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 1mv5_1_B DATA FIRST_RESID 1342 DATA SEQUENCE MLSARHVDFA YDDSEQILRD ISFEAQPNSI IAFAGPSGGG KSTIFSLLER DATA SEQUENCE FYQPTAGEIT IDGQPIDNIS LENWRSQIGF VSQDSAIMAG TIRENLTYGL DATA SEQUENCE EGDYTDEDLW QVLDLAFARS FVENMPDQLN TEVGERGVKI SGGQRQRLAI DATA SEQUENCE ARAFLRNPKI LMLDEATASL DSESESMVQK ALDSLMKGRT TLVIAHRLST DATA SEQUENCE IVDADKIYFI EKGQITGSGK HNELVATHPL YAKYVSEQLT VG 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 1342 M HA 0.000 nan 4.480 nan 0.000 0.227 1342 M C 0.000 176.362 176.300 0.103 0.000 1.140 1342 M CA 0.000 55.351 55.300 0.086 0.000 0.988 1342 M CB 0.000 32.646 32.600 0.076 0.000 1.302 1343 L N 1.708 123.009 121.223 0.130 0.000 2.342 1343 L HA 0.583 4.923 4.340 -0.000 0.000 0.276 1343 L C -1.033 175.901 176.870 0.106 0.000 0.997 1343 L CA -0.014 54.916 54.840 0.149 0.000 0.838 1343 L CB 1.480 43.683 42.059 0.240 0.000 1.224 1343 L HN 0.694 nan 8.230 nan 0.000 0.416 1344 S N 4.068 119.775 115.700 0.012 0.000 2.498 1344 S HA 0.595 5.065 4.470 -0.000 0.000 0.324 1344 S C 0.146 174.606 174.600 -0.232 0.000 1.071 1344 S CA -0.620 57.541 58.200 -0.066 0.000 1.113 1344 S CB 1.632 64.814 63.200 -0.029 0.000 0.976 1344 S HN 0.706 nan 8.310 nan 0.000 0.462 1345 A N 4.326 126.817 122.820 -0.549 0.000 2.539 1345 A HA 0.300 4.620 4.320 -0.000 0.000 0.306 1345 A C 0.411 177.737 177.584 -0.429 0.000 1.392 1345 A CA -0.499 51.078 52.037 -0.767 0.000 1.060 1345 A CB -0.189 17.718 19.000 -1.821 0.000 1.134 1345 A HN 0.761 nan 8.150 nan 0.000 0.542 1346 R N 2.843 123.212 120.500 -0.219 0.000 2.235 1346 R HA 0.226 4.566 4.340 -0.000 0.000 0.338 1346 R C -0.698 175.619 176.300 0.028 0.000 1.087 1346 R CA -0.482 55.589 56.100 -0.048 0.000 0.948 1346 R CB 0.025 30.328 30.300 0.005 0.000 1.099 1346 R HN 0.860 nan 8.270 nan 0.000 0.483 1347 H N 0.532 119.541 119.070 -0.100 0.000 2.748 1347 H HA -0.158 4.398 4.556 -0.000 0.000 0.288 1347 H C -0.882 174.413 175.328 -0.055 0.000 0.819 1347 H CA 0.315 56.329 56.048 -0.058 0.000 0.921 1347 H CB -0.494 29.247 29.762 -0.034 0.000 1.550 1347 H HN 0.242 nan 8.280 nan 0.000 0.301 1348 V N 4.990 124.886 119.914 -0.030 0.000 2.349 1348 V HA 0.123 4.243 4.120 -0.000 0.000 0.284 1348 V C 0.052 176.180 176.094 0.056 0.000 1.014 1348 V CA -0.529 61.772 62.300 0.003 0.000 0.826 1348 V CB 1.957 33.747 31.823 -0.056 0.000 1.009 1348 V HN 0.529 nan 8.190 nan 0.000 0.431 1349 D N 4.061 124.514 120.400 0.089 0.000 2.177 1349 D HA 0.690 5.330 4.640 -0.000 0.000 0.247 1349 D C -0.844 175.575 176.300 0.199 0.000 1.063 1349 D CA 0.197 54.263 54.000 0.109 0.000 0.867 1349 D CB 1.821 42.665 40.800 0.074 0.000 1.168 1349 D HN 0.334 nan 8.370 nan 0.000 0.445 1350 F N 1.180 121.126 119.950 -0.007 0.000 2.654 1350 F HA 0.707 5.234 4.527 0.000 0.000 0.308 1350 F C -1.661 174.140 175.800 0.001 0.000 1.108 1350 F CA -0.772 57.216 58.000 -0.021 0.000 0.957 1350 F CB 1.447 40.423 39.000 -0.039 0.000 1.309 1350 F HN 0.415 nan 8.300 nan 0.000 0.446 1351 A N 3.462 125.470 122.820 -1.354 0.000 2.594 1351 A HA 0.567 4.887 4.320 -0.000 0.000 0.296 1351 A C -1.698 175.267 177.584 -1.031 0.000 1.061 1351 A CA -0.499 51.008 52.037 -0.884 0.000 0.689 1351 A CB 0.495 19.277 19.000 -0.364 0.000 1.280 1351 A HN 0.743 nan 8.150 nan 0.000 0.406 1352 Y N 0.723 120.610 120.300 -0.688 0.000 2.205 1352 Y HA 0.143 4.693 4.550 0.000 0.000 0.292 1352 Y C 0.783 176.551 175.900 -0.220 0.000 1.119 1352 Y CA 1.057 58.928 58.100 -0.382 0.000 1.117 1352 Y CB 0.124 38.448 38.460 -0.227 0.000 1.037 1352 Y HN 0.618 nan 8.280 nan 0.000 0.510 1353 D N -0.643 119.755 120.400 -0.004 0.000 2.440 1353 D HA 0.128 4.768 4.640 -0.000 0.000 0.258 1353 D C 0.243 176.505 176.300 -0.063 0.000 1.092 1353 D CA -0.260 53.722 54.000 -0.029 0.000 1.016 1353 D CB 1.019 41.803 40.800 -0.027 0.000 1.141 1353 D HN -0.001 nan 8.370 nan 0.000 0.552 1354 D N -0.830 119.541 120.400 -0.047 0.000 2.183 1354 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 1354 D C 1.899 178.172 176.300 -0.046 0.000 0.969 1354 D CA 1.206 55.177 54.000 -0.047 0.000 0.842 1354 D CB 0.058 40.839 40.800 -0.032 0.000 0.957 1354 D HN 0.265 nan 8.370 nan 0.000 0.484 1355 S N 0.156 115.831 115.700 -0.042 0.000 2.329 1355 S HA -0.092 4.378 4.470 -0.000 0.000 0.215 1355 S C 0.997 175.570 174.600 -0.045 0.000 1.031 1355 S CA 0.434 58.611 58.200 -0.039 0.000 0.985 1355 S CB -0.470 62.708 63.200 -0.036 0.000 0.917 1355 S HN 0.097 nan 8.310 nan 0.000 0.441 1356 E N 2.032 122.198 120.200 -0.057 0.000 2.180 1356 E HA 0.175 4.525 4.350 -0.000 0.000 0.283 1356 E C -0.600 175.958 176.600 -0.070 0.000 1.061 1356 E CA -0.142 56.222 56.400 -0.061 0.000 0.861 1356 E CB 0.649 30.302 29.700 -0.078 0.000 1.056 1356 E HN 0.442 nan 8.360 nan 0.000 0.407 1357 Q N 5.106 124.873 119.800 -0.055 0.000 2.503 1357 Q HA 0.142 4.482 4.340 -0.000 0.000 0.227 1357 Q C 0.610 176.590 176.000 -0.033 0.000 1.109 1357 Q CA -0.216 55.551 55.803 -0.060 0.000 0.922 1357 Q CB 0.376 29.091 28.738 -0.038 0.000 1.249 1357 Q HN 0.711 nan 8.270 nan 0.000 0.530 1358 I N 2.783 123.334 120.570 -0.032 0.000 2.163 1358 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 1358 I C 0.438 176.610 176.117 0.091 0.000 1.085 1358 I CA 1.196 62.523 61.300 0.044 0.000 1.347 1358 I CB 0.014 38.086 38.000 0.120 0.000 1.044 1358 I HN 0.504 nan 8.210 nan 0.000 0.408 1359 L N 0.623 121.927 121.223 0.135 0.000 2.362 1359 L HA 0.425 4.765 4.340 -0.000 0.000 0.275 1359 L C 0.249 177.175 176.870 0.093 0.000 0.998 1359 L CA -0.665 54.255 54.840 0.132 0.000 0.820 1359 L CB 1.851 44.030 42.059 0.199 0.000 1.270 1359 L HN 0.015 nan 8.230 nan 0.000 0.415 1360 R N 0.628 121.164 120.500 0.061 0.000 2.465 1360 R HA 0.181 4.521 4.340 -0.000 0.000 0.198 1360 R C -0.544 175.782 176.300 0.043 0.000 1.188 1360 R CA -0.801 55.327 56.100 0.047 0.000 1.080 1360 R CB 0.234 30.555 30.300 0.035 0.000 1.862 1360 R HN 0.656 nan 8.270 nan 0.000 0.517 1361 D N 1.207 121.626 120.400 0.032 0.000 2.348 1361 D HA 0.096 4.736 4.640 -0.000 0.000 0.259 1361 D C -0.438 175.826 176.300 -0.060 0.000 1.296 1361 D CA 0.204 54.202 54.000 -0.004 0.000 0.931 1361 D CB -0.223 40.596 40.800 0.032 0.000 1.067 1361 D HN 0.206 nan 8.370 nan 0.000 0.503 1362 I N 2.817 123.344 120.570 -0.072 0.000 2.437 1362 I HA 0.306 4.476 4.170 -0.000 0.000 0.298 1362 I C -0.203 175.790 176.117 -0.208 0.000 0.984 1362 I CA -0.734 60.530 61.300 -0.061 0.000 1.214 1362 I CB 1.637 39.650 38.000 0.021 0.000 1.365 1362 I HN 0.512 nan 8.210 nan 0.000 0.469 1363 S N 5.780 121.375 115.700 -0.176 0.000 2.387 1363 S HA 0.460 4.930 4.470 -0.000 0.000 0.211 1363 S C -0.775 173.754 174.600 -0.118 0.000 1.055 1363 S CA -0.849 57.195 58.200 -0.261 0.000 1.133 1363 S CB 0.083 63.071 63.200 -0.354 0.000 1.235 1363 S HN 0.483 nan 8.310 nan 0.000 0.425 1364 F N -0.386 119.452 119.950 -0.188 0.000 2.598 1364 F HA 1.007 5.534 4.527 -0.000 0.000 0.327 1364 F C -0.506 175.262 175.800 -0.053 0.000 1.057 1364 F CA -1.207 56.606 58.000 -0.311 0.000 0.957 1364 F CB 0.995 39.496 39.000 -0.832 0.000 1.278 1364 F HN 0.253 nan 8.300 nan 0.000 0.484 1365 E N 0.901 121.314 120.200 0.355 0.000 2.278 1365 E HA 0.679 5.029 4.350 -0.000 0.000 0.272 1365 E C -1.398 175.394 176.600 0.319 0.000 0.890 1365 E CA -0.769 55.793 56.400 0.269 0.000 0.770 1365 E CB 2.069 31.871 29.700 0.170 0.000 1.212 1365 E HN 0.961 nan 8.360 nan 0.000 0.415 1366 A N 3.023 126.012 122.820 0.283 0.000 2.342 1366 A HA 0.685 5.005 4.320 -0.000 0.000 0.323 1366 A C -0.692 176.981 177.584 0.147 0.000 1.125 1366 A CA -0.670 51.498 52.037 0.218 0.000 0.785 1366 A CB 0.892 20.033 19.000 0.234 0.000 1.221 1366 A HN 0.553 nan 8.150 nan 0.000 0.463 1367 Q N 1.312 121.178 119.800 0.110 0.000 2.418 1367 Q HA 0.484 4.824 4.340 -0.000 0.000 0.276 1367 Q C -2.624 173.413 176.000 0.061 0.000 1.081 1367 Q CA -2.166 53.685 55.803 0.080 0.000 0.864 1367 Q CB 1.099 29.877 28.738 0.067 0.000 1.384 1367 Q HN 0.435 nan 8.270 nan 0.000 0.467 1368 P HA -0.009 nan 4.420 nan 0.000 0.268 1368 P C -0.664 176.654 177.300 0.030 0.000 1.205 1368 P CA 0.309 63.431 63.100 0.036 0.000 0.771 1368 P CB 0.352 32.072 31.700 0.032 0.000 0.858 1369 N N -1.185 117.529 118.700 0.023 0.000 2.765 1369 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 1369 N C -0.406 175.116 175.510 0.020 0.000 1.063 1369 N CA 1.525 54.587 53.050 0.020 0.000 0.862 1369 N CB -1.750 36.750 38.487 0.021 0.000 1.145 1369 N HN 0.564 nan 8.380 nan 0.000 0.581 1370 S N 0.099 115.815 115.700 0.026 0.000 2.433 1370 S HA 0.696 5.166 4.470 -0.000 0.000 0.310 1370 S C 0.104 174.720 174.600 0.028 0.000 1.097 1370 S CA -0.886 57.330 58.200 0.026 0.000 1.103 1370 S CB 1.356 64.576 63.200 0.033 0.000 0.992 1370 S HN 0.217 nan 8.310 nan 0.000 0.469 1371 I N 5.078 125.659 120.570 0.018 0.000 2.297 1371 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 1371 I C 0.252 176.372 176.117 0.005 0.000 1.033 1371 I CA -0.791 60.520 61.300 0.020 0.000 1.253 1371 I CB 0.661 38.670 38.000 0.016 0.000 1.396 1371 I HN 0.728 nan 8.210 nan 0.000 0.476 1372 I N 3.817 124.391 120.570 0.007 0.000 2.498 1372 I HA 0.908 5.078 4.170 -0.000 0.000 0.301 1372 I C -0.193 175.866 176.117 -0.097 0.000 0.984 1372 I CA -0.291 60.974 61.300 -0.058 0.000 1.204 1372 I CB 1.786 39.763 38.000 -0.038 0.000 1.362 1372 I HN 0.566 nan 8.210 nan 0.000 0.471 1373 A N 5.200 127.911 122.820 -0.181 0.000 2.386 1373 A HA 0.854 5.174 4.320 -0.000 0.000 0.308 1373 A C -1.381 176.001 177.584 -0.338 0.000 1.128 1373 A CA -0.583 51.379 52.037 -0.126 0.000 0.789 1373 A CB 1.153 20.145 19.000 -0.014 0.000 1.325 1373 A HN 0.725 nan 8.150 nan 0.000 0.437 1374 F N 0.372 120.329 119.950 0.012 0.000 2.716 1374 F HA 0.574 5.101 4.527 -0.000 0.000 0.354 1374 F C 0.479 176.246 175.800 -0.056 0.000 1.168 1374 F CA -0.131 57.849 58.000 -0.034 0.000 1.045 1374 F CB 1.829 40.721 39.000 -0.181 0.000 1.311 1374 F HN 0.762 nan 8.300 nan 0.000 0.477 1375 A N 2.270 125.198 122.820 0.179 0.000 2.320 1375 A HA 1.007 5.327 4.320 -0.000 0.000 0.334 1375 A C 0.006 177.534 177.584 -0.093 0.000 1.147 1375 A CA -0.261 51.856 52.037 0.133 0.000 0.820 1375 A CB 1.433 20.657 19.000 0.373 0.000 1.218 1375 A HN 1.074 nan 8.150 nan 0.000 0.482 1376 G N 0.136 108.644 108.800 -0.485 0.000 2.340 1376 G HA2 0.461 4.421 3.960 -0.000 0.000 0.300 1376 G HA3 0.461 4.421 3.960 -0.000 0.000 0.300 1376 G C -3.607 170.893 174.900 -0.667 0.000 1.488 1376 G CA -0.772 43.821 45.100 -0.845 0.000 0.878 1376 G HN 0.546 nan 8.290 nan 0.000 0.618 1377 P HA 0.249 nan 4.420 nan 0.000 0.268 1377 P C 0.472 177.744 177.300 -0.045 0.000 1.205 1377 P CA -0.019 63.026 63.100 -0.093 0.000 0.771 1377 P CB 0.678 32.331 31.700 -0.078 0.000 0.858 1378 S N 1.804 117.534 115.700 0.050 0.000 2.507 1378 S HA 0.385 4.855 4.470 -0.000 0.000 0.299 1378 S C 1.221 175.819 174.600 -0.004 0.000 1.214 1378 S CA 0.310 58.532 58.200 0.036 0.000 1.137 1378 S CB -0.803 62.435 63.200 0.063 0.000 1.009 1378 S HN 0.887 nan 8.310 nan 0.000 0.512 1379 G N 2.663 111.447 108.800 -0.027 0.000 2.738 1379 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.195 1379 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.195 1379 G C 0.957 175.825 174.900 -0.054 0.000 1.001 1379 G CA 0.090 45.167 45.100 -0.039 0.000 0.759 1379 G HN 1.089 nan 8.290 nan 0.000 0.494 1380 G N 0.729 109.480 108.800 -0.082 0.000 2.547 1380 G HA2 0.278 4.238 3.960 -0.000 0.000 0.221 1380 G HA3 0.278 4.238 3.960 -0.000 0.000 0.221 1380 G C 1.784 176.640 174.900 -0.073 0.000 1.140 1380 G CA 2.635 47.665 45.100 -0.116 0.000 0.760 1380 G HN 2.145 nan 8.290 nan 0.000 0.583 1381 G N -1.193 107.576 108.800 -0.053 0.000 2.141 1381 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.164 1381 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.164 1381 G C 0.875 175.733 174.900 -0.070 0.000 1.009 1381 G CA 0.871 45.963 45.100 -0.015 0.000 0.677 1381 G HN 0.573 nan 8.290 nan 0.000 0.508 1382 K N 0.804 121.127 120.400 -0.128 0.000 1.985 1382 K HA 0.027 4.347 4.320 -0.000 0.000 0.210 1382 K C 2.707 179.134 176.600 -0.290 0.000 1.047 1382 K CA 1.920 58.047 56.287 -0.265 0.000 0.932 1382 K CB -0.337 32.020 32.500 -0.237 0.000 0.716 1382 K HN 0.274 nan 8.250 nan 0.000 0.439 1383 S N 0.187 115.803 115.700 -0.140 0.000 2.400 1383 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 1383 S C 1.879 176.531 174.600 0.088 0.000 1.025 1383 S CA 1.719 59.904 58.200 -0.025 0.000 0.993 1383 S CB -0.460 62.776 63.200 0.060 0.000 0.808 1383 S HN 0.376 nan 8.310 nan 0.000 0.478 1384 T N 2.378 116.980 114.554 0.080 0.000 2.867 1384 T HA 0.071 4.421 4.350 -0.000 0.000 0.268 1384 T C 1.676 176.403 174.700 0.046 0.000 1.057 1384 T CA 0.797 62.980 62.100 0.139 0.000 1.136 1384 T CB -0.287 68.705 68.868 0.208 0.000 0.874 1384 T HN 0.327 nan 8.240 nan 0.000 0.466 1385 I N 0.108 120.664 120.570 -0.024 0.000 2.163 1385 I HA -0.114 4.056 4.170 -0.000 0.000 0.240 1385 I C 2.076 178.277 176.117 0.140 0.000 1.081 1385 I CA 1.549 62.828 61.300 -0.034 0.000 1.353 1385 I CB -0.385 37.453 38.000 -0.269 0.000 1.054 1385 I HN 0.244 nan 8.210 nan 0.000 0.407 1386 F N 0.639 120.518 119.950 -0.119 0.000 2.202 1386 F HA -0.256 4.271 4.527 0.000 0.000 0.301 1386 F C 2.703 178.511 175.800 0.014 0.000 1.082 1386 F CA 0.760 58.731 58.000 -0.049 0.000 1.313 1386 F CB -0.134 38.850 39.000 -0.027 0.000 1.024 1386 F HN 0.077 nan 8.300 nan 0.000 0.495 1387 S N 0.271 116.141 115.700 0.282 0.000 2.428 1387 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 1387 S C 1.808 176.514 174.600 0.176 0.000 1.014 1387 S CA 0.668 59.073 58.200 0.342 0.000 0.957 1387 S CB -0.144 63.391 63.200 0.557 0.000 0.784 1387 S HN 0.312 nan 8.310 nan 0.000 0.499 1388 L N 0.371 121.630 121.223 0.060 0.000 2.307 1388 L HA 0.178 4.518 4.340 -0.000 0.000 0.211 1388 L C 1.927 178.803 176.870 0.009 0.000 1.099 1388 L CA 0.483 55.295 54.840 -0.047 0.000 0.816 1388 L CB -0.250 41.693 42.059 -0.193 0.000 0.952 1388 L HN 0.271 nan 8.230 nan 0.000 0.455 1389 L N -0.338 120.922 121.223 0.062 0.000 2.179 1389 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 1389 L C 2.096 179.021 176.870 0.091 0.000 1.096 1389 L CA 1.014 55.927 54.840 0.122 0.000 0.779 1389 L CB -0.084 42.011 42.059 0.060 0.000 0.922 1389 L HN 0.270 nan 8.230 nan 0.000 0.443 1390 E N 0.248 120.377 120.200 -0.118 0.000 2.494 1390 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 1390 E C 0.666 176.976 176.600 -0.484 0.000 1.074 1390 E CA -0.181 55.985 56.400 -0.390 0.000 0.867 1390 E CB 0.241 29.553 29.700 -0.646 0.000 0.924 1390 E HN 0.133 nan 8.360 nan 0.000 0.502 1391 R N -1.807 118.599 120.500 -0.156 0.000 4.000 1391 R HA -0.237 4.103 4.340 -0.000 0.000 0.362 1391 R C 0.180 176.426 176.300 -0.090 0.000 1.183 1391 R CA 0.949 56.999 56.100 -0.084 0.000 1.011 1391 R CB -2.440 27.889 30.300 0.047 0.000 1.501 1391 R HN 0.359 nan 8.270 nan 0.000 0.553 1392 F N -1.710 118.186 119.950 -0.090 0.000 2.234 1392 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 1392 F C 0.987 176.522 175.800 -0.441 0.000 1.087 1392 F CA 0.718 58.538 58.000 -0.299 0.000 1.340 1392 F CB -0.021 38.720 39.000 -0.432 0.000 1.031 1392 F HN 0.034 nan 8.300 nan 0.000 0.500 1393 Y N -1.049 119.295 120.300 0.073 0.000 2.693 1393 Y HA 0.411 4.961 4.550 0.000 0.000 0.331 1393 Y C -0.386 175.441 175.900 -0.121 0.000 1.092 1393 Y CA -1.626 56.443 58.100 -0.052 0.000 1.131 1393 Y CB 0.751 39.093 38.460 -0.197 0.000 1.318 1393 Y HN -0.266 nan 8.280 nan 0.000 0.510 1394 Q N 0.816 120.680 119.800 0.107 0.000 2.248 1394 Q HA 0.590 4.930 4.340 -0.000 0.000 0.263 1394 Q C -2.903 173.103 176.000 0.009 0.000 1.007 1394 Q CA -2.303 53.525 55.803 0.040 0.000 0.877 1394 Q CB 1.491 30.289 28.738 0.100 0.000 1.315 1394 Q HN 0.203 nan 8.270 nan 0.000 0.454 1395 P HA 0.190 nan 4.420 nan 0.000 0.286 1395 P C -0.260 177.133 177.300 0.156 0.000 1.261 1395 P CA -0.379 62.752 63.100 0.052 0.000 0.821 1395 P CB 1.358 33.046 31.700 -0.019 0.000 1.013 1396 T N -0.058 114.630 114.554 0.223 0.000 2.852 1396 T HA 0.191 4.541 4.350 -0.000 0.000 0.256 1396 T C 0.683 175.424 174.700 0.069 0.000 1.038 1396 T CA 0.810 62.985 62.100 0.125 0.000 1.141 1396 T CB -0.015 68.900 68.868 0.079 0.000 0.869 1396 T HN 0.493 nan 8.240 nan 0.000 0.439 1397 A N 0.230 123.091 122.820 0.069 0.000 2.356 1397 A HA 0.740 5.060 4.320 -0.000 0.000 0.310 1397 A C 0.409 178.019 177.584 0.043 0.000 1.075 1397 A CA -0.082 51.982 52.037 0.045 0.000 0.746 1397 A CB 0.889 19.916 19.000 0.045 0.000 1.221 1397 A HN 0.834 nan 8.150 nan 0.000 0.443 1398 G N 1.221 110.035 108.800 0.023 0.000 2.685 1398 G HA2 0.262 4.222 3.960 -0.000 0.000 0.387 1398 G HA3 0.262 4.222 3.960 -0.000 0.000 0.387 1398 G C -0.689 174.198 174.900 -0.021 0.000 1.324 1398 G CA -0.083 45.026 45.100 0.015 0.000 0.878 1398 G HN 1.709 nan 8.290 nan 0.000 0.527 1399 E N -1.466 118.709 120.200 -0.042 0.000 2.367 1399 E HA 0.694 5.044 4.350 -0.000 0.000 0.273 1399 E C -0.665 175.861 176.600 -0.124 0.000 0.903 1399 E CA -1.311 55.039 56.400 -0.083 0.000 0.764 1399 E CB 2.145 31.797 29.700 -0.080 0.000 1.252 1399 E HN 0.705 nan 8.360 nan 0.000 0.446 1400 I N 1.833 122.308 120.570 -0.159 0.000 2.312 1400 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 1400 I C -0.254 175.753 176.117 -0.184 0.000 1.008 1400 I CA -0.766 60.422 61.300 -0.187 0.000 1.226 1400 I CB 1.402 39.298 38.000 -0.174 0.000 1.371 1400 I HN 0.578 nan 8.210 nan 0.000 0.468 1401 T N 4.593 119.064 114.554 -0.139 0.000 2.772 1401 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 1401 T C -0.485 174.177 174.700 -0.063 0.000 0.994 1401 T CA -0.576 61.458 62.100 -0.111 0.000 0.951 1401 T CB 1.513 70.336 68.868 -0.074 0.000 0.933 1401 T HN 0.472 nan 8.240 nan 0.000 0.447 1402 I N 3.525 124.048 120.570 -0.078 0.000 2.325 1402 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 1402 I C -0.194 175.932 176.117 0.015 0.000 1.019 1402 I CA 0.033 61.340 61.300 0.011 0.000 1.302 1402 I CB 0.257 38.295 38.000 0.063 0.000 1.401 1402 I HN 0.807 nan 8.210 nan 0.000 0.485 1403 D N 6.041 126.464 120.400 0.038 0.000 2.701 1403 D HA -0.235 4.405 4.640 -0.000 0.000 0.235 1403 D C 1.018 177.324 176.300 0.010 0.000 1.155 1403 D CA 1.160 55.178 54.000 0.030 0.000 0.649 1403 D CB -1.003 39.821 40.800 0.039 0.000 1.050 1403 D HN 1.162 nan 8.370 nan 0.000 0.425 1404 G N -1.218 107.582 108.800 -0.001 0.000 2.458 1404 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.237 1404 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.237 1404 G C 0.503 175.387 174.900 -0.027 0.000 1.113 1404 G CA 1.191 46.285 45.100 -0.011 0.000 0.655 1404 G HN 1.086 nan 8.290 nan 0.000 0.513 1405 Q N 1.983 121.766 119.800 -0.029 0.000 2.295 1405 Q HA 0.694 5.034 4.340 -0.000 0.000 0.259 1405 Q C -1.777 174.174 176.000 -0.082 0.000 0.976 1405 Q CA -0.929 54.846 55.803 -0.046 0.000 0.923 1405 Q CB 0.026 28.744 28.738 -0.033 0.000 1.185 1405 Q HN 0.484 nan 8.270 nan 0.000 0.410 1406 P HA -0.024 nan 4.420 nan 0.000 0.268 1406 P C 0.343 177.503 177.300 -0.233 0.000 1.189 1406 P CA 0.162 63.171 63.100 -0.152 0.000 0.771 1406 P CB 0.565 32.188 31.700 -0.127 0.000 0.822 1407 I N 0.840 121.194 120.570 -0.360 0.000 2.546 1407 I HA -0.136 4.034 4.170 -0.000 0.000 0.255 1407 I C 0.735 176.574 176.117 -0.465 0.000 1.163 1407 I CA 1.292 62.212 61.300 -0.634 0.000 1.457 1407 I CB -0.351 37.064 38.000 -0.974 0.000 1.092 1407 I HN 0.282 nan 8.210 nan 0.000 0.434 1408 D N 1.321 121.540 120.400 -0.301 0.000 2.504 1408 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 1408 D C 0.516 176.733 176.300 -0.138 0.000 1.203 1408 D CA 0.385 54.263 54.000 -0.204 0.000 0.847 1408 D CB -0.313 40.394 40.800 -0.155 0.000 0.973 1408 D HN 0.244 nan 8.370 nan 0.000 0.490 1409 N N -0.031 118.582 118.700 -0.144 0.000 2.241 1409 N HA 0.204 4.944 4.740 -0.000 0.000 0.238 1409 N C -0.182 175.288 175.510 -0.067 0.000 1.244 1409 N CA -0.083 52.914 53.050 -0.089 0.000 0.880 1409 N CB 1.732 40.173 38.487 -0.077 0.000 1.179 1409 N HN 0.195 nan 8.380 nan 0.000 0.513 1410 I N 0.406 120.927 120.570 -0.082 0.000 2.846 1410 I HA 0.255 4.425 4.170 -0.000 0.000 0.307 1410 I C 0.775 176.890 176.117 -0.005 0.000 1.053 1410 I CA -0.697 60.590 61.300 -0.021 0.000 1.050 1410 I CB 2.050 40.067 38.000 0.027 0.000 1.239 1410 I HN -0.039 nan 8.210 nan 0.000 0.439 1411 S N 3.953 119.674 115.700 0.035 0.000 2.634 1411 S HA 0.231 4.701 4.470 -0.000 0.000 0.254 1411 S C 0.833 175.474 174.600 0.068 0.000 1.299 1411 S CA -0.445 57.779 58.200 0.040 0.000 0.974 1411 S CB 0.379 63.605 63.200 0.043 0.000 1.001 1411 S HN 0.556 nan 8.310 nan 0.000 0.584 1412 L N -0.418 120.839 121.223 0.057 0.000 2.509 1412 L HA 0.233 4.573 4.340 -0.000 0.000 0.222 1412 L C 1.139 178.054 176.870 0.074 0.000 1.123 1412 L CA 0.813 55.693 54.840 0.066 0.000 0.856 1412 L CB -0.546 41.539 42.059 0.044 0.000 0.985 1412 L HN 0.715 nan 8.230 nan 0.000 0.456 1413 E N -0.192 120.049 120.200 0.068 0.000 3.157 1413 E HA 0.152 4.502 4.350 -0.000 0.000 0.203 1413 E C 0.021 176.654 176.600 0.054 0.000 0.982 1413 E CA -0.155 56.277 56.400 0.053 0.000 1.217 1413 E CB 0.493 30.215 29.700 0.036 0.000 1.123 1413 E HN 0.266 nan 8.360 nan 0.000 0.457 1414 N N -0.607 118.143 118.700 0.085 0.000 2.354 1414 N HA -0.023 4.717 4.740 -0.000 0.000 0.253 1414 N C 0.913 176.468 175.510 0.074 0.000 1.096 1414 N CA -0.020 53.075 53.050 0.076 0.000 0.820 1414 N CB 0.025 38.571 38.487 0.098 0.000 1.610 1414 N HN 0.253 nan 8.380 nan 0.000 0.501 1415 W N 3.191 124.479 121.300 -0.020 0.000 2.354 1415 W HA -0.040 4.620 4.660 -0.000 0.000 0.315 1415 W C 1.818 178.309 176.519 -0.046 0.000 1.206 1415 W CA 1.295 58.619 57.345 -0.034 0.000 1.290 1415 W CB 0.009 29.440 29.460 -0.049 0.000 1.152 1415 W HN 0.004 nan 8.180 nan 0.000 0.489 1416 R N 0.389 120.830 120.500 -0.098 0.000 2.096 1416 R HA -0.189 4.151 4.340 -0.000 0.000 0.229 1416 R C 2.631 178.823 176.300 -0.179 0.000 1.134 1416 R CA 2.798 58.790 56.100 -0.180 0.000 0.917 1416 R CB -1.050 29.219 30.300 -0.052 0.000 0.832 1416 R HN 0.191 nan 8.270 nan 0.000 0.430 1417 S N 0.463 116.116 115.700 -0.078 0.000 2.387 1417 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 1417 S C 1.950 176.540 174.600 -0.017 0.000 1.026 1417 S CA 0.845 59.025 58.200 -0.033 0.000 0.972 1417 S CB -0.162 63.042 63.200 0.006 0.000 0.814 1417 S HN 0.350 nan 8.310 nan 0.000 0.477 1418 Q N 0.352 120.124 119.800 -0.047 0.000 2.134 1418 Q HA 0.299 4.639 4.340 -0.000 0.000 0.195 1418 Q C 2.229 178.174 176.000 -0.092 0.000 0.958 1418 Q CA 1.015 56.796 55.803 -0.037 0.000 0.840 1418 Q CB -0.088 28.641 28.738 -0.015 0.000 0.918 1418 Q HN 0.540 nan 8.270 nan 0.000 0.467 1419 I N 0.094 120.544 120.570 -0.200 0.000 2.628 1419 I HA 0.053 4.223 4.170 -0.000 0.000 0.255 1419 I C 1.189 177.035 176.117 -0.451 0.000 1.119 1419 I CA 0.089 61.196 61.300 -0.321 0.000 1.448 1419 I CB -0.007 37.753 38.000 -0.399 0.000 1.133 1419 I HN 0.044 nan 8.210 nan 0.000 0.438 1420 G N 1.198 109.633 108.800 -0.609 0.000 2.358 1420 G HA2 0.318 4.278 3.960 -0.000 0.000 0.273 1420 G HA3 0.318 4.278 3.960 -0.000 0.000 0.273 1420 G C -1.174 173.604 174.900 -0.204 0.000 1.215 1420 G CA 0.136 44.899 45.100 -0.562 0.000 0.910 1420 G HN 0.049 nan 8.290 nan 0.000 0.467 1421 F N 2.653 122.402 119.950 -0.334 0.000 2.613 1421 F HA 0.665 5.192 4.527 -0.000 0.000 0.310 1421 F C -0.978 174.701 175.800 -0.202 0.000 1.085 1421 F CA -0.880 56.984 58.000 -0.227 0.000 0.945 1421 F CB 2.434 41.316 39.000 -0.196 0.000 1.298 1421 F HN 0.388 nan 8.300 nan 0.000 0.455 1422 V N 3.348 122.636 119.914 -1.044 0.000 2.612 1422 V HA 0.315 4.435 4.120 -0.000 0.000 0.301 1422 V C -0.719 174.904 176.094 -0.786 0.000 1.059 1422 V CA -1.068 60.897 62.300 -0.560 0.000 0.886 1422 V CB 1.738 33.373 31.823 -0.314 0.000 1.007 1422 V HN 0.894 nan 8.190 nan 0.000 0.426 1423 S N 3.566 119.142 115.700 -0.206 0.000 2.558 1423 S HA 0.032 4.502 4.470 -0.000 0.000 0.293 1423 S C 0.649 175.172 174.600 -0.129 0.000 1.292 1423 S CA 0.010 58.216 58.200 0.011 0.000 1.063 1423 S CB 0.648 63.908 63.200 0.100 0.000 0.831 1423 S HN 0.796 nan 8.310 nan 0.000 0.499 1424 Q N 1.304 121.047 119.800 -0.096 0.000 2.339 1424 Q HA -0.005 4.335 4.340 -0.000 0.000 0.205 1424 Q C 0.790 176.753 176.000 -0.062 0.000 0.925 1424 Q CA 0.303 56.042 55.803 -0.106 0.000 0.898 1424 Q CB -0.161 28.511 28.738 -0.109 0.000 1.013 1424 Q HN 0.747 nan 8.270 nan 0.000 0.504 1425 D N 1.283 121.664 120.400 -0.032 0.000 6.262 1425 D HA -0.318 4.322 4.640 -0.000 0.000 0.341 1425 D C 1.528 177.802 176.300 -0.043 0.000 1.911 1425 D CA 2.588 56.571 54.000 -0.028 0.000 0.868 1425 D CB -1.062 39.731 40.800 -0.013 0.000 0.355 1425 D HN 0.453 nan 8.370 nan 0.000 1.078 1426 S N -0.608 115.065 115.700 -0.044 0.000 2.634 1426 S HA 0.506 4.976 4.470 -0.000 0.000 0.221 1426 S C 1.735 176.298 174.600 -0.062 0.000 0.952 1426 S CA 0.558 58.728 58.200 -0.049 0.000 0.930 1426 S CB 0.570 63.746 63.200 -0.040 0.000 0.780 1426 S HN 0.469 nan 8.310 nan 0.000 0.498 1427 A N 2.350 125.124 122.820 -0.077 0.000 1.948 1427 A HA 0.114 4.434 4.320 -0.000 0.000 0.220 1427 A C 1.055 178.573 177.584 -0.109 0.000 1.177 1427 A CA 1.032 53.007 52.037 -0.103 0.000 0.636 1427 A CB -1.050 17.870 19.000 -0.134 0.000 0.815 1427 A HN 0.911 nan 8.150 nan 0.000 0.449 1428 I N -0.936 119.576 120.570 -0.097 0.000 8.319 1428 I HA -0.214 3.956 4.170 -0.000 0.000 0.126 1428 I C -0.296 175.754 176.117 -0.111 0.000 1.836 1428 I CA 0.195 61.441 61.300 -0.090 0.000 2.073 1428 I CB -1.187 36.770 38.000 -0.070 0.000 3.775 1428 I HN 0.387 nan 8.210 nan 0.000 0.180 1429 M N 4.929 124.463 119.600 -0.110 0.000 2.664 1429 M HA 0.915 5.395 4.480 -0.000 0.000 0.314 1429 M C 0.003 176.257 176.300 -0.077 0.000 1.200 1429 M CA -0.587 54.640 55.300 -0.120 0.000 0.916 1429 M CB 2.256 34.773 32.600 -0.138 0.000 1.717 1429 M HN 0.707 nan 8.290 nan 0.000 0.470 1430 A N 0.218 123.001 122.820 -0.062 0.000 2.565 1430 A HA 0.782 5.102 4.320 -0.000 0.000 0.298 1430 A C -0.360 177.219 177.584 -0.008 0.000 1.062 1430 A CA 0.251 52.270 52.037 -0.031 0.000 0.723 1430 A CB 1.332 20.316 19.000 -0.028 0.000 1.282 1430 A HN 1.045 nan 8.150 nan 0.000 0.400 1431 G N 0.015 108.819 108.800 0.006 0.000 2.201 1431 G HA2 0.496 4.456 3.960 -0.000 0.000 0.102 1431 G HA3 0.496 4.456 3.960 -0.000 0.000 0.102 1431 G C -0.170 174.745 174.900 0.024 0.000 0.833 1431 G CA 0.757 45.871 45.100 0.023 0.000 1.207 1431 G HN 1.402 nan 8.290 nan 0.000 0.435 1432 T N 0.304 114.875 114.554 0.028 0.000 2.896 1432 T HA 0.523 4.873 4.350 -0.000 0.000 0.297 1432 T C 1.246 175.962 174.700 0.026 0.000 1.108 1432 T CA -0.378 61.739 62.100 0.028 0.000 1.004 1432 T CB 2.118 71.003 68.868 0.028 0.000 1.159 1432 T HN 0.270 nan 8.240 nan 0.000 0.499 1433 I N 0.674 121.261 120.570 0.027 0.000 2.315 1433 I HA -0.064 4.106 4.170 -0.000 0.000 0.248 1433 I C 2.749 178.857 176.117 -0.015 0.000 1.117 1433 I CA 1.113 62.429 61.300 0.026 0.000 1.404 1433 I CB -0.163 37.862 38.000 0.041 0.000 1.071 1433 I HN 0.550 nan 8.210 nan 0.000 0.419 1434 R N 1.261 121.743 120.500 -0.029 0.000 2.066 1434 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 1434 R C 2.140 178.426 176.300 -0.023 0.000 1.131 1434 R CA 1.700 57.769 56.100 -0.052 0.000 0.955 1434 R CB -0.108 30.173 30.300 -0.032 0.000 0.851 1434 R HN 0.356 nan 8.270 nan 0.000 0.432 1435 E N -0.153 120.055 120.200 0.014 0.000 2.153 1435 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 1435 E C 1.733 178.387 176.600 0.090 0.000 0.988 1435 E CA 1.493 57.922 56.400 0.049 0.000 0.811 1435 E CB -0.091 29.644 29.700 0.058 0.000 0.746 1435 E HN 0.520 nan 8.360 nan 0.000 0.466 1436 N N 0.343 119.077 118.700 0.057 0.000 2.142 1436 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 1436 N C 1.712 177.249 175.510 0.046 0.000 1.023 1436 N CA 0.384 53.462 53.050 0.046 0.000 0.852 1436 N CB 0.027 38.514 38.487 0.000 0.000 0.998 1436 N HN -0.002 nan 8.380 nan 0.000 0.424 1437 L N 0.343 121.569 121.223 0.004 0.000 2.217 1437 L HA 0.005 4.345 4.340 -0.000 0.000 0.211 1437 L C 1.874 178.700 176.870 -0.073 0.000 1.107 1437 L CA 1.404 56.221 54.840 -0.039 0.000 0.783 1437 L CB -0.223 41.780 42.059 -0.095 0.000 0.919 1437 L HN 0.065 nan 8.230 nan 0.000 0.442 1438 T N -1.808 112.720 114.554 -0.042 0.000 3.067 1438 T HA -0.065 4.285 4.350 -0.000 0.000 0.257 1438 T C 0.078 174.810 174.700 0.053 0.000 1.105 1438 T CA -0.209 61.863 62.100 -0.046 0.000 1.104 1438 T CB -0.323 68.535 68.868 -0.017 0.000 0.925 1438 T HN 0.190 nan 8.240 nan 0.000 0.498 1439 Y N 2.492 122.778 120.300 -0.023 0.000 2.833 1439 Y HA 0.161 4.711 4.550 0.000 0.000 0.391 1439 Y C 1.270 177.179 175.900 0.014 0.000 1.389 1439 Y CA 0.425 58.524 58.100 -0.002 0.000 1.817 1439 Y CB -0.801 37.653 38.460 -0.010 0.000 1.258 1439 Y HN 0.353 nan 8.280 nan 0.000 0.488 1440 G N 5.281 113.963 108.800 -0.196 0.000 2.314 1440 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.292 1440 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.292 1440 G C 0.606 175.518 174.900 0.020 0.000 1.059 1440 G CA 0.450 45.478 45.100 -0.121 0.000 0.982 1440 G HN 0.746 nan 8.290 nan 0.000 0.505 1441 L N -1.527 119.743 121.223 0.078 0.000 2.307 1441 L HA 0.318 4.658 4.340 -0.000 0.000 0.211 1441 L C 1.745 178.688 176.870 0.121 0.000 1.099 1441 L CA 1.294 56.224 54.840 0.150 0.000 0.816 1441 L CB 0.005 42.238 42.059 0.289 0.000 0.952 1441 L HN 0.576 nan 8.230 nan 0.000 0.455 1442 E N -1.068 119.180 120.200 0.081 0.000 4.393 1442 E HA -0.113 4.237 4.350 -0.000 0.000 0.400 1442 E C 0.326 176.927 176.600 0.002 0.000 0.566 1442 E CA 0.176 56.595 56.400 0.032 0.000 1.524 1442 E CB -1.038 28.677 29.700 0.025 0.000 1.913 1442 E HN 0.532 nan 8.360 nan 0.000 0.328 1443 G N -0.387 108.413 108.800 0.000 0.000 2.827 1443 G HA2 0.514 4.474 3.960 -0.000 0.000 0.296 1443 G HA3 0.514 4.474 3.960 -0.000 0.000 0.296 1443 G C -1.469 173.384 174.900 -0.079 0.000 1.362 1443 G CA -0.411 44.633 45.100 -0.093 0.000 0.809 1443 G HN 0.013 nan 8.290 nan 0.000 0.522 1444 D N -0.449 119.863 120.400 -0.148 0.000 2.229 1444 D HA 0.539 5.179 4.640 -0.000 0.000 0.249 1444 D C -0.974 175.204 176.300 -0.204 0.000 1.027 1444 D CA 0.267 54.223 54.000 -0.073 0.000 0.923 1444 D CB 1.908 42.681 40.800 -0.045 0.000 1.174 1444 D HN 0.220 nan 8.370 nan 0.000 0.443 1445 Y N -0.470 119.831 120.300 0.002 0.000 2.650 1445 Y HA 0.395 4.945 4.550 0.000 0.000 0.331 1445 Y C 0.479 176.382 175.900 0.004 0.000 1.082 1445 Y CA -0.487 57.613 58.100 0.001 0.000 1.171 1445 Y CB 2.015 40.471 38.460 -0.006 0.000 1.326 1445 Y HN 0.097 nan 8.280 nan 0.000 0.513 1446 T N 0.271 114.997 114.554 0.288 0.000 2.861 1446 T HA 0.158 4.508 4.350 -0.000 0.000 0.287 1446 T C -0.220 174.566 174.700 0.143 0.000 1.003 1446 T CA -0.778 61.420 62.100 0.163 0.000 0.977 1446 T CB 1.449 70.391 68.868 0.124 0.000 0.996 1446 T HN 0.472 nan 8.240 nan 0.000 0.448 1447 D N 1.283 121.757 120.400 0.123 0.000 2.144 1447 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 1447 D C 1.791 178.249 176.300 0.263 0.000 0.984 1447 D CA 1.200 55.274 54.000 0.124 0.000 0.834 1447 D CB 0.231 41.168 40.800 0.229 0.000 0.955 1447 D HN 0.655 nan 8.370 nan 0.000 0.465 1448 E N 0.272 120.624 120.200 0.255 0.000 2.150 1448 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 1448 E C 1.218 177.926 176.600 0.180 0.000 0.985 1448 E CA 0.693 57.238 56.400 0.242 0.000 0.814 1448 E CB 0.087 29.872 29.700 0.143 0.000 0.752 1448 E HN 0.225 nan 8.360 nan 0.000 0.466 1449 D N 0.560 121.046 120.400 0.144 0.000 2.162 1449 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 1449 D C 1.983 178.329 176.300 0.077 0.000 0.967 1449 D CA 0.530 54.610 54.000 0.134 0.000 0.840 1449 D CB 0.027 40.959 40.800 0.221 0.000 0.972 1449 D HN 0.099 nan 8.370 nan 0.000 0.482 1450 L N -1.100 120.125 121.223 0.003 0.000 2.156 1450 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 1450 L C 1.939 178.669 176.870 -0.233 0.000 1.095 1450 L CA 0.741 55.465 54.840 -0.193 0.000 0.770 1450 L CB -0.260 41.582 42.059 -0.362 0.000 0.914 1450 L HN 0.166 nan 8.230 nan 0.000 0.439 1451 W N -0.032 121.260 121.300 -0.013 0.000 2.576 1451 W HA -0.066 4.594 4.660 -0.000 0.000 0.270 1451 W C 2.629 179.125 176.519 -0.039 0.000 1.255 1451 W CA 0.062 57.388 57.345 -0.032 0.000 1.314 1451 W CB -0.011 29.430 29.460 -0.032 0.000 1.101 1451 W HN 0.119 nan 8.180 nan 0.000 0.595 1452 Q N -0.164 119.730 119.800 0.157 0.000 2.170 1452 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 1452 Q C 2.000 177.985 176.000 -0.024 0.000 0.976 1452 Q CA 1.377 57.216 55.803 0.060 0.000 0.858 1452 Q CB -0.227 28.536 28.738 0.041 0.000 0.907 1452 Q HN 0.175 nan 8.270 nan 0.000 0.433 1453 V N 0.170 120.062 119.914 -0.037 0.000 2.878 1453 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 1453 V C 1.777 177.853 176.094 -0.031 0.000 1.075 1453 V CA 0.928 63.169 62.300 -0.097 0.000 1.096 1453 V CB -0.034 31.767 31.823 -0.037 0.000 0.724 1453 V HN 0.321 nan 8.190 nan 0.000 0.467 1454 L N -0.387 120.838 121.223 0.004 0.000 2.313 1454 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 1454 L C 2.010 178.957 176.870 0.128 0.000 1.119 1454 L CA 0.890 55.756 54.840 0.044 0.000 0.809 1454 L CB -0.380 41.649 42.059 -0.051 0.000 0.933 1454 L HN 0.313 nan 8.230 nan 0.000 0.449 1455 D N -0.146 120.325 120.400 0.117 0.000 2.137 1455 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 1455 D C 2.025 178.438 176.300 0.189 0.000 0.970 1455 D CA 0.799 54.861 54.000 0.103 0.000 0.837 1455 D CB -0.012 40.815 40.800 0.045 0.000 0.981 1455 D HN 0.061 nan 8.370 nan 0.000 0.475 1456 L N 0.514 121.782 121.223 0.076 0.000 2.201 1456 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 1456 L C 1.894 178.842 176.870 0.129 0.000 1.105 1456 L CA 1.026 55.849 54.840 -0.028 0.000 0.775 1456 L CB -0.471 41.230 42.059 -0.597 0.000 0.913 1456 L HN -0.030 nan 8.230 nan 0.000 0.440 1457 A N -2.047 120.913 122.820 0.232 0.000 2.147 1457 A HA 0.135 4.455 4.320 -0.000 0.000 0.211 1457 A C 0.867 178.620 177.584 0.282 0.000 1.160 1457 A CA -0.058 52.165 52.037 0.309 0.000 0.781 1457 A CB -0.411 18.774 19.000 0.309 0.000 0.842 1457 A HN 0.390 nan 8.150 nan 0.000 0.475 1458 F N -2.746 117.268 119.950 0.106 0.000 2.890 1458 F HA -0.253 4.274 4.527 -0.000 0.000 0.333 1458 F C 0.956 176.830 175.800 0.124 0.000 1.012 1458 F CA -0.041 58.014 58.000 0.092 0.000 1.090 1458 F CB -1.543 37.513 39.000 0.093 0.000 1.281 1458 F HN 0.351 nan 8.300 nan 0.000 0.786 1459 A N 0.154 123.130 122.820 0.260 0.000 2.600 1459 A HA 0.183 4.503 4.320 -0.000 0.000 0.252 1459 A C 1.530 178.972 177.584 -0.238 0.000 1.200 1459 A CA -0.196 51.944 52.037 0.171 0.000 0.981 1459 A CB 0.104 19.262 19.000 0.263 0.000 1.207 1459 A HN 0.446 nan 8.150 nan 0.000 0.577 1460 R N 0.895 121.372 120.500 -0.038 0.000 2.395 1460 R HA -0.102 4.238 4.340 -0.000 0.000 0.203 1460 R C 1.437 177.709 176.300 -0.047 0.000 1.076 1460 R CA 1.422 57.532 56.100 0.017 0.000 1.059 1460 R CB -0.045 30.317 30.300 0.104 0.000 0.860 1460 R HN 0.677 nan 8.270 nan 0.000 0.476 1461 S N -0.747 114.871 115.700 -0.137 0.000 2.620 1461 S HA -0.069 4.401 4.470 -0.000 0.000 0.234 1461 S C 1.698 176.279 174.600 -0.032 0.000 1.064 1461 S CA -0.064 58.112 58.200 -0.041 0.000 0.920 1461 S CB -0.646 62.583 63.200 0.048 0.000 0.826 1461 S HN 0.406 nan 8.310 nan 0.000 0.557 1462 F N 3.439 123.445 119.950 0.093 0.000 2.161 1462 F HA 0.000 4.527 4.527 0.000 0.000 0.300 1462 F C 1.961 177.818 175.800 0.095 0.000 1.089 1462 F CA 0.714 58.759 58.000 0.075 0.000 1.282 1462 F CB -1.448 37.586 39.000 0.057 0.000 1.010 1462 F HN 0.067 nan 8.300 nan 0.000 0.485 1463 V N 0.758 120.344 119.914 -0.546 0.000 2.237 1463 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 1463 V C 2.278 178.437 176.094 0.108 0.000 1.046 1463 V CA 2.205 64.373 62.300 -0.219 0.000 1.007 1463 V CB -1.018 30.593 31.823 -0.354 0.000 0.638 1463 V HN 0.367 nan 8.190 nan 0.000 0.445 1464 E N 0.239 120.509 120.200 0.117 0.000 2.510 1464 E HA -0.149 4.201 4.350 -0.000 0.000 0.202 1464 E C 1.588 178.219 176.600 0.052 0.000 1.072 1464 E CA 0.532 56.980 56.400 0.081 0.000 0.883 1464 E CB -0.046 29.640 29.700 -0.022 0.000 0.818 1464 E HN 0.637 nan 8.360 nan 0.000 0.548 1465 N N -0.427 118.318 118.700 0.075 0.000 2.564 1465 N HA 0.062 4.802 4.740 -0.000 0.000 0.202 1465 N C 0.271 175.831 175.510 0.082 0.000 1.052 1465 N CA 0.203 53.296 53.050 0.073 0.000 0.872 1465 N CB 0.195 38.730 38.487 0.080 0.000 1.303 1465 N HN 0.100 nan 8.380 nan 0.000 0.440 1466 M N 3.035 122.701 119.600 0.109 0.000 2.435 1466 M HA 0.121 4.601 4.480 -0.000 0.000 0.338 1466 M C -1.859 174.495 176.300 0.090 0.000 1.628 1466 M CA -1.020 54.341 55.300 0.101 0.000 1.215 1466 M CB 0.263 32.940 32.600 0.127 0.000 1.905 1466 M HN -0.153 nan 8.290 nan 0.000 0.457 1467 P HA -0.060 nan 4.420 nan 0.000 0.274 1467 P C -0.333 177.004 177.300 0.063 0.000 1.370 1467 P CA 0.821 63.958 63.100 0.062 0.000 0.760 1467 P CB -0.005 31.722 31.700 0.044 0.000 1.308 1468 D N -1.147 119.295 120.400 0.071 0.000 2.535 1468 D HA 0.016 4.656 4.640 -0.000 0.000 0.229 1468 D C 0.390 176.742 176.300 0.088 0.000 1.238 1468 D CA -0.050 53.991 54.000 0.067 0.000 0.824 1468 D CB -0.101 40.731 40.800 0.054 0.000 1.045 1468 D HN 0.304 nan 8.370 nan 0.000 0.500 1469 Q N 1.163 121.031 119.800 0.114 0.000 3.555 1469 Q HA -0.185 4.155 4.340 -0.000 0.000 0.401 1469 Q C 0.746 176.837 176.000 0.151 0.000 1.052 1469 Q CA 0.621 56.521 55.803 0.161 0.000 1.214 1469 Q CB 0.494 29.380 28.738 0.247 0.000 1.150 1469 Q HN 0.263 nan 8.270 nan 0.000 0.509 1470 L N 2.187 123.437 121.223 0.045 0.000 3.211 1470 L HA -0.312 4.028 4.340 -0.000 0.000 0.417 1470 L C -0.137 176.723 176.870 -0.017 0.000 0.707 1470 L CA 2.242 57.040 54.840 -0.069 0.000 2.938 1470 L CB -1.188 40.833 42.059 -0.064 0.000 0.825 1470 L HN 0.938 nan 8.230 nan 0.000 0.704 1471 N N -0.679 118.040 118.700 0.031 0.000 2.184 1471 N HA 0.208 4.948 4.740 -0.000 0.000 0.206 1471 N C 0.188 175.720 175.510 0.038 0.000 1.151 1471 N CA 0.681 53.750 53.050 0.032 0.000 0.878 1471 N CB 0.371 38.883 38.487 0.041 0.000 1.014 1471 N HN 0.397 nan 8.380 nan 0.000 0.512 1472 T N 1.471 116.053 114.554 0.048 0.000 2.855 1472 T HA 0.032 4.382 4.350 -0.000 0.000 0.314 1472 T C 0.556 175.283 174.700 0.046 0.000 1.077 1472 T CA 0.256 62.388 62.100 0.054 0.000 1.095 1472 T CB 1.205 70.117 68.868 0.074 0.000 0.987 1472 T HN 0.052 nan 8.240 nan 0.000 0.546 1473 E N 0.621 120.846 120.200 0.042 0.000 2.301 1473 E HA 0.488 4.838 4.350 -0.000 0.000 0.275 1473 E C -1.041 175.579 176.600 0.034 0.000 1.030 1473 E CA -0.508 55.911 56.400 0.033 0.000 0.852 1473 E CB 1.389 31.105 29.700 0.027 0.000 1.060 1473 E HN 0.190 nan 8.360 nan 0.000 0.401 1474 V N 2.251 122.179 119.914 0.024 0.000 2.624 1474 V HA 0.602 4.722 4.120 -0.000 0.000 0.294 1474 V C 0.180 176.273 176.094 -0.002 0.000 1.077 1474 V CA -0.194 62.114 62.300 0.014 0.000 0.905 1474 V CB 1.395 33.233 31.823 0.024 0.000 1.025 1474 V HN 0.937 nan 8.190 nan 0.000 0.440 1475 G N 3.592 112.388 108.800 -0.007 0.000 2.398 1475 G HA2 0.131 4.091 3.960 -0.000 0.000 0.251 1475 G HA3 0.131 4.091 3.960 -0.000 0.000 0.251 1475 G C 0.012 174.906 174.900 -0.011 0.000 1.277 1475 G CA -0.140 44.952 45.100 -0.014 0.000 0.927 1475 G HN 0.433 nan 8.290 nan 0.000 0.477 1476 E N 0.079 120.272 120.200 -0.011 0.000 2.472 1476 E HA -0.014 4.336 4.350 -0.000 0.000 0.200 1476 E C 2.252 178.850 176.600 -0.003 0.000 1.046 1476 E CA 0.628 57.023 56.400 -0.009 0.000 0.871 1476 E CB 0.138 29.832 29.700 -0.010 0.000 0.806 1476 E HN 0.326 nan 8.360 nan 0.000 0.533 1477 R N -0.169 120.331 120.500 0.000 0.000 1.950 1477 R HA 0.235 4.574 4.340 -0.000 0.000 0.200 1477 R C 1.032 177.336 176.300 0.006 0.000 1.476 1477 R CA 0.755 56.858 56.100 0.005 0.000 1.145 1477 R CB 0.059 30.364 30.300 0.008 0.000 0.942 1477 R HN 0.016 nan 8.270 nan 0.000 0.484 1478 G N -1.087 107.718 108.800 0.009 0.000 2.695 1478 G HA2 0.402 4.362 3.960 -0.000 0.000 0.290 1478 G HA3 0.402 4.362 3.960 -0.000 0.000 0.290 1478 G C -0.713 174.197 174.900 0.016 0.000 1.410 1478 G CA -0.606 44.501 45.100 0.012 0.000 0.844 1478 G HN 0.075 nan 8.290 nan 0.000 0.478 1479 V N 0.089 120.015 119.914 0.019 0.000 6.029 1479 V HA -0.231 3.889 4.120 -0.000 0.000 0.242 1479 V C 1.051 177.154 176.094 0.014 0.000 0.637 1479 V CA 0.967 63.283 62.300 0.026 0.000 0.603 1479 V CB -2.095 29.755 31.823 0.044 0.000 0.423 1479 V HN 0.951 nan 8.190 nan 0.000 0.520 1480 K N 2.143 122.544 120.400 0.003 0.000 2.457 1480 K HA 0.366 4.686 4.320 -0.000 0.000 0.269 1480 K C 0.313 176.895 176.600 -0.031 0.000 0.969 1480 K CA 0.541 56.821 56.287 -0.013 0.000 0.921 1480 K CB 0.471 32.963 32.500 -0.013 0.000 0.940 1480 K HN 0.734 nan 8.250 nan 0.000 0.517 1481 I N -1.669 118.871 120.570 -0.049 0.000 2.910 1481 I HA 0.417 4.587 4.170 -0.000 0.000 0.310 1481 I C -0.266 175.802 176.117 -0.083 0.000 1.043 1481 I CA -0.991 60.257 61.300 -0.087 0.000 1.053 1481 I CB 2.134 40.072 38.000 -0.104 0.000 1.242 1481 I HN 0.620 nan 8.210 nan 0.000 0.452 1482 S N 0.942 116.575 115.700 -0.112 0.000 2.569 1482 S HA 0.669 5.139 4.470 -0.000 0.000 0.280 1482 S C -0.200 174.339 174.600 -0.102 0.000 1.111 1482 S CA -0.780 57.367 58.200 -0.088 0.000 0.887 1482 S CB 1.467 64.625 63.200 -0.071 0.000 1.095 1482 S HN 1.061 nan 8.310 nan 0.000 0.476 1483 G N -0.117 108.640 108.800 -0.072 0.000 2.327 1483 G HA2 0.468 4.428 3.960 -0.000 0.000 0.278 1483 G HA3 0.468 4.428 3.960 -0.000 0.000 0.278 1483 G C 0.879 175.742 174.900 -0.062 0.000 1.145 1483 G CA 0.160 45.221 45.100 -0.064 0.000 1.097 1483 G HN 1.744 nan 8.290 nan 0.000 0.430 1484 G N 1.827 110.581 108.800 -0.076 0.000 4.332 1484 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.198 1484 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.198 1484 G C 1.120 175.961 174.900 -0.098 0.000 1.460 1484 G CA 0.673 45.736 45.100 -0.061 0.000 0.900 1484 G HN 0.647 nan 8.290 nan 0.000 0.325 1485 Q N 0.622 120.304 119.800 -0.196 0.000 2.046 1485 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 1485 Q C 2.618 178.434 176.000 -0.306 0.000 0.975 1485 Q CA 1.478 57.036 55.803 -0.409 0.000 0.836 1485 Q CB -0.108 28.233 28.738 -0.661 0.000 0.896 1485 Q HN 0.536 nan 8.270 nan 0.000 0.428 1486 R N -0.052 120.318 120.500 -0.218 0.000 2.119 1486 R HA -0.215 4.125 4.340 -0.000 0.000 0.246 1486 R C 2.354 178.605 176.300 -0.083 0.000 1.146 1486 R CA 2.203 58.219 56.100 -0.139 0.000 0.962 1486 R CB -0.179 30.056 30.300 -0.107 0.000 0.863 1486 R HN 0.515 nan 8.270 nan 0.000 0.442 1487 Q N -0.373 119.388 119.800 -0.065 0.000 2.187 1487 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 1487 Q C 2.016 178.016 176.000 -0.000 0.000 0.957 1487 Q CA 0.724 56.509 55.803 -0.031 0.000 0.857 1487 Q CB 0.007 28.728 28.738 -0.028 0.000 0.929 1487 Q HN 0.326 nan 8.270 nan 0.000 0.453 1488 R N 0.513 121.022 120.500 0.016 0.000 2.152 1488 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 1488 R C 2.061 178.435 176.300 0.124 0.000 1.117 1488 R CA 0.842 56.993 56.100 0.085 0.000 0.981 1488 R CB -0.148 30.250 30.300 0.163 0.000 0.870 1488 R HN 0.238 nan 8.270 nan 0.000 0.451 1489 L N -0.257 121.027 121.223 0.102 0.000 2.270 1489 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 1489 L C 2.434 179.342 176.870 0.063 0.000 1.104 1489 L CA 0.486 55.392 54.840 0.110 0.000 0.804 1489 L CB -0.268 41.846 42.059 0.092 0.000 0.937 1489 L HN 0.195 nan 8.230 nan 0.000 0.450 1490 A N -0.029 122.812 122.820 0.034 0.000 2.014 1490 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 1490 A C 2.119 179.739 177.584 0.060 0.000 1.163 1490 A CA 1.082 53.135 52.037 0.027 0.000 0.652 1490 A CB -0.349 18.649 19.000 -0.003 0.000 0.808 1490 A HN 0.328 nan 8.150 nan 0.000 0.449 1491 I N -0.687 119.907 120.570 0.041 0.000 2.584 1491 I HA -0.122 4.048 4.170 -0.000 0.000 0.255 1491 I C 2.799 178.916 176.117 0.000 0.000 1.145 1491 I CA 0.837 62.128 61.300 -0.014 0.000 1.462 1491 I CB -0.046 37.933 38.000 -0.035 0.000 1.102 1491 I HN 0.314 nan 8.210 nan 0.000 0.433 1492 A N 0.633 123.527 122.820 0.125 0.000 1.930 1492 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 1492 A C 2.351 180.029 177.584 0.157 0.000 1.175 1492 A CA 1.202 53.376 52.037 0.228 0.000 0.627 1492 A CB -0.469 18.629 19.000 0.165 0.000 0.815 1492 A HN 0.252 nan 8.150 nan 0.000 0.443 1493 R N -0.427 120.128 120.500 0.092 0.000 2.103 1493 R HA -0.173 4.167 4.340 -0.000 0.000 0.242 1493 R C 2.496 178.867 176.300 0.119 0.000 1.142 1493 R CA 1.310 57.458 56.100 0.080 0.000 0.960 1493 R CB -0.548 29.807 30.300 0.091 0.000 0.858 1493 R HN 0.526 nan 8.270 nan 0.000 0.439 1494 A N 0.807 123.699 122.820 0.119 0.000 1.884 1494 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 1494 A C 2.042 179.512 177.584 -0.190 0.000 1.197 1494 A CA 1.597 53.594 52.037 -0.065 0.000 0.637 1494 A CB -0.978 17.858 19.000 -0.272 0.000 0.827 1494 A HN 0.327 nan 8.150 nan 0.000 0.450 1495 F N -0.213 119.675 119.950 -0.103 0.000 2.161 1495 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 1495 F C 2.183 177.957 175.800 -0.043 0.000 1.089 1495 F CA 1.172 59.120 58.000 -0.087 0.000 1.282 1495 F CB -0.245 38.727 39.000 -0.046 0.000 1.010 1495 F HN 0.140 nan 8.300 nan 0.000 0.485 1496 L N -0.422 120.910 121.223 0.181 0.000 2.083 1496 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 1496 L C 2.411 179.376 176.870 0.158 0.000 1.083 1496 L CA 1.301 56.229 54.840 0.146 0.000 0.752 1496 L CB -0.573 41.494 42.059 0.013 0.000 0.899 1496 L HN 0.057 nan 8.230 nan 0.000 0.433 1497 R N -0.200 120.365 120.500 0.109 0.000 2.148 1497 R HA -0.108 4.232 4.340 -0.000 0.000 0.223 1497 R C 0.979 177.290 176.300 0.019 0.000 1.088 1497 R CA 0.870 57.025 56.100 0.093 0.000 0.985 1497 R CB -0.394 29.997 30.300 0.153 0.000 0.880 1497 R HN 0.299 nan 8.270 nan 0.000 0.451 1498 N N -0.669 118.011 118.700 -0.033 0.000 2.778 1498 N HA -0.106 4.634 4.740 -0.000 0.000 0.249 1498 N C -2.399 173.036 175.510 -0.126 0.000 1.069 1498 N CA 0.367 53.389 53.050 -0.048 0.000 0.831 1498 N CB -1.193 37.311 38.487 0.028 0.000 1.142 1498 N HN 0.154 nan 8.380 nan 0.000 0.573 1499 P HA -0.156 nan 4.420 nan 0.000 0.270 1499 P C 0.403 177.604 177.300 -0.164 0.000 1.167 1499 P CA 0.681 63.652 63.100 -0.215 0.000 0.759 1499 P CB 0.404 31.898 31.700 -0.345 0.000 0.777 1500 K N 1.354 121.684 120.400 -0.117 0.000 2.323 1500 K HA 0.189 4.509 4.320 -0.000 0.000 0.197 1500 K C 0.558 177.111 176.600 -0.078 0.000 1.043 1500 K CA 0.572 56.815 56.287 -0.074 0.000 0.997 1500 K CB 0.250 32.728 32.500 -0.036 0.000 0.807 1500 K HN 0.400 nan 8.250 nan 0.000 0.497 1501 I N 1.834 122.331 120.570 -0.121 0.000 2.447 1501 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 1501 I C -1.368 174.689 176.117 -0.100 0.000 1.023 1501 I CA -1.076 60.158 61.300 -0.109 0.000 1.083 1501 I CB 1.994 39.895 38.000 -0.165 0.000 1.245 1501 I HN -0.104 nan 8.210 nan 0.000 0.434 1502 L N 7.721 128.905 121.223 -0.064 0.000 2.307 1502 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 1502 L C -0.857 176.018 176.870 0.008 0.000 1.023 1502 L CA -0.025 54.815 54.840 -0.001 0.000 0.810 1502 L CB 1.305 43.329 42.059 -0.057 0.000 1.231 1502 L HN 0.523 nan 8.230 nan 0.000 0.423 1503 M N 6.443 126.061 119.600 0.030 0.000 2.321 1503 M HA 0.535 5.015 4.480 -0.000 0.000 0.315 1503 M C -1.232 175.117 176.300 0.082 0.000 1.052 1503 M CA -0.407 54.820 55.300 -0.122 0.000 0.936 1503 M CB 1.848 34.143 32.600 -0.508 0.000 1.639 1503 M HN 0.430 nan 8.290 nan 0.000 0.433 1504 L N 1.146 122.534 121.223 0.276 0.000 2.309 1504 L HA 0.749 5.089 4.340 -0.000 0.000 0.261 1504 L C -0.890 176.234 176.870 0.423 0.000 1.021 1504 L CA -0.879 54.134 54.840 0.288 0.000 0.823 1504 L CB 2.139 44.323 42.059 0.209 0.000 1.366 1504 L HN 0.579 nan 8.230 nan 0.000 0.423 1505 D N 0.911 121.463 120.400 0.255 0.000 2.613 1505 D HA 0.223 4.863 4.640 -0.000 0.000 0.230 1505 D C -0.831 175.566 176.300 0.162 0.000 1.365 1505 D CA -0.303 53.822 54.000 0.210 0.000 0.976 1505 D CB 1.651 42.558 40.800 0.177 0.000 1.415 1505 D HN 0.537 nan 8.370 nan 0.000 0.589 1506 E N 0.734 121.067 120.200 0.222 0.000 2.376 1506 E HA 0.613 4.963 4.350 -0.000 0.000 0.254 1506 E C -0.214 176.415 176.600 0.049 0.000 1.213 1506 E CA -0.857 55.637 56.400 0.157 0.000 0.945 1506 E CB 0.970 30.795 29.700 0.207 0.000 1.057 1506 E HN 0.441 nan 8.360 nan 0.000 0.479 1507 A N 0.248 123.082 122.820 0.024 0.000 2.325 1507 A HA 0.343 4.663 4.320 -0.000 0.000 0.333 1507 A C 0.241 177.803 177.584 -0.037 0.000 1.155 1507 A CA -0.562 51.450 52.037 -0.041 0.000 0.814 1507 A CB 1.175 20.160 19.000 -0.026 0.000 1.206 1507 A HN 0.519 nan 8.150 nan 0.000 0.482 1508 T N 1.245 115.746 114.554 -0.088 0.000 3.235 1508 T HA 0.390 4.740 4.350 -0.000 0.000 0.251 1508 T C 0.406 175.083 174.700 -0.038 0.000 1.060 1508 T CA 0.945 63.010 62.100 -0.059 0.000 0.949 1508 T CB -0.304 68.506 68.868 -0.096 0.000 1.020 1508 T HN 0.927 nan 8.240 nan 0.000 0.564 1509 A N 2.008 124.808 122.820 -0.033 0.000 2.483 1509 A HA 0.615 4.935 4.320 -0.000 0.000 0.308 1509 A C 0.204 177.777 177.584 -0.017 0.000 1.291 1509 A CA -0.796 51.225 52.037 -0.027 0.000 0.774 1509 A CB 0.553 19.534 19.000 -0.032 0.000 1.134 1509 A HN 0.278 nan 8.150 nan 0.000 0.471 1510 S N 2.922 118.614 115.700 -0.013 0.000 2.474 1510 S HA 0.667 5.137 4.470 -0.000 0.000 0.321 1510 S C -0.396 174.198 174.600 -0.010 0.000 1.080 1510 S CA -0.579 57.617 58.200 -0.008 0.000 1.106 1510 S CB 0.555 63.753 63.200 -0.004 0.000 0.984 1510 S HN 0.530 nan 8.310 nan 0.000 0.464 1511 L N 3.238 124.455 121.223 -0.010 0.000 2.319 1511 L HA 0.335 4.675 4.340 -0.000 0.000 0.280 1511 L C -0.150 176.716 176.870 -0.006 0.000 1.099 1511 L CA -0.726 54.108 54.840 -0.011 0.000 0.828 1511 L CB 0.355 42.406 42.059 -0.015 0.000 1.150 1511 L HN 0.620 nan 8.230 nan 0.000 0.442 1512 D N 1.983 122.379 120.400 -0.006 0.000 2.424 1512 D HA 0.094 4.734 4.640 -0.000 0.000 0.244 1512 D C 1.123 177.425 176.300 0.002 0.000 1.134 1512 D CA 0.844 54.843 54.000 -0.002 0.000 0.881 1512 D CB 1.194 41.992 40.800 -0.003 0.000 1.191 1512 D HN 0.790 nan 8.370 nan 0.000 0.445 1513 S N 1.696 117.399 115.700 0.006 0.000 1.703 1513 S HA -0.394 4.076 4.470 -0.000 0.000 0.232 1513 S C 1.104 175.715 174.600 0.018 0.000 0.865 1513 S CA 1.578 59.785 58.200 0.012 0.000 1.462 1513 S CB -1.424 61.783 63.200 0.012 0.000 1.879 1513 S HN 0.620 nan 8.310 nan 0.000 0.532 1514 E N 1.588 121.797 120.200 0.016 0.000 2.481 1514 E HA 0.158 4.508 4.350 -0.000 0.000 0.195 1514 E C 2.008 178.620 176.600 0.020 0.000 1.047 1514 E CA 0.589 57.003 56.400 0.023 0.000 0.867 1514 E CB -0.017 29.693 29.700 0.017 0.000 0.858 1514 E HN 0.769 nan 8.360 nan 0.000 0.513 1515 S N 1.397 117.104 115.700 0.012 0.000 2.383 1515 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 1515 S C 1.696 176.304 174.600 0.013 0.000 1.030 1515 S CA 1.393 59.598 58.200 0.008 0.000 1.002 1515 S CB -0.050 63.153 63.200 0.004 0.000 0.829 1515 S HN 0.287 nan 8.310 nan 0.000 0.467 1516 E N 1.241 121.453 120.200 0.020 0.000 2.076 1516 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 1516 E C 2.461 179.082 176.600 0.036 0.000 0.979 1516 E CA 1.171 57.585 56.400 0.024 0.000 0.807 1516 E CB -0.374 29.343 29.700 0.030 0.000 0.761 1516 E HN 0.790 nan 8.360 nan 0.000 0.454 1517 S N 0.525 116.257 115.700 0.054 0.000 2.462 1517 S HA -0.174 4.296 4.470 -0.000 0.000 0.243 1517 S C 1.821 176.465 174.600 0.073 0.000 1.003 1517 S CA 1.034 59.286 58.200 0.087 0.000 0.970 1517 S CB -0.202 63.058 63.200 0.099 0.000 0.762 1517 S HN 0.146 nan 8.310 nan 0.000 0.510 1518 M N 0.239 119.861 119.600 0.037 0.000 2.643 1518 M HA 0.162 4.642 4.480 -0.000 0.000 0.209 1518 M C 2.201 178.493 176.300 -0.012 0.000 1.328 1518 M CA 0.604 55.914 55.300 0.017 0.000 1.305 1518 M CB -0.730 31.876 32.600 0.010 0.000 1.048 1518 M HN 0.127 nan 8.290 nan 0.000 0.504 1519 V N 1.279 121.189 119.914 -0.007 0.000 2.231 1519 V HA -0.319 3.801 4.120 -0.000 0.000 0.250 1519 V C 1.968 178.048 176.094 -0.023 0.000 1.058 1519 V CA 2.085 64.378 62.300 -0.012 0.000 1.022 1519 V CB -1.090 30.733 31.823 0.000 0.000 0.640 1519 V HN 0.557 nan 8.190 nan 0.000 0.445 1520 Q N -1.234 118.559 119.800 -0.012 0.000 2.415 1520 Q HA 0.008 4.348 4.340 -0.000 0.000 0.206 1520 Q C 1.773 177.756 176.000 -0.029 0.000 0.946 1520 Q CA 0.452 56.248 55.803 -0.012 0.000 0.951 1520 Q CB 0.155 28.896 28.738 0.006 0.000 1.026 1520 Q HN 0.626 nan 8.270 nan 0.000 0.510 1521 K N -0.214 120.140 120.400 -0.076 0.000 2.313 1521 K HA 0.200 4.520 4.320 -0.000 0.000 0.215 1521 K C 1.954 178.320 176.600 -0.390 0.000 1.109 1521 K CA 0.628 56.798 56.287 -0.195 0.000 0.895 1521 K CB 0.020 32.441 32.500 -0.133 0.000 1.234 1521 K HN 0.011 nan 8.250 nan 0.000 0.463 1522 A N 1.873 124.504 122.820 -0.315 0.000 1.877 1522 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 1522 A C 2.144 179.622 177.584 -0.177 0.000 1.186 1522 A CA 1.343 53.232 52.037 -0.247 0.000 0.620 1522 A CB -0.858 18.076 19.000 -0.110 0.000 0.822 1522 A HN 0.158 nan 8.150 nan 0.000 0.443 1523 L N -0.625 120.522 121.223 -0.127 0.000 2.046 1523 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 1523 L C 2.271 179.079 176.870 -0.103 0.000 1.077 1523 L CA 1.644 56.420 54.840 -0.107 0.000 0.747 1523 L CB -0.847 41.179 42.059 -0.055 0.000 0.896 1523 L HN 0.333 nan 8.230 nan 0.000 0.432 1524 D N -0.003 120.344 120.400 -0.089 0.000 2.127 1524 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 1524 D C 2.348 178.624 176.300 -0.039 0.000 1.000 1524 D CA 2.009 55.975 54.000 -0.057 0.000 0.839 1524 D CB -0.247 40.524 40.800 -0.049 0.000 0.955 1524 D HN 0.347 nan 8.370 nan 0.000 0.446 1525 S N -0.310 115.363 115.700 -0.045 0.000 2.402 1525 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 1525 S C 2.190 176.874 174.600 0.140 0.000 1.021 1525 S CA 0.435 58.697 58.200 0.103 0.000 0.974 1525 S CB -0.528 62.774 63.200 0.170 0.000 0.800 1525 S HN 0.225 nan 8.310 nan 0.000 0.484 1526 L N 0.494 121.627 121.223 -0.150 0.000 1.973 1526 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 1526 L C 2.851 179.590 176.870 -0.219 0.000 1.073 1526 L CA 1.835 56.394 54.840 -0.469 0.000 0.746 1526 L CB -0.526 41.205 42.059 -0.546 0.000 0.891 1526 L HN 0.346 nan 8.230 nan 0.000 0.433 1527 M N -0.696 118.818 119.600 -0.144 0.000 2.435 1527 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 1527 M C 1.968 178.247 176.300 -0.036 0.000 1.065 1527 M CA 1.450 56.703 55.300 -0.078 0.000 1.076 1527 M CB -0.361 32.213 32.600 -0.044 0.000 1.403 1527 M HN 0.074 nan 8.290 nan 0.000 0.454 1528 K N 0.046 120.439 120.400 -0.011 0.000 2.281 1528 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 1528 K C 1.877 178.495 176.600 0.029 0.000 1.046 1528 K CA 1.210 57.511 56.287 0.024 0.000 0.938 1528 K CB -0.194 32.338 32.500 0.054 0.000 0.737 1528 K HN 0.526 nan 8.250 nan 0.000 0.458 1529 G N 0.518 109.333 108.800 0.024 0.000 2.848 1529 G HA2 0.001 3.961 3.960 -0.000 0.000 0.213 1529 G HA3 0.001 3.961 3.960 -0.000 0.000 0.213 1529 G C 0.203 175.108 174.900 0.008 0.000 1.101 1529 G CA -0.366 44.749 45.100 0.025 0.000 0.778 1529 G HN 0.117 nan 8.290 nan 0.000 0.536 1530 R N -0.313 120.179 120.500 -0.013 0.000 2.939 1530 R HA 0.475 4.815 4.340 -0.000 0.000 0.254 1530 R C -1.126 175.168 176.300 -0.011 0.000 1.123 1530 R CA -0.551 55.537 56.100 -0.021 0.000 1.020 1530 R CB -0.335 29.930 30.300 -0.058 0.000 1.206 1530 R HN -0.141 nan 8.270 nan 0.000 0.491 1531 T N 2.287 116.841 114.554 -0.000 0.000 2.771 1531 T HA 0.100 4.450 4.350 -0.000 0.000 0.277 1531 T C -0.374 174.335 174.700 0.015 0.000 0.919 1531 T CA 0.464 62.578 62.100 0.023 0.000 1.163 1531 T CB -0.140 68.755 68.868 0.046 0.000 0.876 1531 T HN 0.389 nan 8.240 nan 0.000 0.545 1532 T N 4.867 119.435 114.554 0.024 0.000 2.875 1532 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 1532 T C -0.243 174.503 174.700 0.077 0.000 0.995 1532 T CA -0.695 61.425 62.100 0.033 0.000 1.060 1532 T CB 0.749 69.631 68.868 0.022 0.000 0.967 1532 T HN 0.246 nan 8.240 nan 0.000 0.476 1533 L N 3.110 124.403 121.223 0.117 0.000 2.406 1533 L HA 0.649 4.989 4.340 -0.000 0.000 0.272 1533 L C -0.430 176.682 176.870 0.403 0.000 0.980 1533 L CA -0.714 54.272 54.840 0.245 0.000 0.831 1533 L CB 1.864 44.094 42.059 0.284 0.000 1.253 1533 L HN 0.407 nan 8.230 nan 0.000 0.406 1534 V N 2.637 122.780 119.914 0.383 0.000 3.103 1534 V HA 0.548 4.668 4.120 -0.000 0.000 0.318 1534 V C -0.240 176.037 176.094 0.306 0.000 1.114 1534 V CA -0.652 61.859 62.300 0.351 0.000 1.020 1534 V CB 2.667 34.593 31.823 0.172 0.000 1.085 1534 V HN 0.539 nan 8.190 nan 0.000 0.446 1535 I N 1.999 122.652 120.570 0.138 0.000 2.537 1535 I HA 0.469 4.639 4.170 -0.000 0.000 0.276 1535 I C 0.299 176.421 176.117 0.007 0.000 1.063 1535 I CA -0.470 60.806 61.300 -0.040 0.000 1.144 1535 I CB 1.283 39.145 38.000 -0.229 0.000 1.252 1535 I HN 0.758 nan 8.210 nan 0.000 0.480 1536 A N 5.513 128.309 122.820 -0.039 0.000 2.444 1536 A HA 0.249 4.569 4.320 -0.000 0.000 0.273 1536 A C 0.366 177.831 177.584 -0.198 0.000 1.136 1536 A CA 0.240 52.254 52.037 -0.038 0.000 0.799 1536 A CB -0.269 18.746 19.000 0.026 0.000 1.081 1536 A HN 0.725 nan 8.150 nan 0.000 0.509 1537 H N 2.733 121.844 119.070 0.069 0.000 2.567 1537 H HA 0.246 4.802 4.556 -0.000 0.000 0.267 1537 H C -0.183 175.154 175.328 0.015 0.000 1.148 1537 H CA 0.109 56.188 56.048 0.051 0.000 1.031 1537 H CB 0.447 30.233 29.762 0.040 0.000 1.691 1537 H HN 0.671 nan 8.280 nan 0.000 0.588 1538 R N 0.703 121.248 120.500 0.075 0.000 2.651 1538 R HA 0.114 4.454 4.340 -0.000 0.000 0.278 1538 R C 0.402 176.696 176.300 -0.009 0.000 1.010 1538 R CA -0.673 55.444 56.100 0.028 0.000 0.896 1538 R CB 2.409 32.727 30.300 0.030 0.000 1.211 1538 R HN -0.010 nan 8.270 nan 0.000 0.456 1539 L N 2.219 123.417 121.223 -0.040 0.000 2.109 1539 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 1539 L C 1.983 178.796 176.870 -0.095 0.000 1.086 1539 L CA 2.301 57.090 54.840 -0.086 0.000 0.760 1539 L CB -0.464 41.537 42.059 -0.096 0.000 0.910 1539 L HN 0.828 nan 8.230 nan 0.000 0.437 1540 S N -1.570 114.095 115.700 -0.058 0.000 2.372 1540 S HA -0.292 4.178 4.470 -0.000 0.000 0.227 1540 S C 1.870 176.443 174.600 -0.044 0.000 1.044 1540 S CA 2.013 60.184 58.200 -0.047 0.000 1.050 1540 S CB -1.662 61.525 63.200 -0.023 0.000 0.901 1540 S HN 0.588 nan 8.310 nan 0.000 0.447 1541 T N 3.173 117.712 114.554 -0.024 0.000 2.595 1541 T HA -0.032 4.318 4.350 -0.000 0.000 0.264 1541 T C 1.815 176.504 174.700 -0.019 0.000 1.058 1541 T CA 1.721 63.817 62.100 -0.007 0.000 1.166 1541 T CB -0.731 68.147 68.868 0.018 0.000 0.863 1541 T HN 0.406 nan 8.240 nan 0.000 0.415 1542 I N 0.974 121.527 120.570 -0.028 0.000 2.145 1542 I HA -0.228 3.942 4.170 -0.000 0.000 0.244 1542 I C 2.549 178.626 176.117 -0.066 0.000 1.075 1542 I CA 1.154 62.441 61.300 -0.021 0.000 1.332 1542 I CB -0.626 37.363 38.000 -0.019 0.000 1.033 1542 I HN 0.099 nan 8.210 nan 0.000 0.410 1543 V N 0.779 120.599 119.914 -0.157 0.000 2.287 1543 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 1543 V C 1.905 177.974 176.094 -0.041 0.000 1.053 1543 V CA 2.236 64.454 62.300 -0.136 0.000 1.027 1543 V CB -0.723 31.019 31.823 -0.134 0.000 0.646 1543 V HN 0.455 nan 8.190 nan 0.000 0.447 1544 D N 0.351 120.732 120.400 -0.033 0.000 2.289 1544 D HA 0.123 4.763 4.640 -0.000 0.000 0.207 1544 D C 1.146 177.442 176.300 -0.006 0.000 0.966 1544 D CA 0.869 54.862 54.000 -0.013 0.000 0.868 1544 D CB -0.259 40.535 40.800 -0.009 0.000 0.943 1544 D HN 0.475 nan 8.370 nan 0.000 0.514 1545 A N 1.482 124.297 122.820 -0.008 0.000 2.561 1545 A HA -0.062 4.258 4.320 -0.000 0.000 0.234 1545 A C 0.936 178.510 177.584 -0.017 0.000 1.055 1545 A CA 0.263 52.294 52.037 -0.010 0.000 0.756 1545 A CB 0.285 19.277 19.000 -0.012 0.000 0.986 1545 A HN 0.012 nan 8.150 nan 0.000 0.505 1546 D N 0.320 120.707 120.400 -0.021 0.000 2.347 1546 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 1546 D C 0.289 176.554 176.300 -0.057 0.000 0.985 1546 D CA 1.056 55.041 54.000 -0.025 0.000 0.879 1546 D CB 0.271 41.067 40.800 -0.008 0.000 0.919 1546 D HN 0.577 nan 8.370 nan 0.000 0.526 1547 K N 0.903 121.246 120.400 -0.095 0.000 2.577 1547 K HA 0.165 4.485 4.320 -0.000 0.000 0.267 1547 K C -1.720 174.706 176.600 -0.291 0.000 0.979 1547 K CA -0.406 55.760 56.287 -0.201 0.000 0.942 1547 K CB 1.517 33.882 32.500 -0.224 0.000 1.343 1547 K HN -0.220 nan 8.250 nan 0.000 0.436 1548 I N 3.602 123.967 120.570 -0.342 0.000 2.488 1548 I HA 0.324 4.494 4.170 -0.000 0.000 0.299 1548 I C -0.605 175.218 176.117 -0.490 0.000 0.984 1548 I CA -0.715 60.401 61.300 -0.307 0.000 1.250 1548 I CB 1.089 38.971 38.000 -0.197 0.000 1.389 1548 I HN 0.614 nan 8.210 nan 0.000 0.488 1549 Y N 4.125 124.311 120.300 -0.190 0.000 2.332 1549 Y HA 0.292 4.842 4.550 -0.000 0.000 0.326 1549 Y C -0.366 175.581 175.900 0.080 0.000 0.978 1549 Y CA -0.645 57.399 58.100 -0.093 0.000 1.205 1549 Y CB 1.770 40.086 38.460 -0.240 0.000 1.131 1549 Y HN 0.361 nan 8.280 nan 0.000 0.462 1550 F N 5.790 125.781 119.950 0.068 0.000 2.413 1550 F HA 0.520 5.047 4.527 -0.000 0.000 0.359 1550 F C -0.632 175.219 175.800 0.085 0.000 1.122 1550 F CA -1.229 56.801 58.000 0.050 0.000 1.160 1550 F CB 0.117 39.110 39.000 -0.011 0.000 1.146 1550 F HN 0.301 nan 8.300 nan 0.000 0.514 1551 I N 5.640 125.976 120.570 -0.390 0.000 2.330 1551 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 1551 I C -0.604 175.121 176.117 -0.653 0.000 1.001 1551 I CA -0.406 60.675 61.300 -0.365 0.000 1.193 1551 I CB 1.450 39.369 38.000 -0.135 0.000 1.345 1551 I HN 0.523 nan 8.210 nan 0.000 0.461 1552 E N 6.676 126.569 120.200 -0.511 0.000 2.185 1552 E HA 0.309 4.659 4.350 -0.000 0.000 0.261 1552 E C -0.786 175.713 176.600 -0.169 0.000 0.879 1552 E CA -0.718 55.446 56.400 -0.394 0.000 0.756 1552 E CB 0.889 30.391 29.700 -0.330 0.000 1.152 1552 E HN 0.352 nan 8.360 nan 0.000 0.416 1553 K N 3.076 123.398 120.400 -0.130 0.000 3.490 1553 K HA -0.298 4.022 4.320 -0.000 0.000 0.273 1553 K C 0.601 177.174 176.600 -0.044 0.000 0.916 1553 K CA 0.703 56.950 56.287 -0.068 0.000 0.718 1553 K CB -1.520 30.957 32.500 -0.038 0.000 1.477 1553 K HN 1.055 nan 8.250 nan 0.000 0.452 1554 G N -0.568 108.204 108.800 -0.045 0.000 2.225 1554 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 1554 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 1554 G C 0.056 174.960 174.900 0.006 0.000 0.988 1554 G CA 0.792 45.887 45.100 -0.008 0.000 0.625 1554 G HN 0.465 nan 8.290 nan 0.000 0.527 1555 Q N -0.797 119.000 119.800 -0.006 0.000 2.445 1555 Q HA 0.780 5.120 4.340 -0.000 0.000 0.281 1555 Q C -0.097 175.923 176.000 0.032 0.000 1.101 1555 Q CA -0.921 54.896 55.803 0.024 0.000 0.833 1555 Q CB 1.964 30.720 28.738 0.031 0.000 1.416 1555 Q HN 0.335 nan 8.270 nan 0.000 0.451 1556 I N 0.411 121.031 120.570 0.084 0.000 2.385 1556 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 1556 I C 0.262 176.475 176.117 0.160 0.000 0.988 1556 I CA -0.041 61.346 61.300 0.146 0.000 1.265 1556 I CB 1.721 39.861 38.000 0.234 0.000 1.388 1556 I HN 0.732 nan 8.210 nan 0.000 0.480 1557 T N 2.471 117.170 114.554 0.241 0.000 2.975 1557 T HA 0.234 4.584 4.350 -0.000 0.000 0.261 1557 T C 0.453 175.339 174.700 0.311 0.000 0.984 1557 T CA -0.232 62.051 62.100 0.306 0.000 0.911 1557 T CB 0.757 69.940 68.868 0.525 0.000 1.127 1557 T HN 0.751 nan 8.240 nan 0.000 0.514 1558 G N 1.260 110.245 108.800 0.309 0.000 2.719 1558 G HA2 0.506 4.466 3.960 -0.000 0.000 0.298 1558 G HA3 0.506 4.466 3.960 -0.000 0.000 0.298 1558 G C -0.768 174.133 174.900 0.001 0.000 1.433 1558 G CA -0.644 44.536 45.100 0.135 0.000 1.034 1558 G HN 0.146 nan 8.290 nan 0.000 0.517 1559 S N 1.004 116.646 115.700 -0.096 0.000 2.279 1559 S HA 0.808 5.278 4.470 -0.000 0.000 0.176 1559 S C 0.151 174.599 174.600 -0.253 0.000 1.554 1559 S CA 0.027 58.077 58.200 -0.251 0.000 1.242 1559 S CB 0.862 64.002 63.200 -0.100 0.000 1.163 1559 S HN 1.811 nan 8.310 nan 0.000 0.449 1560 G N 2.053 110.670 108.800 -0.306 0.000 2.548 1560 G HA2 0.511 4.471 3.960 -0.000 0.000 0.301 1560 G HA3 0.511 4.471 3.960 -0.000 0.000 0.301 1560 G C -1.664 173.102 174.900 -0.224 0.000 1.349 1560 G CA -1.086 43.878 45.100 -0.227 0.000 0.792 1560 G HN 0.663 nan 8.290 nan 0.000 0.481 1561 K N -0.887 119.429 120.400 -0.141 0.000 2.118 1561 K HA 0.367 4.687 4.320 -0.000 0.000 0.264 1561 K C 0.970 177.542 176.600 -0.046 0.000 1.000 1561 K CA -0.367 55.874 56.287 -0.078 0.000 0.929 1561 K CB 1.768 34.249 32.500 -0.032 0.000 1.021 1561 K HN 0.627 nan 8.250 nan 0.000 0.463 1562 H N 2.192 121.230 119.070 -0.053 0.000 2.297 1562 H HA -0.297 4.259 4.556 -0.000 0.000 0.289 1562 H C 1.739 177.106 175.328 0.065 0.000 1.105 1562 H CA 3.147 59.229 56.048 0.058 0.000 1.219 1562 H CB -0.052 29.779 29.762 0.116 0.000 1.351 1562 H HN 0.936 nan 8.280 nan 0.000 0.481 1563 N N 0.230 118.959 118.700 0.047 0.000 2.309 1563 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 1563 N C 1.864 177.336 175.510 -0.063 0.000 1.018 1563 N CA 1.608 54.643 53.050 -0.024 0.000 0.876 1563 N CB -0.555 37.959 38.487 0.045 0.000 0.972 1563 N HN 0.720 nan 8.380 nan 0.000 0.434 1564 E N 0.502 120.662 120.200 -0.068 0.000 2.028 1564 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 1564 E C 1.919 178.452 176.600 -0.112 0.000 0.984 1564 E CA 0.600 56.953 56.400 -0.078 0.000 0.800 1564 E CB -0.030 29.621 29.700 -0.081 0.000 0.758 1564 E HN 0.312 nan 8.360 nan 0.000 0.448 1565 L N 0.557 121.666 121.223 -0.189 0.000 2.093 1565 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 1565 L C 2.548 179.357 176.870 -0.102 0.000 1.085 1565 L CA 0.596 55.276 54.840 -0.266 0.000 0.755 1565 L CB -0.249 41.374 42.059 -0.727 0.000 0.904 1565 L HN 0.145 nan 8.230 nan 0.000 0.435 1566 V N 0.159 120.024 119.914 -0.082 0.000 2.407 1566 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 1566 V C 2.550 178.627 176.094 -0.027 0.000 1.055 1566 V CA 1.834 64.109 62.300 -0.042 0.000 1.049 1566 V CB -0.495 31.174 31.823 -0.256 0.000 0.662 1566 V HN 0.489 nan 8.190 nan 0.000 0.455 1567 A N -1.520 121.277 122.820 -0.039 0.000 2.123 1567 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 1567 A C 2.113 179.692 177.584 -0.009 0.000 1.152 1567 A CA 1.531 53.554 52.037 -0.022 0.000 0.728 1567 A CB -0.197 18.787 19.000 -0.027 0.000 0.814 1567 A HN 0.483 nan 8.150 nan 0.000 0.464 1568 T N -1.427 113.124 114.554 -0.005 0.000 3.044 1568 T HA 0.158 4.508 4.350 -0.000 0.000 0.260 1568 T C -0.201 174.518 174.700 0.032 0.000 1.019 1568 T CA 0.143 62.239 62.100 -0.008 0.000 0.921 1568 T CB -0.010 68.834 68.868 -0.040 0.000 1.053 1568 T HN 0.434 nan 8.240 nan 0.000 0.533 1569 H N 1.066 120.106 119.070 -0.050 0.000 2.974 1569 H HA 0.332 4.888 4.556 -0.000 0.000 0.285 1569 H C -2.630 172.687 175.328 -0.019 0.000 1.227 1569 H CA -2.589 53.435 56.048 -0.040 0.000 1.569 1569 H CB 1.844 31.544 29.762 -0.104 0.000 1.648 1569 H HN -0.165 nan 8.280 nan 0.000 0.521 1570 P HA -0.105 nan 4.420 nan 0.000 0.218 1570 P C 1.472 178.815 177.300 0.072 0.000 1.146 1570 P CA 1.057 64.222 63.100 0.109 0.000 0.813 1570 P CB 0.413 32.174 31.700 0.101 0.000 0.778 1571 L N -3.397 117.892 121.223 0.110 0.000 2.209 1571 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 1571 L C 2.391 179.140 176.870 -0.202 0.000 1.094 1571 L CA 0.855 55.708 54.840 0.021 0.000 0.790 1571 L CB -0.713 41.456 42.059 0.183 0.000 0.932 1571 L HN -0.017 nan 8.230 nan 0.000 0.447 1572 Y N 1.033 120.851 120.300 -0.803 0.000 2.184 1572 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 1572 Y C 2.482 178.168 175.900 -0.357 0.000 1.129 1572 Y CA 1.195 58.697 58.100 -0.997 0.000 1.144 1572 Y CB -0.219 37.514 38.460 -1.213 0.000 0.995 1572 Y HN 0.061 nan 8.280 nan 0.000 0.513 1573 A N 0.381 123.014 122.820 -0.312 0.000 1.969 1573 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 1573 A C 2.297 179.759 177.584 -0.203 0.000 1.169 1573 A CA 1.721 53.592 52.037 -0.275 0.000 0.635 1573 A CB -0.698 18.232 19.000 -0.117 0.000 0.810 1573 A HN 0.526 nan 8.150 nan 0.000 0.445 1574 K N -1.729 118.597 120.400 -0.123 0.000 2.025 1574 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 1574 K C 1.936 178.499 176.600 -0.062 0.000 1.049 1574 K CA 1.539 57.792 56.287 -0.056 0.000 0.933 1574 K CB -0.393 32.114 32.500 0.012 0.000 0.714 1574 K HN 0.464 nan 8.250 nan 0.000 0.438 1575 Y N 1.333 121.550 120.300 -0.139 0.000 2.128 1575 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 1575 Y C 1.841 177.656 175.900 -0.142 0.000 1.154 1575 Y CA 1.625 59.677 58.100 -0.080 0.000 1.149 1575 Y CB -0.337 38.149 38.460 0.042 0.000 0.976 1575 Y HN -0.151 nan 8.280 nan 0.000 0.505 1576 V N -0.957 118.746 119.914 -0.350 0.000 2.626 1576 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 1576 V C 2.154 178.098 176.094 -0.250 0.000 1.067 1576 V CA 2.011 64.101 62.300 -0.349 0.000 1.081 1576 V CB -0.616 30.989 31.823 -0.362 0.000 0.686 1576 V HN 0.368 nan 8.190 nan 0.000 0.468 1577 S N -0.993 114.584 115.700 -0.204 0.000 2.501 1577 S HA 0.033 4.503 4.470 -0.000 0.000 0.220 1577 S C 1.667 176.187 174.600 -0.132 0.000 0.997 1577 S CA 0.492 58.611 58.200 -0.135 0.000 0.919 1577 S CB 0.201 63.344 63.200 -0.095 0.000 0.778 1577 S HN 0.712 nan 8.310 nan 0.000 0.523 1578 E N -0.055 120.041 120.200 -0.173 0.000 2.354 1578 E HA 0.123 4.473 4.350 -0.000 0.000 0.203 1578 E C 1.523 178.017 176.600 -0.177 0.000 0.841 1578 E CA 0.168 56.484 56.400 -0.141 0.000 1.046 1578 E CB 0.187 29.834 29.700 -0.090 0.000 1.040 1578 E HN 0.190 nan 8.360 nan 0.000 0.504 1579 Q N 0.106 119.714 119.800 -0.320 0.000 2.391 1579 Q HA 0.115 4.455 4.340 -0.000 0.000 0.211 1579 Q C 1.881 177.680 176.000 -0.334 0.000 0.908 1579 Q CA 0.422 56.022 55.803 -0.337 0.000 0.920 1579 Q CB 0.768 29.249 28.738 -0.427 0.000 1.056 1579 Q HN 0.185 nan 8.270 nan 0.000 0.523 1580 L N 0.386 121.361 121.223 -0.414 0.000 2.408 1580 L HA 0.204 4.544 4.340 -0.000 0.000 0.215 1580 L C 0.709 177.499 176.870 -0.133 0.000 1.081 1580 L CA 0.601 55.299 54.840 -0.236 0.000 0.840 1580 L CB 0.351 42.250 42.059 -0.266 0.000 1.002 1580 L HN -0.113 nan 8.230 nan 0.000 0.468 1581 T N 0.048 114.512 114.554 -0.149 0.000 2.903 1581 T HA 0.183 4.533 4.350 -0.000 0.000 0.314 1581 T C -0.254 174.407 174.700 -0.065 0.000 1.078 1581 T CA -0.028 62.012 62.100 -0.098 0.000 1.114 1581 T CB 0.901 69.707 68.868 -0.103 0.000 0.987 1581 T HN -0.060 nan 8.240 nan 0.000 0.548 1582 V N 2.599 122.484 119.914 -0.049 0.000 2.398 1582 V HA 0.791 4.911 4.120 -0.000 0.000 0.286 1582 V C 0.722 176.797 176.094 -0.031 0.000 1.026 1582 V CA 0.190 62.469 62.300 -0.035 0.000 0.868 1582 V CB 0.643 32.449 31.823 -0.028 0.000 0.982 1582 V HN 1.273 nan 8.190 nan 0.000 0.443 1583 G N 0.000 108.784 108.800 -0.027 0.000 5.446 1583 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1583 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1583 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 1583 G HN 0.000 nan 8.290 nan 0.000 0.925