103 179.796 177.584 0.182 0.000 1.176 1571 A CA 0.582 52.721 52.037 0.170 0.000 0.632 1571 A CB -0.346 18.786 19.000 0.220 0.000 0.819 1571 A HN 0.217 nan 8.150 nan 0.000 0.445 1572 L N -0.611 120.645 121.223 0.055 0.000 2.044 1572 L HA -0.097 4.244 4.340 0.001 0.000 0.205 1572 L C 0.670 177.435 176.870 -0.176 0.000 1.075 1572 L CA 1.150 55.842 54.840 -0.246 0.000 0.747 1572 L CB -0.576 41.269 42.059 -0.357 0.000 0.903 1572 L HN 0.545 nan 8.230 nan 0.000 0.435 1573 K N 0.821 121.182 120.400 -0.064 0.000 5.163 1573 K HA -0.198 4.123 4.320 0.001 0.000 0.320 1573 K C -0.924 175.661 176.600 -0.024 0.000 0.822 1573 K CA 0.874 57.152 56.287 -0.016 0.000 0.981 1573 K CB -2.300 30.210 32.500 0.017 0.000 1.877 1573 K HN 0.224 nan 8.250 nan 0.000 0.400 1574 L N 0.558 121.748 121.223 -0.056 0.000 2.365 1574 L HA 0.638 4.979 4.340 0.001 0.000 0.267 1574 L C 0.387 177.305 176.870 0.079 0.000 1.033 1574 L CA -1.030 53.792 54.840 -0.029 0.000 0.802 1574 L CB 1.617 43.465 42.059 -0.352 0.000 1.267 1574 L HN 0.619 nan 8.230 nan 0.000 0.457 1575 E N 0.139 120.420 120.200 0.135 0.000 2.366 1575 E HA 0.241 4.591 4.350 0.001 0.000 0.278 1575 E C -1.254 175.398 176.600 0.086 0.000 0.923 1575 E CA -0.645 55.814 56.400 0.099 0.000 0.761 1575 E CB 2.020 31.766 29.700 0.077 0.000 1.231 1575 E HN 0.583 nan 8.360 nan 0.000 0.443 1576 E N 2.355 122.586 120.200 0.052 0.000 2.468 1576 E HA -0.094 4.257 4.350 0.001 0.000 0.263 1576 E C 0.171 176.752 176.600 -0.032 0.000 1.192 1576 E CA 0.054 56.464 56.400 0.017 0.000 1.016 1576 E CB 0.383 30.090 29.700 0.011 0.000 0.980 1576 E HN 0.495 nan 8.360 nan 0.000 0.467 1577 K N -0.873 119.479 120.400 -0.079 0.000 3.596 1577 K HA -0.209 4.112 4.320 0.001 0.000 0.295 1577 K C -0.417 176.001 176.600 -0.304 0.000 1.230 1577 K CA 1.523 57.721 56.287 -0.149 0.000 1.029 1577 K CB -0.910 31.538 32.500 -0.088 0.000 1.303 1577 K HN 0.462 nan 8.250 nan 0.000 0.442 1578 K N 0.811 121.052 120.400 -0.265 0.000 2.123 1578 K HA 0.308 4.628 4.320 0.001 0.000 0.259 1578 K C 0.030 176.305 176.600 -0.541 0.000 0.960 1578 K CA -0.588 55.457 56.287 -0.403 0.000 0.872 1578 K CB 0.999 33.332 32.500 -0.278 0.000 1.079 1578 K HN 0.092 nan 8.250 nan 0.000 0.440 1579 H N 1.407 120.211 119.070 -0.443 0.000 2.483 1579 H HA 0.317 4.873 4.556 0.001 0.000 0.338 1579 H C -0.735 174.225 175.328 -0.613 0.000 1.152 1579 H CA -0.178 55.641 56.048 -0.382 0.000 1.264 1579 H CB 0.959 30.473 29.762 -0.414 0.000 1.510 1579 H HN 0.471 nan 8.280 nan 0.000 0.530 1580 Y N -0.115 120.239 120.300 0.090 0.000 2.644 1580 Y HA 0.305 4.856 4.550 0.001 0.000 0.338 1580 Y C -0.800 175.243 175.900 0.238 0.000 1.119 1580 Y CA -0.997 57.136 58.100 0.055 0.000 1.060 1580 Y CB 1.744 40.114 38.460 -0.150 0.000 1.294 1580 Y HN 0.348 nan 8.280 nan 0.000 0.472 1581 L N 2.447 123.816 121.223 0.244 0.000 2.385 1581 L HA 0.734 5.075 4.340 0.001 0.000 0.273 1581 L C -1.562 175.344 176.870 0.060 0.000 0.990 1581 L CA -0.935 54.020 54.840 0.191 0.000 0.821 1581 L CB 1.433 43.460 42.059 -0.055 0.000 1.279 1581 L HN 0.604 nan 8.230 nan 0.000 0.412 1582 M N 4.774 124.535 119.600 0.268 0.000 2.224 1582 M HA 0.266 4.747 4.480 0.001 0.000 0.281 1582 M C -0.430 176.120 176.300 0.415 0.000 1.025 1582 M CA -0.425 55.026 55.300 0.252 0.000 0.954 1582 M CB 1.900 34.607 32.600 0.179 0.000 1.639 1582 M HN 0.632 nan 8.290 nan 0.000 0.461 1583 W N 1.631 122.896 121.300 -0.058 0.000 1.512 1583 W HA 0.524 5.185 4.660 0.001 0.000 0.415 1583 W C 0.887 177.009 176.519 -0.661 0.000 0.903 1583 W CA 0.409 57.632 57.345 -0.203 0.000 0.979 1583 W CB -0.133 29.327 29.460 -0.000 0.000 1.824 1583 W HN 0.794 nan 8.180 nan 0.000 0.609 1584 G N 0.112 108.857 108.800 -0.091 0.000 2.675 1584 G HA2 -0.138 3.823 3.960 0.001 0.000 0.686 1584 G HA3 -0.138 3.823 3.960 0.001 0.000 0.686 1584 G C -1.253 173.510 174.900 -0.228 0.000 1.215 1584 G CA -0.965 43.998 45.100 -0.228 0.000 0.777 1584 G HN 0.279 nan 8.290 nan 0.000 0.638 1585 L N 0.309 121.522 121.223 -0.015 0.000 2.492 1585 L HA 0.609 4.950 4.340 0.001 0.000 0.263 1585 L C 1.797 178.554 176.870 -0.187 0.000 1.062 1585 L CA -0.530 54.278 54.840 -0.053 0.000 0.817 1585 L CB 1.358 43.386 42.059 -0.052 0.000 1.441 1585 L HN 0.627 nan 8.230 nan 0.000 0.493 1586 S N -0.860 114.708 115.700 -0.220 0.000 2.439 1586 S HA -0.083 4.388 4.470 0.001 0.000 0.224 1586 S C 1.581 175.924 174.600 -0.428 0.000 1.029 1586 S CA 0.887 58.846 58.200 -0.401 0.000 0.946 1586 S CB -0.008 63.169 63.200 -0.038 0.000 0.797 1586 S HN 0.762 nan 8.310 nan 0.000 0.504 1587 S N 1.278 116.852 115.700 -0.210 0.000 2.660 1587 S HA 0.051 4.522 4.470 0.001 0.000 0.228 1587 S C 0.373 174.894 174.600 -0.131 0.000 0.966 1587 S CA 0.350 58.484 58.200 -0.110 0.000 0.940 1587 S CB -0.171 62.999 63.200 -0.049 0.000 0.773 1587 S HN 0.237 nan 8.310 nan 0.000 0.535 1588 D N 0.271 120.500 120.400 -0.284 0.000 2.379 1588 D HA 0.302 4.943 4.640 0.001 0.000 0.208 1588 D C -0.088 176.131 176.300 -0.136 0.000 1.065 1588 D CA -0.164 53.723 54.000 -0.189 0.000 0.848 1588 D CB -0.019 40.724 40.800 -0.095 0.000 0.949 1588 D HN 0.318 nan 8.370 nan 0.000 0.509 1589 F N 0.050 119.983 119.950 -0.029 0.000 2.426 1589 F HA 0.251 4.779 4.527 0.001 0.000 0.309 1589 F C 0.581 176.498 175.800 0.196 0.000 1.246 1589 F CA -0.727 57.225 58.000 -0.080 0.000 1.229 1589 F CB 0.354 39.252 39.000 -0.169 0.000 1.255 1589 F HN -0.117 nan 8.300 nan 0.000 0.558 1590 W N 0.873 122.212 121.300 0.064 0.000 2.916 1590 W HA 0.422 5.083 4.660 0.001 0.000 0.317 1590 W C -0.334 176.167 176.519 -0.030 0.000 1.047 1590 W CA -0.439 56.904 57.345 -0.004 0.000 1.234 1590 W CB 1.409 30.854 29.460 -0.026 0.000 1.143 1590 W HN 0.842 nan 8.180 nan 0.000 0.372 1591 G N 2.997 111.682 108.800 -0.192 0.000 2.699 1591 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 1591 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 1591 G C -0.712 174.114 174.900 -0.123 0.000 1.301 1591 G CA -1.010 43.963 45.100 -0.212 0.000 0.816 1591 G HN 0.352 nan 8.290 nan 0.000 0.595 1592 E N 0.559 120.687 120.200 -0.120 0.000 2.349 1592 E HA 0.270 4.621 4.350 0.001 0.000 0.265 1592 E C 0.951 177.489 176.600 -0.103 0.000 1.064 1592 E CA -0.580 55.761 56.400 -0.098 0.000 0.886 1592 E CB 1.186 30.836 29.700 -0.082 0.000 1.036 1592 E HN 0.745 nan 8.360 nan 0.000 0.413 1593 K N 2.701 123.036 120.400 -0.108 0.000 2.518 1593 K HA -0.021 4.300 4.320 0.001 0.000 0.276 1593 K C -1.500 175.055 176.600 -0.074 0.000 0.974 1593 K CA -0.691 55.533 56.287 -0.105 0.000 0.986 1593 K CB 0.361 32.801 32.500 -0.100 0.000 0.901 1593 K HN 0.177 nan 8.250 nan 0.000 0.497 1594 P HA 0.045 nan 4.420 nan 0.000 0.257 1594 P C -0.897 176.361 177.300 -0.069 0.000 1.281 1594 P CA 0.215 63.274 63.100 -0.069 0.000 0.826 1594 P CB 0.197 31.869 31.700 -0.047 0.000 1.237 1595 N N 0.990 119.648 118.700 -0.069 0.000 3.131 1595 N HA 0.174 4.915 4.740 0.001 0.000 0.312 1595 N C -0.346 175.125 175.510 -0.065 0.000 1.433 1595 N CA -0.149 52.871 53.050 -0.051 0.000 1.141 1595 N CB 0.301 38.766 38.487 -0.038 0.000 1.431 1595 N HN 0.228 nan 8.380 nan 0.000 0.523 1596 L N 0.950 122.109 121.223 -0.106 0.000 2.302 1596 L HA 0.167 4.508 4.340 0.001 0.000 0.285 1596 L C 0.562 177.379 176.870 -0.089 0.000 1.090 1596 L CA -0.066 54.665 54.840 -0.181 0.000 0.866 1596 L CB 0.386 42.177 42.059 -0.445 0.000 1.244 1596 L HN 0.051 nan 8.230 nan 0.000 0.435 1597 S N 1.948 117.678 115.700 0.050 0.000 2.564 1597 S HA 0.302 4.772 4.470 0.001 0.000 0.278 1597 S C -0.471 174.234 174.600 0.175 0.000 1.333 1597 S CA -0.250 58.054 58.200 0.173 0.000 1.048 1597 S CB 0.272 63.625 63.200 0.255 0.000 0.900 1597 S HN 0.182 nan 8.310 nan 0.000 0.505 1598 Y N 1.983 122.209 120.300 -0.123 0.000 2.376 1598 Y HA 0.533 5.084 4.550 0.001 0.000 0.325 1598 Y C 0.570 176.426 175.900 -0.074 0.000 1.199 1598 Y CA -0.895 57.115 58.100 -0.151 0.000 1.206 1598 Y CB 0.590 38.620 38.460 -0.717 0.000 1.229 1598 Y HN 0.413 nan 8.280 nan 0.000 0.480 1599 I N 3.851 124.499 120.570 0.130 0.000 2.474 1599 I HA 0.362 4.533 4.170 0.001 0.000 0.294 1599 I C -0.696 175.531 176.117 0.184 0.000 1.005 1599 I CA -0.780 60.551 61.300 0.052 0.000 1.113 1599 I CB 1.689 39.578 38.000 -0.185 0.000 1.289 1599 I HN 0.384 nan 8.210 nan 0.000 0.436 1600 I N 4.957 125.650 120.570 0.205 0.000 2.325 1600 I HA 0.479 4.650 4.170 0.001 0.000 0.291 1600 I C 0.656 176.848 176.117 0.126 0.000 1.019 1600 I CA 0.083 61.508 61.300 0.209 0.000 1.302 1600 I CB 1.138 39.252 38.000 0.190 0.000 1.401 1600 I HN 0.681 nan 8.210 nan 0.000 0.485 1601 G N 4.314 113.186 108.800 0.119 0.000 3.022 1601 G HA2 0.307 4.268 3.960 0.001 0.000 0.284 1601 G HA3 0.307 4.268 3.960 0.001 0.000 0.284 1601 G C 0.468 175.423 174.900 0.092 0.000 1.375 1601 G CA -0.651 44.493 45.100 0.074 0.000 0.902 1601 G HN 0.689 nan 8.290 nan 0.000 0.538 1602 K N -0.895 119.527 120.400 0.037 0.000 2.242 1602 K HA -0.158 4.163 4.320 0.001 0.000 0.206 1602 K C 0.643 177.257 176.600 0.023 0.000 1.045 1602 K CA 2.169 58.459 56.287 0.005 0.000 0.930 1602 K CB 0.081 32.564 32.500 -0.028 0.000 0.726 1602 K HN 0.291 nan 8.250 nan 0.000 0.462 1603 D N 0.865 121.294 120.400 0.048 0.000 2.349 1603 D HA 0.039 4.680 4.640 0.001 0.000 0.214 1603 D C -0.285 176.084 176.300 0.116 0.000 1.063 1603 D CA 0.355 54.390 54.000 0.058 0.000 0.847 1603 D CB 0.526 41.350 40.800 0.040 0.000 0.933 1603 D HN 0.261 nan 8.370 nan 0.000 0.513 1604 T N -0.003 114.646 114.554 0.157 0.000 2.882 1604 T HA 0.162 4.513 4.350 0.001 0.000 0.287 1604 T C -0.316 174.529 174.700 0.243 0.000 0.992 1604 T CA -0.597 61.629 62.100 0.210 0.000 1.076 1604 T CB 1.821 70.826 68.868 0.228 0.000 0.961 1604 T HN 0.085 nan 8.240 nan 0.000 0.490 1605 W N 3.564 124.767 121.300 -0.162 0.000 2.314 1605 W HA 0.585 5.246 4.660 0.001 0.000 0.310 1605 W C -1.386 174.954 176.519 -0.298 0.000 1.075 1605 W CA -0.895 56.173 57.345 -0.460 0.000 1.253 1605 W CB 0.866 29.433 29.460 -1.490 0.000 1.238 1605 W HN 0.362 nan 8.180 nan 0.000 0.440 1606 V N 6.772 126.378 119.914 -0.513 0.000 2.384 1606 V HA 0.305 4.426 4.120 0.001 0.000 0.287 1606 V C -0.790 174.630 176.094 -1.125 0.000 1.020 1606 V CA -0.313 61.538 62.300 -0.749 0.000 0.850 1606 V CB 1.712 33.099 31.823 -0.727 0.000 0.987 1606 V HN 0.620 nan 8.190 nan 0.000 0.436 1607 E N 4.784 124.475 120.200 -0.848 0.000 2.246 1607 E HA 0.286 4.637 4.350 0.001 0.000 0.266 1607 E C -0.972 175.528 176.600 -0.167 0.000 0.880 1607 E CA -0.783 55.187 56.400 -0.718 0.000 0.762 1607 E CB 1.060 30.162 29.700 -0.996 0.000 1.180 1607 E HN 0.874 nan 8.360 nan 0.000 0.416 1608 H N 5.148 124.107 119.070 -0.185 0.000 3.107 1608 H HA -0.083 4.474 4.556 0.001 0.000 0.301 1608 H C -1.251 173.939 175.328 -0.230 0.000 0.981 1608 H CA 0.553 56.437 56.048 -0.274 0.000 1.443 1608 H CB 0.362 30.024 29.762 -0.167 0.000 1.479 1608 H HN 0.458 nan 8.280 nan 0.000 0.564 1609 W N 8.779 129.626 121.300 -0.755 0.000 2.294 1609 W HA 0.297 4.958 4.660 0.001 0.000 0.314 1609 W C -2.561 173.701 176.519 -0.428 0.000 1.044 1609 W CA -2.995 54.110 57.345 -0.400 0.000 1.284 1609 W CB 0.859 30.146 29.460 -0.288 0.000 1.231 1609 W HN 0.566 nan 8.180 nan 0.000 0.419 1610 P HA -0.081 nan 4.420 nan 0.000 0.266 1610 P C -0.028 177.374 177.300 0.170 0.000 1.195 1610 P CA 0.481 63.737 63.100 0.261 0.000 0.768 1610 P CB 0.811 32.656 31.700 0.241 0.000 0.838 1611 E N 1.550 121.800 120.200 0.084 0.000 2.416 1611 E HA -0.036 4.315 4.350 0.001 0.000 0.254 1611 E C 1.259 177.863 176.600 0.007 0.000 1.241 1611 E CA 0.255 56.672 56.400 0.030 0.000 0.969 1611 E CB 0.224 29.948 29.700 0.040 0.000 0.999 1611 E HN 0.377 nan 8.360 nan 0.000 0.481 1612 E N 0.200 120.375 120.200 -0.042 0.000 2.023 1612 E HA -0.218 4.133 4.350 0.001 0.000 0.196 1612 E C 1.405 178.007 176.600 0.003 0.000 1.003 1612 E CA 1.620 57.998 56.400 -0.037 0.000 0.809 1612 E CB -0.103 29.559 29.700 -0.063 0.000 0.755 1612 E HN 0.654 nan 8.360 nan 0.000 0.449 1613 D N 0.309 120.712 120.400 0.005 0.000 2.224 1613 D HA -0.185 4.456 4.640 0.001 0.000 0.205 1613 D C 1.561 177.875 176.300 0.024 0.000 0.965 1613 D CA 0.823 54.831 54.000 0.013 0.000 0.852 1613 D CB -0.342 40.463 40.800 0.009 0.000 0.947 1613 D HN 0.177 nan 8.370 nan 0.000 0.494 1614 E N -0.356 119.864 120.200 0.033 0.000 2.478 1614 E HA -0.050 4.300 4.350 0.001 0.000 0.198 1614 E C 1.474 178.105 176.600 0.052 0.000 1.046 1614 E CA -0.020 56.405 56.400 0.042 0.000 0.870 1614 E CB -0.060 29.673 29.700 0.055 0.000 0.818 1614 E HN 0.237 nan 8.360 nan 0.000 0.527 1615 c N 0.831 119.465 118.600 0.057 0.000 2.429 1615 c HA -0.091 4.480 4.570 0.001 0.000 0.277 1615 c C 1.349 175.466 174.090 0.045 0.000 1.262 1615 c CA 0.507 56.874 56.329 0.065 0.000 1.733 1615 c CB -0.572 41.983 42.510 0.074 0.000 2.010 1615 c HN 0.406 nan 8.230 nan 0.000 0.483 1616 Q N 1.358 121.178 119.800 0.034 0.000 2.815 1616 Q HA 0.147 4.487 4.340 0.001 0.000 0.235 1616 Q C -0.653 175.360 176.000 0.021 0.000 1.354 1616 Q CA 0.583 56.401 55.803 0.026 0.000 0.953 1616 Q CB -0.165 28.586 28.738 0.021 0.000 1.613 1616 Q HN 0.579 nan 8.270 nan 0.000 0.572 1617 D N 0.643 121.056 120.400 0.021 0.000 2.837 1617 D HA 0.063 4.704 4.640 0.001 0.000 0.220 1617 D C -0.601 175.706 176.300 0.012 0.000 1.236 1617 D CA -0.400 53.609 54.000 0.015 0.000 0.838 1617 D CB 1.466 42.276 40.800 0.015 0.000 1.647 1617 D HN 0.224 nan 8.370 nan 0.000 0.486 1618 E N 1.146 121.351 120.200 0.008 0.000 2.322 1618 E HA 0.016 4.367 4.350 0.001 0.000 0.195 1618 E C 0.306 176.907 176.600 0.002 0.000 1.198 1618 E CA 0.509 56.912 56.400 0.005 0.000 1.132 1618 E CB 0.456 30.159 29.700 0.004 0.000 1.213 1618 E HN 0.394 nan 8.360 nan 0.000 0.450 1619 E N -0.813 119.388 120.200 0.002 0.000 2.603 1619 E HA 0.090 4.441 4.350 0.001 0.000 0.218 1619 E C 0.436 177.033 176.600 -0.004 0.000 0.878 1619 E CA -0.014 56.383 56.400 -0.004 0.000 1.348 1619 E CB 0.591 30.285 29.700 -0.009 0.000 1.318 1619 E HN 0.048 nan 8.360 nan 0.000 0.673 1620 N N 0.737 119.440 118.700 0.005 0.000 2.200 1620 N HA 0.047 4.788 4.740 0.001 0.000 0.224 1620 N C 1.061 176.583 175.510 0.019 0.000 1.179 1620 N CA 0.094 53.151 53.050 0.013 0.000 0.877 1620 N CB 0.662 39.167 38.487 0.030 0.000 1.072 1620 N HN 0.098 nan 8.380 nan 0.000 0.519 1621 Q N 1.356 121.164 119.800 0.014 0.000 2.030 1621 Q HA -0.094 4.247 4.340 0.001 0.000 0.204 1621 Q C 1.317 177.326 176.000 0.015 0.000 0.986 1621 Q CA 1.600 57.413 55.803 0.017 0.000 0.843 1621 Q CB 0.273 29.018 28.738 0.012 0.000 0.904 1621 Q HN 0.232 nan 8.270 nan 0.000 0.420 1622 K N 0.018 120.422 120.400 0.006 0.000 2.031 1622 K HA -0.175 4.145 4.320 0.001 0.000 0.205 1622 K C 2.172 178.769 176.600 -0.006 0.000 1.049 1622 K CA 1.249 57.538 56.287 0.003 0.000 0.939 1622 K CB -0.333 32.167 32.500 -0.001 0.000 0.717 1622 K HN 0.325 nan 8.250 nan 0.000 0.438 1623 Q N 1.087 120.877 119.800 -0.018 0.000 2.061 1623 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 1623 Q C 2.234 178.191 176.000 -0.072 0.000 0.984 1623 Q CA 1.702 57.474 55.803 -0.052 0.000 0.846 1623 Q CB -0.162 28.544 28.738 -0.054 0.000 0.902 1623 Q HN 0.331 nan 8.270 nan 0.000 0.421 1624 c N 0.438 119.029 118.600 -0.014 0.000 2.429 1624 c HA -0.145 4.425 4.570 0.001 0.000 0.277 1624 c C 2.747 176.867 174.090 0.051 0.000 1.262 1624 c CA 1.269 57.621 56.329 0.040 0.000 1.733 1624 c CB -0.805 41.758 42.510 0.087 0.000 2.010 1624 c HN 0.661 nan 8.230 nan 0.000 0.483 1625 Q N 0.216 120.038 119.800 0.035 0.000 2.049 1625 Q HA -0.169 4.171 4.340 0.001 0.000 0.198 1625 Q C 1.636 177.660 176.000 0.040 0.000 0.971 1625 Q CA 1.768 57.597 55.803 0.044 0.000 0.833 1625 Q CB -0.065 28.693 28.738 0.033 0.000 0.896 1625 Q HN 0.573 nan 8.270 nan 0.000 0.434 1626 D N 0.252 120.661 120.400 0.014 0.000 2.097 1626 D HA -0.129 4.511 4.640 0.001 0.000 0.197 1626 D C 1.882 178.196 176.300 0.023 0.000 0.984 1626 D CA 0.918 54.931 54.000 0.022 0.000 0.826 1626 D CB -0.139 40.664 40.800 0.004 0.000 0.973 1626 D HN 0.264 nan 8.370 nan 0.000 0.460 1627 L N 0.258 121.419 121.223 -0.103 0.000 2.131 1627 L HA -0.064 4.277 4.340 0.001 0.000 0.210 1627 L C 2.442 179.318 176.870 0.010 0.000 1.092 1627 L CA 1.255 55.936 54.840 -0.266 0.000 0.759 1627 L CB -0.581 40.977 42.059 -0.836 0.000 0.903 1627 L HN 0.098 nan 8.230 nan 0.000 0.435 1628 G N -0.523 108.347 108.800 0.117 0.000 2.394 1628 G HA2 -0.170 3.791 3.960 0.001 0.000 0.215 1628 G HA3 -0.170 3.791 3.960 0.001 0.000 0.215 1628 G C 1.790 176.794 174.900 0.173 0.000 1.165 1628 G CA 0.680 45.907 45.100 0.211 0.000 0.784 1628 G HN 0.439 nan 8.290 nan 0.000 0.535 1629 A N 0.513 123.412 122.820 0.131 0.000 1.933 1629 A HA 0.058 4.379 4.320 0.001 0.000 0.218 1629 A C 2.150 179.809 177.584 0.125 0.000 1.175 1629 A CA 1.518 53.617 52.037 0.104 0.000 0.628 1629 A CB -0.579 18.466 19.000 0.075 0.000 0.814 1629 A HN 0.441 nan 8.150 nan 0.000 0.444 1630 F N 1.814 121.776 119.950 0.020 0.000 2.126 1630 F HA -0.207 4.321 4.527 0.001 0.000 0.299 1630 F C 2.369 178.197 175.800 0.048 0.000 1.096 1630 F CA 2.339 60.355 58.000 0.025 0.000 1.255 1630 F CB -0.483 38.533 39.000 0.027 0.000 0.997 1630 F HN 0.246 nan 8.300 nan 0.000 0.479 1631 T N -0.622 114.067 114.554 0.226 0.000 2.737 1631 T HA -0.218 4.132 4.350 0.001 0.000 0.265 1631 T C 1.783 176.500 174.700 0.027 0.000 1.038 1631 T CA 1.528 63.726 62.100 0.163 0.000 1.144 1631 T CB -0.487 68.570 68.868 0.314 0.000 0.866 1631 T HN 0.418 nan 8.240 nan 0.000 0.434 1632 E N 0.703 120.935 120.200 0.053 0.000 2.110 1632 E HA -0.129 4.221 4.350 0.001 0.000 0.193 1632 E C 2.397 179.008 176.600 0.019 0.000 0.988 1632 E CA 1.017 57.444 56.400 0.046 0.000 0.804 1632 E CB -0.150 29.587 29.700 0.062 0.000 0.745 1632 E HN 0.391 nan 8.360 nan 0.000 0.458 1633 S N -0.514 115.157 115.700 -0.049 0.000 2.399 1633 S HA -0.122 4.349 4.470 0.001 0.000 0.231 1633 S C 1.869 176.412 174.600 -0.095 0.000 1.022 1633 S CA 0.995 59.138 58.200 -0.094 0.000 0.983 1633 S CB -0.044 63.042 63.200 -0.189 0.000 0.803 1633 S HN 0.247 nan 8.310 nan 0.000 0.480 1634 M N 0.472 119.956 119.600 -0.194 0.000 2.287 1634 M HA 0.066 4.547 4.480 0.001 0.000 0.266 1634 M C 2.125 178.395 176.300 -0.050 0.000 1.079 1634 M CA 0.818 56.004 55.300 -0.190 0.000 1.146 1634 M CB -1.086 31.304 32.600 -0.350 0.000 1.374 1634 M HN 0.223 nan 8.290 nan 0.000 0.435 1635 V N -0.222 119.686 119.914 -0.010 0.000 2.256 1635 V HA -0.149 3.971 4.120 0.001 0.000 0.240 1635 V C 2.531 178.650 176.094 0.043 0.000 1.036 1635 V CA 1.240 63.556 62.300 0.027 0.000 1.008 1635 V CB -0.620 31.228 31.823 0.042 0.000 0.648 1635 V HN 0.155 nan 8.190 nan 0.000 0.453 1636 V N -0.853 119.105 119.914 0.072 0.000 2.270 1636 V HA -0.217 3.904 4.120 0.001 0.000 0.245 1636 V C 2.151 178.277 176.094 0.053 0.000 1.043 1636 V CA 2.202 64.545 62.300 0.072 0.000 1.014 1636 V CB -0.692 31.203 31.823 0.121 0.000 0.645 1636 V HN 0.393 nan 8.190 nan 0.000 0.447 1637 F N 0.526 120.452 119.950 -0.039 0.000 2.104 1637 F HA 0.434 4.962 4.527 0.001 0.000 0.288 1637 F C 1.597 177.370 175.800 -0.044 0.000 1.107 1637 F CA 1.254 59.230 58.000 -0.041 0.000 1.208 1637 F CB -0.729 38.241 39.000 -0.049 0.000 1.033 1637 F HN 0.315 nan 8.300 nan 0.000 0.478 1638 G N -0.160 108.725 108.800 0.142 0.000 3.285 1638 G HA2 -0.219 3.742 3.960 0.001 0.000 0.685 1638 G HA3 -0.219 3.742 3.960 0.001 0.000 0.685 1638 G C -0.234 174.702 174.900 0.060 0.000 0.938 1638 G CA -1.075 44.055 45.100 0.050 0.000 0.778 1638 G HN 0.571 nan 8.290 nan 0.000 0.515 1639 C N 4.103 123.402 119.300 -0.002 0.000 1.215 1639 C HA 0.102 4.563 4.460 0.001 0.000 0.495 1639 C C -0.141 174.867 174.990 0.031 0.000 1.369 1639 C CA 0.054 59.065 59.018 -0.011 0.000 1.778 1639 C CB -0.879 26.837 27.740 -0.039 0.000 3.241 1639 C HN 0.693 nan 8.230 nan 0.000 0.594 1640 P HA -0.007 nan 4.420 nan 0.000 0.279 1640 P C 0.638 177.964 177.300 0.043 0.000 1.451 1640 P CA 0.453 63.608 63.100 0.091 0.000 0.783 1640 P CB -0.182 31.604 31.700 0.144 0.000 1.490 1641 N N 0.000 118.713 118.700 0.021 0.000 1.763 1641 N HA 0.000 4.741 4.740 0.001 0.000 0.220 1641 N CA 0.000 53.056 53.050 0.010 0.000 0.885 1641 N CB 0.000 38.487 38.487 0.001 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667