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 2x0c_1_A DATA FIRST_RESID 1352 DATA SEQUENCE IDPFTKHGQK ECDNALRQLE TVRELLENPV QPINDMSYFG CLDSVMENSK DATA SEQUENCE VLGEAMTGIS QNAKNGNLPE FGDAIATASK ALCGFTEAAA QAAYLVGVSD DATA SEQUENCE PNSQAGQQGL VEPTQFARAN QAIQMACQSL GEPGCTQAQV LSAATIVAKH DATA SEQUENCE TSALCNSCRL ASARTANPTA KRQFVQSAKE VANSTANLVK TIKALDGDFT DATA SEQUENCE EENRAQCRAA TAPLLEAVDN LSAFASNPEF SSVPAQISPE GRAAMEPIVI DATA SEQUENCE SAKTMLESAG GLIQTARALA VNPRDPPRWS VLAGHSRTVS DSIKKLITSM DATA SEQUENCE RDKAPGQL 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 1352 I HA 0.000 nan 4.170 nan 0.000 0.288 1352 I C 0.000 176.136 176.117 0.031 0.000 1.063 1352 I CA 0.000 61.314 61.300 0.023 0.000 1.566 1352 I CB 0.000 38.011 38.000 0.019 0.000 1.214 1353 D N 5.373 125.806 120.400 0.055 0.000 2.339 1353 D HA 0.403 5.043 4.640 0.000 0.000 0.245 1353 D C -1.870 174.466 176.300 0.060 0.000 1.115 1353 D CA -1.431 52.619 54.000 0.082 0.000 0.917 1353 D CB 1.122 42.004 40.800 0.138 0.000 1.192 1353 D HN 0.401 nan 8.370 nan 0.000 0.428 1354 P HA -0.067 nan 4.420 nan 0.000 0.229 1354 P C 0.812 177.981 177.300 -0.218 0.000 1.160 1354 P CA 0.757 63.767 63.100 -0.150 0.000 0.777 1354 P CB -0.022 31.496 31.700 -0.303 0.000 0.814 1355 F N 1.046 121.031 119.950 0.058 0.000 2.234 1355 F HA -0.091 4.436 4.527 0.000 0.000 0.296 1355 F C 2.681 178.547 175.800 0.109 0.000 1.089 1355 F CA 1.911 59.962 58.000 0.084 0.000 1.343 1355 F CB -1.648 37.383 39.000 0.051 0.000 1.040 1355 F HN -0.024 nan 8.300 nan 0.000 0.498 1356 T N -1.781 112.910 114.554 0.230 0.000 2.857 1356 T HA -0.131 4.220 4.350 0.000 0.000 0.266 1356 T C 1.886 176.648 174.700 0.104 0.000 1.048 1356 T CA 1.025 63.210 62.100 0.141 0.000 1.139 1356 T CB -0.368 68.549 68.868 0.083 0.000 0.874 1356 T HN 0.184 nan 8.240 nan 0.000 0.455 1357 K N 0.153 120.599 120.400 0.077 0.000 2.026 1357 K HA -0.161 4.159 4.320 0.000 0.000 0.208 1357 K C 2.470 179.103 176.600 0.055 0.000 1.048 1357 K CA 1.539 57.853 56.287 0.046 0.000 0.929 1357 K CB -0.480 32.032 32.500 0.021 0.000 0.713 1357 K HN 0.527 nan 8.250 nan 0.000 0.439 1358 H N 0.274 119.339 119.070 -0.008 0.000 2.319 1358 H HA -0.112 4.444 4.556 0.000 0.000 0.299 1358 H C 2.067 177.433 175.328 0.064 0.000 1.092 1358 H CA 1.896 57.944 56.048 -0.000 0.000 1.302 1358 H CB -0.070 29.668 29.762 -0.039 0.000 1.373 1358 H HN 0.301 nan 8.280 nan 0.000 0.497 1359 G N 0.227 109.118 108.800 0.151 0.000 2.440 1359 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 1359 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 1359 G C 1.669 176.665 174.900 0.160 0.000 1.154 1359 G CA 0.710 45.941 45.100 0.219 0.000 0.767 1359 G HN 0.478 nan 8.290 nan 0.000 0.552 1360 Q N -0.250 119.610 119.800 0.099 0.000 2.172 1360 Q HA -0.013 4.327 4.340 0.000 0.000 0.200 1360 Q C 2.464 178.460 176.000 -0.006 0.000 0.964 1360 Q CA 1.113 56.955 55.803 0.065 0.000 0.855 1360 Q CB -0.095 28.667 28.738 0.039 0.000 0.918 1360 Q HN 0.527 nan 8.270 nan 0.000 0.444 1361 K N 0.973 121.335 120.400 -0.063 0.000 2.057 1361 K HA -0.165 4.155 4.320 0.000 0.000 0.206 1361 K C 1.813 178.327 176.600 -0.143 0.000 1.050 1361 K CA 1.014 57.236 56.287 -0.107 0.000 0.935 1361 K CB 0.205 32.619 32.500 -0.142 0.000 0.715 1361 K HN 0.080 nan 8.250 nan 0.000 0.439 1362 E N 0.489 120.563 120.200 -0.210 0.000 2.097 1362 E HA -0.242 4.108 4.350 0.000 0.000 0.196 1362 E C 2.197 178.723 176.600 -0.123 0.000 1.000 1362 E CA 1.502 57.793 56.400 -0.183 0.000 0.804 1362 E CB -0.462 29.120 29.700 -0.196 0.000 0.740 1362 E HN 0.447 nan 8.360 nan 0.000 0.454 1363 C N 1.214 120.467 119.300 -0.078 0.000 2.446 1363 C HA -0.099 4.361 4.460 0.000 0.000 0.277 1363 C C 2.289 177.248 174.990 -0.053 0.000 1.275 1363 C CA 0.471 59.454 59.018 -0.058 0.000 1.727 1363 C CB -0.789 26.964 27.740 0.021 0.000 2.010 1363 C HN 0.397 nan 8.230 nan 0.000 0.486 1364 D N 1.140 121.513 120.400 -0.045 0.000 2.117 1364 D HA -0.096 4.544 4.640 0.000 0.000 0.197 1364 D C 1.859 178.129 176.300 -0.049 0.000 0.987 1364 D CA 1.152 55.127 54.000 -0.042 0.000 0.829 1364 D CB -0.654 40.124 40.800 -0.036 0.000 0.961 1364 D HN 0.434 nan 8.370 nan 0.000 0.460 1365 N N 0.959 119.623 118.700 -0.060 0.000 2.069 1365 N HA -0.129 4.612 4.740 0.000 0.000 0.191 1365 N C 1.772 177.249 175.510 -0.056 0.000 1.031 1365 N CA 1.384 54.400 53.050 -0.057 0.000 0.852 1365 N CB -0.499 37.948 38.487 -0.066 0.000 1.018 1365 N HN 0.144 nan 8.380 nan 0.000 0.423 1366 A N 1.194 123.973 122.820 -0.068 0.000 1.883 1366 A HA -0.092 4.228 4.320 0.000 0.000 0.217 1366 A C 2.394 179.943 177.584 -0.057 0.000 1.186 1366 A CA 1.132 53.128 52.037 -0.068 0.000 0.624 1366 A CB -0.861 18.086 19.000 -0.088 0.000 0.822 1366 A HN 0.240 nan 8.150 nan 0.000 0.444 1367 L N -1.582 119.608 121.223 -0.056 0.000 2.083 1367 L HA -0.163 4.177 4.340 0.000 0.000 0.209 1367 L C 2.767 179.612 176.870 -0.042 0.000 1.083 1367 L CA 1.617 56.426 54.840 -0.051 0.000 0.752 1367 L CB -0.409 41.621 42.059 -0.049 0.000 0.899 1367 L HN 0.316 nan 8.230 nan 0.000 0.433 1368 R N -0.030 120.447 120.500 -0.038 0.000 2.073 1368 R HA -0.188 4.152 4.340 0.000 0.000 0.234 1368 R C 2.397 178.680 176.300 -0.029 0.000 1.134 1368 R CA 1.551 57.633 56.100 -0.030 0.000 0.952 1368 R CB -0.209 30.074 30.300 -0.029 0.000 0.850 1368 R HN 0.360 nan 8.270 nan 0.000 0.433 1369 Q N -0.224 119.557 119.800 -0.031 0.000 2.096 1369 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 1369 Q C 2.095 178.080 176.000 -0.025 0.000 0.982 1369 Q CA 1.714 57.500 55.803 -0.027 0.000 0.850 1369 Q CB -0.154 28.565 28.738 -0.031 0.000 0.901 1369 Q HN 0.369 nan 8.270 nan 0.000 0.422 1370 L N 0.274 121.478 121.223 -0.032 0.000 2.056 1370 L HA -0.178 4.162 4.340 0.000 0.000 0.207 1370 L C 2.137 178.993 176.870 -0.025 0.000 1.078 1370 L CA 1.165 55.986 54.840 -0.031 0.000 0.749 1370 L CB -0.483 41.549 42.059 -0.044 0.000 0.901 1370 L HN 0.267 nan 8.230 nan 0.000 0.433 1371 E N -0.177 120.007 120.200 -0.026 0.000 2.085 1371 E HA -0.189 4.161 4.350 0.000 0.000 0.194 1371 E C 2.112 178.703 176.600 -0.015 0.000 0.994 1371 E CA 1.875 58.262 56.400 -0.021 0.000 0.801 1371 E CB -0.141 29.546 29.700 -0.021 0.000 0.743 1371 E HN 0.434 nan 8.360 nan 0.000 0.453 1372 T N 0.568 115.113 114.554 -0.015 0.000 2.737 1372 T HA -0.124 4.226 4.350 0.000 0.000 0.265 1372 T C 2.004 176.699 174.700 -0.009 0.000 1.038 1372 T CA 0.953 63.046 62.100 -0.012 0.000 1.144 1372 T CB -0.254 68.606 68.868 -0.013 0.000 0.866 1372 T HN 0.011 nan 8.240 nan 0.000 0.434 1373 V N 1.565 121.475 119.914 -0.008 0.000 2.667 1373 V HA -0.042 4.079 4.120 0.000 0.000 0.252 1373 V C 2.619 178.715 176.094 0.004 0.000 1.065 1373 V CA 1.363 63.663 62.300 -0.001 0.000 1.083 1373 V CB -0.533 31.292 31.823 0.004 0.000 0.692 1373 V HN 0.331 nan 8.190 nan 0.000 0.468 1374 R N 0.025 120.525 120.500 0.000 0.000 2.159 1374 R HA -0.202 4.138 4.340 0.000 0.000 0.237 1374 R C 2.040 178.344 176.300 0.006 0.000 1.131 1374 R CA 1.981 58.084 56.100 0.004 0.000 0.982 1374 R CB -0.203 30.095 30.300 -0.003 0.000 0.868 1374 R HN 0.683 nan 8.270 nan 0.000 0.453 1375 E N 0.515 120.716 120.200 0.002 0.000 2.171 1375 E HA -0.210 4.140 4.350 0.000 0.000 0.197 1375 E C 1.982 178.585 176.600 0.004 0.000 0.997 1375 E CA 1.228 57.629 56.400 0.002 0.000 0.810 1375 E CB -0.175 29.523 29.700 -0.002 0.000 0.738 1375 E HN 0.378 nan 8.360 nan 0.000 0.467 1376 L N 0.377 121.602 121.223 0.003 0.000 2.187 1376 L HA -0.191 4.149 4.340 0.000 0.000 0.213 1376 L C 2.055 178.934 176.870 0.014 0.000 1.100 1376 L CA 0.847 55.689 54.840 0.003 0.000 0.765 1376 L CB -0.308 41.752 42.059 0.001 0.000 0.904 1376 L HN 0.206 nan 8.230 nan 0.000 0.437 1377 L N -1.195 120.041 121.223 0.020 0.000 2.592 1377 L HA 0.008 4.348 4.340 0.000 0.000 0.227 1377 L C 2.261 179.148 176.870 0.027 0.000 1.127 1377 L CA -0.135 54.722 54.840 0.029 0.000 0.884 1377 L CB -0.172 41.907 42.059 0.033 0.000 1.065 1377 L HN 0.131 nan 8.230 nan 0.000 0.457 1378 E N 0.441 120.653 120.200 0.020 0.000 2.046 1378 E HA -0.083 4.267 4.350 0.000 0.000 0.190 1378 E C 0.541 177.155 176.600 0.024 0.000 0.982 1378 E CA 0.961 57.373 56.400 0.019 0.000 0.800 1378 E CB -0.076 29.632 29.700 0.013 0.000 0.756 1378 E HN 0.190 nan 8.360 nan 0.000 0.449 1379 N N 0.294 119.010 118.700 0.028 0.000 2.725 1379 N HA 0.187 4.927 4.740 0.000 0.000 0.248 1379 N C -2.916 172.627 175.510 0.055 0.000 1.402 1379 N CA -1.545 51.528 53.050 0.037 0.000 0.766 1379 N CB 1.021 39.526 38.487 0.030 0.000 1.223 1379 N HN -0.226 nan 8.380 nan 0.000 0.515 1380 P HA 0.128 nan 4.420 nan 0.000 0.276 1380 P C 0.482 177.892 177.300 0.183 0.000 1.253 1380 P CA -0.252 62.912 63.100 0.108 0.000 0.766 1380 P CB 1.016 32.803 31.700 0.146 0.000 0.845 1381 V N -0.072 119.929 119.914 0.145 0.000 3.252 1381 V HA 0.350 4.470 4.120 0.000 0.000 0.320 1381 V C -0.117 176.070 176.094 0.155 0.000 1.459 1381 V CA 0.098 62.516 62.300 0.196 0.000 1.095 1381 V CB -0.167 31.717 31.823 0.102 0.000 0.997 1381 V HN 0.294 nan 8.190 nan 0.000 0.469 1382 Q N 1.109 120.824 119.800 -0.142 0.000 2.418 1382 Q HA 0.519 4.859 4.340 0.000 0.000 0.282 1382 Q C -3.151 172.189 176.000 -1.100 0.000 1.044 1382 Q CA -1.560 53.940 55.803 -0.504 0.000 0.813 1382 Q CB 2.892 31.494 28.738 -0.227 0.000 1.428 1382 Q HN 0.129 nan 8.270 nan 0.000 0.402 1383 P HA 0.157 nan 4.420 nan 0.000 0.269 1383 P C 0.310 177.381 177.300 -0.382 0.000 1.215 1383 P CA -0.115 62.496 63.100 -0.816 0.000 0.780 1383 P CB 0.810 32.281 31.700 -0.382 0.000 0.898 1384 I N 0.584 121.014 120.570 -0.232 0.000 2.867 1384 I HA -0.001 4.169 4.170 0.000 0.000 0.265 1384 I C 1.207 177.265 176.117 -0.099 0.000 1.162 1384 I CA 1.407 62.627 61.300 -0.133 0.000 1.471 1384 I CB -0.496 37.456 38.000 -0.081 0.000 1.123 1384 I HN 0.533 nan 8.210 nan 0.000 0.440 1385 N N -2.339 116.309 118.700 -0.088 0.000 3.588 1385 N HA 0.142 4.882 4.740 0.000 0.000 0.340 1385 N C -0.566 174.917 175.510 -0.045 0.000 1.609 1385 N CA -0.550 52.465 53.050 -0.059 0.000 0.811 1385 N CB 0.191 38.650 38.487 -0.046 0.000 2.184 1385 N HN -0.197 nan 8.380 nan 0.000 0.577 1386 D N -0.664 119.719 120.400 -0.028 0.000 2.462 1386 D HA 0.233 4.873 4.640 0.000 0.000 0.221 1386 D C -0.172 176.130 176.300 0.003 0.000 1.173 1386 D CA 0.041 54.035 54.000 -0.010 0.000 0.831 1386 D CB 0.315 41.109 40.800 -0.010 0.000 1.001 1386 D HN 0.353 nan 8.370 nan 0.000 0.499 1387 M N 1.163 120.761 119.600 -0.004 0.000 2.248 1387 M HA 0.012 4.492 4.480 0.000 0.000 0.337 1387 M C 1.180 177.497 176.300 0.030 0.000 1.121 1387 M CA 0.105 55.406 55.300 0.002 0.000 1.155 1387 M CB 1.103 33.685 32.600 -0.030 0.000 1.514 1387 M HN -0.095 nan 8.290 nan 0.000 0.452 1388 S N 1.946 117.677 115.700 0.051 0.000 2.634 1388 S HA 0.053 4.523 4.470 0.000 0.000 0.261 1388 S C 0.769 175.421 174.600 0.087 0.000 1.271 1388 S CA -0.499 57.760 58.200 0.099 0.000 0.985 1388 S CB 0.375 63.657 63.200 0.136 0.000 0.968 1388 S HN 0.740 nan 8.310 nan 0.000 0.568 1389 Y N 0.674 120.979 120.300 0.008 0.000 2.165 1389 Y HA -0.105 4.445 4.550 -0.000 0.000 0.286 1389 Y C 1.719 177.510 175.900 -0.182 0.000 1.155 1389 Y CA 1.710 59.745 58.100 -0.107 0.000 1.164 1389 Y CB -0.505 37.849 38.460 -0.177 0.000 0.978 1389 Y HN 0.688 nan 8.280 nan 0.000 0.513 1390 F N -0.387 119.617 119.950 0.090 0.000 2.259 1390 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 1390 F C 2.561 178.323 175.800 -0.064 0.000 1.088 1390 F CA 1.343 59.355 58.000 0.020 0.000 1.358 1390 F CB -1.001 38.039 39.000 0.067 0.000 1.040 1390 F HN 0.096 nan 8.300 nan 0.000 0.505 1391 G N -0.829 108.026 108.800 0.091 0.000 2.440 1391 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 1391 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 1391 G C 1.716 176.565 174.900 -0.084 0.000 1.154 1391 G CA 1.292 46.401 45.100 0.014 0.000 0.767 1391 G HN 0.424 nan 8.290 nan 0.000 0.552 1392 C N -0.300 118.889 119.300 -0.184 0.000 2.446 1392 C HA 0.047 4.507 4.460 0.000 0.000 0.277 1392 C C 2.673 177.466 174.990 -0.329 0.000 1.275 1392 C CA 0.656 59.505 59.018 -0.281 0.000 1.727 1392 C CB -0.972 26.531 27.740 -0.395 0.000 2.010 1392 C HN 0.435 nan 8.230 nan 0.000 0.486 1393 L N 1.538 122.528 121.223 -0.388 0.000 2.017 1393 L HA -0.103 4.237 4.340 0.000 0.000 0.208 1393 L C 2.009 178.793 176.870 -0.143 0.000 1.073 1393 L CA 2.065 56.721 54.840 -0.307 0.000 0.745 1393 L CB -1.115 40.753 42.059 -0.318 0.000 0.894 1393 L HN 0.248 nan 8.230 nan 0.000 0.432 1394 D N -1.047 119.318 120.400 -0.059 0.000 2.133 1394 D HA -0.208 4.432 4.640 0.000 0.000 0.195 1394 D C 2.372 178.641 176.300 -0.052 0.000 0.997 1394 D CA 1.595 55.586 54.000 -0.015 0.000 0.840 1394 D CB -0.191 40.619 40.800 0.018 0.000 0.947 1394 D HN 0.412 nan 8.370 nan 0.000 0.452 1395 S N -0.532 115.113 115.700 -0.091 0.000 2.383 1395 S HA -0.086 4.384 4.470 0.000 0.000 0.227 1395 S C 2.110 176.628 174.600 -0.136 0.000 1.026 1395 S CA 0.595 58.738 58.200 -0.095 0.000 0.981 1395 S CB -0.168 62.969 63.200 -0.105 0.000 0.818 1395 S HN 0.028 nan 8.310 nan 0.000 0.472 1396 V N 2.551 122.314 119.914 -0.252 0.000 2.295 1396 V HA -0.174 3.946 4.120 0.000 0.000 0.246 1396 V C 2.582 178.608 176.094 -0.112 0.000 1.049 1396 V CA 1.760 63.820 62.300 -0.400 0.000 1.024 1396 V CB -0.549 30.930 31.823 -0.574 0.000 0.648 1396 V HN 0.481 nan 8.190 nan 0.000 0.447 1397 M N -0.387 119.173 119.600 -0.066 0.000 2.080 1397 M HA -0.201 4.279 4.480 0.000 0.000 0.260 1397 M C 2.155 178.474 176.300 0.031 0.000 1.068 1397 M CA 1.846 57.151 55.300 0.007 0.000 1.109 1397 M CB -1.382 31.223 32.600 0.009 0.000 1.342 1397 M HN 0.508 nan 8.290 nan 0.000 0.405 1398 E N 0.235 120.444 120.200 0.014 0.000 2.051 1398 E HA -0.188 4.162 4.350 0.000 0.000 0.192 1398 E C 1.793 178.422 176.600 0.049 0.000 0.991 1398 E CA 1.125 57.540 56.400 0.025 0.000 0.799 1398 E CB 0.064 29.770 29.700 0.010 0.000 0.748 1398 E HN 0.470 nan 8.360 nan 0.000 0.449 1399 N N 0.429 119.169 118.700 0.067 0.000 2.223 1399 N HA -0.153 4.587 4.740 0.000 0.000 0.185 1399 N C 2.054 177.667 175.510 0.171 0.000 1.016 1399 N CA 1.511 54.637 53.050 0.127 0.000 0.863 1399 N CB -0.240 38.354 38.487 0.179 0.000 0.983 1399 N HN 0.253 nan 8.380 nan 0.000 0.429 1400 S N 0.909 116.734 115.700 0.208 0.000 2.406 1400 S HA -0.017 4.453 4.470 0.000 0.000 0.228 1400 S C 1.735 176.385 174.600 0.084 0.000 1.020 1400 S CA 0.606 58.910 58.200 0.173 0.000 0.965 1400 S CB -0.032 63.302 63.200 0.223 0.000 0.798 1400 S HN 0.229 nan 8.310 nan 0.000 0.488 1401 K N 0.914 121.355 120.400 0.069 0.000 2.057 1401 K HA 0.052 4.372 4.320 0.000 0.000 0.206 1401 K C 2.133 178.754 176.600 0.036 0.000 1.050 1401 K CA 1.312 57.626 56.287 0.044 0.000 0.935 1401 K CB -0.605 31.917 32.500 0.036 0.000 0.715 1401 K HN 0.231 nan 8.250 nan 0.000 0.439 1402 V N 1.853 121.790 119.914 0.038 0.000 2.295 1402 V HA -0.240 3.880 4.120 0.000 0.000 0.246 1402 V C 2.221 178.327 176.094 0.020 0.000 1.049 1402 V CA 1.522 63.838 62.300 0.027 0.000 1.024 1402 V CB -0.411 31.429 31.823 0.029 0.000 0.648 1402 V HN 0.248 nan 8.190 nan 0.000 0.447 1403 L N 1.272 122.509 121.223 0.023 0.000 2.017 1403 L HA -0.048 4.292 4.340 0.000 0.000 0.208 1403 L C 2.368 179.238 176.870 -0.000 0.000 1.073 1403 L CA 2.505 57.345 54.840 0.001 0.000 0.745 1403 L CB -1.304 40.741 42.059 -0.023 0.000 0.894 1403 L HN 0.277 nan 8.230 nan 0.000 0.432 1404 G N -1.252 107.554 108.800 0.010 0.000 2.442 1404 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 1404 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 1404 G C 1.451 176.360 174.900 0.016 0.000 1.141 1404 G CA 0.685 45.793 45.100 0.012 0.000 0.763 1404 G HN 0.420 nan 8.290 nan 0.000 0.554 1405 E N 0.837 121.047 120.200 0.017 0.000 2.072 1405 E HA -0.012 4.338 4.350 0.000 0.000 0.190 1405 E C 2.967 179.577 176.600 0.017 0.000 0.982 1405 E CA 0.973 57.384 56.400 0.018 0.000 0.803 1405 E CB -0.599 29.111 29.700 0.017 0.000 0.755 1405 E HN 0.342 nan 8.360 nan 0.000 0.453 1406 A N 0.995 123.820 122.820 0.009 0.000 1.933 1406 A HA -0.169 4.151 4.320 0.000 0.000 0.218 1406 A C 2.287 179.875 177.584 0.008 0.000 1.175 1406 A CA 1.619 53.655 52.037 -0.001 0.000 0.628 1406 A CB -0.512 18.477 19.000 -0.018 0.000 0.814 1406 A HN 0.170 nan 8.150 nan 0.000 0.444 1407 M N -0.888 118.720 119.600 0.013 0.000 2.117 1407 M HA -0.125 4.355 4.480 0.000 0.000 0.262 1407 M C 2.233 178.571 176.300 0.063 0.000 1.065 1407 M CA 1.937 57.257 55.300 0.033 0.000 1.114 1407 M CB -0.590 32.025 32.600 0.025 0.000 1.361 1407 M HN 0.434 nan 8.290 nan 0.000 0.408 1408 T N 0.081 114.665 114.554 0.050 0.000 2.720 1408 T HA -0.117 4.233 4.350 0.000 0.000 0.268 1408 T C 1.787 176.532 174.700 0.075 0.000 1.037 1408 T CA 1.647 63.780 62.100 0.056 0.000 1.144 1408 T CB -0.796 68.094 68.868 0.036 0.000 0.864 1408 T HN 0.644 nan 8.240 nan 0.000 0.444 1409 G N 0.811 109.651 108.800 0.065 0.000 2.422 1409 G HA2 -0.083 3.877 3.960 0.000 0.000 0.218 1409 G HA3 -0.083 3.877 3.960 0.000 0.000 0.218 1409 G C 1.536 176.517 174.900 0.135 0.000 1.140 1409 G CA 0.282 45.430 45.100 0.080 0.000 0.775 1409 G HN 0.471 nan 8.290 nan 0.000 0.545 1410 I N 0.720 121.363 120.570 0.123 0.000 2.202 1410 I HA -0.152 4.018 4.170 0.000 0.000 0.242 1410 I C 2.992 179.327 176.117 0.363 0.000 1.091 1410 I CA 1.099 62.519 61.300 0.201 0.000 1.368 1410 I CB -0.134 37.927 38.000 0.102 0.000 1.058 1410 I HN 0.093 nan 8.210 nan 0.000 0.410 1411 S N -0.142 115.738 115.700 0.300 0.000 2.368 1411 S HA -0.182 4.288 4.470 0.000 0.000 0.224 1411 S C 1.946 176.735 174.600 0.314 0.000 1.029 1411 S CA 1.122 59.575 58.200 0.421 0.000 0.988 1411 S CB -0.164 63.236 63.200 0.334 0.000 0.838 1411 S HN 0.418 nan 8.310 nan 0.000 0.462 1412 Q N 0.923 120.832 119.800 0.182 0.000 2.050 1412 Q HA -0.041 4.299 4.340 0.000 0.000 0.202 1412 Q C 1.786 177.872 176.000 0.143 0.000 0.980 1412 Q CA 1.043 56.910 55.803 0.107 0.000 0.840 1412 Q CB -0.193 28.587 28.738 0.070 0.000 0.898 1412 Q HN 0.462 nan 8.270 nan 0.000 0.424 1413 N N 0.163 118.983 118.700 0.200 0.000 2.300 1413 N HA -0.048 4.692 4.740 0.000 0.000 0.179 1413 N C 1.595 177.207 175.510 0.171 0.000 1.016 1413 N CA 0.992 54.162 53.050 0.201 0.000 0.876 1413 N CB -0.010 38.638 38.487 0.269 0.000 0.979 1413 N HN 0.175 nan 8.380 nan 0.000 0.432 1414 A N 1.676 124.628 122.820 0.221 0.000 1.898 1414 A HA -0.142 4.178 4.320 0.000 0.000 0.216 1414 A C 2.197 179.870 177.584 0.149 0.000 1.181 1414 A CA 1.285 53.301 52.037 -0.035 0.000 0.620 1414 A CB -0.392 18.588 19.000 -0.032 0.000 0.819 1414 A HN 0.240 nan 8.150 nan 0.000 0.442 1415 K N -0.353 120.236 120.400 0.315 0.000 2.057 1415 K HA -0.140 4.180 4.320 0.000 0.000 0.207 1415 K C 1.004 177.666 176.600 0.103 0.000 1.049 1415 K CA 1.613 58.049 56.287 0.248 0.000 0.931 1415 K CB -0.157 32.362 32.500 0.033 0.000 0.714 1415 K HN 0.432 nan 8.250 nan 0.000 0.440 1416 N N -0.437 118.305 118.700 0.071 0.000 2.336 1416 N HA 0.029 4.769 4.740 0.000 0.000 0.189 1416 N C 0.530 176.055 175.510 0.026 0.000 1.113 1416 N CA 0.974 54.046 53.050 0.036 0.000 0.858 1416 N CB 1.118 39.623 38.487 0.029 0.000 0.970 1416 N HN 0.471 nan 8.380 nan 0.000 0.471 1417 G N 1.398 110.212 108.800 0.022 0.000 2.137 1417 G HA2 -0.229 3.731 3.960 0.000 0.000 0.237 1417 G HA3 -0.229 3.731 3.960 0.000 0.000 0.237 1417 G C -0.321 174.582 174.900 0.006 0.000 1.002 1417 G CA -0.415 44.682 45.100 -0.005 0.000 0.702 1417 G HN 0.238 nan 8.290 nan 0.000 0.515 1418 N N 0.825 119.549 118.700 0.040 0.000 2.602 1418 N HA 0.378 5.118 4.740 0.000 0.000 0.238 1418 N C 1.747 177.330 175.510 0.122 0.000 1.084 1418 N CA -0.215 52.872 53.050 0.062 0.000 0.952 1418 N CB 0.872 39.406 38.487 0.078 0.000 1.244 1418 N HN 0.313 nan 8.380 nan 0.000 0.512 1419 L N 1.849 123.140 121.223 0.114 0.000 2.056 1419 L HA -0.042 4.298 4.340 0.000 0.000 0.207 1419 L C -0.517 176.529 176.870 0.293 0.000 1.078 1419 L CA 1.240 56.207 54.840 0.212 0.000 0.749 1419 L CB -1.212 40.966 42.059 0.198 0.000 0.901 1419 L HN 0.230 nan 8.230 nan 0.000 0.433 1420 P HA -0.154 nan 4.420 nan 0.000 0.215 1420 P C 1.154 178.561 177.300 0.177 0.000 1.153 1420 P CA 1.238 64.466 63.100 0.213 0.000 0.853 1420 P CB 0.129 31.918 31.700 0.149 0.000 0.788 1421 E N -1.608 118.685 120.200 0.156 0.000 2.107 1421 E HA -0.108 4.242 4.350 0.000 0.000 0.191 1421 E C 1.682 178.376 176.600 0.157 0.000 0.982 1421 E CA 0.587 57.063 56.400 0.127 0.000 0.809 1421 E CB -1.115 28.651 29.700 0.109 0.000 0.756 1421 E HN 0.182 nan 8.360 nan 0.000 0.459 1422 F N 1.062 121.053 119.950 0.068 0.000 2.091 1422 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 1422 F C 2.110 177.944 175.800 0.057 0.000 1.103 1422 F CA 2.074 60.112 58.000 0.064 0.000 1.228 1422 F CB -0.704 38.336 39.000 0.068 0.000 0.984 1422 F HN 0.062 nan 8.300 nan 0.000 0.477 1423 G N -0.565 108.265 108.800 0.050 0.000 2.422 1423 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 1423 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 1423 G C 1.303 176.140 174.900 -0.105 0.000 1.140 1423 G CA 0.920 45.958 45.100 -0.104 0.000 0.775 1423 G HN 0.352 nan 8.290 nan 0.000 0.545 1424 D N 1.029 121.421 120.400 -0.014 0.000 2.117 1424 D HA -0.024 4.616 4.640 0.000 0.000 0.197 1424 D C 2.769 179.031 176.300 -0.063 0.000 0.987 1424 D CA 1.230 55.221 54.000 -0.015 0.000 0.829 1424 D CB -0.332 40.484 40.800 0.026 0.000 0.961 1424 D HN 0.309 nan 8.370 nan 0.000 0.460 1425 A N 0.622 123.386 122.820 -0.093 0.000 1.968 1425 A HA -0.083 4.237 4.320 0.000 0.000 0.217 1425 A C 2.175 179.659 177.584 -0.166 0.000 1.169 1425 A CA 0.547 52.527 52.037 -0.095 0.000 0.638 1425 A CB -0.340 18.623 19.000 -0.062 0.000 0.812 1425 A HN 0.108 nan 8.150 nan 0.000 0.446 1426 I N 0.049 120.434 120.570 -0.307 0.000 2.179 1426 I HA -0.235 3.935 4.170 0.000 0.000 0.242 1426 I C 2.942 178.954 176.117 -0.176 0.000 1.088 1426 I CA 1.498 62.614 61.300 -0.308 0.000 1.357 1426 I CB -1.450 36.256 38.000 -0.491 0.000 1.051 1426 I HN 0.370 nan 8.210 nan 0.000 0.409 1427 A N 0.412 123.146 122.820 -0.144 0.000 1.933 1427 A HA -0.194 4.126 4.320 0.000 0.000 0.218 1427 A C 2.413 179.961 177.584 -0.061 0.000 1.175 1427 A CA 2.384 54.369 52.037 -0.086 0.000 0.628 1427 A CB -1.018 17.948 19.000 -0.057 0.000 0.814 1427 A HN 0.413 nan 8.150 nan 0.000 0.444 1428 T N 0.262 114.782 114.554 -0.056 0.000 2.737 1428 T HA 0.001 4.351 4.350 0.000 0.000 0.265 1428 T C 2.264 176.943 174.700 -0.035 0.000 1.038 1428 T CA 1.555 63.635 62.100 -0.034 0.000 1.144 1428 T CB -0.495 68.358 68.868 -0.024 0.000 0.866 1428 T HN 0.605 nan 8.240 nan 0.000 0.434 1429 A N 1.148 123.936 122.820 -0.054 0.000 1.883 1429 A HA -0.144 4.176 4.320 0.000 0.000 0.217 1429 A C 2.579 180.133 177.584 -0.050 0.000 1.186 1429 A CA 2.262 54.267 52.037 -0.053 0.000 0.624 1429 A CB -1.214 17.743 19.000 -0.071 0.000 0.822 1429 A HN 0.448 nan 8.150 nan 0.000 0.444 1430 S N -0.625 115.039 115.700 -0.059 0.000 2.370 1430 S HA -0.226 4.244 4.470 0.000 0.000 0.226 1430 S C 2.119 176.703 174.600 -0.026 0.000 1.033 1430 S CA 2.058 60.228 58.200 -0.049 0.000 1.011 1430 S CB -0.313 62.852 63.200 -0.057 0.000 0.852 1430 S HN 0.643 nan 8.310 nan 0.000 0.457 1431 K N 0.312 120.700 120.400 -0.021 0.000 2.097 1431 K HA 0.052 4.372 4.320 0.000 0.000 0.205 1431 K C 2.098 178.706 176.600 0.012 0.000 1.050 1431 K CA 1.102 57.386 56.287 -0.006 0.000 0.938 1431 K CB -0.442 32.054 32.500 -0.008 0.000 0.718 1431 K HN 0.372 nan 8.250 nan 0.000 0.442 1432 A N 1.052 123.881 122.820 0.014 0.000 1.929 1432 A HA -0.054 4.266 4.320 0.000 0.000 0.216 1432 A C 2.047 179.677 177.584 0.076 0.000 1.176 1432 A CA 1.002 53.066 52.037 0.045 0.000 0.628 1432 A CB -0.465 18.555 19.000 0.034 0.000 0.816 1432 A HN 0.296 nan 8.150 nan 0.000 0.444 1433 L N -0.868 120.369 121.223 0.023 0.000 2.056 1433 L HA -0.221 4.119 4.340 0.000 0.000 0.207 1433 L C 2.700 179.615 176.870 0.074 0.000 1.078 1433 L CA 1.195 56.042 54.840 0.012 0.000 0.749 1433 L CB -0.599 41.430 42.059 -0.051 0.000 0.901 1433 L HN 0.477 nan 8.230 nan 0.000 0.433 1434 C N -0.179 119.147 119.300 0.042 0.000 2.432 1434 C HA -0.105 4.355 4.460 0.000 0.000 0.277 1434 C C 2.932 177.956 174.990 0.058 0.000 1.249 1434 C CA 0.764 59.806 59.018 0.039 0.000 1.725 1434 C CB -1.631 26.117 27.740 0.012 0.000 2.028 1434 C HN 0.711 nan 8.230 nan 0.000 0.477 1435 G N -0.110 108.725 108.800 0.058 0.000 2.553 1435 G HA2 -0.339 3.621 3.960 0.000 0.000 0.218 1435 G HA3 -0.339 3.621 3.960 0.000 0.000 0.218 1435 G C 1.425 176.366 174.900 0.069 0.000 1.195 1435 G CA 1.191 46.321 45.100 0.051 0.000 0.779 1435 G HN 0.439 nan 8.290 nan 0.000 0.577 1436 F N 1.905 121.838 119.950 -0.028 0.000 2.087 1436 F HA -0.176 4.351 4.527 0.000 0.000 0.299 1436 F C 3.009 178.790 175.800 -0.032 0.000 1.100 1436 F CA 2.326 60.308 58.000 -0.031 0.000 1.226 1436 F CB -0.505 38.480 39.000 -0.025 0.000 0.983 1436 F HN 0.148 nan 8.300 nan 0.000 0.479 1437 T N -0.501 114.211 114.554 0.263 0.000 2.812 1437 T HA -0.150 4.200 4.350 0.000 0.000 0.264 1437 T C 1.731 176.457 174.700 0.044 0.000 1.042 1437 T CA 1.502 63.699 62.100 0.162 0.000 1.140 1437 T CB -0.288 68.647 68.868 0.112 0.000 0.870 1437 T HN 0.353 nan 8.240 nan 0.000 0.445 1438 E N 1.168 121.378 120.200 0.016 0.000 2.077 1438 E HA -0.079 4.271 4.350 0.000 0.000 0.193 1438 E C 2.508 179.074 176.600 -0.056 0.000 0.989 1438 E CA 1.060 57.449 56.400 -0.019 0.000 0.800 1438 E CB -0.189 29.499 29.700 -0.021 0.000 0.746 1438 E HN 0.476 nan 8.360 nan 0.000 0.452 1439 A N 1.292 124.051 122.820 -0.102 0.000 1.897 1439 A HA -0.018 4.302 4.320 0.000 0.000 0.215 1439 A C 2.358 179.824 177.584 -0.196 0.000 1.181 1439 A CA 1.450 53.384 52.037 -0.173 0.000 0.620 1439 A CB -0.516 18.335 19.000 -0.248 0.000 0.821 1439 A HN 0.283 nan 8.150 nan 0.000 0.443 1440 A N -0.067 122.637 122.820 -0.194 0.000 1.898 1440 A HA 0.195 4.515 4.320 0.000 0.000 0.216 1440 A C 2.488 180.046 177.584 -0.043 0.000 1.181 1440 A CA 1.993 53.948 52.037 -0.137 0.000 0.620 1440 A CB -0.968 18.006 19.000 -0.043 0.000 0.819 1440 A HN 0.998 nan 8.150 nan 0.000 0.442 1441 A N -0.838 121.975 122.820 -0.012 0.000 1.930 1441 A HA -0.147 4.173 4.320 0.000 0.000 0.217 1441 A C 2.154 179.764 177.584 0.042 0.000 1.175 1441 A CA 2.022 54.073 52.037 0.022 0.000 0.627 1441 A CB -0.489 18.521 19.000 0.017 0.000 0.815 1441 A HN 0.575 nan 8.150 nan 0.000 0.443 1442 Q N 0.023 119.827 119.800 0.006 0.000 2.050 1442 Q HA -0.024 4.316 4.340 0.000 0.000 0.202 1442 Q C 2.026 178.076 176.000 0.083 0.000 0.980 1442 Q CA 2.251 58.076 55.803 0.037 0.000 0.840 1442 Q CB -0.579 28.147 28.738 -0.020 0.000 0.898 1442 Q HN 0.519 nan 8.270 nan 0.000 0.424 1443 A N 0.441 123.249 122.820 -0.019 0.000 1.902 1443 A HA -0.049 4.271 4.320 0.000 0.000 0.217 1443 A C 2.317 179.965 177.584 0.107 0.000 1.181 1443 A CA 1.871 53.895 52.037 -0.023 0.000 0.623 1443 A CB -1.252 17.598 19.000 -0.251 0.000 0.818 1443 A HN 0.559 nan 8.150 nan 0.000 0.443 1444 A N -1.208 121.657 122.820 0.076 0.000 1.877 1444 A HA -0.134 4.186 4.320 0.000 0.000 0.216 1444 A C 2.148 179.787 177.584 0.092 0.000 1.186 1444 A CA 1.724 53.809 52.037 0.080 0.000 0.620 1444 A CB -0.976 18.064 19.000 0.067 0.000 0.822 1444 A HN 0.798 nan 8.150 nan 0.000 0.443 1445 Y N 0.683 120.993 120.300 0.018 0.000 2.081 1445 Y HA -0.248 4.302 4.550 0.000 0.000 0.280 1445 Y C 1.971 177.887 175.900 0.026 0.000 1.163 1445 Y CA 2.103 60.213 58.100 0.017 0.000 1.135 1445 Y CB -0.420 38.045 38.460 0.008 0.000 0.970 1445 Y HN 0.221 nan 8.280 nan 0.000 0.498 1446 L N -0.977 120.275 121.223 0.049 0.000 2.042 1446 L HA -0.265 4.075 4.340 0.000 0.000 0.210 1446 L C 2.385 179.199 176.870 -0.093 0.000 1.076 1446 L CA 1.345 56.175 54.840 -0.017 0.000 0.749 1446 L CB -0.805 41.358 42.059 0.173 0.000 0.893 1446 L HN 0.188 nan 8.230 nan 0.000 0.432 1447 V N -0.039 119.857 119.914 -0.029 0.000 2.307 1447 V HA -0.177 3.943 4.120 0.000 0.000 0.245 1447 V C 2.559 178.585 176.094 -0.112 0.000 1.045 1447 V CA 2.018 64.278 62.300 -0.067 0.000 1.024 1447 V CB -1.052 30.767 31.823 -0.006 0.000 0.651 1447 V HN 0.562 nan 8.190 nan 0.000 0.449 1448 G N 0.168 108.888 108.800 -0.132 0.000 2.421 1448 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 1448 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 1448 G C 1.602 176.390 174.900 -0.186 0.000 1.143 1448 G CA 1.198 46.221 45.100 -0.129 0.000 0.784 1448 G HN 0.598 nan 8.290 nan 0.000 0.541 1449 V N 0.007 119.730 119.914 -0.318 0.000 3.380 1449 V HA 0.070 4.190 4.120 0.000 0.000 0.268 1449 V C 2.354 178.339 176.094 -0.182 0.000 1.168 1449 V CA 1.800 63.921 62.300 -0.298 0.000 1.156 1449 V CB -0.055 31.475 31.823 -0.489 0.000 0.785 1449 V HN 0.386 nan 8.190 nan 0.000 0.487 1450 S N -0.382 115.226 115.700 -0.155 0.000 2.524 1450 S HA 0.036 4.506 4.470 0.000 0.000 0.216 1450 S C 0.733 175.282 174.600 -0.085 0.000 0.987 1450 S CA 0.316 58.449 58.200 -0.112 0.000 0.909 1450 S CB -0.623 62.508 63.200 -0.114 0.000 0.781 1450 S HN 0.671 nan 8.310 nan 0.000 0.521 1451 D N 3.211 123.562 120.400 -0.083 0.000 2.488 1451 D HA 0.152 4.792 4.640 0.000 0.000 0.238 1451 D C -1.402 174.868 176.300 -0.051 0.000 1.138 1451 D CA -1.388 52.575 54.000 -0.062 0.000 0.873 1451 D CB 1.007 41.771 40.800 -0.060 0.000 1.183 1451 D HN 0.048 nan 8.370 nan 0.000 0.458 1452 P HA -0.101 nan 4.420 nan 0.000 0.221 1452 P C 0.223 177.506 177.300 -0.028 0.000 1.145 1452 P CA 0.896 63.977 63.100 -0.032 0.000 0.795 1452 P CB 0.191 31.875 31.700 -0.026 0.000 0.775 1453 N N -1.053 117.629 118.700 -0.029 0.000 2.322 1453 N HA 0.078 4.818 4.740 0.000 0.000 0.194 1453 N C 0.049 175.543 175.510 -0.028 0.000 1.126 1453 N CA 0.345 53.380 53.050 -0.025 0.000 0.845 1453 N CB 0.238 38.713 38.487 -0.021 0.000 0.976 1453 N HN 0.102 nan 8.380 nan 0.000 0.475 1454 S N 0.597 116.274 115.700 -0.038 0.000 2.593 1454 S HA 0.394 4.864 4.470 0.000 0.000 0.297 1454 S C -0.167 174.409 174.600 -0.039 0.000 1.112 1454 S CA -0.687 57.487 58.200 -0.043 0.000 1.043 1454 S CB 2.264 65.421 63.200 -0.071 0.000 1.054 1454 S HN 0.011 nan 8.310 nan 0.000 0.516 1455 Q N 1.257 121.039 119.800 -0.029 0.000 2.330 1455 Q HA 0.526 4.866 4.340 0.000 0.000 0.269 1455 Q C -0.344 175.651 176.000 -0.009 0.000 1.022 1455 Q CA -0.581 55.212 55.803 -0.017 0.000 0.796 1455 Q CB 1.857 30.593 28.738 -0.004 0.000 1.271 1455 Q HN 0.829 nan 8.270 nan 0.000 0.450 1456 A N 1.848 124.665 122.820 -0.006 0.000 2.547 1456 A HA 0.372 4.693 4.320 0.000 0.000 0.233 1456 A C 0.737 178.391 177.584 0.116 0.000 1.067 1456 A CA 0.662 52.726 52.037 0.044 0.000 0.763 1456 A CB -0.024 19.014 19.000 0.064 0.000 1.007 1456 A HN 0.728 nan 8.150 nan 0.000 0.506 1457 G N 0.337 109.286 108.800 0.248 0.000 2.441 1457 G HA2 0.444 4.404 3.960 0.000 0.000 0.243 1457 G HA3 0.444 4.404 3.960 0.000 0.000 0.243 1457 G C -0.216 174.747 174.900 0.104 0.000 1.281 1457 G CA -0.298 44.908 45.100 0.176 0.000 0.854 1457 G HN 0.796 nan 8.290 nan 0.000 0.560 1458 Q N 0.637 120.473 119.800 0.060 0.000 2.322 1458 Q HA 0.237 4.577 4.340 0.000 0.000 0.265 1458 Q C -0.252 175.763 176.000 0.026 0.000 0.985 1458 Q CA -0.554 55.273 55.803 0.039 0.000 0.849 1458 Q CB 2.100 30.857 28.738 0.031 0.000 1.274 1458 Q HN 0.785 nan 8.270 nan 0.000 0.449 1459 Q N 0.764 120.573 119.800 0.016 0.000 2.327 1459 Q HA 0.449 4.789 4.340 0.000 0.000 0.254 1459 Q C 0.371 176.386 176.000 0.025 0.000 0.952 1459 Q CA -0.628 55.179 55.803 0.006 0.000 0.884 1459 Q CB 0.383 29.114 28.738 -0.010 0.000 1.224 1459 Q HN 0.688 nan 8.270 nan 0.000 0.422 1460 G N 1.512 110.333 108.800 0.034 0.000 2.630 1460 G HA2 0.028 3.988 3.960 0.000 0.000 0.236 1460 G HA3 0.028 3.988 3.960 0.000 0.000 0.236 1460 G C 0.315 175.255 174.900 0.067 0.000 1.248 1460 G CA -0.554 44.590 45.100 0.073 0.000 0.844 1460 G HN 0.733 nan 8.290 nan 0.000 0.588 1461 L N 0.986 122.284 121.223 0.126 0.000 2.093 1461 L HA -0.011 4.329 4.340 0.000 0.000 0.208 1461 L C 1.680 178.516 176.870 -0.057 0.000 1.085 1461 L CA 0.800 55.662 54.840 0.037 0.000 0.755 1461 L CB -0.464 41.656 42.059 0.101 0.000 0.904 1461 L HN 0.381 nan 8.230 nan 0.000 0.435 1462 V N -2.306 117.620 119.914 0.019 0.000 6.154 1462 V HA 0.140 4.260 4.120 0.000 0.000 0.274 1462 V C 1.251 177.315 176.094 -0.050 0.000 1.592 1462 V CA -0.537 61.755 62.300 -0.013 0.000 0.638 1462 V CB 0.532 32.435 31.823 0.133 0.000 1.458 1462 V HN -0.009 nan 8.190 nan 0.000 0.391 1463 E N 0.645 120.773 120.200 -0.120 0.000 2.079 1463 E HA 0.072 4.422 4.350 0.000 0.000 0.191 1463 E C -1.145 175.433 176.600 -0.037 0.000 0.961 1463 E CA 0.554 56.882 56.400 -0.119 0.000 0.823 1463 E CB -0.361 29.215 29.700 -0.207 0.000 0.789 1463 E HN 0.626 nan 8.360 nan 0.000 0.459 1464 P HA 0.108 nan 4.420 nan 0.000 0.259 1464 P C 0.455 177.783 177.300 0.047 0.000 1.530 1464 P CA 0.390 63.527 63.100 0.063 0.000 1.022 1464 P CB 0.289 32.136 31.700 0.246 0.000 1.514 1465 T N -2.812 111.731 114.554 -0.018 0.000 2.833 1465 T HA -0.214 4.136 4.350 0.000 0.000 0.269 1465 T C 1.832 176.500 174.700 -0.052 0.000 1.054 1465 T CA 0.893 62.987 62.100 -0.011 0.000 1.135 1465 T CB -0.596 68.260 68.868 -0.020 0.000 0.869 1465 T HN 0.154 nan 8.240 nan 0.000 0.466 1466 Q N -0.370 119.314 119.800 -0.193 0.000 2.248 1466 Q HA -0.122 4.218 4.340 0.000 0.000 0.208 1466 Q C 1.448 177.326 176.000 -0.204 0.000 0.984 1466 Q CA 1.360 56.993 55.803 -0.283 0.000 0.875 1466 Q CB -0.215 28.225 28.738 -0.496 0.000 0.910 1466 Q HN 0.619 nan 8.270 nan 0.000 0.433 1467 F N -1.016 118.968 119.950 0.056 0.000 2.262 1467 F HA 0.126 4.653 4.527 0.000 0.000 0.292 1467 F C 2.250 178.087 175.800 0.061 0.000 1.081 1467 F CA 0.596 58.634 58.000 0.063 0.000 1.355 1467 F CB -0.948 38.084 39.000 0.052 0.000 1.069 1467 F HN 0.046 nan 8.300 nan 0.000 0.506 1468 A N 0.482 123.441 122.820 0.232 0.000 1.883 1468 A HA -0.220 4.100 4.320 0.000 0.000 0.217 1468 A C 2.372 180.034 177.584 0.130 0.000 1.186 1468 A CA 1.817 53.940 52.037 0.143 0.000 0.624 1468 A CB -0.760 18.300 19.000 0.100 0.000 0.822 1468 A HN 0.279 nan 8.150 nan 0.000 0.444 1469 R N -0.833 119.752 120.500 0.143 0.000 2.081 1469 R HA -0.104 4.236 4.340 0.000 0.000 0.235 1469 R C 2.522 178.970 176.300 0.247 0.000 1.131 1469 R CA 1.211 57.435 56.100 0.206 0.000 0.960 1469 R CB -0.443 29.992 30.300 0.224 0.000 0.856 1469 R HN 0.544 nan 8.270 nan 0.000 0.436 1470 A N 1.461 124.471 122.820 0.316 0.000 1.877 1470 A HA -0.181 4.139 4.320 0.000 0.000 0.216 1470 A C 1.781 179.394 177.584 0.048 0.000 1.186 1470 A CA 1.513 53.678 52.037 0.213 0.000 0.620 1470 A CB -0.577 18.584 19.000 0.268 0.000 0.822 1470 A HN 0.338 nan 8.150 nan 0.000 0.443 1471 N N -0.593 118.163 118.700 0.092 0.000 2.244 1471 N HA -0.153 4.587 4.740 0.000 0.000 0.183 1471 N C 1.957 177.474 175.510 0.011 0.000 1.016 1471 N CA 1.182 54.262 53.050 0.050 0.000 0.866 1471 N CB -0.228 38.299 38.487 0.067 0.000 0.980 1471 N HN 0.574 nan 8.380 nan 0.000 0.430 1472 Q N 0.862 120.668 119.800 0.009 0.000 2.050 1472 Q HA -0.066 4.275 4.340 0.000 0.000 0.202 1472 Q C 2.160 178.121 176.000 -0.065 0.000 0.980 1472 Q CA 1.249 57.043 55.803 -0.014 0.000 0.840 1472 Q CB -0.164 28.579 28.738 0.007 0.000 0.898 1472 Q HN 0.336 nan 8.270 nan 0.000 0.424 1473 A N 1.136 123.860 122.820 -0.159 0.000 1.892 1473 A HA -0.229 4.091 4.320 0.000 0.000 0.218 1473 A C 2.052 179.562 177.584 -0.123 0.000 1.188 1473 A CA 1.612 53.510 52.037 -0.232 0.000 0.631 1473 A CB -0.874 17.791 19.000 -0.557 0.000 0.822 1473 A HN 0.358 nan 8.150 nan 0.000 0.447 1474 I N -0.682 119.835 120.570 -0.088 0.000 2.127 1474 I HA -0.318 3.853 4.170 0.000 0.000 0.241 1474 I C 2.739 178.838 176.117 -0.029 0.000 1.075 1474 I CA 1.492 62.766 61.300 -0.043 0.000 1.334 1474 I CB -0.517 37.471 38.000 -0.020 0.000 1.040 1474 I HN 0.292 nan 8.210 nan 0.000 0.405 1475 Q N -0.153 119.633 119.800 -0.023 0.000 2.112 1475 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 1475 Q C 2.200 178.191 176.000 -0.015 0.000 0.987 1475 Q CA 1.785 57.580 55.803 -0.013 0.000 0.858 1475 Q CB -0.551 28.183 28.738 -0.007 0.000 0.905 1475 Q HN 0.410 nan 8.270 nan 0.000 0.420 1476 M N 0.167 119.753 119.600 -0.024 0.000 2.117 1476 M HA -0.077 4.403 4.480 0.000 0.000 0.262 1476 M C 1.956 178.247 176.300 -0.014 0.000 1.065 1476 M CA 1.685 56.973 55.300 -0.019 0.000 1.114 1476 M CB -0.811 31.772 32.600 -0.028 0.000 1.361 1476 M HN 0.195 nan 8.290 nan 0.000 0.408 1477 A N -1.228 121.579 122.820 -0.022 0.000 1.877 1477 A HA -0.190 4.130 4.320 0.000 0.000 0.216 1477 A C 2.396 179.977 177.584 -0.005 0.000 1.186 1477 A CA 1.871 53.901 52.037 -0.012 0.000 0.620 1477 A CB -1.485 17.503 19.000 -0.021 0.000 0.822 1477 A HN 0.627 nan 8.150 nan 0.000 0.443 1478 C N -0.764 118.531 119.300 -0.008 0.000 2.413 1478 C HA -0.149 4.311 4.460 0.000 0.000 0.276 1478 C C 2.862 177.854 174.990 0.002 0.000 1.248 1478 C CA 1.346 60.361 59.018 -0.004 0.000 1.742 1478 C CB -1.190 26.547 27.740 -0.006 0.000 2.017 1478 C HN 0.755 nan 8.230 nan 0.000 0.481 1479 Q N 0.900 120.701 119.800 0.002 0.000 2.046 1479 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 1479 Q C 2.240 178.248 176.000 0.014 0.000 0.975 1479 Q CA 2.064 57.871 55.803 0.006 0.000 0.836 1479 Q CB -0.175 28.566 28.738 0.004 0.000 0.896 1479 Q HN 0.652 nan 8.270 nan 0.000 0.428 1480 S N 1.179 116.889 115.700 0.017 0.000 2.368 1480 S HA -0.108 4.362 4.470 0.000 0.000 0.225 1480 S C 2.011 176.638 174.600 0.046 0.000 1.030 1480 S CA 1.044 59.263 58.200 0.030 0.000 0.999 1480 S CB -0.246 62.973 63.200 0.031 0.000 0.844 1480 S HN 0.351 nan 8.310 nan 0.000 0.459 1481 L N 0.700 121.944 121.223 0.034 0.000 2.141 1481 L HA -0.038 4.302 4.340 0.000 0.000 0.209 1481 L C 2.552 179.442 176.870 0.033 0.000 1.094 1481 L CA 1.136 55.996 54.840 0.034 0.000 0.763 1481 L CB -0.661 41.401 42.059 0.004 0.000 0.908 1481 L HN 0.439 nan 8.230 nan 0.000 0.437 1482 G N -1.133 107.680 108.800 0.023 0.000 2.497 1482 G HA2 -0.018 3.942 3.960 0.000 0.000 0.210 1482 G HA3 -0.018 3.942 3.960 0.000 0.000 0.210 1482 G C 0.455 175.369 174.900 0.023 0.000 1.177 1482 G CA -0.277 44.834 45.100 0.019 0.000 0.822 1482 G HN 0.254 nan 8.290 nan 0.000 0.550 1483 E N 1.134 121.347 120.200 0.022 0.000 2.338 1483 E HA 0.168 4.518 4.350 0.000 0.000 0.272 1483 E C -1.575 175.040 176.600 0.025 0.000 1.029 1483 E CA -1.616 54.796 56.400 0.020 0.000 0.872 1483 E CB 1.599 31.308 29.700 0.014 0.000 1.015 1483 E HN 0.028 nan 8.360 nan 0.000 0.417 1484 P HA -0.100 nan 4.420 nan 0.000 0.223 1484 P C 0.659 177.968 177.300 0.014 0.000 1.144 1484 P CA 0.714 63.826 63.100 0.021 0.000 0.783 1484 P CB 0.155 31.863 31.700 0.014 0.000 0.771 1485 G N -0.837 107.970 108.800 0.012 0.000 3.541 1485 G HA2 0.290 4.250 3.960 0.000 0.000 0.253 1485 G HA3 0.290 4.250 3.960 0.000 0.000 0.253 1485 G C -0.472 174.432 174.900 0.006 0.000 1.017 1485 G CA -0.056 45.047 45.100 0.006 0.000 1.832 1485 G HN 0.234 nan 8.290 nan 0.000 0.649 1486 C N 0.022 119.326 119.300 0.006 0.000 3.082 1486 C HA 0.646 5.106 4.460 0.000 0.000 0.324 1486 C C 0.553 175.529 174.990 -0.022 0.000 1.210 1486 C CA -0.802 58.218 59.018 0.003 0.000 1.366 1486 C CB 1.430 29.186 27.740 0.026 0.000 1.756 1486 C HN 0.693 nan 8.230 nan 0.000 0.485 1487 T N 0.296 114.826 114.554 -0.040 0.000 2.868 1487 T HA 0.197 4.547 4.350 0.000 0.000 0.292 1487 T C 0.979 175.597 174.700 -0.137 0.000 1.028 1487 T CA 0.092 62.136 62.100 -0.093 0.000 1.059 1487 T CB 0.739 69.561 68.868 -0.076 0.000 0.991 1487 T HN 0.761 nan 8.240 nan 0.000 0.531 1488 Q N 1.124 120.738 119.800 -0.310 0.000 1.998 1488 Q HA -0.236 4.104 4.340 0.000 0.000 0.209 1488 Q C 2.728 178.673 176.000 -0.092 0.000 1.002 1488 Q CA 2.025 57.532 55.803 -0.493 0.000 0.858 1488 Q CB -0.896 27.374 28.738 -0.780 0.000 0.932 1488 Q HN 0.963 nan 8.270 nan 0.000 0.416 1489 A N 0.942 123.721 122.820 -0.069 0.000 1.940 1489 A HA -0.328 3.992 4.320 0.000 0.000 0.221 1489 A C 1.951 179.554 177.584 0.031 0.000 1.190 1489 A CA 2.164 54.203 52.037 0.004 0.000 0.647 1489 A CB -0.718 18.274 19.000 -0.012 0.000 0.821 1489 A HN 0.467 nan 8.150 nan 0.000 0.457 1490 Q N -0.864 118.945 119.800 0.016 0.000 2.167 1490 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 1490 Q C 2.110 178.144 176.000 0.056 0.000 0.970 1490 Q CA 1.352 57.172 55.803 0.028 0.000 0.855 1490 Q CB -0.273 28.472 28.738 0.011 0.000 0.911 1490 Q HN 0.531 nan 8.270 nan 0.000 0.438 1491 V N 1.109 121.082 119.914 0.099 0.000 2.343 1491 V HA -0.256 3.864 4.120 0.000 0.000 0.247 1491 V C 2.138 178.307 176.094 0.124 0.000 1.051 1491 V CA 1.510 63.896 62.300 0.143 0.000 1.036 1491 V CB -0.517 31.482 31.823 0.292 0.000 0.654 1491 V HN 0.337 nan 8.190 nan 0.000 0.451 1492 L N 0.103 121.418 121.223 0.153 0.000 2.046 1492 L HA -0.165 4.175 4.340 0.000 0.000 0.208 1492 L C 2.629 179.536 176.870 0.061 0.000 1.077 1492 L CA 1.819 56.724 54.840 0.108 0.000 0.747 1492 L CB -0.754 41.384 42.059 0.133 0.000 0.896 1492 L HN 0.334 nan 8.230 nan 0.000 0.432 1493 S N 0.275 116.007 115.700 0.052 0.000 2.356 1493 S HA -0.161 4.309 4.470 0.000 0.000 0.223 1493 S C 2.244 176.860 174.600 0.027 0.000 1.032 1493 S CA 1.135 59.356 58.200 0.035 0.000 1.005 1493 S CB -0.505 62.713 63.200 0.029 0.000 0.867 1493 S HN 0.476 nan 8.310 nan 0.000 0.449 1494 A N 1.715 124.549 122.820 0.025 0.000 1.972 1494 A HA 0.153 4.473 4.320 0.000 0.000 0.219 1494 A C 2.341 179.924 177.584 -0.001 0.000 1.169 1494 A CA 1.657 53.698 52.037 0.008 0.000 0.635 1494 A CB -1.059 17.947 19.000 0.010 0.000 0.810 1494 A HN 0.529 nan 8.150 nan 0.000 0.446 1495 A N -0.822 122.005 122.820 0.012 0.000 1.855 1495 A HA -0.060 4.260 4.320 0.000 0.000 0.215 1495 A C 2.298 179.885 177.584 0.006 0.000 1.191 1495 A CA 2.193 54.232 52.037 0.003 0.000 0.613 1495 A CB -1.337 17.665 19.000 0.004 0.000 0.829 1495 A HN 0.419 nan 8.150 nan 0.000 0.442 1496 T N 0.958 115.523 114.554 0.018 0.000 2.833 1496 T HA -0.161 4.189 4.350 0.000 0.000 0.269 1496 T C 1.824 176.545 174.700 0.034 0.000 1.054 1496 T CA 1.576 63.691 62.100 0.025 0.000 1.135 1496 T CB -0.706 68.180 68.868 0.029 0.000 0.869 1496 T HN 0.696 nan 8.240 nan 0.000 0.466 1497 I N 0.173 120.761 120.570 0.029 0.000 2.286 1497 I HA -0.109 4.061 4.170 0.000 0.000 0.248 1497 I C 2.161 178.297 176.117 0.033 0.000 1.115 1497 I CA 1.083 62.413 61.300 0.050 0.000 1.392 1497 I CB -0.620 37.404 38.000 0.040 0.000 1.065 1497 I HN -0.014 nan 8.210 nan 0.000 0.418 1498 V N 2.223 122.116 119.914 -0.036 0.000 2.282 1498 V HA -0.345 3.776 4.120 0.000 0.000 0.249 1498 V C 3.147 179.265 176.094 0.039 0.000 1.057 1498 V CA 2.239 64.512 62.300 -0.045 0.000 1.032 1498 V CB -1.550 30.250 31.823 -0.038 0.000 0.645 1498 V HN 0.668 nan 8.190 nan 0.000 0.447 1499 A N -0.665 122.179 122.820 0.041 0.000 1.948 1499 A HA -0.240 4.080 4.320 0.000 0.000 0.220 1499 A C 2.240 179.867 177.584 0.072 0.000 1.177 1499 A CA 1.927 53.993 52.037 0.049 0.000 0.636 1499 A CB -0.402 18.617 19.000 0.033 0.000 0.815 1499 A HN 0.416 nan 8.150 nan 0.000 0.449 1500 K N -0.720 119.739 120.400 0.098 0.000 2.186 1500 K HA 0.018 4.338 4.320 0.000 0.000 0.202 1500 K C 1.785 178.453 176.600 0.112 0.000 1.052 1500 K CA 1.085 57.428 56.287 0.093 0.000 0.965 1500 K CB -0.641 31.909 32.500 0.083 0.000 0.746 1500 K HN 0.758 nan 8.250 nan 0.000 0.457 1501 H N 0.132 119.206 119.070 0.007 0.000 2.321 1501 H HA -0.092 4.464 4.556 0.000 0.000 0.300 1501 H C 1.946 177.285 175.328 0.018 0.000 1.087 1501 H CA 2.058 58.109 56.048 0.006 0.000 1.319 1501 H CB 0.239 30.011 29.762 0.016 0.000 1.379 1501 H HN 0.336 nan 8.280 nan 0.000 0.501 1502 T N -2.003 112.649 114.554 0.164 0.000 2.812 1502 T HA -0.106 4.244 4.350 0.000 0.000 0.264 1502 T C 2.310 177.058 174.700 0.081 0.000 1.042 1502 T CA 1.145 63.315 62.100 0.118 0.000 1.140 1502 T CB -0.557 68.367 68.868 0.093 0.000 0.870 1502 T HN 0.092 nan 8.240 nan 0.000 0.445 1503 S N 1.495 117.233 115.700 0.063 0.000 2.392 1503 S HA -0.098 4.372 4.470 0.000 0.000 0.232 1503 S C 2.326 176.940 174.600 0.024 0.000 1.041 1503 S CA 1.440 59.663 58.200 0.039 0.000 1.026 1503 S CB -0.906 62.313 63.200 0.032 0.000 0.845 1503 S HN 0.774 nan 8.310 nan 0.000 0.465 1504 A N 0.132 122.958 122.820 0.010 0.000 2.067 1504 A HA 0.196 4.516 4.320 0.000 0.000 0.217 1504 A C 1.872 179.443 177.584 -0.022 0.000 1.156 1504 A CA 0.624 52.646 52.037 -0.025 0.000 0.683 1504 A CB -0.392 18.565 19.000 -0.071 0.000 0.808 1504 A HN 0.474 nan 8.150 nan 0.000 0.455 1505 L N -0.603 120.630 121.223 0.017 0.000 2.201 1505 L HA -0.146 4.194 4.340 0.000 0.000 0.212 1505 L C 2.446 179.367 176.870 0.085 0.000 1.105 1505 L CA 1.258 56.134 54.840 0.060 0.000 0.775 1505 L CB -0.911 41.246 42.059 0.164 0.000 0.913 1505 L HN 0.506 nan 8.230 nan 0.000 0.440 1506 C N -0.376 118.962 119.300 0.063 0.000 2.440 1506 C HA -0.105 4.356 4.460 0.000 0.000 0.278 1506 C C 2.511 177.521 174.990 0.033 0.000 1.295 1506 C CA 0.565 59.618 59.018 0.059 0.000 1.738 1506 C CB -1.068 26.699 27.740 0.045 0.000 1.987 1506 C HN 0.613 nan 8.230 nan 0.000 0.492 1507 N N 1.267 119.972 118.700 0.007 0.000 2.142 1507 N HA -0.083 4.657 4.740 0.000 0.000 0.186 1507 N C 1.817 177.308 175.510 -0.032 0.000 1.023 1507 N CA 1.386 54.427 53.050 -0.014 0.000 0.852 1507 N CB -0.736 37.736 38.487 -0.025 0.000 0.998 1507 N HN 0.418 nan 8.380 nan 0.000 0.424 1508 S N 0.637 116.314 115.700 -0.038 0.000 2.368 1508 S HA -0.104 4.366 4.470 0.000 0.000 0.225 1508 S C 2.308 176.856 174.600 -0.086 0.000 1.030 1508 S CA 0.775 58.933 58.200 -0.070 0.000 0.999 1508 S CB -0.430 62.719 63.200 -0.085 0.000 0.844 1508 S HN 0.427 nan 8.310 nan 0.000 0.459 1509 C N 1.497 120.809 119.300 0.021 0.000 2.413 1509 C HA -0.054 4.406 4.460 0.000 0.000 0.278 1509 C C 2.863 177.825 174.990 -0.047 0.000 1.224 1509 C CA 0.513 59.577 59.018 0.076 0.000 1.732 1509 C CB -1.209 26.668 27.740 0.228 0.000 2.050 1509 C HN 0.542 nan 8.230 nan 0.000 0.463 1510 R N 0.499 120.997 120.500 -0.004 0.000 2.143 1510 R HA -0.202 4.138 4.340 0.000 0.000 0.239 1510 R C 2.042 178.301 176.300 -0.069 0.000 1.126 1510 R CA 1.946 58.037 56.100 -0.015 0.000 0.927 1510 R CB -0.956 29.341 30.300 -0.006 0.000 0.860 1510 R HN 0.542 nan 8.270 nan 0.000 0.433 1511 L N 0.005 121.171 121.223 -0.096 0.000 2.131 1511 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1511 L C 2.706 179.464 176.870 -0.186 0.000 1.092 1511 L CA 1.210 55.985 54.840 -0.109 0.000 0.759 1511 L CB -0.458 41.544 42.059 -0.095 0.000 0.903 1511 L HN 0.299 nan 8.230 nan 0.000 0.435 1512 A N 0.162 122.767 122.820 -0.358 0.000 1.858 1512 A HA -0.242 4.078 4.320 0.000 0.000 0.216 1512 A C 2.558 179.877 177.584 -0.442 0.000 1.190 1512 A CA 2.191 53.825 52.037 -0.670 0.000 0.617 1512 A CB -0.860 17.113 19.000 -1.713 0.000 0.827 1512 A HN 0.499 nan 8.150 nan 0.000 0.443 1513 S N 0.364 115.901 115.700 -0.272 0.000 2.345 1513 S HA 0.107 4.577 4.470 0.000 0.000 0.220 1513 S C 1.686 176.304 174.600 0.030 0.000 1.031 1513 S CA 1.037 59.264 58.200 0.045 0.000 0.996 1513 S CB -0.850 62.438 63.200 0.146 0.000 0.882 1513 S HN 1.146 nan 8.310 nan 0.000 0.445 1514 A N 1.848 124.665 122.820 -0.006 0.000 2.478 1514 A HA 0.452 4.772 4.320 0.000 0.000 0.239 1514 A C 1.310 178.891 177.584 -0.005 0.000 1.480 1514 A CA 0.303 52.343 52.037 0.004 0.000 1.308 1514 A CB -1.039 17.960 19.000 -0.001 0.000 0.899 1514 A HN 0.800 nan 8.150 nan 0.000 0.600 1515 R N -2.881 117.620 120.500 0.002 0.000 2.283 1515 R HA -0.018 4.322 4.340 0.000 0.000 0.138 1515 R C 0.749 177.073 176.300 0.039 0.000 0.575 1515 R CA 0.832 56.937 56.100 0.009 0.000 0.876 1515 R CB -1.046 29.247 30.300 -0.012 0.000 1.284 1515 R HN 0.125 nan 8.270 nan 0.000 0.489 1516 T N -0.402 114.197 114.554 0.075 0.000 3.100 1516 T HA 0.317 4.667 4.350 0.000 0.000 0.253 1516 T C 1.477 176.256 174.700 0.132 0.000 1.118 1516 T CA 1.470 63.660 62.100 0.150 0.000 1.058 1516 T CB -0.005 69.047 68.868 0.307 0.000 0.953 1516 T HN 0.603 nan 8.240 nan 0.000 0.515 1517 A N 2.116 124.994 122.820 0.096 0.000 1.280 1517 A HA -0.345 3.975 4.320 0.000 0.000 0.322 1517 A C 0.867 178.511 177.584 0.100 0.000 1.411 1517 A CA 1.734 53.819 52.037 0.079 0.000 1.093 1517 A CB -2.568 16.465 19.000 0.054 0.000 1.471 1517 A HN 0.742 nan 8.150 nan 0.000 0.723 1518 N N 2.105 120.869 118.700 0.107 0.000 1.960 1518 N HA -0.008 4.732 4.740 0.000 0.000 0.295 1518 N C -0.864 174.755 175.510 0.183 0.000 1.364 1518 N CA 0.108 53.236 53.050 0.130 0.000 0.887 1518 N CB 0.529 39.091 38.487 0.124 0.000 1.226 1518 N HN 0.486 nan 8.380 nan 0.000 0.492 1519 P HA -0.080 nan 4.420 nan 0.000 0.221 1519 P C 1.326 178.709 177.300 0.138 0.000 1.155 1519 P CA 0.824 64.000 63.100 0.128 0.000 0.812 1519 P CB 0.076 31.827 31.700 0.085 0.000 0.801 1520 T N -0.402 114.235 114.554 0.139 0.000 2.720 1520 T HA -0.150 4.200 4.350 0.000 0.000 0.268 1520 T C 1.877 176.693 174.700 0.193 0.000 1.037 1520 T CA 1.910 64.091 62.100 0.134 0.000 1.144 1520 T CB -0.731 68.214 68.868 0.128 0.000 0.864 1520 T HN 0.042 nan 8.240 nan 0.000 0.444 1521 A N 1.202 124.224 122.820 0.338 0.000 1.873 1521 A HA -0.007 4.313 4.320 0.000 0.000 0.215 1521 A C 2.205 180.041 177.584 0.419 0.000 1.186 1521 A CA 2.165 54.492 52.037 0.483 0.000 0.616 1521 A CB -0.699 18.795 19.000 0.823 0.000 0.823 1521 A HN 0.668 nan 8.150 nan 0.000 0.442 1522 K N -0.248 120.382 120.400 0.383 0.000 2.113 1522 K HA -0.196 4.125 4.320 0.000 0.000 0.208 1522 K C 2.191 178.923 176.600 0.219 0.000 1.047 1522 K CA 1.902 58.385 56.287 0.326 0.000 0.928 1522 K CB -0.212 32.413 32.500 0.209 0.000 0.716 1522 K HN 0.401 nan 8.250 nan 0.000 0.446 1523 R N -0.089 120.483 120.500 0.121 0.000 2.075 1523 R HA -0.020 4.320 4.340 0.000 0.000 0.226 1523 R C 2.403 178.672 176.300 -0.051 0.000 1.114 1523 R CA 1.159 57.282 56.100 0.038 0.000 0.972 1523 R CB 0.034 30.345 30.300 0.017 0.000 0.869 1523 R HN 0.315 nan 8.270 nan 0.000 0.437 1524 Q N -0.482 119.218 119.800 -0.165 0.000 2.135 1524 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 1524 Q C 1.814 177.605 176.000 -0.348 0.000 0.981 1524 Q CA 1.412 56.940 55.803 -0.459 0.000 0.856 1524 Q CB -0.066 27.987 28.738 -1.141 0.000 0.902 1524 Q HN 0.325 nan 8.270 nan 0.000 0.425 1525 F N -0.338 119.588 119.950 -0.040 0.000 2.234 1525 F HA -0.121 4.406 4.527 0.000 0.000 0.296 1525 F C 2.394 178.194 175.800 -0.001 0.000 1.089 1525 F CA 0.444 58.450 58.000 0.010 0.000 1.343 1525 F CB -0.605 38.429 39.000 0.056 0.000 1.040 1525 F HN -0.178 nan 8.300 nan 0.000 0.498 1526 V N -0.294 119.725 119.914 0.175 0.000 2.307 1526 V HA -0.288 3.832 4.120 0.000 0.000 0.245 1526 V C 2.398 178.516 176.094 0.039 0.000 1.045 1526 V CA 1.987 64.342 62.300 0.092 0.000 1.024 1526 V CB -0.666 31.198 31.823 0.069 0.000 0.651 1526 V HN 0.261 nan 8.190 nan 0.000 0.449 1527 Q N 0.469 120.264 119.800 -0.007 0.000 2.050 1527 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 1527 Q C 2.361 178.334 176.000 -0.046 0.000 0.980 1527 Q CA 2.451 58.227 55.803 -0.045 0.000 0.840 1527 Q CB -0.744 27.938 28.738 -0.094 0.000 0.898 1527 Q HN 0.518 nan 8.270 nan 0.000 0.424 1528 S N -0.030 115.630 115.700 -0.066 0.000 2.374 1528 S HA -0.228 4.242 4.470 0.000 0.000 0.227 1528 S C 1.860 176.476 174.600 0.027 0.000 1.037 1528 S CA 1.242 59.418 58.200 -0.040 0.000 1.024 1528 S CB -0.726 62.450 63.200 -0.041 0.000 0.861 1528 S HN 0.630 nan 8.310 nan 0.000 0.456 1529 A N 1.255 124.113 122.820 0.062 0.000 1.908 1529 A HA -0.166 4.154 4.320 0.000 0.000 0.218 1529 A C 2.052 179.658 177.584 0.037 0.000 1.181 1529 A CA 1.645 53.722 52.037 0.066 0.000 0.627 1529 A CB -0.419 18.624 19.000 0.072 0.000 0.818 1529 A HN 0.498 nan 8.150 nan 0.000 0.445 1530 K N -0.407 120.006 120.400 0.021 0.000 2.057 1530 K HA -0.125 4.195 4.320 0.000 0.000 0.206 1530 K C 1.999 178.601 176.600 0.003 0.000 1.050 1530 K CA 1.530 57.823 56.287 0.009 0.000 0.935 1530 K CB -0.189 32.312 32.500 0.000 0.000 0.715 1530 K HN 0.627 nan 8.250 nan 0.000 0.439 1531 E N 0.510 120.706 120.200 -0.006 0.000 2.051 1531 E HA -0.160 4.190 4.350 0.000 0.000 0.192 1531 E C 2.071 178.672 176.600 0.002 0.000 0.991 1531 E CA 1.239 57.632 56.400 -0.011 0.000 0.799 1531 E CB -0.038 29.645 29.700 -0.029 0.000 0.748 1531 E HN 0.024 nan 8.360 nan 0.000 0.449 1532 V N 1.387 121.311 119.914 0.016 0.000 2.358 1532 V HA -0.245 3.875 4.120 0.000 0.000 0.246 1532 V C 2.314 178.426 176.094 0.029 0.000 1.047 1532 V CA 1.784 64.103 62.300 0.032 0.000 1.035 1532 V CB -0.667 31.193 31.823 0.061 0.000 0.658 1532 V HN 0.313 nan 8.190 nan 0.000 0.452 1533 A N 0.536 123.372 122.820 0.027 0.000 1.902 1533 A HA -0.212 4.108 4.320 0.000 0.000 0.217 1533 A C 2.074 179.666 177.584 0.014 0.000 1.181 1533 A CA 2.010 54.061 52.037 0.022 0.000 0.623 1533 A CB -0.636 18.377 19.000 0.020 0.000 0.818 1533 A HN 0.590 nan 8.150 nan 0.000 0.443 1534 N N 0.330 119.035 118.700 0.009 0.000 2.142 1534 N HA -0.086 4.654 4.740 0.000 0.000 0.186 1534 N C 1.974 177.486 175.510 0.002 0.000 1.023 1534 N CA 1.627 54.678 53.050 0.003 0.000 0.852 1534 N CB -0.573 37.913 38.487 -0.002 0.000 0.998 1534 N HN 0.420 nan 8.380 nan 0.000 0.424 1535 S N -0.125 115.577 115.700 0.003 0.000 2.368 1535 S HA -0.129 4.341 4.470 0.000 0.000 0.225 1535 S C 2.090 176.694 174.600 0.006 0.000 1.030 1535 S CA 1.621 59.823 58.200 0.002 0.000 0.999 1535 S CB -0.540 62.662 63.200 0.003 0.000 0.844 1535 S HN 0.546 nan 8.310 nan 0.000 0.459 1536 T N 1.596 116.159 114.554 0.014 0.000 2.821 1536 T HA 0.009 4.359 4.350 0.000 0.000 0.267 1536 T C 1.814 176.521 174.700 0.012 0.000 1.046 1536 T CA 1.406 63.517 62.100 0.017 0.000 1.139 1536 T CB -0.396 68.489 68.868 0.029 0.000 0.871 1536 T HN 0.338 nan 8.240 nan 0.000 0.454 1537 A N 1.375 124.201 122.820 0.009 0.000 1.930 1537 A HA -0.044 4.276 4.320 0.000 0.000 0.217 1537 A C 2.213 179.798 177.584 0.001 0.000 1.175 1537 A CA 2.035 54.076 52.037 0.006 0.000 0.627 1537 A CB -1.105 17.898 19.000 0.005 0.000 0.815 1537 A HN 0.670 nan 8.150 nan 0.000 0.443 1538 N N -0.152 118.547 118.700 -0.001 0.000 2.084 1538 N HA -0.163 4.577 4.740 0.000 0.000 0.190 1538 N C 1.564 177.068 175.510 -0.009 0.000 1.030 1538 N CA 1.738 54.784 53.050 -0.006 0.000 0.849 1538 N CB -0.371 38.111 38.487 -0.007 0.000 1.012 1538 N HN 0.286 nan 8.380 nan 0.000 0.423 1539 L N 0.319 121.538 121.223 -0.006 0.000 1.994 1539 L HA -0.050 4.290 4.340 0.000 0.000 0.208 1539 L C 2.153 179.018 176.870 -0.010 0.000 1.071 1539 L CA 1.404 56.238 54.840 -0.009 0.000 0.745 1539 L CB -1.019 41.038 42.059 -0.004 0.000 0.892 1539 L HN 0.108 nan 8.230 nan 0.000 0.431 1540 V N 0.201 120.114 119.914 -0.002 0.000 2.317 1540 V HA -0.391 3.729 4.120 0.000 0.000 0.251 1540 V C 2.709 178.799 176.094 -0.006 0.000 1.065 1540 V CA 2.313 64.613 62.300 -0.001 0.000 1.049 1540 V CB -0.808 31.018 31.823 0.005 0.000 0.651 1540 V HN 0.586 nan 8.190 nan 0.000 0.450 1541 K N 0.286 120.681 120.400 -0.008 0.000 2.026 1541 K HA -0.231 4.089 4.320 0.000 0.000 0.208 1541 K C 2.295 178.882 176.600 -0.021 0.000 1.048 1541 K CA 2.144 58.424 56.287 -0.012 0.000 0.929 1541 K CB -0.416 32.078 32.500 -0.011 0.000 0.713 1541 K HN 0.694 nan 8.250 nan 0.000 0.439 1542 T N -0.640 113.897 114.554 -0.027 0.000 2.788 1542 T HA -0.126 4.224 4.350 0.000 0.000 0.268 1542 T C 1.966 176.633 174.700 -0.054 0.000 1.044 1542 T CA 1.410 63.484 62.100 -0.043 0.000 1.139 1542 T CB -0.424 68.416 68.868 -0.047 0.000 0.867 1542 T HN 0.240 nan 8.240 nan 0.000 0.454 1543 I N 0.932 121.478 120.570 -0.039 0.000 2.252 1543 I HA -0.105 4.065 4.170 0.000 0.000 0.245 1543 I C 2.863 178.964 176.117 -0.027 0.000 1.102 1543 I CA 1.323 62.601 61.300 -0.037 0.000 1.385 1543 I CB -0.248 37.744 38.000 -0.013 0.000 1.064 1543 I HN 0.233 nan 8.210 nan 0.000 0.414 1544 K N 0.858 121.248 120.400 -0.016 0.000 2.057 1544 K HA -0.103 4.217 4.320 0.000 0.000 0.206 1544 K C 2.254 178.845 176.600 -0.015 0.000 1.050 1544 K CA 1.427 57.710 56.287 -0.007 0.000 0.935 1544 K CB -0.246 32.252 32.500 -0.002 0.000 0.715 1544 K HN 0.285 nan 8.250 nan 0.000 0.439 1545 A N 1.306 124.108 122.820 -0.030 0.000 1.972 1545 A HA -0.145 4.175 4.320 0.000 0.000 0.219 1545 A C 2.050 179.597 177.584 -0.062 0.000 1.169 1545 A CA 1.082 53.097 52.037 -0.037 0.000 0.635 1545 A CB -0.358 18.616 19.000 -0.042 0.000 0.810 1545 A HN 0.212 nan 8.150 nan 0.000 0.446 1546 L N -0.095 121.068 121.223 -0.101 0.000 2.044 1546 L HA -0.001 4.339 4.340 0.000 0.000 0.205 1546 L C 1.145 177.967 176.870 -0.079 0.000 1.075 1546 L CA 1.991 56.708 54.840 -0.204 0.000 0.747 1546 L CB -0.353 41.511 42.059 -0.325 0.000 0.903 1546 L HN 0.331 nan 8.230 nan 0.000 0.435 1547 D N -0.709 119.700 120.400 0.016 0.000 2.856 1547 D HA 0.166 4.806 4.640 0.000 0.000 0.242 1547 D C 1.025 177.372 176.300 0.079 0.000 1.226 1547 D CA 0.771 54.834 54.000 0.105 0.000 0.855 1547 D CB -0.191 40.655 40.800 0.077 0.000 1.065 1547 D HN 0.496 nan 8.370 nan 0.000 0.462 1548 G N -0.207 108.636 108.800 0.072 0.000 3.079 1548 G HA2 0.003 3.963 3.960 0.000 0.000 0.157 1548 G HA3 0.003 3.963 3.960 0.000 0.000 0.157 1548 G C -0.418 174.513 174.900 0.052 0.000 1.447 1548 G CA -0.312 44.816 45.100 0.048 0.000 0.753 1548 G HN 0.256 nan 8.290 nan 0.000 0.989 1549 D N -0.535 119.900 120.400 0.058 0.000 2.300 1549 D HA 0.219 4.859 4.640 0.000 0.000 0.218 1549 D C -1.754 174.587 176.300 0.068 0.000 1.326 1549 D CA -0.605 53.431 54.000 0.061 0.000 0.942 1549 D CB 0.330 41.143 40.800 0.022 0.000 1.495 1549 D HN -0.084 nan 8.370 nan 0.000 0.545 1550 F N 3.806 123.756 119.950 -0.000 0.000 2.541 1550 F HA 0.320 4.847 4.527 0.000 0.000 0.351 1550 F C 0.456 176.256 175.800 -0.001 0.000 1.209 1550 F CA -0.099 57.900 58.000 -0.000 0.000 1.277 1550 F CB 0.131 39.131 39.000 -0.000 0.000 1.632 1550 F HN 0.157 nan 8.300 nan 0.000 0.619 1551 T N -0.640 113.939 114.554 0.041 0.000 2.940 1551 T HA 0.336 4.686 4.350 0.000 0.000 0.288 1551 T C 1.022 175.718 174.700 -0.006 0.000 1.045 1551 T CA -0.738 61.390 62.100 0.047 0.000 1.018 1551 T CB 1.642 70.517 68.868 0.011 0.000 1.151 1551 T HN 0.233 nan 8.240 nan 0.000 0.529 1552 E N 0.713 120.924 120.200 0.018 0.000 2.106 1552 E HA -0.116 4.234 4.350 0.000 0.000 0.192 1552 E C 2.155 178.736 176.600 -0.031 0.000 0.984 1552 E CA 1.206 57.608 56.400 0.004 0.000 0.806 1552 E CB -0.046 29.666 29.700 0.019 0.000 0.750 1552 E HN 0.834 nan 8.360 nan 0.000 0.458 1553 E N 1.024 121.206 120.200 -0.030 0.000 2.106 1553 E HA -0.139 4.211 4.350 0.000 0.000 0.192 1553 E C 1.530 178.089 176.600 -0.068 0.000 0.984 1553 E CA 0.708 57.084 56.400 -0.040 0.000 0.806 1553 E CB -0.656 29.028 29.700 -0.026 0.000 0.750 1553 E HN 0.129 nan 8.360 nan 0.000 0.458 1554 N N 1.370 120.013 118.700 -0.096 0.000 2.244 1554 N HA -0.131 4.609 4.740 0.000 0.000 0.183 1554 N C 1.854 177.246 175.510 -0.197 0.000 1.016 1554 N CA 1.144 54.110 53.050 -0.140 0.000 0.866 1554 N CB -0.395 37.996 38.487 -0.160 0.000 0.980 1554 N HN 0.304 nan 8.380 nan 0.000 0.430 1555 R N 0.813 121.174 120.500 -0.232 0.000 2.075 1555 R HA 0.013 4.354 4.340 0.000 0.000 0.232 1555 R C 1.912 178.144 176.300 -0.114 0.000 1.126 1555 R CA 1.302 57.269 56.100 -0.221 0.000 0.963 1555 R CB -0.147 30.042 30.300 -0.184 0.000 0.858 1555 R HN 0.148 nan 8.270 nan 0.000 0.435 1556 A N 0.773 123.545 122.820 -0.079 0.000 1.933 1556 A HA -0.155 4.165 4.320 0.000 0.000 0.218 1556 A C 2.030 179.582 177.584 -0.052 0.000 1.175 1556 A CA 1.059 53.065 52.037 -0.051 0.000 0.628 1556 A CB -0.322 18.656 19.000 -0.036 0.000 0.814 1556 A HN 0.386 nan 8.150 nan 0.000 0.444 1557 Q N -0.317 119.445 119.800 -0.063 0.000 2.050 1557 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 1557 Q C 2.467 178.432 176.000 -0.057 0.000 0.980 1557 Q CA 1.876 57.646 55.803 -0.056 0.000 0.840 1557 Q CB -0.859 27.844 28.738 -0.059 0.000 0.898 1557 Q HN 0.777 nan 8.270 nan 0.000 0.424 1558 C N 0.411 119.664 119.300 -0.077 0.000 2.429 1558 C HA -0.099 4.362 4.460 0.000 0.000 0.277 1558 C C 2.761 177.723 174.990 -0.047 0.000 1.262 1558 C CA 0.616 59.594 59.018 -0.065 0.000 1.733 1558 C CB -1.002 26.688 27.740 -0.083 0.000 2.010 1558 C HN 0.454 nan 8.230 nan 0.000 0.483 1559 R N 2.041 122.514 120.500 -0.046 0.000 2.094 1559 R HA -0.119 4.221 4.340 0.000 0.000 0.239 1559 R C 2.260 178.544 176.300 -0.025 0.000 1.137 1559 R CA 2.299 58.380 56.100 -0.031 0.000 0.943 1559 R CB -0.986 29.298 30.300 -0.027 0.000 0.850 1559 R HN 0.433 nan 8.270 nan 0.000 0.433 1560 A N 0.406 123.210 122.820 -0.027 0.000 1.884 1560 A HA -0.212 4.109 4.320 0.000 0.000 0.219 1560 A C 2.438 180.009 177.584 -0.021 0.000 1.197 1560 A CA 2.519 54.542 52.037 -0.023 0.000 0.637 1560 A CB -1.473 17.512 19.000 -0.024 0.000 0.827 1560 A HN 0.567 nan 8.150 nan 0.000 0.450 1561 A N -0.641 122.165 122.820 -0.023 0.000 1.997 1561 A HA -0.184 4.136 4.320 0.000 0.000 0.221 1561 A C 2.403 179.978 177.584 -0.015 0.000 1.172 1561 A CA 2.825 54.850 52.037 -0.019 0.000 0.645 1561 A CB -1.509 17.477 19.000 -0.022 0.000 0.813 1561 A HN 0.995 nan 8.150 nan 0.000 0.454 1562 T N -2.680 111.865 114.554 -0.016 0.000 2.867 1562 T HA 0.147 4.497 4.350 0.000 0.000 0.268 1562 T C 1.880 176.574 174.700 -0.010 0.000 1.057 1562 T CA 1.542 63.635 62.100 -0.012 0.000 1.136 1562 T CB -0.489 68.371 68.868 -0.013 0.000 0.874 1562 T HN 0.592 nan 8.240 nan 0.000 0.466 1563 A N 3.157 125.970 122.820 -0.012 0.000 1.877 1563 A HA 0.092 4.412 4.320 0.000 0.000 0.216 1563 A C 0.617 178.194 177.584 -0.012 0.000 1.186 1563 A CA 1.296 53.326 52.037 -0.012 0.000 0.620 1563 A CB -1.517 17.476 19.000 -0.013 0.000 0.822 1563 A HN 0.541 nan 8.150 nan 0.000 0.443 1564 P HA -0.127 nan 4.420 nan 0.000 0.216 1564 P C 1.686 178.980 177.300 -0.010 0.000 1.153 1564 P CA 0.846 63.938 63.100 -0.013 0.000 0.848 1564 P CB -0.190 31.502 31.700 -0.013 0.000 0.787 1565 L N -0.134 121.086 121.223 -0.005 0.000 1.990 1565 L HA -0.158 4.182 4.340 0.000 0.000 0.213 1565 L C 2.524 179.398 176.870 0.006 0.000 1.072 1565 L CA 1.719 56.562 54.840 0.004 0.000 0.755 1565 L CB -1.599 40.465 42.059 0.007 0.000 0.889 1565 L HN -0.148 nan 8.230 nan 0.000 0.432 1566 L N -0.899 120.325 121.223 0.002 0.000 2.046 1566 L HA -0.255 4.085 4.340 0.000 0.000 0.208 1566 L C 2.533 179.398 176.870 -0.008 0.000 1.077 1566 L CA 1.848 56.689 54.840 0.002 0.000 0.747 1566 L CB -0.375 41.683 42.059 -0.002 0.000 0.896 1566 L HN 0.486 nan 8.230 nan 0.000 0.432 1567 E N -0.337 119.855 120.200 -0.014 0.000 2.118 1567 E HA -0.269 4.081 4.350 0.000 0.000 0.195 1567 E C 2.035 178.616 176.600 -0.032 0.000 0.992 1567 E CA 1.215 57.600 56.400 -0.024 0.000 0.804 1567 E CB -0.072 29.613 29.700 -0.025 0.000 0.741 1567 E HN 0.674 nan 8.360 nan 0.000 0.458 1568 A N 0.091 122.897 122.820 -0.023 0.000 1.929 1568 A HA -0.082 4.238 4.320 0.000 0.000 0.216 1568 A C 2.312 179.882 177.584 -0.023 0.000 1.176 1568 A CA 1.011 53.032 52.037 -0.026 0.000 0.628 1568 A CB -0.275 18.719 19.000 -0.010 0.000 0.816 1568 A HN 0.198 nan 8.150 nan 0.000 0.444 1569 V N 0.534 120.448 119.914 0.000 0.000 2.453 1569 V HA -0.178 3.942 4.120 0.000 0.000 0.247 1569 V C 2.009 178.065 176.094 -0.064 0.000 1.048 1569 V CA 2.061 64.370 62.300 0.015 0.000 1.049 1569 V CB -0.699 31.169 31.823 0.074 0.000 0.672 1569 V HN 0.463 nan 8.190 nan 0.000 0.457 1570 D N 0.447 120.814 120.400 -0.054 0.000 2.117 1570 D HA -0.125 4.515 4.640 0.000 0.000 0.198 1570 D C 2.015 178.256 176.300 -0.099 0.000 0.982 1570 D CA 1.039 54.993 54.000 -0.077 0.000 0.828 1570 D CB -0.398 40.375 40.800 -0.045 0.000 0.967 1570 D HN 0.351 nan 8.370 nan 0.000 0.464 1571 N N 0.591 119.236 118.700 -0.093 0.000 2.205 1571 N HA -0.103 4.637 4.740 0.000 0.000 0.186 1571 N C 1.795 177.224 175.510 -0.134 0.000 1.015 1571 N CA 0.310 53.293 53.050 -0.112 0.000 0.862 1571 N CB -0.180 38.226 38.487 -0.134 0.000 0.986 1571 N HN 0.269 nan 8.380 nan 0.000 0.429 1572 L N 0.416 121.542 121.223 -0.162 0.000 2.115 1572 L HA -0.074 4.266 4.340 0.000 0.000 0.200 1572 L C 2.248 178.831 176.870 -0.478 0.000 1.094 1572 L CA 1.043 55.769 54.840 -0.190 0.000 0.769 1572 L CB -0.781 41.220 42.059 -0.096 0.000 0.931 1572 L HN 0.207 nan 8.230 nan 0.000 0.455 1573 S N 0.699 115.900 115.700 -0.831 0.000 2.381 1573 S HA -0.294 4.176 4.470 0.000 0.000 0.230 1573 S C 2.022 176.253 174.600 -0.615 0.000 1.052 1573 S CA 1.511 58.897 58.200 -1.357 0.000 1.068 1573 S CB -0.957 61.849 63.200 -0.657 0.000 0.918 1573 S HN 0.549 nan 8.310 nan 0.000 0.448 1574 A N 1.594 124.238 122.820 -0.294 0.000 1.841 1574 A HA 0.085 4.405 4.320 0.000 0.000 0.214 1574 A C 2.088 179.619 177.584 -0.089 0.000 1.195 1574 A CA 1.515 53.471 52.037 -0.135 0.000 0.611 1574 A CB -1.280 17.680 19.000 -0.066 0.000 0.835 1574 A HN 0.710 nan 8.150 nan 0.000 0.443 1575 F N 0.937 120.748 119.950 -0.232 0.000 2.333 1575 F HA 0.024 4.551 4.527 0.000 0.000 0.300 1575 F C 2.231 177.880 175.800 -0.251 0.000 1.083 1575 F CA 1.018 58.891 58.000 -0.212 0.000 1.395 1575 F CB -0.107 38.741 39.000 -0.254 0.000 1.056 1575 F HN 0.243 nan 8.300 nan 0.000 0.529 1576 A N 0.224 122.844 122.820 -0.333 0.000 1.873 1576 A HA -0.145 4.175 4.320 0.000 0.000 0.215 1576 A C 2.088 179.560 177.584 -0.186 0.000 1.186 1576 A CA 1.369 53.201 52.037 -0.341 0.000 0.616 1576 A CB -1.322 17.733 19.000 0.092 0.000 0.823 1576 A HN 0.456 nan 8.150 nan 0.000 0.442 1577 S N 0.701 116.371 115.700 -0.050 0.000 2.942 1577 S HA 0.095 4.565 4.470 0.000 0.000 0.244 1577 S C 0.312 174.939 174.600 0.046 0.000 1.011 1577 S CA -0.490 57.745 58.200 0.058 0.000 1.102 1577 S CB -0.950 62.297 63.200 0.078 0.000 0.812 1577 S HN 0.436 nan 8.310 nan 0.000 0.486 1578 N N 3.326 122.052 118.700 0.043 0.000 2.255 1578 N HA 0.315 5.055 4.740 0.000 0.000 0.260 1578 N C -1.701 173.866 175.510 0.094 0.000 1.288 1578 N CA -1.303 51.791 53.050 0.075 0.000 0.894 1578 N CB -0.636 37.899 38.487 0.081 0.000 1.033 1578 N HN 0.210 nan 8.380 nan 0.000 0.477 1579 P HA 0.036 nan 4.420 nan 0.000 0.330 1579 P C -0.351 176.829 177.300 -0.201 0.000 1.434 1579 P CA 0.026 63.088 63.100 -0.063 0.000 0.873 1579 P CB -0.264 31.384 31.700 -0.085 0.000 2.146 1580 E N -0.829 119.180 120.200 -0.319 0.000 2.079 1580 E HA -0.265 4.085 4.350 0.000 0.000 0.212 1580 E C -0.377 175.802 176.600 -0.703 0.000 1.475 1580 E CA 0.985 57.086 56.400 -0.499 0.000 0.693 1580 E CB -1.796 27.551 29.700 -0.588 0.000 1.094 1580 E HN 0.291 nan 8.360 nan 0.000 0.336 1581 F N -0.873 119.075 119.950 -0.002 0.000 2.839 1581 F HA 0.183 4.710 4.527 0.000 0.000 0.355 1581 F C 1.090 176.904 175.800 0.023 0.000 0.904 1581 F CA -0.313 57.700 58.000 0.021 0.000 1.098 1581 F CB 0.102 39.114 39.000 0.020 0.000 0.982 1581 F HN -0.149 nan 8.300 nan 0.000 0.600 1582 S N 1.677 117.476 115.700 0.165 0.000 2.563 1582 S HA 0.206 4.676 4.470 0.000 0.000 0.284 1582 S C 0.536 175.175 174.600 0.066 0.000 1.331 1582 S CA -0.231 58.028 58.200 0.099 0.000 1.047 1582 S CB 0.347 63.584 63.200 0.061 0.000 0.859 1582 S HN 0.305 nan 8.310 nan 0.000 0.514 1583 S N 1.670 117.401 115.700 0.051 0.000 2.558 1583 S HA 0.175 4.645 4.470 0.000 0.000 0.287 1583 S C -0.201 174.414 174.600 0.024 0.000 1.321 1583 S CA -0.850 57.369 58.200 0.032 0.000 1.048 1583 S CB 0.069 63.279 63.200 0.018 0.000 0.844 1583 S HN 0.425 nan 8.310 nan 0.000 0.512 1584 V N 4.858 124.785 119.914 0.022 0.000 2.347 1584 V HA 0.394 4.514 4.120 0.000 0.000 0.280 1584 V C -1.872 174.240 176.094 0.031 0.000 1.021 1584 V CA -2.020 60.291 62.300 0.019 0.000 0.847 1584 V CB 0.978 32.809 31.823 0.013 0.000 0.990 1584 V HN 0.815 nan 8.190 nan 0.000 0.444 1585 P HA 0.145 nan 4.420 nan 0.000 0.269 1585 P C -0.080 177.260 177.300 0.068 0.000 1.215 1585 P CA -0.019 63.110 63.100 0.048 0.000 0.780 1585 P CB 0.782 32.505 31.700 0.039 0.000 0.898 1586 A N 3.002 125.893 122.820 0.119 0.000 2.555 1586 A HA -0.041 4.279 4.320 0.000 0.000 0.233 1586 A C 0.339 177.957 177.584 0.058 0.000 1.060 1586 A CA 0.401 52.506 52.037 0.113 0.000 0.759 1586 A CB -0.556 18.555 19.000 0.185 0.000 0.995 1586 A HN 0.579 nan 8.150 nan 0.000 0.506 1587 Q N 0.812 120.629 119.800 0.027 0.000 2.425 1587 Q HA 0.498 4.839 4.340 0.000 0.000 0.254 1587 Q C -1.194 174.803 176.000 -0.006 0.000 1.032 1587 Q CA 0.050 55.860 55.803 0.012 0.000 0.798 1587 Q CB 1.336 30.078 28.738 0.006 0.000 1.210 1587 Q HN 0.695 nan 8.270 nan 0.000 0.491 1588 I N 2.093 122.660 120.570 -0.006 0.000 2.336 1588 I HA 0.196 4.366 4.170 0.000 0.000 0.292 1588 I C 0.607 176.714 176.117 -0.017 0.000 0.991 1588 I CA -0.427 60.859 61.300 -0.024 0.000 1.227 1588 I CB 1.633 39.618 38.000 -0.025 0.000 1.366 1588 I HN 0.542 nan 8.210 nan 0.000 0.466 1589 S N 6.129 121.815 115.700 -0.024 0.000 2.600 1589 S HA 0.283 4.753 4.470 0.000 0.000 0.265 1589 S C -1.849 172.741 174.600 -0.016 0.000 1.325 1589 S CA -0.970 57.219 58.200 -0.019 0.000 1.002 1589 S CB 0.859 64.045 63.200 -0.023 0.000 0.921 1589 S HN 0.387 nan 8.310 nan 0.000 0.554 1590 P HA -0.112 nan 4.420 nan 0.000 0.216 1590 P C 0.998 178.290 177.300 -0.012 0.000 1.150 1590 P CA 1.387 64.481 63.100 -0.009 0.000 0.843 1590 P CB -0.017 31.678 31.700 -0.007 0.000 0.787 1591 E N -0.750 119.440 120.200 -0.016 0.000 2.072 1591 E HA -0.063 4.287 4.350 0.000 0.000 0.191 1591 E C 2.329 178.914 176.600 -0.025 0.000 0.985 1591 E CA 1.442 57.831 56.400 -0.019 0.000 0.801 1591 E CB -1.515 28.172 29.700 -0.022 0.000 0.750 1591 E HN 0.201 nan 8.360 nan 0.000 0.452 1592 G N 1.202 109.984 108.800 -0.032 0.000 2.476 1592 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 1592 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 1592 G C 1.611 176.494 174.900 -0.030 0.000 1.164 1592 G CA 0.670 45.746 45.100 -0.041 0.000 0.768 1592 G HN 0.053 nan 8.290 nan 0.000 0.560 1593 R N 0.639 121.128 120.500 -0.019 0.000 2.081 1593 R HA 0.021 4.361 4.340 0.000 0.000 0.235 1593 R C 2.940 179.237 176.300 -0.004 0.000 1.131 1593 R CA 1.317 57.413 56.100 -0.007 0.000 0.960 1593 R CB -0.977 29.322 30.300 -0.002 0.000 0.856 1593 R HN 0.374 nan 8.270 nan 0.000 0.436 1594 A N 0.800 123.616 122.820 -0.007 0.000 1.968 1594 A HA 0.024 4.344 4.320 0.000 0.000 0.217 1594 A C 2.310 179.891 177.584 -0.005 0.000 1.169 1594 A CA 1.481 53.515 52.037 -0.004 0.000 0.638 1594 A CB -0.359 18.637 19.000 -0.005 0.000 0.812 1594 A HN 0.328 nan 8.150 nan 0.000 0.446 1595 A N 0.480 123.292 122.820 -0.013 0.000 1.929 1595 A HA -0.065 4.255 4.320 0.000 0.000 0.216 1595 A C 2.246 179.827 177.584 -0.005 0.000 1.176 1595 A CA 1.684 53.712 52.037 -0.015 0.000 0.628 1595 A CB -0.608 18.373 19.000 -0.031 0.000 0.816 1595 A HN 0.771 nan 8.150 nan 0.000 0.444 1596 M N -1.724 117.874 119.600 -0.003 0.000 2.506 1596 M HA 0.092 4.572 4.480 0.000 0.000 0.260 1596 M C 1.554 177.867 176.300 0.021 0.000 1.104 1596 M CA 2.011 57.319 55.300 0.012 0.000 1.112 1596 M CB -0.366 32.240 32.600 0.010 0.000 1.401 1596 M HN 0.209 nan 8.290 nan 0.000 0.473 1597 E N 2.104 122.314 120.200 0.016 0.000 2.058 1597 E HA -0.092 4.258 4.350 0.000 0.000 0.194 1597 E C -0.767 175.848 176.600 0.025 0.000 0.997 1597 E CA 1.977 58.388 56.400 0.019 0.000 0.801 1597 E CB -1.411 28.297 29.700 0.014 0.000 0.746 1597 E HN 0.371 nan 8.360 nan 0.000 0.450 1598 P HA -0.100 nan 4.420 nan 0.000 0.218 1598 P C 1.222 178.546 177.300 0.040 0.000 1.149 1598 P CA 1.184 64.302 63.100 0.029 0.000 0.817 1598 P CB -0.048 31.668 31.700 0.027 0.000 0.785 1599 I N -1.246 119.349 120.570 0.041 0.000 2.179 1599 I HA -0.201 3.969 4.170 0.000 0.000 0.242 1599 I C 2.269 178.420 176.117 0.055 0.000 1.088 1599 I CA 1.323 62.652 61.300 0.048 0.000 1.357 1599 I CB -0.771 37.253 38.000 0.040 0.000 1.051 1599 I HN -0.186 nan 8.210 nan 0.000 0.409 1600 V N 0.571 120.512 119.914 0.046 0.000 2.358 1600 V HA -0.254 3.866 4.120 0.000 0.000 0.246 1600 V C 2.323 178.444 176.094 0.045 0.000 1.047 1600 V CA 1.723 64.051 62.300 0.046 0.000 1.035 1600 V CB -0.377 31.469 31.823 0.039 0.000 0.658 1600 V HN 0.357 nan 8.190 nan 0.000 0.452 1601 I N 0.900 121.494 120.570 0.039 0.000 2.353 1601 I HA -0.147 4.023 4.170 0.000 0.000 0.248 1601 I C 2.689 178.829 176.117 0.037 0.000 1.119 1601 I CA 1.838 63.158 61.300 0.033 0.000 1.417 1601 I CB -0.503 37.513 38.000 0.026 0.000 1.078 1601 I HN 0.425 nan 8.210 nan 0.000 0.421 1602 S N 1.133 116.862 115.700 0.048 0.000 2.368 1602 S HA -0.145 4.325 4.470 0.000 0.000 0.225 1602 S C 2.266 176.905 174.600 0.064 0.000 1.030 1602 S CA 1.072 59.305 58.200 0.055 0.000 0.999 1602 S CB -1.188 62.052 63.200 0.066 0.000 0.844 1602 S HN 0.498 nan 8.310 nan 0.000 0.459 1603 A N 2.300 125.180 122.820 0.100 0.000 1.902 1603 A HA -0.032 4.288 4.320 0.000 0.000 0.217 1603 A C 2.261 179.875 177.584 0.050 0.000 1.181 1603 A CA 1.544 53.651 52.037 0.116 0.000 0.623 1603 A CB -0.593 18.507 19.000 0.166 0.000 0.818 1603 A HN 0.639 nan 8.150 nan 0.000 0.443 1604 K N -0.856 119.568 120.400 0.039 0.000 2.057 1604 K HA -0.094 4.226 4.320 0.000 0.000 0.207 1604 K C 2.062 178.663 176.600 0.002 0.000 1.049 1604 K CA 1.780 58.078 56.287 0.018 0.000 0.931 1604 K CB -0.441 32.070 32.500 0.018 0.000 0.714 1604 K HN 0.437 nan 8.250 nan 0.000 0.440 1605 T N 1.763 116.320 114.554 0.005 0.000 2.821 1605 T HA -0.129 4.221 4.350 0.000 0.000 0.267 1605 T C 1.710 176.398 174.700 -0.021 0.000 1.046 1605 T CA 1.149 63.250 62.100 0.000 0.000 1.139 1605 T CB -0.099 68.775 68.868 0.010 0.000 0.871 1605 T HN 0.257 nan 8.240 nan 0.000 0.454 1606 M N 0.720 120.294 119.600 -0.043 0.000 2.065 1606 M HA -0.097 4.383 4.480 0.000 0.000 0.259 1606 M C 2.029 178.269 176.300 -0.101 0.000 1.069 1606 M CA 1.778 57.016 55.300 -0.104 0.000 1.110 1606 M CB -0.358 32.119 32.600 -0.205 0.000 1.328 1606 M HN 0.221 nan 8.290 nan 0.000 0.405 1607 L N -0.043 121.134 121.223 -0.077 0.000 2.017 1607 L HA -0.237 4.103 4.340 0.000 0.000 0.208 1607 L C 2.504 179.332 176.870 -0.069 0.000 1.073 1607 L CA 1.924 56.722 54.840 -0.069 0.000 0.745 1607 L CB -0.853 41.183 42.059 -0.038 0.000 0.894 1607 L HN 0.463 nan 8.230 nan 0.000 0.432 1608 E N -0.066 120.103 120.200 -0.051 0.000 2.058 1608 E HA -0.219 4.131 4.350 0.000 0.000 0.194 1608 E C 2.167 178.709 176.600 -0.096 0.000 0.997 1608 E CA 1.763 58.129 56.400 -0.056 0.000 0.801 1608 E CB 0.092 29.778 29.700 -0.023 0.000 0.746 1608 E HN 0.331 nan 8.360 nan 0.000 0.450 1609 S N -0.045 115.615 115.700 -0.067 0.000 2.414 1609 S HA -0.009 4.461 4.470 0.000 0.000 0.227 1609 S C 1.931 176.436 174.600 -0.157 0.000 1.022 1609 S CA 0.617 58.775 58.200 -0.069 0.000 0.958 1609 S CB -0.031 63.207 63.200 0.062 0.000 0.797 1609 S HN 0.480 nan 8.310 nan 0.000 0.493 1610 A N 1.661 124.411 122.820 -0.117 0.000 1.933 1610 A HA 0.039 4.359 4.320 0.000 0.000 0.218 1610 A C 2.292 179.787 177.584 -0.148 0.000 1.175 1610 A CA 1.726 53.692 52.037 -0.117 0.000 0.628 1610 A CB -1.360 17.576 19.000 -0.108 0.000 0.814 1610 A HN 0.511 nan 8.150 nan 0.000 0.444 1611 G N -0.623 108.082 108.800 -0.159 0.000 2.418 1611 G HA2 0.031 3.991 3.960 0.000 0.000 0.217 1611 G HA3 0.031 3.991 3.960 0.000 0.000 0.217 1611 G C 1.508 176.266 174.900 -0.237 0.000 1.158 1611 G CA 1.219 46.225 45.100 -0.156 0.000 0.771 1611 G HN 0.700 nan 8.290 nan 0.000 0.545 1612 G N 0.619 109.149 108.800 -0.450 0.000 2.408 1612 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 1612 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 1612 G C 1.742 176.353 174.900 -0.482 0.000 1.150 1612 G CA 0.755 45.377 45.100 -0.796 0.000 0.776 1612 G HN 0.429 nan 8.290 nan 0.000 0.542 1613 L N -0.020 121.012 121.223 -0.318 0.000 2.027 1613 L HA 0.055 4.395 4.340 0.000 0.000 0.206 1613 L C 2.747 179.600 176.870 -0.028 0.000 1.074 1613 L CA 1.105 55.922 54.840 -0.037 0.000 0.745 1613 L CB -0.155 41.908 42.059 0.007 0.000 0.898 1613 L HN 0.209 nan 8.230 nan 0.000 0.433 1614 I N -0.455 120.075 120.570 -0.067 0.000 2.252 1614 I HA -0.292 3.878 4.170 0.000 0.000 0.245 1614 I C 2.541 178.648 176.117 -0.018 0.000 1.102 1614 I CA 1.100 62.377 61.300 -0.038 0.000 1.385 1614 I CB -0.171 37.787 38.000 -0.070 0.000 1.064 1614 I HN 0.378 nan 8.210 nan 0.000 0.414 1615 Q N 0.674 120.442 119.800 -0.053 0.000 2.124 1615 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 1615 Q C 2.025 178.010 176.000 -0.026 0.000 0.977 1615 Q CA 2.322 58.102 55.803 -0.038 0.000 0.850 1615 Q CB -0.164 28.539 28.738 -0.058 0.000 0.901 1615 Q HN 0.386 nan 8.270 nan 0.000 0.429 1616 T N -0.123 114.415 114.554 -0.027 0.000 2.812 1616 T HA 0.015 4.365 4.350 0.000 0.000 0.264 1616 T C 1.735 176.374 174.700 -0.102 0.000 1.042 1616 T CA 0.962 63.032 62.100 -0.050 0.000 1.140 1616 T CB -0.459 68.408 68.868 -0.002 0.000 0.870 1616 T HN 0.447 nan 8.240 nan 0.000 0.445 1617 A N 1.972 124.773 122.820 -0.032 0.000 1.940 1617 A HA -0.134 4.186 4.320 0.000 0.000 0.219 1617 A C 2.279 179.921 177.584 0.096 0.000 1.176 1617 A CA 1.726 53.790 52.037 0.044 0.000 0.631 1617 A CB -0.630 18.522 19.000 0.253 0.000 0.814 1617 A HN 0.414 nan 8.150 nan 0.000 0.446 1618 R N -0.397 120.185 120.500 0.136 0.000 2.105 1618 R HA -0.149 4.191 4.340 0.000 0.000 0.239 1618 R C 2.132 178.410 176.300 -0.037 0.000 1.135 1618 R CA 1.552 57.724 56.100 0.119 0.000 0.967 1618 R CB -0.328 30.015 30.300 0.072 0.000 0.861 1618 R HN 0.466 nan 8.270 nan 0.000 0.442 1619 A N 0.529 123.298 122.820 -0.084 0.000 1.935 1619 A HA 0.020 4.340 4.320 0.000 0.000 0.214 1619 A C 2.108 179.577 177.584 -0.192 0.000 1.178 1619 A CA 0.513 52.478 52.037 -0.120 0.000 0.640 1619 A CB -0.229 18.703 19.000 -0.112 0.000 0.825 1619 A HN 0.309 nan 8.150 nan 0.000 0.447 1620 L N -0.557 120.495 121.223 -0.286 0.000 2.201 1620 L HA -0.132 4.208 4.340 0.000 0.000 0.212 1620 L C 2.936 179.622 176.870 -0.308 0.000 1.105 1620 L CA 0.801 55.408 54.840 -0.388 0.000 0.775 1620 L CB -0.353 41.262 42.059 -0.740 0.000 0.913 1620 L HN 0.431 nan 8.230 nan 0.000 0.440 1621 A N -0.640 121.929 122.820 -0.418 0.000 2.015 1621 A HA -0.100 4.220 4.320 0.000 0.000 0.219 1621 A C 2.262 179.671 177.584 -0.291 0.000 1.163 1621 A CA 1.447 53.141 52.037 -0.572 0.000 0.646 1621 A CB -0.436 17.881 19.000 -1.139 0.000 0.806 1621 A HN 0.212 nan 8.150 nan 0.000 0.448 1622 V N -0.070 119.725 119.914 -0.198 0.000 2.500 1622 V HA 0.017 4.137 4.120 0.000 0.000 0.243 1622 V C 0.675 176.723 176.094 -0.076 0.000 1.039 1622 V CA 1.505 63.742 62.300 -0.104 0.000 1.053 1622 V CB -0.468 31.312 31.823 -0.071 0.000 0.695 1622 V HN 0.654 nan 8.190 nan 0.000 0.463 1623 N N 0.401 119.049 118.700 -0.088 0.000 2.609 1623 N HA 0.254 4.994 4.740 0.000 0.000 0.268 1623 N C -2.475 173.007 175.510 -0.046 0.000 1.106 1623 N CA -1.681 51.339 53.050 -0.050 0.000 0.823 1623 N CB 2.020 40.484 38.487 -0.039 0.000 1.263 1623 N HN 0.052 nan 8.380 nan 0.000 0.533 1624 P HA 0.158 nan 4.420 nan 0.000 0.257 1624 P C -0.366 177.104 177.300 0.283 0.000 1.281 1624 P CA 0.110 63.309 63.100 0.165 0.000 0.826 1624 P CB 0.196 32.071 31.700 0.291 0.000 1.237 1625 R N 1.392 121.975 120.500 0.139 0.000 2.825 1625 R HA 0.290 4.630 4.340 0.000 0.000 0.261 1625 R C -0.384 175.984 176.300 0.113 0.000 1.341 1625 R CA -0.020 56.165 56.100 0.141 0.000 1.353 1625 R CB -0.132 30.212 30.300 0.073 0.000 1.191 1625 R HN -0.087 nan 8.270 nan 0.000 0.590 1626 D N 2.106 122.613 120.400 0.178 0.000 2.474 1626 D HA 0.125 4.766 4.640 0.000 0.000 0.234 1626 D C -2.217 174.183 176.300 0.168 0.000 1.323 1626 D CA -1.808 52.240 54.000 0.081 0.000 0.915 1626 D CB 1.602 42.372 40.800 -0.050 0.000 1.487 1626 D HN 0.053 nan 8.370 nan 0.000 0.524 1627 P HA -0.015 nan 4.420 nan 0.000 0.216 1627 P C -1.566 175.814 177.300 0.134 0.000 1.150 1627 P CA 0.844 64.062 63.100 0.197 0.000 0.837 1627 P CB -0.218 31.551 31.700 0.114 0.000 0.786 1628 P HA -0.087 nan 4.420 nan 0.000 0.215 1628 P C 1.562 178.867 177.300 0.010 0.000 1.153 1628 P CA 1.517 64.635 63.100 0.030 0.000 0.853 1628 P CB -0.264 31.440 31.700 0.008 0.000 0.788 1629 R N -2.061 118.414 120.500 -0.043 0.000 2.115 1629 R HA -0.078 4.262 4.340 0.000 0.000 0.226 1629 R C 2.298 178.511 176.300 -0.145 0.000 1.100 1629 R CA 1.263 57.284 56.100 -0.133 0.000 0.980 1629 R CB -0.658 29.501 30.300 -0.235 0.000 0.875 1629 R HN 0.304 nan 8.270 nan 0.000 0.445 1630 W N 0.198 121.503 121.300 0.008 0.000 2.358 1630 W HA -0.156 4.505 4.660 0.000 0.000 0.303 1630 W C 2.747 179.267 176.519 0.001 0.000 1.208 1630 W CA 1.046 58.397 57.345 0.010 0.000 1.274 1630 W CB -0.425 29.038 29.460 0.005 0.000 1.138 1630 W HN 0.056 nan 8.180 nan 0.000 0.515 1631 S N 0.075 115.902 115.700 0.212 0.000 2.368 1631 S HA -0.180 4.290 4.470 0.000 0.000 0.225 1631 S C 1.798 176.417 174.600 0.032 0.000 1.030 1631 S CA 1.661 59.923 58.200 0.104 0.000 0.999 1631 S CB -0.622 62.614 63.200 0.061 0.000 0.844 1631 S HN 0.006 nan 8.310 nan 0.000 0.459 1632 V N 2.041 121.953 119.914 -0.003 0.000 2.295 1632 V HA -0.146 3.975 4.120 0.000 0.000 0.246 1632 V C 2.381 178.428 176.094 -0.079 0.000 1.049 1632 V CA 1.973 64.218 62.300 -0.092 0.000 1.024 1632 V CB -0.708 31.078 31.823 -0.060 0.000 0.648 1632 V HN 0.545 nan 8.190 nan 0.000 0.447 1633 L N 0.255 121.510 121.223 0.053 0.000 2.012 1633 L HA -0.182 4.159 4.340 0.000 0.000 0.210 1633 L C 2.512 179.469 176.870 0.144 0.000 1.073 1633 L CA 2.035 56.958 54.840 0.139 0.000 0.748 1633 L CB -0.521 41.604 42.059 0.110 0.000 0.891 1633 L HN 0.297 nan 8.230 nan 0.000 0.431 1634 A N -0.305 122.599 122.820 0.139 0.000 1.933 1634 A HA -0.126 4.194 4.320 0.000 0.000 0.218 1634 A C 2.297 179.908 177.584 0.044 0.000 1.175 1634 A CA 1.544 53.645 52.037 0.107 0.000 0.628 1634 A CB -1.483 17.577 19.000 0.100 0.000 0.814 1634 A HN 0.562 nan 8.150 nan 0.000 0.444 1635 G N -1.267 107.517 108.800 -0.025 0.000 2.418 1635 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 1635 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 1635 G C 1.519 176.382 174.900 -0.062 0.000 1.158 1635 G CA 1.139 46.187 45.100 -0.086 0.000 0.771 1635 G HN 0.641 nan 8.290 nan 0.000 0.545 1636 H N 0.307 119.389 119.070 0.019 0.000 2.326 1636 H HA -0.027 4.529 4.556 0.000 0.000 0.301 1636 H C 2.938 178.270 175.328 0.006 0.000 1.081 1636 H CA 1.377 57.429 56.048 0.007 0.000 1.334 1636 H CB -0.647 29.117 29.762 0.002 0.000 1.385 1636 H HN 0.380 nan 8.280 nan 0.000 0.504 1637 S N 0.509 116.299 115.700 0.151 0.000 2.359 1637 S HA -0.165 4.305 4.470 0.000 0.000 0.224 1637 S C 2.231 176.863 174.600 0.053 0.000 1.035 1637 S CA 1.108 59.361 58.200 0.088 0.000 1.018 1637 S CB 0.039 63.295 63.200 0.093 0.000 0.876 1637 S HN 0.373 nan 8.310 nan 0.000 0.448 1638 R N -0.135 120.393 120.500 0.046 0.000 2.091 1638 R HA -0.065 4.275 4.340 0.000 0.000 0.238 1638 R C 2.458 178.772 176.300 0.024 0.000 1.136 1638 R CA 1.910 58.027 56.100 0.028 0.000 0.959 1638 R CB -0.972 29.339 30.300 0.019 0.000 0.856 1638 R HN 0.425 nan 8.270 nan 0.000 0.437 1639 T N 0.649 115.224 114.554 0.034 0.000 2.821 1639 T HA -0.075 4.275 4.350 0.000 0.000 0.267 1639 T C 1.992 176.699 174.700 0.011 0.000 1.046 1639 T CA 1.079 63.197 62.100 0.030 0.000 1.139 1639 T CB -0.105 68.794 68.868 0.053 0.000 0.871 1639 T HN -0.002 nan 8.240 nan 0.000 0.454 1640 V N 1.469 121.386 119.914 0.006 0.000 2.358 1640 V HA -0.157 3.964 4.120 0.000 0.000 0.246 1640 V C 2.694 178.757 176.094 -0.052 0.000 1.047 1640 V CA 1.795 64.070 62.300 -0.043 0.000 1.035 1640 V CB -0.683 31.113 31.823 -0.046 0.000 0.658 1640 V HN 0.440 nan 8.190 nan 0.000 0.452 1641 S N -0.134 115.553 115.700 -0.020 0.000 2.368 1641 S HA -0.193 4.277 4.470 0.000 0.000 0.224 1641 S C 1.719 176.318 174.600 -0.002 0.000 1.029 1641 S CA 1.493 59.686 58.200 -0.012 0.000 0.988 1641 S CB -0.391 62.812 63.200 0.005 0.000 0.838 1641 S HN 0.615 nan 8.310 nan 0.000 0.462 1642 D N 1.637 122.040 120.400 0.004 0.000 2.097 1642 D HA -0.034 4.606 4.640 0.000 0.000 0.195 1642 D C 2.197 178.505 176.300 0.013 0.000 0.989 1642 D CA 1.080 55.087 54.000 0.012 0.000 0.827 1642 D CB -0.649 40.159 40.800 0.013 0.000 0.966 1642 D HN 0.243 nan 8.370 nan 0.000 0.456 1643 S N 0.512 116.213 115.700 0.002 0.000 2.372 1643 S HA -0.167 4.303 4.470 0.000 0.000 0.227 1643 S C 2.206 176.819 174.600 0.022 0.000 1.044 1643 S CA 0.790 58.992 58.200 0.003 0.000 1.050 1643 S CB -0.296 62.889 63.200 -0.026 0.000 0.901 1643 S HN 0.270 nan 8.310 nan 0.000 0.447 1644 I N 1.145 121.710 120.570 -0.008 0.000 2.252 1644 I HA -0.179 3.991 4.170 0.000 0.000 0.245 1644 I C 2.404 178.588 176.117 0.112 0.000 1.102 1644 I CA 1.087 62.419 61.300 0.053 0.000 1.385 1644 I CB -0.248 37.725 38.000 -0.046 0.000 1.064 1644 I HN 0.215 nan 8.210 nan 0.000 0.414 1645 K N 1.015 121.452 120.400 0.063 0.000 2.020 1645 K HA -0.237 4.083 4.320 0.000 0.000 0.212 1645 K C 2.121 178.757 176.600 0.061 0.000 1.050 1645 K CA 1.652 57.974 56.287 0.058 0.000 0.929 1645 K CB -0.206 32.318 32.500 0.039 0.000 0.714 1645 K HN 0.272 nan 8.250 nan 0.000 0.443 1646 K N 0.645 121.078 120.400 0.055 0.000 2.063 1646 K HA -0.138 4.182 4.320 0.000 0.000 0.208 1646 K C 2.071 178.711 176.600 0.066 0.000 1.048 1646 K CA 0.927 57.245 56.287 0.052 0.000 0.928 1646 K CB -0.190 32.336 32.500 0.043 0.000 0.713 1646 K HN 0.049 nan 8.250 nan 0.000 0.442 1647 L N 1.769 123.051 121.223 0.099 0.000 2.017 1647 L HA -0.128 4.212 4.340 0.000 0.000 0.208 1647 L C 1.919 178.835 176.870 0.077 0.000 1.073 1647 L CA 1.602 56.511 54.840 0.115 0.000 0.745 1647 L CB -0.735 41.462 42.059 0.231 0.000 0.894 1647 L HN 0.194 nan 8.230 nan 0.000 0.432 1648 I N -0.405 120.220 120.570 0.092 0.000 2.127 1648 I HA -0.348 3.822 4.170 0.000 0.000 0.241 1648 I C 2.309 178.450 176.117 0.040 0.000 1.075 1648 I CA 1.823 63.154 61.300 0.051 0.000 1.334 1648 I CB -0.586 37.455 38.000 0.068 0.000 1.040 1648 I HN 0.252 nan 8.210 nan 0.000 0.405 1649 T N -0.481 114.101 114.554 0.046 0.000 2.699 1649 T HA -0.249 4.101 4.350 0.000 0.000 0.268 1649 T C 2.077 176.799 174.700 0.037 0.000 1.036 1649 T CA 2.005 64.129 62.100 0.040 0.000 1.147 1649 T CB -0.321 68.569 68.868 0.037 0.000 0.862 1649 T HN 0.335 nan 8.240 nan 0.000 0.446 1650 S N 0.200 115.923 115.700 0.040 0.000 2.371 1650 S HA 0.035 4.505 4.470 0.000 0.000 0.224 1650 S C 2.126 176.756 174.600 0.050 0.000 1.029 1650 S CA 0.851 59.074 58.200 0.039 0.000 0.978 1650 S CB -0.345 62.879 63.200 0.040 0.000 0.833 1650 S HN 0.406 nan 8.310 nan 0.000 0.466 1651 M N 0.537 120.166 119.600 0.048 0.000 2.159 1651 M HA -0.069 4.411 4.480 0.000 0.000 0.263 1651 M C 2.373 178.734 176.300 0.101 0.000 1.063 1651 M CA 1.406 56.754 55.300 0.081 0.000 1.110 1651 M CB -0.299 32.267 32.600 -0.056 0.000 1.374 1651 M HN 0.247 nan 8.290 nan 0.000 0.411 1652 R N 0.085 120.617 120.500 0.054 0.000 2.115 1652 R HA -0.107 4.233 4.340 0.000 0.000 0.226 1652 R C 1.606 177.935 176.300 0.048 0.000 1.100 1652 R CA 1.105 57.241 56.100 0.059 0.000 0.980 1652 R CB -0.338 29.997 30.300 0.057 0.000 0.875 1652 R HN 0.328 nan 8.270 nan 0.000 0.445 1653 D N 0.755 121.175 120.400 0.034 0.000 2.144 1653 D HA -0.131 4.509 4.640 0.000 0.000 0.199 1653 D C 1.360 177.655 176.300 -0.009 0.000 0.984 1653 D CA 1.375 55.385 54.000 0.017 0.000 0.834 1653 D CB 0.080 40.889 40.800 0.013 0.000 0.955 1653 D HN 0.219 nan 8.370 nan 0.000 0.465 1654 K N 0.129 120.516 120.400 -0.022 0.000 2.356 1654 K HA 0.254 4.574 4.320 0.000 0.000 0.195 1654 K C 1.952 178.409 176.600 -0.238 0.000 1.037 1654 K CA 0.400 56.619 56.287 -0.114 0.000 1.014 1654 K CB 0.380 32.805 32.500 -0.125 0.000 0.815 1654 K HN -0.039 nan 8.250 nan 0.000 0.507 1655 A N 2.528 125.258 122.820 -0.151 0.000 1.978 1655 A HA -0.092 4.228 4.320 0.000 0.000 0.220 1655 A C -0.616 176.941 177.584 -0.046 0.000 1.170 1655 A CA 1.202 53.110 52.037 -0.216 0.000 0.636 1655 A CB -1.292 17.677 19.000 -0.051 0.000 0.810 1655 A HN 0.125 nan 8.150 nan 0.000 0.448 1656 P HA -0.110 nan 4.420 nan 0.000 0.219 1656 P C 1.487 178.796 177.300 0.016 0.000 1.146 1656 P CA 1.634 64.772 63.100 0.064 0.000 0.808 1656 P CB -0.358 31.362 31.700 0.033 0.000 0.779 1657 G N -0.959 107.794 108.800 -0.078 0.000 2.679 1657 G HA2 -0.191 3.769 3.960 0.000 0.000 0.212 1657 G HA3 -0.191 3.769 3.960 0.000 0.000 0.212 1657 G C 1.323 176.172 174.900 -0.085 0.000 1.137 1657 G CA 0.382 45.424 45.100 -0.097 0.000 0.787 1657 G HN 0.279 nan 8.290 nan 0.000 0.534 1658 Q N -0.656 119.115 119.800 -0.049 0.000 2.179 1658 Q HA 0.419 4.759 4.340 0.000 0.000 0.213 1658 Q C 0.798 176.973 176.000 0.292 0.000 0.833 1658 Q CA -0.280 55.544 55.803 0.036 0.000 0.990 1658 Q CB 0.430 29.058 28.738 -0.183 0.000 1.132 1658 Q HN 0.347 nan 8.270 nan 0.000 0.493 1659 L N 0.000 121.367 121.223 0.240 0.000 2.949 1659 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1659 L CA 0.000 54.927 54.840 0.145 0.000 0.813 1659 L CB 0.000 42.108 42.059 0.081 0.000 0.961 1659 L HN 0.000 nan 8.230 nan 0.000 0.502