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 1lsh_1_B DATA FIRST_RESID 1356 DATA SEQUENCE SKPKVVIVLR AVRADGKQQG LQTTLYYGLT SNGLPKAKIV AVELSDLSVW DATA SEQUENCE KLcAKFRLSA HMKAKAAIGW GKNcQQYRAM LEASTGNLQS HPAARVDIKW DATA SEQUENCE GRLPSSLQRA KNALLENGAP VIASKLEMEI MPKANQKHQV SVILAAMTPR DATA SEQUENCE RMNIIVKLPK VTYFQQGILL PFTF 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 1356 S HA 0.000 nan 4.470 nan 0.000 0.327 1356 S C 0.000 174.654 174.600 0.090 0.000 1.055 1356 S CA 0.000 58.316 58.200 0.193 0.000 1.107 1356 S CB 0.000 63.385 63.200 0.309 0.000 0.593 1357 K N 0.185 120.598 120.400 0.022 0.000 3.077 1357 K HA -0.120 4.200 4.320 -0.000 0.000 0.435 1357 K C -2.602 173.836 176.600 -0.269 0.000 0.378 1357 K CA 1.113 57.348 56.287 -0.088 0.000 1.925 1357 K CB -2.404 30.076 32.500 -0.033 0.000 0.632 1357 K HN 0.319 nan 8.250 nan 0.000 0.407 1358 P HA 0.005 nan 4.420 nan 0.000 0.271 1358 P C -0.917 176.005 177.300 -0.630 0.000 1.212 1358 P CA 0.721 63.591 63.100 -0.384 0.000 0.788 1358 P CB 0.413 31.981 31.700 -0.219 0.000 0.865 1359 K N -0.353 119.820 120.400 -0.378 0.000 2.480 1359 K HA 0.705 5.025 4.320 -0.000 0.000 0.258 1359 K C -1.502 174.969 176.600 -0.215 0.000 0.990 1359 K CA -0.878 55.191 56.287 -0.363 0.000 0.857 1359 K CB 2.031 34.303 32.500 -0.380 0.000 1.384 1359 K HN 0.009 nan 8.250 nan 0.000 0.446 1360 V N 1.470 121.271 119.914 -0.188 0.000 2.638 1360 V HA 0.445 4.565 4.120 -0.000 0.000 0.306 1360 V C -1.064 174.962 176.094 -0.113 0.000 1.052 1360 V CA -0.918 61.325 62.300 -0.095 0.000 0.885 1360 V CB 1.878 33.691 31.823 -0.017 0.000 0.999 1360 V HN 0.459 nan 8.190 nan 0.000 0.424 1361 V N 5.894 125.760 119.914 -0.080 0.000 2.555 1361 V HA 0.604 4.724 4.120 -0.000 0.000 0.302 1361 V C -0.416 175.661 176.094 -0.029 0.000 1.038 1361 V CA -0.426 61.835 62.300 -0.064 0.000 0.887 1361 V CB 1.945 33.733 31.823 -0.058 0.000 0.991 1361 V HN 0.708 nan 8.190 nan 0.000 0.434 1362 I N 4.499 125.061 120.570 -0.013 0.000 2.533 1362 I HA 0.604 4.774 4.170 -0.000 0.000 0.290 1362 I C -1.052 175.071 176.117 0.011 0.000 1.056 1362 I CA -0.854 60.446 61.300 0.001 0.000 1.057 1362 I CB 2.284 40.289 38.000 0.008 0.000 1.240 1362 I HN 0.245 nan 8.210 nan 0.000 0.423 1363 V N 6.379 126.298 119.914 0.010 0.000 2.588 1363 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 1363 V C -0.707 175.393 176.094 0.011 0.000 1.042 1363 V CA -0.626 61.683 62.300 0.015 0.000 0.877 1363 V CB 2.487 34.318 31.823 0.013 0.000 0.996 1363 V HN 0.468 nan 8.190 nan 0.000 0.425 1364 L N 5.877 127.108 121.223 0.013 0.000 2.294 1364 L HA 0.640 4.980 4.340 -0.000 0.000 0.283 1364 L C -0.166 176.706 176.870 0.003 0.000 1.015 1364 L CA 0.030 54.873 54.840 0.006 0.000 0.831 1364 L CB 0.790 42.851 42.059 0.003 0.000 1.217 1364 L HN 0.712 nan 8.230 nan 0.000 0.420 1365 R N 4.669 125.169 120.500 0.001 0.000 2.437 1365 R HA 0.817 5.157 4.340 -0.000 0.000 0.310 1365 R C -1.329 174.969 176.300 -0.003 0.000 0.955 1365 R CA -0.522 55.578 56.100 0.000 0.000 0.851 1365 R CB 1.630 31.932 30.300 0.003 0.000 1.161 1365 R HN 0.722 nan 8.270 nan 0.000 0.446 1366 A N 4.691 127.507 122.820 -0.006 0.000 2.253 1366 A HA 0.344 4.664 4.320 -0.000 0.000 0.316 1366 A C -0.354 177.227 177.584 -0.005 0.000 1.327 1366 A CA -0.659 51.373 52.037 -0.008 0.000 0.917 1366 A CB 1.044 20.037 19.000 -0.012 0.000 1.162 1366 A HN 0.513 nan 8.150 nan 0.000 0.535 1367 V N 4.925 124.837 119.914 -0.004 0.000 2.364 1367 V HA 0.101 4.220 4.120 -0.000 0.000 0.252 1367 V C 0.896 176.989 176.094 -0.003 0.000 1.075 1367 V CA -0.053 62.245 62.300 -0.002 0.000 1.033 1367 V CB -0.898 30.924 31.823 -0.002 0.000 1.116 1367 V HN 0.930 nan 8.190 nan 0.000 0.488 1368 R N 3.036 123.534 120.500 -0.003 0.000 2.738 1368 R HA 0.443 4.783 4.340 -0.000 0.000 0.275 1368 R C 1.655 177.954 176.300 -0.002 0.000 1.121 1368 R CA 0.189 56.287 56.100 -0.003 0.000 1.207 1368 R CB 0.291 30.589 30.300 -0.003 0.000 1.141 1368 R HN 0.655 nan 8.270 nan 0.000 0.571 1369 A N 0.389 123.208 122.820 -0.002 0.000 1.897 1369 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 1369 A C 1.796 179.379 177.584 -0.001 0.000 1.181 1369 A CA 1.575 53.611 52.037 -0.001 0.000 0.620 1369 A CB -0.520 18.479 19.000 -0.002 0.000 0.821 1369 A HN 0.864 nan 8.150 nan 0.000 0.443 1370 D N -0.852 119.548 120.400 -0.000 0.000 2.221 1370 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 1370 D C 1.491 177.792 176.300 0.001 0.000 0.982 1370 D CA 1.813 55.813 54.000 0.001 0.000 0.857 1370 D CB -0.181 40.620 40.800 0.001 0.000 0.934 1370 D HN 0.619 nan 8.370 nan 0.000 0.475 1371 G N 0.802 109.603 108.800 0.001 0.000 2.176 1371 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 1371 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 1371 G C 0.313 175.215 174.900 0.003 0.000 0.979 1371 G CA 0.358 45.460 45.100 0.002 0.000 0.641 1371 G HN 0.400 nan 8.290 nan 0.000 0.530 1372 K N 1.229 121.631 120.400 0.003 0.000 2.414 1372 K HA 0.257 4.577 4.320 -0.000 0.000 0.272 1372 K C 1.053 177.656 176.600 0.005 0.000 0.993 1372 K CA 0.167 56.457 56.287 0.004 0.000 0.964 1372 K CB 0.337 32.839 32.500 0.003 0.000 0.925 1372 K HN 0.473 nan 8.250 nan 0.000 0.487 1373 Q N 3.331 123.136 119.800 0.008 0.000 2.286 1373 Q HA 0.005 4.345 4.340 -0.000 0.000 0.267 1373 Q C -0.885 175.119 176.000 0.007 0.000 1.028 1373 Q CA 0.156 55.964 55.803 0.009 0.000 0.901 1373 Q CB 1.137 29.884 28.738 0.014 0.000 1.183 1373 Q HN 0.587 nan 8.270 nan 0.000 0.392 1374 Q N 1.497 121.299 119.800 0.003 0.000 2.305 1374 Q HA 0.638 4.978 4.340 -0.000 0.000 0.271 1374 Q C -1.127 174.871 176.000 -0.004 0.000 1.046 1374 Q CA -0.062 55.739 55.803 -0.003 0.000 0.798 1374 Q CB 1.687 30.420 28.738 -0.009 0.000 1.286 1374 Q HN 1.025 nan 8.270 nan 0.000 0.435 1375 G N 1.544 110.340 108.800 -0.008 0.000 2.350 1375 G HA2 0.289 4.249 3.960 -0.000 0.000 0.276 1375 G HA3 0.289 4.249 3.960 -0.000 0.000 0.276 1375 G C -2.525 172.376 174.900 0.002 0.000 1.313 1375 G CA -0.690 44.406 45.100 -0.007 0.000 0.903 1375 G HN 0.550 nan 8.290 nan 0.000 0.490 1376 L N 0.239 121.472 121.223 0.016 0.000 2.422 1376 L HA 0.791 5.131 4.340 -0.000 0.000 0.264 1376 L C -0.405 176.502 176.870 0.061 0.000 0.984 1376 L CA -0.514 54.354 54.840 0.046 0.000 0.819 1376 L CB 2.219 44.297 42.059 0.030 0.000 1.330 1376 L HN 0.866 nan 8.230 nan 0.000 0.410 1377 Q N 2.322 122.177 119.800 0.091 0.000 2.337 1377 Q HA 0.685 5.025 4.340 -0.000 0.000 0.270 1377 Q C -1.632 174.426 176.000 0.097 0.000 1.043 1377 Q CA -0.481 55.368 55.803 0.075 0.000 0.794 1377 Q CB 1.895 30.674 28.738 0.068 0.000 1.281 1377 Q HN 0.718 nan 8.270 nan 0.000 0.446 1378 T N 2.296 116.893 114.554 0.072 0.000 2.863 1378 T HA 0.553 4.902 4.350 -0.000 0.000 0.285 1378 T C -0.861 173.860 174.700 0.034 0.000 1.009 1378 T CA -0.654 61.492 62.100 0.077 0.000 0.989 1378 T CB 1.572 70.482 68.868 0.069 0.000 1.004 1378 T HN 0.644 nan 8.240 nan 0.000 0.455 1379 T N 1.000 115.575 114.554 0.034 0.000 2.963 1379 T HA 0.502 4.852 4.350 -0.000 0.000 0.328 1379 T C -0.553 174.039 174.700 -0.181 0.000 1.048 1379 T CA -0.820 61.213 62.100 -0.112 0.000 1.033 1379 T CB 0.577 69.360 68.868 -0.141 0.000 1.010 1379 T HN 0.380 nan 8.240 nan 0.000 0.469 1380 L N 4.449 125.576 121.223 -0.158 0.000 2.360 1380 L HA 0.522 4.862 4.340 -0.000 0.000 0.276 1380 L C -1.320 175.397 176.870 -0.255 0.000 1.121 1380 L CA -0.087 54.721 54.840 -0.053 0.000 0.845 1380 L CB -0.322 41.770 42.059 0.054 0.000 1.143 1380 L HN 0.644 nan 8.230 nan 0.000 0.452 1381 Y N 4.975 125.310 120.300 0.057 0.000 2.567 1381 Y HA 0.703 5.253 4.550 -0.000 0.000 0.333 1381 Y C -0.739 175.217 175.900 0.093 0.000 1.106 1381 Y CA -0.390 57.701 58.100 -0.015 0.000 1.157 1381 Y CB 1.641 40.104 38.460 0.004 0.000 1.277 1381 Y HN 0.586 nan 8.280 nan 0.000 0.490 1382 Y N -1.749 118.653 120.300 0.169 0.000 2.522 1382 Y HA 0.737 5.286 4.550 -0.000 0.000 0.326 1382 Y C -0.798 175.146 175.900 0.074 0.000 1.198 1382 Y CA -1.492 56.667 58.100 0.099 0.000 1.112 1382 Y CB 0.820 39.309 38.460 0.047 0.000 1.342 1382 Y HN 0.801 nan 8.280 nan 0.000 0.460 1383 G N 0.960 109.917 108.800 0.261 0.000 2.706 1383 G HA2 0.562 4.522 3.960 -0.000 0.000 0.307 1383 G HA3 0.562 4.522 3.960 -0.000 0.000 0.307 1383 G C -1.819 173.167 174.900 0.144 0.000 1.307 1383 G CA -1.162 44.037 45.100 0.166 0.000 0.790 1383 G HN 0.780 nan 8.290 nan 0.000 0.503 1384 L N 1.599 122.879 121.223 0.096 0.000 3.186 1384 L HA 0.288 4.627 4.340 -0.000 0.000 0.292 1384 L C 0.790 177.694 176.870 0.056 0.000 1.303 1384 L CA -0.403 54.481 54.840 0.074 0.000 0.940 1384 L CB 0.539 42.636 42.059 0.062 0.000 1.358 1384 L HN 0.448 nan 8.230 nan 0.000 0.581 1385 T N -0.865 113.723 114.554 0.057 0.000 2.558 1385 T HA -0.067 4.283 4.350 -0.000 0.000 0.363 1385 T C 1.473 176.191 174.700 0.030 0.000 1.069 1385 T CA 0.775 62.899 62.100 0.040 0.000 1.057 1385 T CB 0.514 69.406 68.868 0.040 0.000 0.997 1385 T HN 0.549 nan 8.240 nan 0.000 0.548 1386 S N 1.319 117.030 115.700 0.018 0.000 2.370 1386 S HA -0.300 4.170 4.470 -0.000 0.000 0.329 1386 S C 0.852 175.458 174.600 0.010 0.000 1.217 1386 S CA 2.174 60.379 58.200 0.009 0.000 1.989 1386 S CB -1.019 62.181 63.200 -0.000 0.000 2.298 1386 S HN 1.033 nan 8.310 nan 0.000 0.555 1387 N N -0.128 118.582 118.700 0.016 0.000 2.605 1387 N HA 0.399 5.139 4.740 -0.000 0.000 0.265 1387 N C 0.454 175.980 175.510 0.027 0.000 1.625 1387 N CA 0.554 53.615 53.050 0.019 0.000 0.862 1387 N CB 0.495 38.990 38.487 0.014 0.000 1.415 1387 N HN 0.978 nan 8.380 nan 0.000 0.513 1388 G N 0.470 109.288 108.800 0.030 0.000 2.234 1388 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 1388 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 1388 G C -0.103 174.821 174.900 0.040 0.000 0.987 1388 G CA 0.707 45.827 45.100 0.034 0.000 0.625 1388 G HN 0.422 nan 8.290 nan 0.000 0.532 1389 L N 0.203 121.453 121.223 0.045 0.000 2.281 1389 L HA 0.678 5.018 4.340 -0.000 0.000 0.285 1389 L C -1.978 174.935 176.870 0.072 0.000 1.074 1389 L CA -2.787 52.087 54.840 0.057 0.000 0.817 1389 L CB -0.269 41.824 42.059 0.056 0.000 1.168 1389 L HN -0.163 nan 8.230 nan 0.000 0.434 1390 P HA 0.138 nan 4.420 nan 0.000 0.266 1390 P C -0.627 176.747 177.300 0.124 0.000 1.186 1390 P CA 0.055 63.198 63.100 0.071 0.000 0.767 1390 P CB 0.469 32.179 31.700 0.016 0.000 0.820 1391 K N 1.199 121.676 120.400 0.128 0.000 2.527 1391 K HA 0.798 5.118 4.320 -0.000 0.000 0.260 1391 K C -1.848 174.864 176.600 0.187 0.000 0.937 1391 K CA -0.801 55.592 56.287 0.176 0.000 0.826 1391 K CB 1.833 34.418 32.500 0.141 0.000 1.359 1391 K HN 0.474 nan 8.250 nan 0.000 0.434 1392 A N 2.761 125.708 122.820 0.212 0.000 2.606 1392 A HA 0.732 5.052 4.320 -0.000 0.000 0.293 1392 A C -1.737 175.983 177.584 0.226 0.000 1.082 1392 A CA -0.840 51.334 52.037 0.229 0.000 0.685 1392 A CB 1.703 20.779 19.000 0.128 0.000 1.284 1392 A HN 0.630 nan 8.150 nan 0.000 0.408 1393 K N 0.370 120.920 120.400 0.250 0.000 2.532 1393 K HA 0.699 5.018 4.320 -0.000 0.000 0.265 1393 K C -1.716 175.051 176.600 0.279 0.000 0.948 1393 K CA -0.507 55.911 56.287 0.218 0.000 0.842 1393 K CB 2.542 35.123 32.500 0.135 0.000 1.392 1393 K HN 0.584 nan 8.250 nan 0.000 0.436 1394 I N 2.131 122.829 120.570 0.213 0.000 2.512 1394 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 1394 I C -0.851 175.366 176.117 0.167 0.000 1.069 1394 I CA -1.100 60.316 61.300 0.193 0.000 1.056 1394 I CB 1.961 40.038 38.000 0.130 0.000 1.229 1394 I HN 0.186 nan 8.210 nan 0.000 0.429 1395 V N 4.662 124.697 119.914 0.201 0.000 2.628 1395 V HA 0.860 4.980 4.120 -0.000 0.000 0.306 1395 V C -0.071 176.106 176.094 0.138 0.000 1.045 1395 V CA -0.454 61.937 62.300 0.152 0.000 0.905 1395 V CB 1.947 33.892 31.823 0.202 0.000 0.997 1395 V HN 0.852 nan 8.190 nan 0.000 0.436 1396 A N 3.947 126.839 122.820 0.119 0.000 2.437 1396 A HA 0.861 5.181 4.320 -0.000 0.000 0.293 1396 A C -0.962 176.784 177.584 0.271 0.000 1.038 1396 A CA -0.474 51.684 52.037 0.201 0.000 0.708 1396 A CB 1.794 20.957 19.000 0.272 0.000 1.251 1396 A HN 1.435 nan 8.150 nan 0.000 0.409 1397 V N -0.281 119.796 119.914 0.271 0.000 3.001 1397 V HA 0.712 4.832 4.120 -0.000 0.000 0.314 1397 V C -0.242 176.022 176.094 0.282 0.000 1.099 1397 V CA -0.927 61.558 62.300 0.309 0.000 0.989 1397 V CB 1.575 33.503 31.823 0.175 0.000 1.040 1397 V HN 0.882 nan 8.190 nan 0.000 0.434 1398 E N 1.330 121.702 120.200 0.287 0.000 2.374 1398 E HA 0.358 4.708 4.350 -0.000 0.000 0.260 1398 E C 0.295 176.956 176.600 0.103 0.000 1.101 1398 E CA -0.418 56.068 56.400 0.142 0.000 0.907 1398 E CB 1.653 31.414 29.700 0.102 0.000 1.014 1398 E HN 0.665 nan 8.360 nan 0.000 0.427 1399 L N 0.900 122.160 121.223 0.061 0.000 2.558 1399 L HA 0.035 4.375 4.340 -0.000 0.000 0.225 1399 L C 1.206 178.101 176.870 0.042 0.000 1.128 1399 L CA 0.030 54.899 54.840 0.049 0.000 0.868 1399 L CB 0.211 42.289 42.059 0.032 0.000 1.006 1399 L HN 0.311 nan 8.230 nan 0.000 0.454 1400 S N 0.806 116.532 115.700 0.042 0.000 2.481 1400 S HA -0.043 4.427 4.470 -0.000 0.000 0.276 1400 S C 1.268 175.895 174.600 0.045 0.000 1.247 1400 S CA -0.642 57.580 58.200 0.036 0.000 1.053 1400 S CB 0.553 63.772 63.200 0.031 0.000 0.925 1400 S HN 0.415 nan 8.310 nan 0.000 0.491 1401 D N 5.117 125.539 120.400 0.036 0.000 2.351 1401 D HA -0.152 4.488 4.640 -0.000 0.000 0.216 1401 D C 1.388 177.711 176.300 0.037 0.000 0.968 1401 D CA 0.878 54.899 54.000 0.036 0.000 0.899 1401 D CB -0.096 40.720 40.800 0.027 0.000 0.907 1401 D HN 0.641 nan 8.370 nan 0.000 0.514 1402 L N -0.079 121.166 121.223 0.037 0.000 2.478 1402 L HA 0.032 4.372 4.340 -0.000 0.000 0.223 1402 L C 1.365 178.267 176.870 0.053 0.000 1.140 1402 L CA 0.003 54.866 54.840 0.038 0.000 0.842 1402 L CB -0.120 41.957 42.059 0.031 0.000 0.953 1402 L HN -0.048 nan 8.230 nan 0.000 0.452 1403 S N -0.805 114.937 115.700 0.071 0.000 2.537 1403 S HA 0.178 4.648 4.470 -0.000 0.000 0.275 1403 S C 0.458 175.126 174.600 0.113 0.000 1.272 1403 S CA -0.405 57.859 58.200 0.107 0.000 1.050 1403 S CB 2.171 65.456 63.200 0.141 0.000 0.961 1403 S HN -0.026 nan 8.310 nan 0.000 0.496 1404 V N 6.447 126.435 119.914 0.123 0.000 3.578 1404 V HA 0.310 4.430 4.120 -0.000 0.000 0.290 1404 V C 0.109 176.270 176.094 0.112 0.000 1.376 1404 V CA -0.636 61.716 62.300 0.086 0.000 1.083 1404 V CB -0.437 31.410 31.823 0.040 0.000 0.911 1404 V HN 0.912 nan 8.190 nan 0.000 0.433 1405 W N 2.263 123.578 121.300 0.025 0.000 2.193 1405 W HA 0.337 4.997 4.660 -0.000 0.000 0.338 1405 W C 0.311 176.866 176.519 0.059 0.000 1.310 1405 W CA 0.492 57.865 57.345 0.047 0.000 1.243 1405 W CB 0.361 29.860 29.460 0.065 0.000 1.165 1405 W HN 0.037 nan 8.180 nan 0.000 0.566 1406 K N 5.931 125.853 120.400 -0.796 0.000 2.575 1406 K HA 0.345 4.665 4.320 -0.000 0.000 0.255 1406 K C -2.194 173.834 176.600 -0.953 0.000 0.953 1406 K CA -0.863 55.051 56.287 -0.622 0.000 0.840 1406 K CB 0.990 33.336 32.500 -0.256 0.000 1.303 1406 K HN 0.547 nan 8.250 nan 0.000 0.438 1407 L N 4.946 125.723 121.223 -0.744 0.000 2.287 1407 L HA 0.593 4.933 4.340 -0.000 0.000 0.287 1407 L C -1.512 175.302 176.870 -0.093 0.000 1.022 1407 L CA -0.212 54.416 54.840 -0.353 0.000 0.814 1407 L CB 1.083 43.071 42.059 -0.118 0.000 1.217 1407 L HN 0.739 nan 8.230 nan 0.000 0.420 1408 c N 4.961 123.549 118.600 -0.021 0.000 2.346 1408 c HA 0.870 5.440 4.570 -0.000 0.000 0.326 1408 c C 0.182 174.308 174.090 0.060 0.000 1.224 1408 c CA -0.816 55.525 56.329 0.020 0.000 1.408 1408 c CB 0.387 42.895 42.510 -0.004 0.000 2.089 1408 c HN 0.898 nan 8.230 nan 0.000 0.456 1409 A N 4.016 126.879 122.820 0.071 0.000 2.343 1409 A HA 0.815 5.135 4.320 -0.000 0.000 0.308 1409 A C -0.774 176.872 177.584 0.103 0.000 1.092 1409 A CA -0.596 51.492 52.037 0.085 0.000 0.751 1409 A CB 0.775 19.822 19.000 0.079 0.000 1.203 1409 A HN 0.857 nan 8.150 nan 0.000 0.452 1410 K N 1.353 121.811 120.400 0.097 0.000 2.259 1410 K HA 0.694 5.014 4.320 -0.000 0.000 0.252 1410 K C -1.725 174.961 176.600 0.145 0.000 0.936 1410 K CA -0.439 55.913 56.287 0.108 0.000 0.810 1410 K CB 2.435 34.967 32.500 0.053 0.000 1.143 1410 K HN 0.517 nan 8.250 nan 0.000 0.427 1411 F N 1.632 121.607 119.950 0.041 0.000 2.565 1411 F HA 0.506 5.033 4.527 -0.000 0.000 0.313 1411 F C -1.078 174.741 175.800 0.031 0.000 1.091 1411 F CA -0.712 57.309 58.000 0.035 0.000 0.915 1411 F CB 1.834 40.854 39.000 0.034 0.000 1.208 1411 F HN 0.378 nan 8.300 nan 0.000 0.453 1412 R N 5.115 125.691 120.500 0.125 0.000 2.522 1412 R HA 0.452 4.792 4.340 -0.000 0.000 0.283 1412 R C -1.993 174.386 176.300 0.132 0.000 1.074 1412 R CA -1.030 55.171 56.100 0.169 0.000 0.925 1412 R CB 2.155 32.462 30.300 0.012 0.000 1.205 1412 R HN 0.543 nan 8.270 nan 0.000 0.436 1413 L N 2.659 124.058 121.223 0.293 0.000 2.494 1413 L HA 0.299 4.639 4.340 -0.000 0.000 0.251 1413 L C -0.222 176.718 176.870 0.116 0.000 1.119 1413 L CA 0.147 55.141 54.840 0.257 0.000 1.026 1413 L CB 0.977 43.212 42.059 0.294 0.000 1.370 1413 L HN 0.544 nan 8.230 nan 0.000 0.426 1414 S N 1.041 116.772 115.700 0.051 0.000 2.569 1414 S HA 0.186 4.656 4.470 -0.000 0.000 0.274 1414 S C 1.588 176.215 174.600 0.045 0.000 1.353 1414 S CA 0.276 58.484 58.200 0.013 0.000 1.023 1414 S CB 1.080 64.253 63.200 -0.045 0.000 0.876 1414 S HN 0.725 nan 8.310 nan 0.000 0.540 1415 A N 1.960 124.794 122.820 0.024 0.000 1.858 1415 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 1415 A C 1.093 178.811 177.584 0.223 0.000 1.190 1415 A CA 1.386 53.486 52.037 0.106 0.000 0.617 1415 A CB -0.987 18.076 19.000 0.106 0.000 0.827 1415 A HN 0.841 nan 8.150 nan 0.000 0.443 1416 H N -1.164 117.918 119.070 0.020 0.000 4.154 1416 H HA 0.142 4.698 4.556 -0.000 0.000 0.224 1416 H C 0.749 176.091 175.328 0.022 0.000 1.227 1416 H CA 0.570 56.629 56.048 0.018 0.000 1.274 1416 H CB -1.071 28.698 29.762 0.012 0.000 1.426 1416 H HN 0.456 nan 8.280 nan 0.000 0.788 1417 M N -0.224 119.460 119.600 0.141 0.000 2.173 1417 M HA -0.319 4.161 4.480 -0.000 0.000 0.197 1417 M C -0.758 175.592 176.300 0.084 0.000 0.296 1417 M CA 0.657 56.013 55.300 0.094 0.000 0.385 1417 M CB -1.070 31.574 32.600 0.074 0.000 1.141 1417 M HN 0.320 nan 8.290 nan 0.000 0.938 1418 K N 0.342 120.789 120.400 0.078 0.000 2.210 1418 K HA 0.895 5.215 4.320 -0.000 0.000 0.236 1418 K C -0.331 176.282 176.600 0.022 0.000 1.016 1418 K CA -0.354 55.959 56.287 0.043 0.000 0.913 1418 K CB 1.427 33.942 32.500 0.024 0.000 1.141 1418 K HN 0.330 nan 8.250 nan 0.000 0.462 1419 A N 1.751 124.550 122.820 -0.036 0.000 2.530 1419 A HA 0.321 4.641 4.320 -0.000 0.000 0.279 1419 A C -1.134 176.265 177.584 -0.309 0.000 1.109 1419 A CA -0.884 51.070 52.037 -0.139 0.000 0.763 1419 A CB 0.532 19.537 19.000 0.009 0.000 1.257 1419 A HN 0.605 nan 8.150 nan 0.000 0.424 1420 K N 0.730 120.876 120.400 -0.423 0.000 2.168 1420 K HA 0.902 5.222 4.320 -0.000 0.000 0.239 1420 K C -0.355 175.918 176.600 -0.544 0.000 0.999 1420 K CA -0.619 55.458 56.287 -0.350 0.000 0.900 1420 K CB 2.265 34.648 32.500 -0.195 0.000 1.111 1420 K HN 1.159 nan 8.250 nan 0.000 0.452 1421 A N 0.539 123.185 122.820 -0.291 0.000 2.521 1421 A HA 0.557 4.877 4.320 -0.000 0.000 0.298 1421 A C -1.588 175.967 177.584 -0.049 0.000 1.044 1421 A CA -0.623 51.291 52.037 -0.203 0.000 0.911 1421 A CB 0.912 19.788 19.000 -0.206 0.000 1.376 1421 A HN 0.691 nan 8.150 nan 0.000 0.392 1422 A N 1.831 124.651 122.820 0.001 0.000 2.322 1422 A HA 0.956 5.276 4.320 -0.000 0.000 0.327 1422 A C -0.525 177.116 177.584 0.096 0.000 1.134 1422 A CA -0.543 51.526 52.037 0.054 0.000 0.831 1422 A CB 1.064 20.090 19.000 0.044 0.000 1.288 1422 A HN 1.909 nan 8.150 nan 0.000 0.472 1423 I N 0.396 121.064 120.570 0.164 0.000 2.571 1423 I HA 0.651 4.821 4.170 -0.000 0.000 0.289 1423 I C -0.215 176.149 176.117 0.411 0.000 1.115 1423 I CA -0.309 61.122 61.300 0.218 0.000 1.045 1423 I CB 1.858 39.932 38.000 0.124 0.000 1.238 1423 I HN 0.759 nan 8.210 nan 0.000 0.424 1424 G N 6.491 115.500 108.800 0.348 0.000 2.544 1424 G HA2 0.624 4.584 3.960 -0.000 0.000 0.313 1424 G HA3 0.624 4.584 3.960 -0.000 0.000 0.313 1424 G C -1.803 173.334 174.900 0.394 0.000 1.316 1424 G CA -0.652 44.645 45.100 0.328 0.000 0.944 1424 G HN 0.836 nan 8.290 nan 0.000 0.489 1425 W N 1.536 122.794 121.300 -0.071 0.000 3.038 1425 W HA 0.840 5.500 4.660 -0.000 0.000 0.347 1425 W C 0.496 176.870 176.519 -0.242 0.000 1.219 1425 W CA -0.847 56.370 57.345 -0.212 0.000 1.142 1425 W CB 0.967 30.406 29.460 -0.036 0.000 1.484 1425 W HN 1.580 nan 8.180 nan 0.000 0.586 1426 G N 0.926 109.548 108.800 -0.296 0.000 2.443 1426 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.209 1426 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.209 1426 G C 0.587 175.297 174.900 -0.318 0.000 1.176 1426 G CA -0.021 44.869 45.100 -0.350 0.000 1.074 1426 G HN 0.561 nan 8.290 nan 0.000 0.577 1427 K N 0.934 121.168 120.400 -0.276 0.000 2.103 1427 K HA -0.026 4.293 4.320 -0.000 0.000 0.207 1427 K C 1.243 177.758 176.600 -0.141 0.000 1.048 1427 K CA 1.859 58.053 56.287 -0.155 0.000 0.930 1427 K CB -0.287 32.119 32.500 -0.158 0.000 0.716 1427 K HN 0.533 nan 8.250 nan 0.000 0.444 1428 N N -0.832 117.755 118.700 -0.188 0.000 2.453 1428 N HA -0.001 4.739 4.740 -0.000 0.000 0.267 1428 N C -0.514 174.894 175.510 -0.170 0.000 1.482 1428 N CA 0.516 53.478 53.050 -0.148 0.000 0.841 1428 N CB 0.493 38.918 38.487 -0.104 0.000 1.408 1428 N HN 0.281 nan 8.380 nan 0.000 0.490 1429 c N 0.244 118.700 118.600 -0.241 0.000 4.365 1429 c HA -0.177 4.393 4.570 -0.000 0.000 0.299 1429 c C 0.492 174.503 174.090 -0.131 0.000 1.409 1429 c CA 0.576 56.790 56.329 -0.192 0.000 2.007 1429 c CB -2.812 39.600 42.510 -0.163 0.000 1.264 1429 c HN 0.648 nan 8.230 nan 0.000 0.777 1430 Q N -1.372 118.316 119.800 -0.185 0.000 1.930 1430 Q HA 0.116 4.456 4.340 -0.000 0.000 0.190 1430 Q C 1.590 177.453 176.000 -0.229 0.000 0.766 1430 Q CA 0.461 56.168 55.803 -0.160 0.000 0.931 1430 Q CB 0.083 28.750 28.738 -0.118 0.000 1.227 1430 Q HN 0.892 nan 8.270 nan 0.000 0.417 1431 Q N -0.112 119.461 119.800 -0.378 0.000 2.250 1431 Q HA 0.036 4.376 4.340 -0.000 0.000 0.200 1431 Q C -0.588 175.009 176.000 -0.671 0.000 0.941 1431 Q CA 0.878 56.338 55.803 -0.572 0.000 0.872 1431 Q CB 0.662 28.912 28.738 -0.813 0.000 0.965 1431 Q HN 0.129 nan 8.270 nan 0.000 0.480 1432 Y N -0.311 119.674 120.300 -0.525 0.000 2.442 1432 Y HA 0.553 5.102 4.550 -0.000 0.000 0.344 1432 Y C -0.605 174.888 175.900 -0.679 0.000 0.976 1432 Y CA -1.061 56.533 58.100 -0.844 0.000 1.040 1432 Y CB 1.675 39.073 38.460 -1.769 0.000 1.228 1432 Y HN -0.116 nan 8.280 nan 0.000 0.451 1433 R N 1.524 121.908 120.500 -0.194 0.000 2.725 1433 R HA 0.957 5.297 4.340 -0.000 0.000 0.277 1433 R C -1.509 174.948 176.300 0.260 0.000 0.987 1433 R CA -1.322 54.827 56.100 0.081 0.000 0.901 1433 R CB 2.660 32.986 30.300 0.042 0.000 1.207 1433 R HN 0.752 nan 8.270 nan 0.000 0.463 1434 A N 3.014 126.055 122.820 0.367 0.000 2.500 1434 A HA 0.504 4.824 4.320 -0.000 0.000 0.291 1434 A C -1.132 176.593 177.584 0.236 0.000 1.048 1434 A CA -0.641 51.610 52.037 0.357 0.000 0.791 1434 A CB 1.335 20.617 19.000 0.470 0.000 1.309 1434 A HN 0.602 nan 8.150 nan 0.000 0.397 1435 M N 1.239 120.940 119.600 0.169 0.000 2.654 1435 M HA 0.734 5.214 4.480 -0.000 0.000 0.310 1435 M C -0.788 175.565 176.300 0.089 0.000 1.211 1435 M CA -0.820 54.536 55.300 0.094 0.000 0.947 1435 M CB 2.137 34.766 32.600 0.048 0.000 1.647 1435 M HN 0.649 nan 8.290 nan 0.000 0.481 1436 L N 1.797 123.040 121.223 0.035 0.000 2.490 1436 L HA 0.357 4.697 4.340 -0.000 0.000 0.261 1436 L C -1.179 175.678 176.870 -0.022 0.000 1.232 1436 L CA -0.076 54.782 54.840 0.030 0.000 0.892 1436 L CB 0.997 43.080 42.059 0.040 0.000 1.085 1436 L HN 0.689 nan 8.230 nan 0.000 0.491 1437 E N 3.085 123.278 120.200 -0.012 0.000 2.200 1437 E HA 0.737 5.087 4.350 -0.000 0.000 0.283 1437 E C -0.853 175.743 176.600 -0.006 0.000 1.015 1437 E CA -0.257 56.123 56.400 -0.032 0.000 0.819 1437 E CB 1.403 31.089 29.700 -0.023 0.000 1.081 1437 E HN 0.605 nan 8.360 nan 0.000 0.397 1438 A N 3.704 126.514 122.820 -0.016 0.000 2.374 1438 A HA 0.637 4.956 4.320 -0.000 0.000 0.305 1438 A C -1.086 176.514 177.584 0.026 0.000 1.053 1438 A CA -0.745 51.303 52.037 0.017 0.000 0.726 1438 A CB 1.705 20.721 19.000 0.027 0.000 1.229 1438 A HN 0.577 nan 8.150 nan 0.000 0.431 1439 S N 0.715 116.442 115.700 0.045 0.000 2.548 1439 S HA 0.839 5.309 4.470 -0.000 0.000 0.286 1439 S C 0.008 174.650 174.600 0.071 0.000 1.098 1439 S CA -0.354 57.880 58.200 0.056 0.000 0.930 1439 S CB 1.760 64.992 63.200 0.053 0.000 1.070 1439 S HN 1.250 nan 8.310 nan 0.000 0.480 1440 T N -1.209 113.389 114.554 0.074 0.000 2.927 1440 T HA 0.983 5.333 4.350 -0.000 0.000 0.286 1440 T C 0.375 175.122 174.700 0.078 0.000 1.040 1440 T CA -0.066 62.088 62.100 0.090 0.000 1.010 1440 T CB 1.502 70.424 68.868 0.090 0.000 1.177 1440 T HN 1.423 nan 8.240 nan 0.000 0.546 1441 G N 0.733 109.586 108.800 0.087 0.000 2.403 1441 G HA2 0.306 4.266 3.960 -0.000 0.000 0.223 1441 G HA3 0.306 4.266 3.960 -0.000 0.000 0.223 1441 G C -1.977 172.960 174.900 0.062 0.000 1.287 1441 G CA -0.945 44.192 45.100 0.061 0.000 0.982 1441 G HN 0.895 nan 8.290 nan 0.000 0.471 1442 N N -0.369 118.353 118.700 0.036 0.000 2.284 1442 N HA 0.690 5.430 4.740 -0.000 0.000 0.300 1442 N C 0.481 176.003 175.510 0.020 0.000 1.047 1442 N CA -0.640 52.425 53.050 0.025 0.000 0.821 1442 N CB 2.137 40.623 38.487 -0.003 0.000 1.337 1442 N HN 0.317 nan 8.380 nan 0.000 0.482 1443 L N 0.905 122.146 121.223 0.030 0.000 2.500 1443 L HA 0.324 4.663 4.340 -0.000 0.000 0.219 1443 L C 0.396 177.275 176.870 0.016 0.000 1.057 1443 L CA 1.248 56.105 54.840 0.028 0.000 0.854 1443 L CB 0.170 42.254 42.059 0.043 0.000 1.078 1443 L HN 0.600 nan 8.230 nan 0.000 0.480 1444 Q N -1.786 118.015 119.800 0.002 0.000 2.040 1444 Q HA 0.232 4.572 4.340 -0.000 0.000 0.240 1444 Q C -0.002 175.888 176.000 -0.182 0.000 0.844 1444 Q CA 0.440 56.218 55.803 -0.041 0.000 1.003 1444 Q CB 1.020 29.776 28.738 0.030 0.000 1.281 1444 Q HN 0.201 nan 8.270 nan 0.000 0.402 1445 S N -0.486 115.100 115.700 -0.190 0.000 2.581 1445 S HA -0.121 4.349 4.470 -0.000 0.000 0.264 1445 S C -0.334 174.044 174.600 -0.370 0.000 1.362 1445 S CA 0.672 58.710 58.200 -0.270 0.000 1.150 1445 S CB -0.971 62.034 63.200 -0.326 0.000 1.424 1445 S HN 0.635 nan 8.310 nan 0.000 0.682 1446 H N 1.596 120.653 119.070 -0.021 0.000 2.469 1446 H HA 0.453 5.009 4.556 -0.000 0.000 0.342 1446 H C -2.547 172.767 175.328 -0.024 0.000 1.115 1446 H CA -1.937 54.091 56.048 -0.034 0.000 1.204 1446 H CB 1.072 30.797 29.762 -0.062 0.000 1.492 1446 H HN 0.046 nan 8.280 nan 0.000 0.499 1447 P HA 0.135 nan 4.420 nan 0.000 0.266 1447 P C -0.967 176.383 177.300 0.084 0.000 1.195 1447 P CA 0.019 63.188 63.100 0.115 0.000 0.768 1447 P CB 0.969 32.774 31.700 0.175 0.000 0.838 1448 A N 1.879 124.776 122.820 0.130 0.000 2.527 1448 A HA 0.863 5.183 4.320 -0.000 0.000 0.293 1448 A C -1.253 176.445 177.584 0.191 0.000 1.117 1448 A CA -0.446 51.666 52.037 0.124 0.000 0.723 1448 A CB 1.893 20.939 19.000 0.076 0.000 1.313 1448 A HN 0.608 nan 8.150 nan 0.000 0.411 1449 A N 0.289 123.230 122.820 0.201 0.000 2.594 1449 A HA 0.954 5.273 4.320 -0.000 0.000 0.291 1449 A C -0.583 177.083 177.584 0.137 0.000 1.105 1449 A CA -0.539 51.608 52.037 0.183 0.000 0.694 1449 A CB 1.549 20.693 19.000 0.239 0.000 1.291 1449 A HN 1.329 nan 8.150 nan 0.000 0.410 1450 R N 0.185 120.748 120.500 0.105 0.000 2.604 1450 R HA 0.609 4.949 4.340 -0.000 0.000 0.261 1450 R C -2.455 173.888 176.300 0.071 0.000 1.080 1450 R CA -0.374 55.777 56.100 0.084 0.000 0.917 1450 R CB 2.027 32.367 30.300 0.066 0.000 1.252 1450 R HN 0.710 nan 8.270 nan 0.000 0.456 1451 V N 3.001 122.958 119.914 0.071 0.000 2.623 1451 V HA 0.407 4.526 4.120 -0.000 0.000 0.304 1451 V C -1.334 174.800 176.094 0.067 0.000 1.054 1451 V CA -0.907 61.432 62.300 0.065 0.000 0.882 1451 V CB 2.028 33.895 31.823 0.073 0.000 1.002 1451 V HN 0.720 nan 8.190 nan 0.000 0.424 1452 D N 4.406 124.840 120.400 0.056 0.000 2.425 1452 D HA 0.550 5.190 4.640 -0.000 0.000 0.240 1452 D C -0.415 175.933 176.300 0.080 0.000 1.080 1452 D CA -0.094 53.941 54.000 0.059 0.000 0.836 1452 D CB 2.197 43.014 40.800 0.029 0.000 1.125 1452 D HN 0.373 nan 8.370 nan 0.000 0.525 1453 I N 2.289 122.939 120.570 0.132 0.000 2.304 1453 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 1453 I C 0.499 176.766 176.117 0.251 0.000 1.018 1453 I CA -0.452 60.967 61.300 0.199 0.000 1.260 1453 I CB 0.997 39.147 38.000 0.249 0.000 1.390 1453 I HN 0.002 nan 8.210 nan 0.000 0.475 1454 K N 6.800 127.312 120.400 0.186 0.000 2.295 1454 K HA 0.626 4.946 4.320 -0.000 0.000 0.239 1454 K C -1.829 174.908 176.600 0.228 0.000 0.991 1454 K CA -0.643 55.659 56.287 0.025 0.000 0.845 1454 K CB 2.226 34.686 32.500 -0.067 0.000 1.197 1454 K HN 0.570 nan 8.250 nan 0.000 0.441 1455 W N 0.586 121.938 121.300 0.088 0.000 3.372 1455 W HA 0.583 5.243 4.660 -0.000 0.000 0.315 1455 W C -0.618 175.913 176.519 0.020 0.000 1.223 1455 W CA -0.961 56.431 57.345 0.078 0.000 1.202 1455 W CB 0.307 29.826 29.460 0.098 0.000 1.367 1455 W HN 0.635 nan 8.180 nan 0.000 0.531 1456 G N 1.431 110.313 108.800 0.138 0.000 2.882 1456 G HA2 0.393 4.353 3.960 -0.000 0.000 0.164 1456 G HA3 0.393 4.353 3.960 -0.000 0.000 0.164 1456 G C -0.705 174.240 174.900 0.074 0.000 1.429 1456 G CA -1.334 43.758 45.100 -0.014 0.000 1.059 1456 G HN 0.785 nan 8.290 nan 0.000 0.581 1457 R N -0.799 119.710 120.500 0.016 0.000 2.590 1457 R HA 0.384 4.724 4.340 -0.000 0.000 0.274 1457 R C -1.164 175.169 176.300 0.056 0.000 1.061 1457 R CA -0.192 55.942 56.100 0.055 0.000 1.081 1457 R CB 0.116 30.456 30.300 0.067 0.000 0.984 1457 R HN 0.168 nan 8.270 nan 0.000 0.448 1458 L N 5.935 127.137 121.223 -0.035 0.000 2.370 1458 L HA 0.508 4.847 4.340 -0.000 0.000 0.266 1458 L C -2.141 174.435 176.870 -0.490 0.000 1.002 1458 L CA -2.212 52.441 54.840 -0.313 0.000 0.818 1458 L CB 2.259 44.230 42.059 -0.145 0.000 1.325 1458 L HN 0.688 nan 8.230 nan 0.000 0.418 1459 P HA 0.066 nan 4.420 nan 0.000 0.267 1459 P C 0.362 177.530 177.300 -0.220 0.000 1.209 1459 P CA 0.121 62.847 63.100 -0.623 0.000 0.763 1459 P CB 0.874 32.212 31.700 -0.602 0.000 0.816 1460 S N 2.248 117.901 115.700 -0.077 0.000 2.422 1460 S HA -0.251 4.218 4.470 -0.000 0.000 0.241 1460 S C 2.021 176.597 174.600 -0.039 0.000 1.076 1460 S CA 2.137 60.318 58.200 -0.031 0.000 1.066 1460 S CB -0.762 62.442 63.200 0.007 0.000 0.890 1460 S HN 0.730 nan 8.310 nan 0.000 0.465 1461 S N 0.862 116.538 115.700 -0.039 0.000 2.351 1461 S HA -0.109 4.361 4.470 -0.000 0.000 0.220 1461 S C 1.783 176.360 174.600 -0.038 0.000 1.035 1461 S CA 1.376 59.562 58.200 -0.024 0.000 1.031 1461 S CB -0.475 62.722 63.200 -0.004 0.000 0.928 1461 S HN 0.347 nan 8.310 nan 0.000 0.433 1462 L N 1.790 122.980 121.223 -0.056 0.000 2.131 1462 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 1462 L C 2.578 179.391 176.870 -0.094 0.000 1.092 1462 L CA 1.999 56.804 54.840 -0.058 0.000 0.759 1462 L CB -1.067 40.974 42.059 -0.030 0.000 0.903 1462 L HN 0.437 nan 8.230 nan 0.000 0.435 1463 Q N -0.383 119.359 119.800 -0.097 0.000 2.152 1463 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 1463 Q C 2.305 178.262 176.000 -0.071 0.000 0.985 1463 Q CA 1.810 57.560 55.803 -0.088 0.000 0.863 1463 Q CB -0.081 28.631 28.738 -0.043 0.000 0.904 1463 Q HN 0.409 nan 8.270 nan 0.000 0.422 1464 R N -0.723 119.746 120.500 -0.051 0.000 2.070 1464 R HA -0.110 4.230 4.340 -0.000 0.000 0.233 1464 R C 2.293 178.562 176.300 -0.051 0.000 1.137 1464 R CA 1.298 57.375 56.100 -0.038 0.000 0.945 1464 R CB -0.661 29.624 30.300 -0.024 0.000 0.845 1464 R HN 0.367 nan 8.270 nan 0.000 0.430 1465 A N 1.486 124.270 122.820 -0.061 0.000 1.940 1465 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 1465 A C 2.092 179.619 177.584 -0.095 0.000 1.176 1465 A CA 1.525 53.523 52.037 -0.065 0.000 0.631 1465 A CB -0.389 18.574 19.000 -0.062 0.000 0.814 1465 A HN 0.212 nan 8.150 nan 0.000 0.446 1466 K N -0.435 119.876 120.400 -0.150 0.000 1.980 1466 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 1466 K C 1.777 178.289 176.600 -0.147 0.000 1.043 1466 K CA 1.566 57.715 56.287 -0.230 0.000 0.938 1466 K CB -0.389 31.855 32.500 -0.427 0.000 0.724 1466 K HN 0.517 nan 8.250 nan 0.000 0.438 1467 N N 0.318 118.956 118.700 -0.104 0.000 2.334 1467 N HA -0.178 4.562 4.740 -0.000 0.000 0.187 1467 N C 1.488 176.984 175.510 -0.024 0.000 1.016 1467 N CA 1.100 54.126 53.050 -0.039 0.000 0.879 1467 N CB -0.004 38.476 38.487 -0.012 0.000 0.965 1467 N HN 0.307 nan 8.380 nan 0.000 0.438 1468 A N 0.533 123.333 122.820 -0.034 0.000 1.843 1468 A HA 0.019 4.339 4.320 -0.000 0.000 0.213 1468 A C 1.868 179.445 177.584 -0.012 0.000 1.202 1468 A CA 0.725 52.751 52.037 -0.018 0.000 0.607 1468 A CB -0.537 18.450 19.000 -0.022 0.000 0.847 1468 A HN 0.173 nan 8.150 nan 0.000 0.445 1469 L N -0.271 120.936 121.223 -0.026 0.000 2.465 1469 L HA 0.024 4.364 4.340 -0.000 0.000 0.224 1469 L C 2.273 179.151 176.870 0.013 0.000 1.145 1469 L CA 0.717 55.552 54.840 -0.009 0.000 0.834 1469 L CB -0.392 41.655 42.059 -0.019 0.000 0.944 1469 L HN 0.555 nan 8.230 nan 0.000 0.451 1470 L N -1.176 120.050 121.223 0.005 0.000 2.463 1470 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 1470 L C 2.098 179.000 176.870 0.054 0.000 1.088 1470 L CA 0.716 55.578 54.840 0.037 0.000 0.849 1470 L CB 0.235 42.307 42.059 0.021 0.000 1.012 1470 L HN 0.192 nan 8.230 nan 0.000 0.468 1471 E N -0.961 119.261 120.200 0.037 0.000 2.372 1471 E HA -0.031 4.319 4.350 -0.000 0.000 0.201 1471 E C 0.864 177.489 176.600 0.042 0.000 0.938 1471 E CA 0.247 56.672 56.400 0.041 0.000 0.944 1471 E CB 0.413 30.129 29.700 0.026 0.000 0.937 1471 E HN 0.451 nan 8.360 nan 0.000 0.495 1472 N N -0.160 118.559 118.700 0.031 0.000 2.684 1472 N HA 0.099 4.839 4.740 -0.000 0.000 0.220 1472 N C 1.544 177.070 175.510 0.026 0.000 1.037 1472 N CA 1.146 54.211 53.050 0.025 0.000 0.975 1472 N CB -0.824 37.671 38.487 0.012 0.000 1.426 1472 N HN 0.148 nan 8.380 nan 0.000 0.450 1473 G N 1.161 109.974 108.800 0.022 0.000 2.628 1473 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 1473 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 1473 G C 1.556 176.475 174.900 0.032 0.000 1.240 1473 G CA 2.107 47.219 45.100 0.020 0.000 0.792 1473 G HN 0.447 nan 8.290 nan 0.000 0.593 1474 A N 1.985 124.849 122.820 0.073 0.000 1.870 1474 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 1474 A C 0.903 178.524 177.584 0.062 0.000 1.224 1474 A CA 2.762 54.880 52.037 0.134 0.000 0.650 1474 A CB -1.613 17.548 19.000 0.269 0.000 0.836 1474 A HN 0.419 nan 8.150 nan 0.000 0.454 1475 P HA -0.121 nan 4.420 nan 0.000 0.216 1475 P C 1.557 178.796 177.300 -0.102 0.000 1.150 1475 P CA 1.622 64.722 63.100 -0.000 0.000 0.843 1475 P CB -0.168 31.585 31.700 0.089 0.000 0.787 1476 V N -0.715 119.169 119.914 -0.049 0.000 2.323 1476 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 1476 V C 2.320 178.367 176.094 -0.079 0.000 1.041 1476 V CA 1.589 63.855 62.300 -0.055 0.000 1.025 1476 V CB -1.140 30.668 31.823 -0.026 0.000 0.656 1476 V HN 0.024 nan 8.190 nan 0.000 0.451 1477 I N 1.003 121.529 120.570 -0.073 0.000 2.226 1477 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 1477 I C 2.693 178.727 176.117 -0.139 0.000 1.100 1477 I CA 1.581 62.835 61.300 -0.076 0.000 1.374 1477 I CB -0.718 37.258 38.000 -0.041 0.000 1.057 1477 I HN 0.245 nan 8.210 nan 0.000 0.413 1478 A N -0.208 122.458 122.820 -0.257 0.000 1.940 1478 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 1478 A C 2.477 179.884 177.584 -0.295 0.000 1.176 1478 A CA 2.418 54.197 52.037 -0.430 0.000 0.631 1478 A CB -0.661 17.702 19.000 -1.060 0.000 0.814 1478 A HN 0.404 nan 8.150 nan 0.000 0.446 1479 S N -1.474 114.096 115.700 -0.218 0.000 2.478 1479 S HA 0.029 4.499 4.470 -0.000 0.000 0.222 1479 S C 1.757 176.296 174.600 -0.102 0.000 1.008 1479 S CA 0.791 58.904 58.200 -0.147 0.000 0.928 1479 S CB -0.009 63.123 63.200 -0.113 0.000 0.781 1479 S HN 0.657 nan 8.310 nan 0.000 0.518 1480 K N 1.086 121.431 120.400 -0.091 0.000 2.504 1480 K HA 0.146 4.466 4.320 -0.000 0.000 0.195 1480 K C 0.836 177.400 176.600 -0.061 0.000 1.036 1480 K CA 0.650 56.899 56.287 -0.063 0.000 0.984 1480 K CB 0.048 32.518 32.500 -0.049 0.000 0.788 1480 K HN 0.324 nan 8.250 nan 0.000 0.488 1481 L N 0.121 121.295 121.223 -0.081 0.000 2.966 1481 L HA 0.191 4.531 4.340 -0.000 0.000 0.262 1481 L C -0.684 176.134 176.870 -0.086 0.000 1.165 1481 L CA -0.176 54.621 54.840 -0.072 0.000 0.978 1481 L CB 0.290 42.306 42.059 -0.071 0.000 1.337 1481 L HN 0.123 nan 8.230 nan 0.000 0.563 1482 E N 1.547 121.684 120.200 -0.104 0.000 2.273 1482 E HA -0.196 4.154 4.350 -0.000 0.000 0.177 1482 E C -0.308 176.215 176.600 -0.129 0.000 1.511 1482 E CA 0.411 56.747 56.400 -0.107 0.000 0.675 1482 E CB -0.988 28.665 29.700 -0.078 0.000 1.094 1482 E HN 0.433 nan 8.360 nan 0.000 0.348 1483 M N 1.034 120.529 119.600 -0.174 0.000 2.528 1483 M HA 0.285 4.765 4.480 -0.000 0.000 0.318 1483 M C 0.813 176.959 176.300 -0.257 0.000 1.195 1483 M CA -0.843 54.338 55.300 -0.198 0.000 1.000 1483 M CB 1.156 33.642 32.600 -0.191 0.000 1.615 1483 M HN 0.003 nan 8.290 nan 0.000 0.469 1484 E N 1.838 121.784 120.200 -0.424 0.000 2.391 1484 E HA 0.408 4.758 4.350 -0.000 0.000 0.255 1484 E C -0.705 175.671 176.600 -0.372 0.000 1.187 1484 E CA 0.104 56.174 56.400 -0.550 0.000 0.941 1484 E CB 1.032 30.041 29.700 -1.152 0.000 1.010 1484 E HN 0.529 nan 8.360 nan 0.000 0.458 1485 I N 1.990 122.460 120.570 -0.167 0.000 2.595 1485 I HA 0.185 4.355 4.170 -0.000 0.000 0.276 1485 I C -0.038 176.151 176.117 0.120 0.000 1.109 1485 I CA -0.236 61.120 61.300 0.094 0.000 1.084 1485 I CB 0.637 38.734 38.000 0.161 0.000 1.206 1485 I HN 0.185 nan 8.210 nan 0.000 0.486 1486 M N 5.244 124.966 119.600 0.203 0.000 2.228 1486 M HA 0.260 4.740 4.480 -0.000 0.000 0.326 1486 M C -1.221 175.128 176.300 0.082 0.000 1.122 1486 M CA -1.179 54.228 55.300 0.178 0.000 1.161 1486 M CB 0.613 33.351 32.600 0.231 0.000 1.437 1486 M HN 0.145 nan 8.290 nan 0.000 0.465 1487 P HA -0.155 nan 4.420 nan 0.000 0.217 1487 P C -0.544 176.755 177.300 -0.002 0.000 1.151 1487 P CA 1.599 64.714 63.100 0.025 0.000 0.849 1487 P CB 0.176 31.890 31.700 0.023 0.000 0.787 1488 K N -2.961 117.434 120.400 -0.008 0.000 2.774 1488 K HA 0.562 4.882 4.320 -0.000 0.000 0.283 1488 K C -2.173 174.408 176.600 -0.031 0.000 1.050 1488 K CA -0.754 55.514 56.287 -0.032 0.000 0.872 1488 K CB 0.783 33.267 32.500 -0.027 0.000 1.434 1488 K HN -0.146 nan 8.250 nan 0.000 0.372 1489 A N 2.710 125.502 122.820 -0.046 0.000 2.343 1489 A HA 0.425 4.745 4.320 -0.000 0.000 0.308 1489 A C -1.028 176.530 177.584 -0.042 0.000 1.092 1489 A CA -0.770 51.244 52.037 -0.038 0.000 0.751 1489 A CB 1.027 20.005 19.000 -0.037 0.000 1.203 1489 A HN 0.815 nan 8.150 nan 0.000 0.452 1490 N N 1.456 120.133 118.700 -0.039 0.000 2.503 1490 N HA 0.347 5.087 4.740 -0.000 0.000 0.267 1490 N C -0.790 174.685 175.510 -0.059 0.000 1.214 1490 N CA 0.123 53.145 53.050 -0.046 0.000 0.959 1490 N CB 0.265 38.729 38.487 -0.039 0.000 1.142 1490 N HN 0.647 nan 8.380 nan 0.000 0.455 1491 Q N 0.916 120.671 119.800 -0.075 0.000 2.258 1491 Q HA -0.088 4.252 4.340 -0.000 0.000 0.235 1491 Q C -0.913 174.992 176.000 -0.158 0.000 0.936 1491 Q CA 0.206 55.946 55.803 -0.106 0.000 0.418 1491 Q CB -0.265 28.410 28.738 -0.104 0.000 0.473 1491 Q HN 0.758 nan 8.270 nan 0.000 0.326 1492 K N 1.775 122.043 120.400 -0.220 0.000 2.361 1492 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 1492 K C 0.751 176.963 176.600 -0.646 0.000 1.039 1492 K CA 0.832 56.894 56.287 -0.374 0.000 1.001 1492 K CB 0.295 32.551 32.500 -0.407 0.000 0.795 1492 K HN 0.414 nan 8.250 nan 0.000 0.495 1493 H N 0.014 118.853 119.070 -0.385 0.000 2.624 1493 H HA 0.323 4.879 4.556 -0.000 0.000 0.233 1493 H C -0.850 173.487 175.328 -1.653 0.000 1.376 1493 H CA -0.142 55.316 56.048 -0.983 0.000 1.137 1493 H CB 0.390 29.683 29.762 -0.782 0.000 1.867 1493 H HN 0.111 nan 8.280 nan 0.000 0.547 1494 Q N 0.564 119.755 119.800 -1.014 0.000 2.462 1494 Q HA 0.561 4.901 4.340 -0.000 0.000 0.285 1494 Q C -1.716 174.262 176.000 -0.036 0.000 1.035 1494 Q CA -0.818 54.667 55.803 -0.529 0.000 0.799 1494 Q CB 3.289 31.869 28.738 -0.263 0.000 1.452 1494 Q HN 0.111 nan 8.270 nan 0.000 0.404 1495 V N 1.681 121.675 119.914 0.133 0.000 2.655 1495 V HA 0.482 4.602 4.120 -0.000 0.000 0.301 1495 V C -1.159 175.008 176.094 0.122 0.000 1.082 1495 V CA -0.451 61.969 62.300 0.201 0.000 0.899 1495 V CB 2.092 34.111 31.823 0.327 0.000 1.014 1495 V HN 0.766 nan 8.190 nan 0.000 0.429 1496 S N 3.324 119.075 115.700 0.085 0.000 2.568 1496 S HA 0.857 5.327 4.470 -0.000 0.000 0.302 1496 S C -0.782 173.869 174.600 0.085 0.000 1.082 1496 S CA -0.706 57.537 58.200 0.072 0.000 1.009 1496 S CB 2.266 65.493 63.200 0.044 0.000 1.069 1496 S HN 0.466 nan 8.310 nan 0.000 0.500 1497 V N 2.896 122.862 119.914 0.086 0.000 2.569 1497 V HA 0.505 4.625 4.120 -0.000 0.000 0.301 1497 V C -0.999 175.150 176.094 0.092 0.000 1.044 1497 V CA -0.452 61.907 62.300 0.097 0.000 0.874 1497 V CB 1.369 33.256 31.823 0.106 0.000 1.002 1497 V HN 0.782 nan 8.190 nan 0.000 0.424 1498 I N 5.853 126.477 120.570 0.090 0.000 2.433 1498 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 1498 I C -0.991 175.182 176.117 0.093 0.000 1.001 1498 I CA -0.559 60.791 61.300 0.082 0.000 1.119 1498 I CB 1.928 39.961 38.000 0.055 0.000 1.289 1498 I HN 0.377 nan 8.210 nan 0.000 0.438 1499 L N 6.212 127.506 121.223 0.118 0.000 2.362 1499 L HA 0.849 5.189 4.340 -0.000 0.000 0.275 1499 L C -0.320 176.573 176.870 0.037 0.000 0.998 1499 L CA -0.426 54.489 54.840 0.126 0.000 0.820 1499 L CB 1.944 44.182 42.059 0.299 0.000 1.270 1499 L HN 0.666 nan 8.230 nan 0.000 0.415 1500 A N 2.352 125.098 122.820 -0.122 0.000 2.359 1500 A HA 0.863 5.183 4.320 -0.000 0.000 0.303 1500 A C -0.439 176.865 177.584 -0.466 0.000 1.066 1500 A CA -0.553 51.351 52.037 -0.221 0.000 0.730 1500 A CB 1.569 20.507 19.000 -0.104 0.000 1.211 1500 A HN 0.737 nan 8.150 nan 0.000 0.439 1501 A N 3.295 125.716 122.820 -0.665 0.000 2.376 1501 A HA 0.487 4.807 4.320 -0.000 0.000 0.298 1501 A C 1.024 178.393 177.584 -0.358 0.000 1.271 1501 A CA -0.409 51.234 52.037 -0.656 0.000 0.926 1501 A CB -0.246 18.301 19.000 -0.754 0.000 1.141 1501 A HN 0.832 nan 8.150 nan 0.000 0.539 1502 M N 1.558 120.934 119.600 -0.374 0.000 2.159 1502 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 1502 M C 1.328 177.486 176.300 -0.236 0.000 1.063 1502 M CA 1.894 56.913 55.300 -0.468 0.000 1.110 1502 M CB -1.421 30.961 32.600 -0.363 0.000 1.374 1502 M HN 0.863 nan 8.290 nan 0.000 0.411 1503 T N -4.265 110.203 114.554 -0.144 0.000 2.838 1503 T HA 0.437 4.787 4.350 -0.000 0.000 0.292 1503 T C -2.470 172.210 174.700 -0.033 0.000 1.113 1503 T CA -1.560 60.511 62.100 -0.050 0.000 1.008 1503 T CB 2.034 70.880 68.868 -0.037 0.000 1.259 1503 T HN -0.212 nan 8.240 nan 0.000 0.520 1504 P HA 0.054 nan 4.420 nan 0.000 0.220 1504 P C 0.962 178.314 177.300 0.088 0.000 1.144 1504 P CA 0.925 64.071 63.100 0.077 0.000 0.800 1504 P CB 0.108 31.858 31.700 0.084 0.000 0.772 1505 R N -2.348 118.165 120.500 0.022 0.000 2.487 1505 R HA 0.216 4.556 4.340 -0.000 0.000 0.272 1505 R C 0.417 176.688 176.300 -0.049 0.000 0.928 1505 R CA -0.154 55.944 56.100 -0.002 0.000 1.077 1505 R CB 0.769 31.056 30.300 -0.021 0.000 1.265 1505 R HN 0.102 nan 8.270 nan 0.000 0.537 1506 R N 1.818 122.274 120.500 -0.074 0.000 2.338 1506 R HA 0.379 4.719 4.340 -0.000 0.000 0.317 1506 R C -0.430 175.777 176.300 -0.155 0.000 0.968 1506 R CA -0.369 55.671 56.100 -0.099 0.000 0.849 1506 R CB 1.846 32.090 30.300 -0.093 0.000 1.128 1506 R HN 0.019 nan 8.270 nan 0.000 0.448 1507 M N 1.310 120.831 119.600 -0.131 0.000 2.464 1507 M HA 0.505 4.985 4.480 -0.000 0.000 0.308 1507 M C -1.507 174.734 176.300 -0.098 0.000 1.127 1507 M CA -0.854 54.342 55.300 -0.173 0.000 0.913 1507 M CB 2.298 34.810 32.600 -0.147 0.000 1.689 1507 M HN 0.194 nan 8.290 nan 0.000 0.445 1508 N N 3.423 122.060 118.700 -0.106 0.000 2.405 1508 N HA 0.664 5.404 4.740 -0.000 0.000 0.299 1508 N C -1.502 174.016 175.510 0.012 0.000 1.075 1508 N CA -0.467 52.567 53.050 -0.027 0.000 0.884 1508 N CB 2.574 41.040 38.487 -0.035 0.000 1.194 1508 N HN 0.907 nan 8.380 nan 0.000 0.491 1509 I N 1.614 122.230 120.570 0.075 0.000 2.582 1509 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 1509 I C -1.326 174.885 176.117 0.157 0.000 1.066 1509 I CA -0.838 60.524 61.300 0.103 0.000 1.053 1509 I CB 1.361 39.425 38.000 0.108 0.000 1.241 1509 I HN 0.383 nan 8.210 nan 0.000 0.421 1510 I N 7.621 128.271 120.570 0.134 0.000 2.436 1510 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 1510 I C -0.904 175.297 176.117 0.141 0.000 1.010 1510 I CA -0.857 60.534 61.300 0.152 0.000 1.098 1510 I CB 1.957 40.001 38.000 0.072 0.000 1.266 1510 I HN 0.201 nan 8.210 nan 0.000 0.434 1511 V N 6.608 126.625 119.914 0.172 0.000 2.325 1511 V HA 0.252 4.372 4.120 -0.000 0.000 0.280 1511 V C -0.033 176.112 176.094 0.086 0.000 1.016 1511 V CA -0.830 61.559 62.300 0.149 0.000 0.818 1511 V CB 1.166 33.120 31.823 0.217 0.000 1.019 1511 V HN 0.623 nan 8.190 nan 0.000 0.434 1512 K N 5.953 126.386 120.400 0.055 0.000 2.273 1512 K HA 0.545 4.865 4.320 -0.000 0.000 0.287 1512 K C -0.657 175.950 176.600 0.013 0.000 1.089 1512 K CA -0.195 56.098 56.287 0.010 0.000 0.909 1512 K CB 0.961 33.467 32.500 0.010 0.000 1.123 1512 K HN 0.508 nan 8.250 nan 0.000 0.473 1513 L N 3.849 125.049 121.223 -0.038 0.000 2.365 1513 L HA 0.287 4.627 4.340 -0.000 0.000 0.267 1513 L C -1.571 175.290 176.870 -0.014 0.000 1.033 1513 L CA -2.473 52.367 54.840 0.000 0.000 0.802 1513 L CB 0.880 42.909 42.059 -0.050 0.000 1.267 1513 L HN 0.243 nan 8.230 nan 0.000 0.457 1514 P HA -0.153 nan 4.420 nan 0.000 0.214 1514 P C 0.773 178.049 177.300 -0.040 0.000 1.163 1514 P CA 1.628 64.720 63.100 -0.013 0.000 0.889 1514 P CB 0.218 31.931 31.700 0.022 0.000 0.790 1515 K N -1.433 118.944 120.400 -0.038 0.000 2.404 1515 K HA 0.284 4.603 4.320 -0.000 0.000 0.194 1515 K C -0.102 176.452 176.600 -0.076 0.000 1.023 1515 K CA -0.001 56.259 56.287 -0.046 0.000 1.094 1515 K CB 0.668 33.153 32.500 -0.024 0.000 0.841 1515 K HN -0.003 nan 8.250 nan 0.000 0.523 1516 V N -0.138 119.699 119.914 -0.129 0.000 3.088 1516 V HA 0.081 4.201 4.120 -0.000 0.000 0.272 1516 V C -1.842 174.074 176.094 -0.297 0.000 1.611 1516 V CA -0.713 61.468 62.300 -0.200 0.000 0.990 1516 V CB 2.191 33.854 31.823 -0.266 0.000 1.234 1516 V HN -0.032 nan 8.190 nan 0.000 0.453 1517 T N 6.165 120.601 114.554 -0.197 0.000 2.795 1517 T HA 0.717 5.067 4.350 -0.000 0.000 0.282 1517 T C -1.336 173.327 174.700 -0.062 0.000 0.980 1517 T CA 0.046 62.083 62.100 -0.105 0.000 1.012 1517 T CB 0.750 69.648 68.868 0.051 0.000 0.936 1517 T HN 0.494 nan 8.240 nan 0.000 0.457 1518 Y N 3.124 123.505 120.300 0.135 0.000 2.446 1518 Y HA 0.716 5.266 4.550 -0.000 0.000 0.338 1518 Y C -0.129 175.896 175.900 0.208 0.000 1.055 1518 Y CA -2.016 56.143 58.100 0.099 0.000 1.101 1518 Y CB 1.153 39.639 38.460 0.042 0.000 1.221 1518 Y HN 0.687 nan 8.280 nan 0.000 0.460 1519 F N 0.077 120.137 119.950 0.183 0.000 2.693 1519 F HA 0.743 5.270 4.527 -0.000 0.000 0.309 1519 F C -1.719 174.115 175.800 0.056 0.000 1.129 1519 F CA -0.999 57.058 58.000 0.095 0.000 0.948 1519 F CB 2.083 41.120 39.000 0.062 0.000 1.315 1519 F HN 0.317 nan 8.300 nan 0.000 0.447 1520 Q N 1.857 121.830 119.800 0.289 0.000 2.327 1520 Q HA 0.424 4.764 4.340 -0.000 0.000 0.265 1520 Q C -2.015 174.088 176.000 0.172 0.000 0.993 1520 Q CA -0.331 55.547 55.803 0.124 0.000 0.885 1520 Q CB 2.489 31.241 28.738 0.023 0.000 1.379 1520 Q HN 0.840 nan 8.270 nan 0.000 0.408 1521 Q N 1.140 121.029 119.800 0.148 0.000 2.257 1521 Q HA 0.712 5.052 4.340 -0.000 0.000 0.262 1521 Q C 0.107 176.120 176.000 0.022 0.000 0.997 1521 Q CA -0.433 55.419 55.803 0.082 0.000 0.873 1521 Q CB 1.772 30.569 28.738 0.099 0.000 1.312 1521 Q HN 1.007 nan 8.270 nan 0.000 0.450 1522 G N 1.610 110.400 108.800 -0.016 0.000 2.225 1522 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 1522 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 1522 G C -0.174 174.706 174.900 -0.034 0.000 1.060 1522 G CA -0.228 44.853 45.100 -0.033 0.000 0.833 1522 G HN 0.520 nan 8.290 nan 0.000 0.498 1523 I N 0.497 121.046 120.570 -0.035 0.000 2.396 1523 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 1523 I C 1.009 177.092 176.117 -0.058 0.000 1.056 1523 I CA -0.436 60.841 61.300 -0.037 0.000 1.365 1523 I CB 0.795 38.781 38.000 -0.023 0.000 1.407 1523 I HN 0.024 nan 8.210 nan 0.000 0.509 1524 L N 7.586 128.771 121.223 -0.063 0.000 2.305 1524 L HA 0.415 4.754 4.340 -0.000 0.000 0.281 1524 L C -0.060 176.734 176.870 -0.126 0.000 1.085 1524 L CA -0.301 54.491 54.840 -0.080 0.000 0.813 1524 L CB 0.863 42.884 42.059 -0.064 0.000 1.157 1524 L HN 0.456 nan 8.230 nan 0.000 0.436 1525 L N 4.419 125.534 121.223 -0.180 0.000 2.365 1525 L HA 0.441 4.781 4.340 -0.000 0.000 0.267 1525 L C -1.629 175.021 176.870 -0.367 0.000 1.033 1525 L CA -1.528 53.096 54.840 -0.359 0.000 0.802 1525 L CB 0.814 42.548 42.059 -0.542 0.000 1.267 1525 L HN 0.396 nan 8.230 nan 0.000 0.457 1526 P HA 0.104 nan 4.420 nan 0.000 0.255 1526 P C -0.945 176.293 177.300 -0.102 0.000 1.248 1526 P CA 0.498 63.453 63.100 -0.242 0.000 0.807 1526 P CB 0.225 31.858 31.700 -0.112 0.000 1.150 1527 F N -3.294 116.680 119.950 0.041 0.000 2.692 1527 F HA 0.633 5.160 4.527 -0.000 0.000 0.320 1527 F C -0.133 175.707 175.800 0.067 0.000 1.123 1527 F CA -1.531 56.494 58.000 0.042 0.000 0.961 1527 F CB -0.047 38.970 39.000 0.029 0.000 1.383 1527 F HN -0.456 nan 8.300 nan 0.000 0.483 1528 T N -0.576 114.190 114.554 0.353 0.000 2.910 1528 T HA 0.435 4.785 4.350 -0.000 0.000 0.293 1528 T C -0.547 174.386 174.700 0.390 0.000 1.015 1528 T CA -0.314 61.951 62.100 0.276 0.000 1.094 1528 T CB 1.220 70.198 68.868 0.183 0.000 0.968 1528 T HN 0.554 nan 8.240 nan 0.000 0.521 1529 F N 0.000 120.052 119.950 0.170 0.000 2.286 1529 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1529 F CA 0.000 58.096 58.000 0.160 0.000 1.383 1529 F CB 0.000 39.062 39.000 0.104 0.000 1.145 1529 F HN 0.000 nan 8.300 nan 0.000 0.574