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 3l3o_1_F DATA FIRST_RESID 1336 DATA SEQUENCE cNKFDLKVTI KPAPEXXXXX XXAKNTMILE IcTRYRGDQD ATMSILDISM DATA SEQUENCE MTGFAPDTDD LKQLANGVDR YISKYELDKA FSDRNTLIIY LDKVSHSEDD DATA SEQUENCE cLAFKVHQYF NVELIQPGAV KVYAYYNLEE ScTRFYHPEK EDGKLNKLcR DATA SEQUENCE DELcRCAEEN cFIXXXXXKV TLEERLDKAc EPGVDYVYKT RLVKVQLSND DATA SEQUENCE FDEYIMAIEQ TIKSGSDEVQ VGQQRTFISP IKcREALKLE EKKHYLMWGL DATA SEQUENCE SSDFWGEKPN LSYIIGKDTW VEHWPEEDEc QDEENQKQcQ DLGAFTESMV DATA SEQUENCE VFGcPN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1336 c HA 0.000 nan 4.570 nan 0.000 0.325 1336 c C 0.000 174.154 174.090 0.107 0.000 1.270 1336 c CA 0.000 56.395 56.329 0.110 0.000 1.963 1336 c CB 0.000 42.572 42.510 0.104 0.000 2.134 1337 N N 1.082 119.830 118.700 0.080 0.000 2.282 1337 N HA -0.355 4.387 4.740 0.003 0.000 0.222 1337 N C 0.376 175.891 175.510 0.009 0.000 0.937 1337 N CA 2.740 55.812 53.050 0.037 0.000 2.775 1337 N CB -1.308 37.194 38.487 0.025 0.000 0.817 1337 N HN 0.687 nan 8.380 nan 0.000 0.463 1338 K N -1.188 119.248 120.400 0.061 0.000 2.228 1338 K HA 0.318 4.640 4.320 0.003 0.000 0.202 1338 K C -0.333 176.198 176.600 -0.115 0.000 1.051 1338 K CA 0.987 57.265 56.287 -0.016 0.000 0.960 1338 K CB 0.061 32.650 32.500 0.148 0.000 0.743 1338 K HN 0.316 nan 8.250 nan 0.000 0.458 1339 F N 0.220 120.263 119.950 0.155 0.000 2.577 1339 F HA 0.296 4.825 4.527 0.003 0.000 0.318 1339 F C -0.401 175.454 175.800 0.093 0.000 1.065 1339 F CA -1.265 56.835 58.000 0.166 0.000 0.929 1339 F CB 1.713 40.804 39.000 0.152 0.000 1.237 1339 F HN -0.216 nan 8.300 nan 0.000 0.468 1340 D N 1.786 122.350 120.400 0.274 0.000 2.181 1340 D HA 0.577 5.219 4.640 0.003 0.000 0.248 1340 D C -1.332 175.058 176.300 0.151 0.000 1.020 1340 D CA -0.157 53.940 54.000 0.163 0.000 0.891 1340 D CB 2.194 43.057 40.800 0.105 0.000 1.187 1340 D HN 0.242 nan 8.370 nan 0.000 0.443 1341 L N 1.972 123.254 121.223 0.098 0.000 2.555 1341 L HA 0.317 4.658 4.340 0.003 0.000 0.264 1341 L C -1.442 175.454 176.870 0.043 0.000 0.972 1341 L CA -0.497 54.382 54.840 0.064 0.000 0.876 1341 L CB 1.317 43.407 42.059 0.051 0.000 1.216 1341 L HN 0.113 nan 8.230 nan 0.000 0.415 1342 K N 3.382 123.797 120.400 0.025 0.000 2.367 1342 K HA 0.687 5.009 4.320 0.003 0.000 0.263 1342 K C -1.146 175.445 176.600 -0.015 0.000 1.000 1342 K CA -0.282 56.012 56.287 0.012 0.000 0.891 1342 K CB 1.947 34.450 32.500 0.007 0.000 1.117 1342 K HN 0.281 nan 8.250 nan 0.000 0.443 1343 V N 3.645 123.555 119.914 -0.007 0.000 2.293 1343 V HA 0.246 4.368 4.120 0.003 0.000 0.275 1343 V C -0.472 175.579 176.094 -0.071 0.000 1.021 1343 V CA -0.847 61.425 62.300 -0.047 0.000 0.815 1343 V CB 1.046 32.882 31.823 0.022 0.000 1.025 1343 V HN 0.767 nan 8.190 nan 0.000 0.448 1344 T N 4.562 119.038 114.554 -0.131 0.000 2.747 1344 T HA 0.482 4.834 4.350 0.003 0.000 0.301 1344 T C -0.210 174.365 174.700 -0.207 0.000 0.952 1344 T CA -0.190 61.835 62.100 -0.126 0.000 0.983 1344 T CB 1.077 69.880 68.868 -0.107 0.000 0.930 1344 T HN 0.316 nan 8.240 nan 0.000 0.494 1345 I N 4.234 124.702 120.570 -0.170 0.000 2.313 1345 I HA 0.292 4.464 4.170 0.003 0.000 0.286 1345 I C -0.172 175.872 176.117 -0.122 0.000 1.091 1345 I CA -0.936 60.234 61.300 -0.217 0.000 1.216 1345 I CB -0.388 37.507 38.000 -0.175 0.000 1.434 1345 I HN 0.469 nan 8.210 nan 0.000 0.487 1346 K N 7.294 127.616 120.400 -0.130 0.000 2.156 1346 K HA 0.634 4.956 4.320 0.003 0.000 0.250 1346 K C -2.614 173.943 176.600 -0.073 0.000 0.955 1346 K CA -1.812 54.426 56.287 -0.082 0.000 0.855 1346 K CB 0.948 33.400 32.500 -0.079 0.000 1.101 1346 K HN 0.189 nan 8.250 nan 0.000 0.434 1347 P HA 0.108 nan 4.420 nan 0.000 0.278 1347 P C -1.155 176.120 177.300 -0.042 0.000 1.238 1347 P CA -0.335 62.746 63.100 -0.033 0.000 0.794 1347 P CB 0.981 32.672 31.700 -0.015 0.000 0.955 1348 A N 3.602 126.395 122.820 -0.045 0.000 2.279 1348 A HA 0.695 5.017 4.320 0.003 0.000 0.303 1348 A C -1.894 175.673 177.584 -0.028 0.000 1.108 1348 A CA -0.980 51.031 52.037 -0.044 0.000 0.830 1348 A CB -0.862 18.104 19.000 -0.056 0.000 1.106 1348 A HN 0.466 nan 8.150 nan 0.000 0.493 1349 P HA 0.681 nan 4.420 nan 0.000 0.287 1349 P C -0.482 176.813 177.300 -0.008 0.000 1.296 1349 P CA -0.214 62.877 63.100 -0.014 0.000 0.811 1349 P CB 0.984 32.676 31.700 -0.014 0.000 1.211 1359 K N -0.516 119.888 120.400 0.006 0.000 3.547 1359 K HA -0.235 4.086 4.320 0.003 0.000 0.309 1359 K C 0.582 177.178 176.600 -0.006 0.000 1.324 1359 K CA 1.646 57.932 56.287 -0.000 0.000 0.988 1359 K CB -1.410 31.090 32.500 0.000 0.000 1.261 1359 K HN 0.741 nan 8.250 nan 0.000 0.444 1360 N N -0.302 118.387 118.700 -0.018 0.000 2.474 1360 N HA -0.037 4.705 4.740 0.003 0.000 0.224 1360 N C 0.426 175.922 175.510 -0.023 0.000 1.092 1360 N CA 0.814 53.846 53.050 -0.031 0.000 0.844 1360 N CB 0.079 38.507 38.487 -0.098 0.000 1.381 1360 N HN 0.124 nan 8.380 nan 0.000 0.458 1361 T N 1.504 116.028 114.554 -0.051 0.000 2.946 1361 T HA 0.317 4.669 4.350 0.003 0.000 0.312 1361 T C 0.354 175.015 174.700 -0.065 0.000 1.066 1361 T CA 0.078 62.122 62.100 -0.094 0.000 1.138 1361 T CB -0.054 68.725 68.868 -0.148 0.000 1.014 1361 T HN 0.331 nan 8.240 nan 0.000 0.544 1362 M N 3.184 122.748 119.600 -0.060 0.000 2.948 1362 M HA 0.600 5.082 4.480 0.003 0.000 0.278 1362 M C -1.312 174.916 176.300 -0.120 0.000 1.293 1362 M CA -1.254 54.010 55.300 -0.060 0.000 0.777 1362 M CB 1.834 34.430 32.600 -0.006 0.000 1.713 1362 M HN 0.333 nan 8.290 nan 0.000 0.444 1363 I N 2.082 122.566 120.570 -0.144 0.000 2.389 1363 I HA 0.398 4.570 4.170 0.003 0.000 0.288 1363 I C -1.390 174.539 176.117 -0.312 0.000 0.999 1363 I CA -0.924 60.254 61.300 -0.203 0.000 1.129 1363 I CB 2.006 39.907 38.000 -0.165 0.000 1.288 1363 I HN 0.439 nan 8.210 nan 0.000 0.444 1364 L N 7.198 128.128 121.223 -0.489 0.000 2.275 1364 L HA 0.425 4.767 4.340 0.003 0.000 0.288 1364 L C -0.261 176.214 176.870 -0.658 0.000 1.046 1364 L CA 0.197 54.628 54.840 -0.682 0.000 0.805 1364 L CB 0.996 42.503 42.059 -0.921 0.000 1.193 1364 L HN 0.580 nan 8.230 nan 0.000 0.426 1365 E N 5.145 125.070 120.200 -0.459 0.000 2.210 1365 E HA 0.501 4.852 4.350 0.003 0.000 0.266 1365 E C -1.413 175.033 176.600 -0.257 0.000 0.883 1365 E CA -0.555 55.651 56.400 -0.324 0.000 0.761 1365 E CB 1.379 30.951 29.700 -0.212 0.000 1.156 1365 E HN 0.623 nan 8.360 nan 0.000 0.412 1366 I N 4.002 124.450 120.570 -0.203 0.000 2.418 1366 I HA 0.355 4.526 4.170 0.003 0.000 0.287 1366 I C -0.863 175.212 176.117 -0.070 0.000 1.008 1366 I CA -0.813 60.410 61.300 -0.128 0.000 1.104 1366 I CB 1.614 39.545 38.000 -0.114 0.000 1.264 1366 I HN 0.512 nan 8.210 nan 0.000 0.438 1367 c N 4.094 122.669 118.600 -0.041 0.000 2.340 1367 c HA 0.687 5.258 4.570 0.003 0.000 0.323 1367 c C 0.325 174.430 174.090 0.025 0.000 1.260 1367 c CA -0.392 55.931 56.329 -0.010 0.000 1.464 1367 c CB 1.446 43.949 42.510 -0.013 0.000 2.156 1367 c HN 0.749 nan 8.230 nan 0.000 0.476 1368 T N 3.122 117.707 114.554 0.052 0.000 2.900 1368 T HA 0.707 5.058 4.350 0.003 0.000 0.295 1368 T C -1.045 173.740 174.700 0.143 0.000 1.044 1368 T CA -0.449 61.720 62.100 0.116 0.000 0.995 1368 T CB 1.196 70.144 68.868 0.133 0.000 1.072 1368 T HN 0.827 nan 8.240 nan 0.000 0.473 1369 R N 2.084 122.697 120.500 0.188 0.000 2.698 1369 R HA 0.512 4.854 4.340 0.003 0.000 0.275 1369 R C -1.988 174.436 176.300 0.206 0.000 1.001 1369 R CA -0.741 55.457 56.100 0.163 0.000 0.896 1369 R CB 1.477 31.826 30.300 0.082 0.000 1.218 1369 R HN 0.622 nan 8.270 nan 0.000 0.462 1370 Y N 2.514 122.801 120.300 -0.021 0.000 2.320 1370 Y HA 0.377 4.928 4.550 0.003 0.000 0.334 1370 Y C -0.434 175.391 175.900 -0.125 0.000 1.055 1370 Y CA -0.867 57.092 58.100 -0.235 0.000 1.143 1370 Y CB 1.100 39.421 38.460 -0.231 0.000 1.193 1370 Y HN 0.450 nan 8.280 nan 0.000 0.477 1371 R N 4.556 124.713 120.500 -0.572 0.000 2.419 1371 R HA 0.519 4.861 4.340 0.003 0.000 0.305 1371 R C -0.186 175.680 176.300 -0.723 0.000 1.242 1371 R CA 0.050 55.874 56.100 -0.461 0.000 1.105 1371 R CB -0.139 29.997 30.300 -0.272 0.000 1.116 1371 R HN 0.925 nan 8.270 nan 0.000 0.523 1372 G N 0.532 109.016 108.800 -0.526 0.000 2.488 1372 G HA2 0.016 3.977 3.960 0.003 0.000 0.301 1372 G HA3 0.016 3.977 3.960 0.003 0.000 0.301 1372 G C -0.642 174.098 174.900 -0.267 0.000 1.339 1372 G CA -0.567 44.268 45.100 -0.442 0.000 0.803 1372 G HN 0.243 nan 8.290 nan 0.000 0.482 1373 D N -0.303 119.936 120.400 -0.267 0.000 2.201 1373 D HA 0.100 4.741 4.640 0.003 0.000 0.209 1373 D C 0.807 176.709 176.300 -0.663 0.000 0.961 1373 D CA 1.021 54.769 54.000 -0.420 0.000 0.861 1373 D CB 0.269 40.935 40.800 -0.222 0.000 0.997 1373 D HN 0.296 nan 8.370 nan 0.000 0.486 1374 Q N 1.016 120.671 119.800 -0.242 0.000 2.204 1374 Q HA 0.295 4.637 4.340 0.003 0.000 0.254 1374 Q C -0.597 175.520 176.000 0.195 0.000 0.981 1374 Q CA -0.573 55.198 55.803 -0.053 0.000 0.897 1374 Q CB 0.722 29.484 28.738 0.039 0.000 1.273 1374 Q HN -0.043 nan 8.270 nan 0.000 0.464 1375 D N 0.865 121.436 120.400 0.285 0.000 2.424 1375 D HA 0.292 4.933 4.640 0.003 0.000 0.244 1375 D C -0.048 176.364 176.300 0.188 0.000 1.134 1375 D CA 0.155 54.328 54.000 0.289 0.000 0.881 1375 D CB 0.609 41.532 40.800 0.205 0.000 1.191 1375 D HN 0.572 nan 8.370 nan 0.000 0.445 1376 A N 2.258 125.119 122.820 0.068 0.000 2.475 1376 A HA 0.383 4.705 4.320 0.003 0.000 0.239 1376 A C 0.948 178.555 177.584 0.038 0.000 1.087 1376 A CA -0.095 51.838 52.037 -0.173 0.000 0.779 1376 A CB -0.082 18.593 19.000 -0.541 0.000 1.036 1376 A HN 0.631 nan 8.150 nan 0.000 0.506 1377 T N -0.738 113.883 114.554 0.113 0.000 2.867 1377 T HA 0.521 4.873 4.350 0.003 0.000 0.286 1377 T C 0.572 175.365 174.700 0.154 0.000 1.022 1377 T CA -0.635 61.558 62.100 0.155 0.000 0.933 1377 T CB 0.022 69.031 68.868 0.235 0.000 1.280 1377 T HN 0.587 nan 8.240 nan 0.000 0.566 1378 M N 1.714 121.391 119.600 0.128 0.000 2.187 1378 M HA -0.038 4.443 4.480 0.003 0.000 0.448 1378 M C -0.330 176.055 176.300 0.143 0.000 1.308 1378 M CA 1.069 56.428 55.300 0.097 0.000 0.727 1378 M CB -0.553 32.034 32.600 -0.021 0.000 1.947 1378 M HN 0.715 nan 8.290 nan 0.000 0.535 1379 S N 3.412 119.154 115.700 0.071 0.000 2.564 1379 S HA 0.726 5.198 4.470 0.003 0.000 0.274 1379 S C -1.108 173.409 174.600 -0.139 0.000 1.124 1379 S CA -0.810 57.362 58.200 -0.046 0.000 0.869 1379 S CB 1.571 64.723 63.200 -0.079 0.000 1.105 1379 S HN 0.474 nan 8.310 nan 0.000 0.472 1380 I N 1.916 122.232 120.570 -0.424 0.000 2.359 1380 I HA 0.415 4.587 4.170 0.003 0.000 0.294 1380 I C -0.840 174.917 176.117 -0.601 0.000 0.987 1380 I CA -0.155 60.816 61.300 -0.547 0.000 1.225 1380 I CB 1.091 38.542 38.000 -0.915 0.000 1.366 1380 I HN 0.451 nan 8.210 nan 0.000 0.466 1381 L N 5.927 126.899 121.223 -0.418 0.000 2.277 1381 L HA 0.356 4.697 4.340 0.003 0.000 0.284 1381 L C -0.649 176.064 176.870 -0.262 0.000 1.028 1381 L CA -0.416 54.240 54.840 -0.307 0.000 0.835 1381 L CB 0.845 42.790 42.059 -0.191 0.000 1.215 1381 L HN 0.469 nan 8.230 nan 0.000 0.425 1382 D N 5.250 125.527 120.400 -0.205 0.000 2.485 1382 D HA 0.365 5.007 4.640 0.003 0.000 0.221 1382 D C -0.264 176.000 176.300 -0.060 0.000 1.112 1382 D CA -0.166 53.764 54.000 -0.116 0.000 0.911 1382 D CB 0.514 41.295 40.800 -0.031 0.000 1.019 1382 D HN 0.222 nan 8.370 nan 0.000 0.516 1383 I N 1.505 122.055 120.570 -0.033 0.000 2.566 1383 I HA 0.354 4.526 4.170 0.003 0.000 0.303 1383 I C 0.540 176.687 176.117 0.050 0.000 0.983 1383 I CA -0.636 60.688 61.300 0.039 0.000 1.235 1383 I CB 1.678 39.744 38.000 0.109 0.000 1.386 1383 I HN 0.293 nan 8.210 nan 0.000 0.494 1384 S N 5.004 120.750 115.700 0.078 0.000 2.549 1384 S HA 0.646 5.118 4.470 0.003 0.000 0.280 1384 S C -0.699 173.965 174.600 0.107 0.000 1.109 1384 S CA -1.068 57.173 58.200 0.069 0.000 0.905 1384 S CB 1.858 65.069 63.200 0.018 0.000 1.081 1384 S HN 0.323 nan 8.310 nan 0.000 0.477 1385 M N 2.360 122.033 119.600 0.120 0.000 2.255 1385 M HA 0.387 4.869 4.480 0.003 0.000 0.336 1385 M C 0.096 176.417 176.300 0.036 0.000 1.135 1385 M CA -0.370 55.019 55.300 0.148 0.000 1.145 1385 M CB 0.558 33.278 32.600 0.200 0.000 1.473 1385 M HN 0.760 nan 8.290 nan 0.000 0.462 1386 M N 1.159 120.720 119.600 -0.065 0.000 2.200 1386 M HA 0.137 4.618 4.480 0.003 0.000 0.355 1386 M C 0.717 177.057 176.300 0.067 0.000 1.283 1386 M CA -0.402 54.796 55.300 -0.170 0.000 1.124 1386 M CB -0.051 32.227 32.600 -0.538 0.000 1.625 1386 M HN 0.766 nan 8.290 nan 0.000 0.463 1387 T N 0.818 115.426 114.554 0.091 0.000 2.709 1387 T HA 0.209 4.561 4.350 0.003 0.000 0.269 1387 T C 1.133 175.996 174.700 0.272 0.000 1.008 1387 T CA 0.830 63.038 62.100 0.180 0.000 1.194 1387 T CB -0.211 68.751 68.868 0.158 0.000 0.986 1387 T HN 1.048 nan 8.240 nan 0.000 0.508 1388 G N 2.982 111.927 108.800 0.243 0.000 2.255 1388 G HA2 -0.105 3.857 3.960 0.003 0.000 0.196 1388 G HA3 -0.105 3.857 3.960 0.003 0.000 0.196 1388 G C -0.060 174.675 174.900 -0.274 0.000 0.998 1388 G CA -0.286 44.840 45.100 0.043 0.000 0.656 1388 G HN 0.728 nan 8.290 nan 0.000 0.490 1389 F N 0.938 120.760 119.950 -0.215 0.000 2.594 1389 F HA 0.828 5.357 4.527 0.002 0.000 0.335 1389 F C 0.498 176.296 175.800 -0.004 0.000 1.058 1389 F CA -0.569 57.349 58.000 -0.137 0.000 0.981 1389 F CB 2.387 41.378 39.000 -0.015 0.000 1.289 1389 F HN 0.517 nan 8.300 nan 0.000 0.490 1390 A N 1.373 124.345 122.820 0.254 0.000 2.582 1390 A HA 0.614 4.935 4.320 0.003 0.000 0.297 1390 A C -3.108 174.474 177.584 -0.003 0.000 1.059 1390 A CA -1.577 50.603 52.037 0.237 0.000 0.705 1390 A CB 0.978 20.296 19.000 0.531 0.000 1.279 1390 A HN 0.326 nan 8.150 nan 0.000 0.404 1391 P HA 0.079 nan 4.420 nan 0.000 0.264 1391 P C -0.612 176.597 177.300 -0.151 0.000 1.179 1391 P CA 0.429 63.471 63.100 -0.096 0.000 0.763 1391 P CB 0.423 31.895 31.700 -0.379 0.000 0.806 1392 D N 1.349 121.756 120.400 0.012 0.000 2.401 1392 D HA -0.004 4.637 4.640 0.003 0.000 0.254 1392 D C 1.017 177.305 176.300 -0.020 0.000 1.192 1392 D CA 0.325 54.345 54.000 0.033 0.000 0.885 1392 D CB 0.517 41.495 40.800 0.296 0.000 1.147 1392 D HN 0.307 nan 8.370 nan 0.000 0.478 1393 T N 1.148 115.696 114.554 -0.010 0.000 2.643 1393 T HA -0.201 4.151 4.350 0.003 0.000 0.264 1393 T C 1.263 175.965 174.700 0.002 0.000 1.045 1393 T CA 1.104 63.207 62.100 0.005 0.000 1.155 1393 T CB -0.290 68.611 68.868 0.055 0.000 0.863 1393 T HN 0.496 nan 8.240 nan 0.000 0.420 1394 D N 2.031 122.444 120.400 0.022 0.000 2.254 1394 D HA -0.182 4.459 4.640 0.003 0.000 0.201 1394 D C 1.468 177.782 176.300 0.024 0.000 0.998 1394 D CA 1.670 55.684 54.000 0.023 0.000 0.885 1394 D CB -0.405 40.414 40.800 0.032 0.000 0.915 1394 D HN 0.483 nan 8.370 nan 0.000 0.460 1395 D N 0.600 121.018 120.400 0.031 0.000 2.110 1395 D HA 0.001 4.643 4.640 0.003 0.000 0.202 1395 D C 2.341 178.646 176.300 0.008 0.000 0.975 1395 D CA 0.190 54.216 54.000 0.043 0.000 0.839 1395 D CB -0.390 40.467 40.800 0.095 0.000 0.996 1395 D HN 0.123 nan 8.370 nan 0.000 0.464 1396 L N 0.376 121.567 121.223 -0.053 0.000 2.043 1396 L HA -0.239 4.103 4.340 0.003 0.000 0.212 1396 L C 2.138 178.972 176.870 -0.060 0.000 1.075 1396 L CA 1.289 56.062 54.840 -0.111 0.000 0.752 1396 L CB -0.217 41.731 42.059 -0.184 0.000 0.891 1396 L HN -0.002 nan 8.230 nan 0.000 0.432 1397 K N -0.418 119.962 120.400 -0.034 0.000 1.978 1397 K HA -0.269 4.053 4.320 0.003 0.000 0.214 1397 K C 1.925 178.525 176.600 -0.000 0.000 1.049 1397 K CA 1.577 57.855 56.287 -0.016 0.000 0.939 1397 K CB -0.375 32.123 32.500 -0.004 0.000 0.721 1397 K HN 0.057 nan 8.250 nan 0.000 0.441 1398 Q N 0.999 120.804 119.800 0.009 0.000 2.066 1398 Q HA -0.274 4.068 4.340 0.003 0.000 0.216 1398 Q C 1.804 177.818 176.000 0.023 0.000 1.035 1398 Q CA 2.350 58.165 55.803 0.020 0.000 0.897 1398 Q CB -0.719 28.035 28.738 0.027 0.000 1.010 1398 Q HN 0.338 nan 8.270 nan 0.000 0.416 1399 L N -0.608 120.628 121.223 0.022 0.000 1.978 1399 L HA -0.296 4.046 4.340 0.003 0.000 0.218 1399 L C 2.458 179.345 176.870 0.027 0.000 1.075 1399 L CA 1.600 56.457 54.840 0.027 0.000 0.767 1399 L CB -0.866 41.208 42.059 0.024 0.000 0.890 1399 L HN 0.485 nan 8.230 nan 0.000 0.434 1400 A N -0.478 122.347 122.820 0.009 0.000 2.019 1400 A HA -0.201 4.120 4.320 0.003 0.000 0.219 1400 A C 1.992 179.616 177.584 0.067 0.000 1.164 1400 A CA 1.731 53.783 52.037 0.025 0.000 0.644 1400 A CB -0.682 18.302 19.000 -0.027 0.000 0.805 1400 A HN 0.551 nan 8.150 nan 0.000 0.449 1401 N N 0.414 119.142 118.700 0.047 0.000 2.244 1401 N HA -0.079 4.663 4.740 0.003 0.000 0.183 1401 N C 1.198 176.739 175.510 0.052 0.000 1.016 1401 N CA 0.812 53.891 53.050 0.049 0.000 0.866 1401 N CB -0.329 38.179 38.487 0.034 0.000 0.980 1401 N HN 0.480 nan 8.380 nan 0.000 0.430 1402 G N 1.256 110.086 108.800 0.050 0.000 2.630 1402 G HA2 0.188 4.149 3.960 0.003 0.000 0.236 1402 G HA3 0.188 4.149 3.960 0.003 0.000 0.236 1402 G C -0.044 174.892 174.900 0.060 0.000 1.248 1402 G CA -0.266 44.863 45.100 0.048 0.000 0.844 1402 G HN 0.024 nan 8.290 nan 0.000 0.588 1403 V N 1.071 121.014 119.914 0.049 0.000 2.973 1403 V HA 0.452 4.573 4.120 0.003 0.000 0.314 1403 V C 0.816 176.942 176.094 0.054 0.000 1.066 1403 V CA 0.584 62.914 62.300 0.050 0.000 1.021 1403 V CB 1.428 33.272 31.823 0.035 0.000 1.076 1403 V HN 1.008 nan 8.190 nan 0.000 0.462 1404 D N 1.097 121.530 120.400 0.055 0.000 2.495 1404 D HA -0.148 4.493 4.640 0.003 0.000 0.175 1404 D C 0.338 176.687 176.300 0.082 0.000 1.040 1404 D CA 1.653 55.688 54.000 0.059 0.000 1.049 1404 D CB -0.583 40.248 40.800 0.051 0.000 1.105 1404 D HN 0.713 nan 8.370 nan 0.000 0.457 1405 R N -0.472 120.087 120.500 0.098 0.000 2.837 1405 R HA 0.704 5.046 4.340 0.003 0.000 0.271 1405 R C -1.018 175.407 176.300 0.208 0.000 0.993 1405 R CA -0.883 55.294 56.100 0.128 0.000 0.931 1405 R CB 2.733 33.081 30.300 0.080 0.000 1.206 1405 R HN 0.166 nan 8.270 nan 0.000 0.474 1406 Y N 1.067 121.411 120.300 0.072 0.000 2.521 1406 Y HA 0.522 5.073 4.550 0.003 0.000 0.328 1406 Y C -2.012 173.965 175.900 0.128 0.000 1.151 1406 Y CA -0.840 57.310 58.100 0.084 0.000 1.054 1406 Y CB 1.477 39.982 38.460 0.075 0.000 1.338 1406 Y HN 0.527 nan 8.280 nan 0.000 0.453 1407 I N 4.511 124.650 120.570 -0.718 0.000 2.608 1407 I HA 0.430 4.601 4.170 0.003 0.000 0.295 1407 I C -0.164 175.371 176.117 -0.971 0.000 1.049 1407 I CA -1.252 59.588 61.300 -0.767 0.000 1.063 1407 I CB 2.270 40.079 38.000 -0.319 0.000 1.248 1407 I HN 0.768 nan 8.210 nan 0.000 0.424 1408 S N 4.871 120.175 115.700 -0.660 0.000 2.560 1408 S HA 0.054 4.526 4.470 0.003 0.000 0.284 1408 S C 1.067 175.678 174.600 0.019 0.000 1.327 1408 S CA -0.147 57.989 58.200 -0.108 0.000 1.055 1408 S CB 1.112 64.421 63.200 0.181 0.000 0.868 1408 S HN 0.835 nan 8.310 nan 0.000 0.506 1409 K N 2.408 122.883 120.400 0.125 0.000 2.000 1409 K HA -0.283 4.038 4.320 0.003 0.000 0.218 1409 K C 1.781 178.432 176.600 0.086 0.000 1.053 1409 K CA 2.309 58.648 56.287 0.086 0.000 0.946 1409 K CB -0.723 31.837 32.500 0.100 0.000 0.723 1409 K HN 0.869 nan 8.250 nan 0.000 0.446 1410 Y N 1.209 121.526 120.300 0.027 0.000 2.170 1410 Y HA -0.386 4.165 4.550 0.002 0.000 0.274 1410 Y C 2.072 177.975 175.900 0.004 0.000 1.253 1410 Y CA 2.510 60.622 58.100 0.021 0.000 1.133 1410 Y CB -0.163 38.319 38.460 0.037 0.000 0.941 1410 Y HN 0.327 nan 8.280 nan 0.000 0.518 1411 E N -0.674 119.619 120.200 0.154 0.000 2.170 1411 E HA -0.047 4.304 4.350 0.003 0.000 0.191 1411 E C 1.814 178.383 176.600 -0.052 0.000 0.981 1411 E CA 0.761 57.195 56.400 0.057 0.000 0.830 1411 E CB -0.279 29.471 29.700 0.083 0.000 0.775 1411 E HN 0.396 nan 8.360 nan 0.000 0.470 1412 L N 1.189 122.382 121.223 -0.051 0.000 1.989 1412 L HA -0.180 4.162 4.340 0.003 0.000 0.211 1412 L C 1.559 178.388 176.870 -0.069 0.000 1.071 1412 L CA 2.013 56.819 54.840 -0.057 0.000 0.749 1412 L CB -1.004 41.030 42.059 -0.042 0.000 0.890 1412 L HN 0.159 nan 8.230 nan 0.000 0.431 1413 D N -0.298 120.047 120.400 -0.092 0.000 2.133 1413 D HA -0.167 4.475 4.640 0.003 0.000 0.195 1413 D C 0.810 177.036 176.300 -0.123 0.000 0.997 1413 D CA 1.013 54.950 54.000 -0.105 0.000 0.840 1413 D CB -0.425 40.299 40.800 -0.127 0.000 0.947 1413 D HN 0.423 nan 8.370 nan 0.000 0.452 1414 K N 0.919 121.218 120.400 -0.169 0.000 2.494 1414 K HA 0.292 4.614 4.320 0.003 0.000 0.273 1414 K C 0.002 176.552 176.600 -0.083 0.000 0.970 1414 K CA -0.198 56.002 56.287 -0.144 0.000 0.963 1414 K CB 0.344 32.753 32.500 -0.152 0.000 0.913 1414 K HN -0.008 nan 8.250 nan 0.000 0.502 1415 A N 2.615 125.377 122.820 -0.096 0.000 2.401 1415 A HA 0.181 4.503 4.320 0.003 0.000 0.259 1415 A C 0.906 178.453 177.584 -0.062 0.000 1.103 1415 A CA -0.717 51.252 52.037 -0.112 0.000 0.789 1415 A CB -0.418 18.471 19.000 -0.186 0.000 1.035 1415 A HN 0.936 nan 8.150 nan 0.000 0.491 1416 F N 2.640 122.555 119.950 -0.059 0.000 2.111 1416 F HA -0.267 4.262 4.527 0.003 0.000 0.300 1416 F C 2.144 177.958 175.800 0.023 0.000 1.088 1416 F CA 1.993 59.983 58.000 -0.016 0.000 1.243 1416 F CB -0.338 38.661 39.000 -0.001 0.000 0.996 1416 F HN 0.498 nan 8.300 nan 0.000 0.483 1417 S N -0.434 115.082 115.700 -0.306 0.000 2.423 1417 S HA -0.280 4.192 4.470 0.003 0.000 0.238 1417 S C 1.600 176.194 174.600 -0.011 0.000 1.028 1417 S CA 1.860 59.893 58.200 -0.278 0.000 1.000 1417 S CB -0.847 61.928 63.200 -0.708 0.000 0.797 1417 S HN 0.669 nan 8.310 nan 0.000 0.487 1418 D N 0.167 120.564 120.400 -0.006 0.000 2.368 1418 D HA 0.162 4.804 4.640 0.003 0.000 0.218 1418 D C 0.448 176.789 176.300 0.069 0.000 1.112 1418 D CA -0.013 53.990 54.000 0.006 0.000 0.834 1418 D CB 0.140 40.910 40.800 -0.050 0.000 0.953 1418 D HN 0.291 nan 8.370 nan 0.000 0.505 1419 R N 1.469 122.051 120.500 0.137 0.000 3.057 1419 R HA 0.091 4.433 4.340 0.003 0.000 0.291 1419 R C 0.995 177.383 176.300 0.148 0.000 1.394 1419 R CA -0.188 55.986 56.100 0.122 0.000 1.630 1419 R CB 0.008 30.368 30.300 0.100 0.000 1.268 1419 R HN 0.037 nan 8.270 nan 0.000 0.621 1420 N N -0.539 118.248 118.700 0.145 0.000 2.422 1420 N HA -0.067 4.675 4.740 0.003 0.000 0.181 1420 N C 0.345 175.920 175.510 0.108 0.000 1.080 1420 N CA 0.301 53.441 53.050 0.150 0.000 0.893 1420 N CB 0.501 39.081 38.487 0.155 0.000 0.973 1420 N HN 0.274 nan 8.380 nan 0.000 0.456 1421 T N -1.680 112.924 114.554 0.083 0.000 2.864 1421 T HA 0.689 5.041 4.350 0.003 0.000 0.289 1421 T C -1.022 173.701 174.700 0.037 0.000 1.082 1421 T CA -0.787 61.348 62.100 0.057 0.000 1.009 1421 T CB 1.810 70.707 68.868 0.047 0.000 1.234 1421 T HN 0.196 nan 8.240 nan 0.000 0.526 1422 L N 0.056 121.281 121.223 0.003 0.000 3.077 1422 L HA 0.628 4.970 4.340 0.003 0.000 0.254 1422 L C -2.344 174.464 176.870 -0.103 0.000 0.959 1422 L CA -0.599 54.218 54.840 -0.040 0.000 1.030 1422 L CB 0.729 42.748 42.059 -0.067 0.000 1.679 1422 L HN 0.903 nan 8.230 nan 0.000 0.468 1423 I N 4.827 125.290 120.570 -0.178 0.000 2.412 1423 I HA 0.528 4.700 4.170 0.003 0.000 0.296 1423 I C -0.402 175.425 176.117 -0.483 0.000 0.987 1423 I CA -0.561 60.520 61.300 -0.364 0.000 1.180 1423 I CB 1.868 39.559 38.000 -0.514 0.000 1.340 1423 I HN 0.505 nan 8.210 nan 0.000 0.455 1424 I N 6.385 126.684 120.570 -0.450 0.000 2.359 1424 I HA 0.275 4.447 4.170 0.003 0.000 0.284 1424 I C -0.816 175.088 176.117 -0.356 0.000 1.018 1424 I CA -0.575 60.521 61.300 -0.339 0.000 1.173 1424 I CB 0.720 38.630 38.000 -0.150 0.000 1.326 1424 I HN 0.424 nan 8.210 nan 0.000 0.462 1425 Y N 6.346 126.632 120.300 -0.023 0.000 2.304 1425 Y HA 0.453 5.004 4.550 0.002 0.000 0.327 1425 Y C -0.004 175.923 175.900 0.044 0.000 1.209 1425 Y CA -0.382 57.738 58.100 0.032 0.000 1.299 1425 Y CB 0.747 39.302 38.460 0.159 0.000 1.249 1425 Y HN 0.366 nan 8.280 nan 0.000 0.519 1426 L N 2.267 123.583 121.223 0.156 0.000 2.386 1426 L HA 0.338 4.680 4.340 0.003 0.000 0.271 1426 L C 0.176 177.102 176.870 0.093 0.000 0.993 1426 L CA -0.519 54.378 54.840 0.095 0.000 0.819 1426 L CB 1.800 43.881 42.059 0.037 0.000 1.294 1426 L HN 0.616 nan 8.230 nan 0.000 0.414 1427 D N 1.743 122.190 120.400 0.080 0.000 2.312 1427 D HA -0.023 4.619 4.640 0.003 0.000 0.211 1427 D C 0.127 176.462 176.300 0.059 0.000 0.964 1427 D CA 0.933 54.967 54.000 0.055 0.000 0.877 1427 D CB 0.240 41.066 40.800 0.042 0.000 0.924 1427 D HN 0.542 nan 8.370 nan 0.000 0.515 1428 K N -1.653 118.787 120.400 0.067 0.000 2.685 1428 K HA 0.427 4.749 4.320 0.003 0.000 0.290 1428 K C -1.543 175.108 176.600 0.085 0.000 1.018 1428 K CA -1.012 55.320 56.287 0.076 0.000 0.860 1428 K CB 1.586 34.130 32.500 0.074 0.000 1.498 1428 K HN -0.176 nan 8.250 nan 0.000 0.390 1429 V N -1.795 118.183 119.914 0.107 0.000 2.612 1429 V HA 0.506 4.628 4.120 0.003 0.000 0.301 1429 V C -0.262 175.926 176.094 0.158 0.000 1.059 1429 V CA -0.762 61.621 62.300 0.139 0.000 0.886 1429 V CB 1.387 33.341 31.823 0.220 0.000 1.007 1429 V HN 0.829 nan 8.190 nan 0.000 0.426 1430 S N 2.626 118.397 115.700 0.119 0.000 2.560 1430 S HA 0.123 4.595 4.470 0.003 0.000 0.284 1430 S C 1.318 175.994 174.600 0.126 0.000 1.327 1430 S CA 0.401 58.656 58.200 0.091 0.000 1.055 1430 S CB 0.068 63.272 63.200 0.005 0.000 0.868 1430 S HN 1.181 nan 8.310 nan 0.000 0.506 1431 H N 2.576 121.719 119.070 0.121 0.000 2.535 1431 H HA 0.106 4.664 4.556 0.003 0.000 0.273 1431 H C 1.302 176.649 175.328 0.032 0.000 0.983 1431 H CA 0.930 57.029 56.048 0.083 0.000 1.238 1431 H CB -0.123 29.678 29.762 0.066 0.000 1.412 1431 H HN 0.467 nan 8.280 nan 0.000 0.562 1432 S N 0.792 116.136 115.700 -0.594 0.000 2.288 1432 S HA -0.012 4.460 4.470 0.003 0.000 0.198 1432 S C 0.512 175.011 174.600 -0.168 0.000 1.021 1432 S CA 0.806 58.724 58.200 -0.471 0.000 0.973 1432 S CB 0.056 62.985 63.200 -0.452 0.000 0.946 1432 S HN 0.609 nan 8.310 nan 0.000 0.470 1433 E N 1.234 121.367 120.200 -0.112 0.000 2.303 1433 E HA 0.531 4.883 4.350 0.003 0.000 0.254 1433 E C -1.498 175.094 176.600 -0.013 0.000 0.979 1433 E CA -0.950 55.422 56.400 -0.047 0.000 0.843 1433 E CB -0.114 29.564 29.700 -0.038 0.000 1.245 1433 E HN -0.096 nan 8.360 nan 0.000 0.413 1434 D N 0.558 120.959 120.400 0.001 0.000 2.390 1434 D HA 0.188 4.830 4.640 0.003 0.000 0.249 1434 D C -0.881 175.429 176.300 0.018 0.000 1.144 1434 D CA 0.067 54.079 54.000 0.019 0.000 0.880 1434 D CB 0.399 41.207 40.800 0.013 0.000 1.182 1434 D HN 0.212 nan 8.370 nan 0.000 0.451 1435 D N 1.815 122.235 120.400 0.034 0.000 2.317 1435 D HA 0.266 4.908 4.640 0.003 0.000 0.234 1435 D C -0.414 175.896 176.300 0.017 0.000 1.112 1435 D CA -0.179 53.837 54.000 0.028 0.000 0.840 1435 D CB 0.701 41.527 40.800 0.044 0.000 1.078 1435 D HN 0.221 nan 8.370 nan 0.000 0.486 1436 c N 2.523 121.125 118.600 0.002 0.000 2.848 1436 c HA 0.872 5.444 4.570 0.003 0.000 0.317 1436 c C -0.616 173.462 174.090 -0.019 0.000 1.260 1436 c CA -0.689 55.631 56.329 -0.016 0.000 1.656 1436 c CB 0.987 43.481 42.510 -0.026 0.000 2.174 1436 c HN 0.623 nan 8.230 nan 0.000 0.479 1437 L N -0.401 120.797 121.223 -0.042 0.000 2.933 1437 L HA 1.063 5.405 4.340 0.003 0.000 0.271 1437 L C -0.692 176.116 176.870 -0.103 0.000 1.071 1437 L CA -0.903 53.914 54.840 -0.038 0.000 0.938 1437 L CB 0.689 42.751 42.059 0.006 0.000 1.534 1437 L HN 1.138 nan 8.230 nan 0.000 0.396 1438 A N -0.029 122.730 122.820 -0.101 0.000 2.597 1438 A HA 0.912 5.234 4.320 0.003 0.000 0.292 1438 A C -1.859 175.648 177.584 -0.127 0.000 1.057 1438 A CA -0.217 51.665 52.037 -0.259 0.000 0.674 1438 A CB 1.329 20.185 19.000 -0.238 0.000 1.278 1438 A HN 1.795 nan 8.150 nan 0.000 0.416 1439 F N -0.720 119.178 119.950 -0.085 0.000 2.615 1439 F HA 0.678 5.207 4.527 0.003 0.000 0.312 1439 F C -0.348 175.394 175.800 -0.095 0.000 1.119 1439 F CA -1.108 56.849 58.000 -0.071 0.000 0.979 1439 F CB 1.312 40.279 39.000 -0.056 0.000 1.266 1439 F HN 0.482 nan 8.300 nan 0.000 0.444 1440 K N 3.214 123.681 120.400 0.112 0.000 2.451 1440 K HA 0.439 4.761 4.320 0.003 0.000 0.280 1440 K C -0.095 176.505 176.600 -0.000 0.000 1.020 1440 K CA -0.488 55.771 56.287 -0.047 0.000 1.008 1440 K CB 1.026 33.453 32.500 -0.122 0.000 0.917 1440 K HN 0.647 nan 8.250 nan 0.000 0.478 1441 V N 0.215 120.092 119.914 -0.062 0.000 2.850 1441 V HA 0.455 4.576 4.120 0.003 0.000 0.315 1441 V C -0.541 175.425 176.094 -0.213 0.000 1.064 1441 V CA -0.714 61.609 62.300 0.039 0.000 0.979 1441 V CB 1.541 33.524 31.823 0.266 0.000 1.039 1441 V HN 0.768 nan 8.190 nan 0.000 0.452 1442 H N 2.406 121.440 119.070 -0.060 0.000 2.667 1442 H HA 0.391 4.948 4.556 0.003 0.000 0.353 1442 H C -1.020 174.057 175.328 -0.418 0.000 1.072 1442 H CA -0.438 55.494 56.048 -0.194 0.000 1.214 1442 H CB 2.280 31.922 29.762 -0.200 0.000 1.600 1442 H HN 0.897 nan 8.280 nan 0.000 0.527 1443 Q N 2.820 122.204 119.800 -0.695 0.000 2.288 1443 Q HA 0.045 4.387 4.340 0.003 0.000 0.258 1443 Q C -0.449 175.382 176.000 -0.283 0.000 0.957 1443 Q CA -0.456 54.757 55.803 -0.985 0.000 0.919 1443 Q CB 0.508 28.468 28.738 -1.296 0.000 1.185 1443 Q HN 0.748 nan 8.270 nan 0.000 0.408 1444 Y N 3.006 123.323 120.300 0.028 0.000 2.444 1444 Y HA 0.399 4.950 4.550 0.003 0.000 0.249 1444 Y C -0.989 175.031 175.900 0.200 0.000 1.134 1444 Y CA -1.082 57.109 58.100 0.152 0.000 1.261 1444 Y CB 0.359 38.977 38.460 0.263 0.000 1.143 1444 Y HN 0.427 nan 8.280 nan 0.000 0.523 1445 F N 3.007 122.957 119.950 -0.002 0.000 2.518 1445 F HA 0.466 4.995 4.527 0.003 0.000 0.323 1445 F C -0.947 174.850 175.800 -0.006 0.000 1.129 1445 F CA -2.444 55.619 58.000 0.105 0.000 0.920 1445 F CB 1.197 40.276 39.000 0.131 0.000 1.160 1445 F HN 0.041 nan 8.300 nan 0.000 0.440 1446 N N 6.089 124.575 118.700 -0.357 0.000 2.408 1446 N HA 0.507 5.248 4.740 0.003 0.000 0.257 1446 N C -1.500 173.590 175.510 -0.700 0.000 1.064 1446 N CA 0.130 52.934 53.050 -0.409 0.000 0.952 1446 N CB 1.048 39.437 38.487 -0.164 0.000 1.093 1446 N HN 0.518 nan 8.380 nan 0.000 0.490 1447 V N 0.739 120.351 119.914 -0.504 0.000 3.049 1447 V HA 0.532 4.654 4.120 0.003 0.000 0.309 1447 V C -0.389 175.610 176.094 -0.158 0.000 1.148 1447 V CA -1.172 60.907 62.300 -0.369 0.000 0.990 1447 V CB 1.625 33.229 31.823 -0.365 0.000 1.039 1447 V HN 0.656 nan 8.190 nan 0.000 0.430 1448 E N 3.972 124.114 120.200 -0.098 0.000 2.313 1448 E HA 0.686 5.038 4.350 0.003 0.000 0.272 1448 E C -0.375 176.217 176.600 -0.012 0.000 1.038 1448 E CA -0.847 55.529 56.400 -0.040 0.000 0.863 1448 E CB 1.531 31.215 29.700 -0.027 0.000 1.060 1448 E HN 0.822 nan 8.360 nan 0.000 0.402 1449 L N 2.232 123.464 121.223 0.014 0.000 3.523 1449 L HA -0.200 4.141 4.340 0.003 0.000 0.668 1449 L C -0.309 176.593 176.870 0.053 0.000 1.211 1449 L CA 0.169 55.030 54.840 0.036 0.000 1.096 1449 L CB -1.537 40.536 42.059 0.023 0.000 1.617 1449 L HN 0.782 nan 8.230 nan 0.000 0.873 1450 I N 0.137 120.753 120.570 0.077 0.000 2.308 1450 I HA 0.343 4.514 4.170 0.003 0.000 0.293 1450 I C 0.734 176.912 176.117 0.101 0.000 1.078 1450 I CA -0.148 61.194 61.300 0.069 0.000 1.292 1450 I CB 1.286 39.310 38.000 0.041 0.000 1.423 1450 I HN 0.498 nan 8.210 nan 0.000 0.493 1451 Q N 7.894 127.740 119.800 0.077 0.000 2.414 1451 Q HA 0.243 4.585 4.340 0.003 0.000 0.288 1451 Q C -2.281 173.750 176.000 0.052 0.000 1.086 1451 Q CA -1.077 54.768 55.803 0.070 0.000 0.943 1451 Q CB 0.506 29.271 28.738 0.045 0.000 1.282 1451 Q HN 0.491 nan 8.270 nan 0.000 0.438 1452 P HA 0.160 nan 4.420 nan 0.000 0.280 1452 P C -0.643 176.541 177.300 -0.192 0.000 1.244 1452 P CA -0.128 62.953 63.100 -0.031 0.000 0.784 1452 P CB 1.143 32.865 31.700 0.036 0.000 0.913 1453 G N 1.847 110.293 108.800 -0.590 0.000 2.651 1453 G HA2 0.529 4.491 3.960 0.003 0.000 0.260 1453 G HA3 0.529 4.491 3.960 0.003 0.000 0.260 1453 G C -0.911 173.597 174.900 -0.653 0.000 1.216 1453 G CA -0.157 44.520 45.100 -0.704 0.000 0.913 1453 G HN 0.650 nan 8.290 nan 0.000 0.535 1454 A N -1.017 121.605 122.820 -0.330 0.000 2.574 1454 A HA 0.659 4.981 4.320 0.003 0.000 0.297 1454 A C -1.000 176.532 177.584 -0.087 0.000 1.062 1454 A CA -0.456 51.420 52.037 -0.268 0.000 0.686 1454 A CB 1.656 20.292 19.000 -0.608 0.000 1.285 1454 A HN 1.098 nan 8.150 nan 0.000 0.403 1455 V N 1.095 120.966 119.914 -0.072 0.000 2.630 1455 V HA 0.706 4.828 4.120 0.003 0.000 0.305 1455 V C 0.064 176.087 176.094 -0.118 0.000 1.046 1455 V CA -0.585 61.686 62.300 -0.048 0.000 0.934 1455 V CB 1.806 33.624 31.823 -0.009 0.000 1.003 1455 V HN 0.968 nan 8.190 nan 0.000 0.451 1456 K N 2.017 122.357 120.400 -0.101 0.000 2.469 1456 K HA 0.828 5.150 4.320 0.003 0.000 0.254 1456 K C -1.404 175.106 176.600 -0.150 0.000 0.939 1456 K CA -0.570 55.665 56.287 -0.087 0.000 0.812 1456 K CB 2.348 34.839 32.500 -0.016 0.000 1.301 1456 K HN 0.629 nan 8.250 nan 0.000 0.433 1457 V N 0.018 119.826 119.914 -0.176 0.000 3.040 1457 V HA 0.858 4.979 4.120 0.003 0.000 0.312 1457 V C -1.418 174.401 176.094 -0.458 0.000 1.115 1457 V CA -0.687 61.340 62.300 -0.455 0.000 0.998 1457 V CB 1.113 32.592 31.823 -0.574 0.000 1.042 1457 V HN 0.953 nan 8.190 nan 0.000 0.433 1458 Y N -0.545 119.303 120.300 -0.754 0.000 2.841 1458 Y HA 0.828 5.380 4.550 0.003 0.000 0.373 1458 Y C -0.523 175.116 175.900 -0.435 0.000 1.170 1458 Y CA -0.915 56.791 58.100 -0.657 0.000 1.196 1458 Y CB 0.380 38.667 38.460 -0.289 0.000 1.433 1458 Y HN 1.188 nan 8.280 nan 0.000 0.479 1459 A N 1.417 124.200 122.820 -0.061 0.000 2.327 1459 A HA 0.448 4.770 4.320 0.003 0.000 0.283 1459 A C 0.512 178.014 177.584 -0.137 0.000 1.127 1459 A CA -0.165 51.774 52.037 -0.164 0.000 0.810 1459 A CB -0.167 18.549 19.000 -0.473 0.000 1.066 1459 A HN 1.339 nan 8.150 nan 0.000 0.492 1460 Y N 2.197 122.478 120.300 -0.031 0.000 2.139 1460 Y HA -0.396 4.156 4.550 0.003 0.000 0.282 1460 Y C 1.762 177.706 175.900 0.074 0.000 1.179 1460 Y CA 2.328 60.487 58.100 0.099 0.000 1.161 1460 Y CB -1.174 37.347 38.460 0.103 0.000 0.970 1460 Y HN 0.780 nan 8.280 nan 0.000 0.511 1461 Y N 0.605 120.243 120.300 -1.104 0.000 2.097 1461 Y HA -0.062 4.489 4.550 0.003 0.000 0.282 1461 Y C 0.620 176.333 175.900 -0.312 0.000 1.152 1461 Y CA 0.849 58.399 58.100 -0.917 0.000 1.136 1461 Y CB -0.878 37.137 38.460 -0.742 0.000 0.975 1461 Y HN 0.207 nan 8.280 nan 0.000 0.498 1462 N N 0.298 118.773 118.700 -0.375 0.000 2.448 1462 N HA 0.165 4.907 4.740 0.003 0.000 0.279 1462 N C -0.159 175.244 175.510 -0.179 0.000 1.025 1462 N CA -0.544 52.441 53.050 -0.109 0.000 0.898 1462 N CB 1.742 40.315 38.487 0.143 0.000 1.303 1462 N HN 0.372 nan 8.380 nan 0.000 0.495 1463 L N 3.780 124.879 121.223 -0.208 0.000 2.209 1463 L HA 0.251 4.592 4.340 0.003 0.000 0.207 1463 L C 1.350 178.080 176.870 -0.234 0.000 1.094 1463 L CA 1.593 56.199 54.840 -0.389 0.000 0.790 1463 L CB 0.041 41.844 42.059 -0.425 0.000 0.932 1463 L HN 0.555 nan 8.230 nan 0.000 0.447 1464 E N 0.502 120.638 120.200 -0.107 0.000 2.268 1464 E HA -0.157 4.195 4.350 0.003 0.000 0.195 1464 E C 0.330 176.935 176.600 0.008 0.000 0.995 1464 E CA 0.932 57.304 56.400 -0.046 0.000 0.836 1464 E CB -0.096 29.595 29.700 -0.015 0.000 0.763 1464 E HN 0.627 nan 8.360 nan 0.000 0.491 1465 E N 1.379 121.606 120.200 0.045 0.000 2.028 1465 E HA 0.146 4.498 4.350 0.003 0.000 0.275 1465 E C -0.422 176.297 176.600 0.199 0.000 1.171 1465 E CA -0.261 56.222 56.400 0.139 0.000 1.186 1465 E CB 0.250 30.069 29.700 0.197 0.000 1.256 1465 E HN 0.003 nan 8.360 nan 0.000 0.474 1466 S N 0.924 116.700 115.700 0.126 0.000 2.739 1466 S HA 0.655 5.126 4.470 0.003 0.000 0.306 1466 S C -0.414 174.268 174.600 0.137 0.000 1.115 1466 S CA -0.828 57.445 58.200 0.121 0.000 0.985 1466 S CB 2.030 65.257 63.200 0.045 0.000 1.133 1466 S HN 0.526 nan 8.310 nan 0.000 0.541 1467 c N 0.630 119.284 118.600 0.091 0.000 3.080 1467 c HA 0.907 5.478 4.570 0.003 0.000 0.307 1467 c C -1.319 172.779 174.090 0.014 0.000 1.311 1467 c CA -0.028 56.351 56.329 0.083 0.000 1.533 1467 c CB 1.083 43.678 42.510 0.141 0.000 1.970 1467 c HN 1.058 nan 8.230 nan 0.000 0.467 1468 T N 3.578 118.130 114.554 -0.002 0.000 3.509 1468 T HA 0.365 4.716 4.350 0.003 0.000 0.330 1468 T C -1.025 173.601 174.700 -0.123 0.000 0.851 1468 T CA -0.455 61.589 62.100 -0.093 0.000 1.057 1468 T CB 0.561 69.368 68.868 -0.103 0.000 1.023 1468 T HN 0.597 nan 8.240 nan 0.000 0.470 1469 R N 1.708 122.133 120.500 -0.126 0.000 2.338 1469 R HA 0.763 5.104 4.340 0.003 0.000 0.317 1469 R C -0.844 175.395 176.300 -0.102 0.000 0.968 1469 R CA -1.376 54.705 56.100 -0.031 0.000 0.849 1469 R CB 0.206 30.531 30.300 0.041 0.000 1.128 1469 R HN 0.448 nan 8.270 nan 0.000 0.448 1470 F N 3.566 123.536 119.950 0.033 0.000 2.368 1470 F HA 0.414 4.942 4.527 0.002 0.000 0.315 1470 F C 0.308 176.157 175.800 0.082 0.000 1.145 1470 F CA -0.144 57.853 58.000 -0.006 0.000 1.095 1470 F CB 0.526 39.494 39.000 -0.053 0.000 1.286 1470 F HN 0.462 nan 8.300 nan 0.000 0.530 1471 Y N -1.264 119.146 120.300 0.184 0.000 2.609 1471 Y HA 0.713 5.265 4.550 0.003 0.000 0.336 1471 Y C -1.342 174.624 175.900 0.110 0.000 1.129 1471 Y CA -1.272 56.881 58.100 0.088 0.000 1.040 1471 Y CB 1.489 39.943 38.460 -0.010 0.000 1.310 1471 Y HN 0.746 nan 8.280 nan 0.000 0.460 1472 H N 1.627 120.789 119.070 0.153 0.000 3.057 1472 H HA 0.239 4.797 4.556 0.003 0.000 0.308 1472 H C -2.874 172.472 175.328 0.031 0.000 1.276 1472 H CA -1.467 54.592 56.048 0.018 0.000 1.325 1472 H CB 2.669 32.402 29.762 -0.048 0.000 1.963 1472 H HN 0.498 nan 8.280 nan 0.000 0.524 1473 P HA -0.009 nan 4.420 nan 0.000 0.216 1473 P C 0.627 178.020 177.300 0.156 0.000 1.153 1473 P CA 1.379 64.454 63.100 -0.043 0.000 0.844 1473 P CB 0.743 32.343 31.700 -0.166 0.000 0.787 1474 E N -0.955 119.494 120.200 0.416 0.000 2.134 1474 E HA 0.068 4.420 4.350 0.003 0.000 0.194 1474 E C 0.361 177.038 176.600 0.129 0.000 0.937 1474 E CA -0.021 56.525 56.400 0.243 0.000 0.874 1474 E CB -0.120 29.709 29.700 0.215 0.000 0.853 1474 E HN 0.006 nan 8.360 nan 0.000 0.471 1475 K N 2.346 122.715 120.400 -0.051 0.000 2.530 1475 K HA -0.113 4.209 4.320 0.003 0.000 0.280 1475 K C 0.826 177.404 176.600 -0.036 0.000 1.004 1475 K CA 0.291 56.456 56.287 -0.204 0.000 1.071 1475 K CB 0.360 32.551 32.500 -0.514 0.000 0.876 1475 K HN 0.122 nan 8.250 nan 0.000 0.487 1476 E N 2.017 122.196 120.200 -0.036 0.000 2.021 1476 E HA -0.269 4.083 4.350 0.003 0.000 0.200 1476 E C 0.279 176.892 176.600 0.022 0.000 1.015 1476 E CA 1.667 58.067 56.400 0.001 0.000 0.824 1476 E CB 0.190 29.884 29.700 -0.009 0.000 0.762 1476 E HN 0.532 nan 8.360 nan 0.000 0.454 1477 D N -1.906 118.497 120.400 0.004 0.000 2.424 1477 D HA 0.159 4.801 4.640 0.003 0.000 0.220 1477 D C 0.420 176.758 176.300 0.063 0.000 1.150 1477 D CA 0.665 54.688 54.000 0.037 0.000 0.831 1477 D CB 0.752 41.565 40.800 0.021 0.000 0.981 1477 D HN 0.406 nan 8.370 nan 0.000 0.500 1478 G N 1.329 110.154 108.800 0.041 0.000 2.153 1478 G HA2 -0.319 3.643 3.960 0.003 0.000 0.252 1478 G HA3 -0.319 3.643 3.960 0.003 0.000 0.252 1478 G C 0.486 175.286 174.900 -0.167 0.000 0.994 1478 G CA 0.187 45.307 45.100 0.033 0.000 0.698 1478 G HN 0.179 nan 8.290 nan 0.000 0.521 1479 K N 0.548 120.835 120.400 -0.188 0.000 2.227 1479 K HA 0.646 4.967 4.320 0.003 0.000 0.280 1479 K C 1.299 177.746 176.600 -0.255 0.000 1.041 1479 K CA -0.576 55.553 56.287 -0.264 0.000 0.905 1479 K CB 0.483 32.883 32.500 -0.167 0.000 1.068 1479 K HN 0.242 nan 8.250 nan 0.000 0.470 1480 L N 2.399 123.455 121.223 -0.278 0.000 2.473 1480 L HA 0.063 4.404 4.340 0.003 0.000 0.265 1480 L C 0.204 176.974 176.870 -0.166 0.000 1.243 1480 L CA -0.052 54.659 54.840 -0.214 0.000 0.822 1480 L CB 0.239 42.185 42.059 -0.189 0.000 1.101 1480 L HN 0.618 nan 8.230 nan 0.000 0.507 1481 N N 1.661 120.279 118.700 -0.137 0.000 2.437 1481 N HA 0.222 4.963 4.740 0.003 0.000 0.243 1481 N C -0.793 174.659 175.510 -0.097 0.000 1.041 1481 N CA -0.267 52.718 53.050 -0.109 0.000 0.940 1481 N CB 0.782 39.212 38.487 -0.096 0.000 1.133 1481 N HN 0.422 nan 8.380 nan 0.000 0.506 1482 K N 0.104 120.448 120.400 -0.094 0.000 2.352 1482 K HA 0.681 5.002 4.320 0.003 0.000 0.240 1482 K C -1.098 175.446 176.600 -0.093 0.000 1.017 1482 K CA -1.083 55.150 56.287 -0.090 0.000 0.851 1482 K CB 1.675 34.125 32.500 -0.083 0.000 1.261 1482 K HN 0.059 nan 8.250 nan 0.000 0.451 1483 L N 1.600 122.762 121.223 -0.103 0.000 2.427 1483 L HA 0.380 4.722 4.340 0.003 0.000 0.264 1483 L C -1.822 175.005 176.870 -0.072 0.000 0.989 1483 L CA -0.508 54.260 54.840 -0.120 0.000 0.865 1483 L CB 0.782 42.741 42.059 -0.168 0.000 1.209 1483 L HN 0.888 nan 8.230 nan 0.000 0.430 1484 c N 3.644 122.143 118.600 -0.169 0.000 2.340 1484 c HA 0.686 5.258 4.570 0.003 0.000 0.323 1484 c C 0.200 174.129 174.090 -0.267 0.000 1.260 1484 c CA -1.031 55.245 56.329 -0.088 0.000 1.464 1484 c CB 1.200 43.651 42.510 -0.099 0.000 2.156 1484 c HN 0.803 nan 8.230 nan 0.000 0.476 1485 R N 2.367 122.842 120.500 -0.042 0.000 2.343 1485 R HA 0.379 4.721 4.340 0.003 0.000 0.320 1485 R C 0.066 176.308 176.300 -0.097 0.000 0.956 1485 R CA 0.083 56.124 56.100 -0.099 0.000 0.836 1485 R CB 0.521 30.879 30.300 0.096 0.000 1.151 1485 R HN 0.969 nan 8.270 nan 0.000 0.450 1486 D N 2.274 122.626 120.400 -0.080 0.000 4.508 1486 D HA -0.311 4.331 4.640 0.003 0.000 0.178 1486 D C 0.316 176.575 176.300 -0.068 0.000 0.644 1486 D CA 2.189 56.150 54.000 -0.064 0.000 1.244 1486 D CB -0.226 40.534 40.800 -0.067 0.000 0.727 1486 D HN 0.735 nan 8.370 nan 0.000 0.495 1487 E N -0.302 119.851 120.200 -0.078 0.000 2.514 1487 E HA 0.197 4.549 4.350 0.003 0.000 0.215 1487 E C 0.182 176.751 176.600 -0.052 0.000 0.946 1487 E CA -0.246 56.118 56.400 -0.059 0.000 1.038 1487 E CB 0.841 30.508 29.700 -0.055 0.000 1.069 1487 E HN 0.091 nan 8.360 nan 0.000 0.503 1488 L N 1.152 122.328 121.223 -0.079 0.000 2.275 1488 L HA 0.302 4.643 4.340 0.003 0.000 0.288 1488 L C -0.953 175.996 176.870 0.133 0.000 1.046 1488 L CA -0.247 54.568 54.840 -0.041 0.000 0.805 1488 L CB 1.029 42.942 42.059 -0.243 0.000 1.193 1488 L HN -0.019 nan 8.230 nan 0.000 0.426 1489 c N 5.174 123.876 118.600 0.170 0.000 2.529 1489 c HA 0.898 5.469 4.570 0.003 0.000 0.329 1489 c C -0.237 173.976 174.090 0.204 0.000 1.194 1489 c CA -0.689 55.750 56.329 0.183 0.000 1.779 1489 c CB 1.654 44.194 42.510 0.052 0.000 2.322 1489 c HN 0.978 nan 8.230 nan 0.000 0.500 1490 R N 1.556 122.103 120.500 0.077 0.000 2.707 1490 R HA 0.655 4.996 4.340 0.003 0.000 0.272 1490 R C -1.322 174.920 176.300 -0.097 0.000 1.011 1490 R CA -0.409 55.673 56.100 -0.031 0.000 0.893 1490 R CB 0.515 30.711 30.300 -0.173 0.000 1.233 1490 R HN 0.660 nan 8.270 nan 0.000 0.464 1491 C N 1.700 120.952 119.300 -0.079 0.000 2.593 1491 C HA 0.690 5.152 4.460 0.003 0.000 0.409 1491 C C 0.613 175.546 174.990 -0.095 0.000 1.304 1491 C CA 0.549 59.522 59.018 -0.075 0.000 2.007 1491 C CB 0.126 27.836 27.740 -0.050 0.000 2.614 1491 C HN 0.801 nan 8.230 nan 0.000 0.585 1492 A N 4.552 127.318 122.820 -0.089 0.000 3.234 1492 A HA 0.346 4.668 4.320 0.003 0.000 0.247 1492 A C 0.479 178.019 177.584 -0.074 0.000 0.938 1492 A CA -0.002 51.983 52.037 -0.086 0.000 1.039 1492 A CB -0.085 18.858 19.000 -0.094 0.000 1.197 1492 A HN 0.837 nan 8.150 nan 0.000 0.498 1493 E N 1.107 121.267 120.200 -0.067 0.000 2.451 1493 E HA 0.043 4.395 4.350 0.003 0.000 0.194 1493 E C 0.514 177.085 176.600 -0.048 0.000 1.027 1493 E CA 0.108 56.470 56.400 -0.063 0.000 0.914 1493 E CB 0.346 30.008 29.700 -0.065 0.000 1.054 1493 E HN 0.929 nan 8.360 nan 0.000 0.461 1494 E N 0.007 120.180 120.200 -0.045 0.000 3.218 1494 E HA 0.180 4.532 4.350 0.003 0.000 0.265 1494 E C -0.000 176.578 176.600 -0.035 0.000 1.393 1494 E CA -0.723 55.656 56.400 -0.035 0.000 1.160 1494 E CB 0.264 29.945 29.700 -0.032 0.000 1.272 1494 E HN -0.190 nan 8.360 nan 0.000 0.720 1495 N N -0.665 118.017 118.700 -0.031 0.000 2.493 1495 N HA 0.178 4.919 4.740 0.003 0.000 0.275 1495 N C -0.362 175.122 175.510 -0.043 0.000 1.186 1495 N CA -0.590 52.439 53.050 -0.035 0.000 0.978 1495 N CB 0.779 39.248 38.487 -0.030 0.000 1.184 1495 N HN 0.421 nan 8.380 nan 0.000 0.487 1496 c N 0.184 118.753 118.600 -0.051 0.000 2.713 1496 c HA 0.345 4.917 4.570 0.003 0.000 0.330 1496 c C 1.533 175.574 174.090 -0.082 0.000 1.416 1496 c CA -0.693 55.599 56.329 -0.062 0.000 2.351 1496 c CB -1.008 41.462 42.510 -0.067 0.000 2.388 1496 c HN 0.533 nan 8.230 nan 0.000 0.729 1497 F N 1.321 121.207 119.950 -0.108 0.000 2.595 1497 F HA 0.563 5.092 4.527 0.003 0.000 0.359 1497 F C 0.223 175.902 175.800 -0.202 0.000 1.147 1497 F CA 0.226 58.134 58.000 -0.154 0.000 1.341 1497 F CB -0.507 38.369 39.000 -0.207 0.000 1.104 1497 F HN 0.569 nan 8.300 nan 0.000 0.603 1505 V N 2.595 122.553 119.914 0.072 0.000 2.370 1505 V HA 0.464 4.586 4.120 0.003 0.000 0.279 1505 V C 0.116 176.224 176.094 0.024 0.000 1.029 1505 V CA -0.160 62.191 62.300 0.084 0.000 0.870 1505 V CB 0.915 32.823 31.823 0.143 0.000 0.984 1505 V HN 0.409 nan 8.190 nan 0.000 0.451 1506 T N 1.592 116.144 114.554 -0.003 0.000 2.893 1506 T HA 0.475 4.827 4.350 0.003 0.000 0.291 1506 T C 0.856 175.526 174.700 -0.051 0.000 1.028 1506 T CA -0.681 61.405 62.100 -0.024 0.000 0.995 1506 T CB 1.789 70.647 68.868 -0.016 0.000 1.051 1506 T HN 0.357 nan 8.240 nan 0.000 0.470 1507 L N 0.547 121.744 121.223 -0.043 0.000 2.211 1507 L HA -0.214 4.128 4.340 0.003 0.000 0.216 1507 L C 2.153 179.007 176.870 -0.027 0.000 1.092 1507 L CA 1.930 56.753 54.840 -0.028 0.000 0.767 1507 L CB -0.260 41.799 42.059 0.001 0.000 0.894 1507 L HN 0.817 nan 8.230 nan 0.000 0.437 1508 E N -0.395 119.783 120.200 -0.038 0.000 2.072 1508 E HA -0.168 4.183 4.350 0.003 0.000 0.190 1508 E C 1.976 178.540 176.600 -0.060 0.000 0.982 1508 E CA 0.807 57.181 56.400 -0.043 0.000 0.803 1508 E CB -0.026 29.652 29.700 -0.036 0.000 0.755 1508 E HN 0.330 nan 8.360 nan 0.000 0.453 1509 E N 0.345 120.506 120.200 -0.065 0.000 2.401 1509 E HA -0.122 4.230 4.350 0.003 0.000 0.199 1509 E C 1.577 178.078 176.600 -0.165 0.000 1.023 1509 E CA 0.705 57.058 56.400 -0.078 0.000 0.859 1509 E CB 0.024 29.702 29.700 -0.036 0.000 0.780 1509 E HN 0.248 nan 8.360 nan 0.000 0.523 1510 R N -0.583 119.792 120.500 -0.208 0.000 2.167 1510 R HA 0.251 4.592 4.340 0.003 0.000 0.201 1510 R C 2.238 178.415 176.300 -0.205 0.000 1.024 1510 R CA -0.072 55.799 56.100 -0.382 0.000 1.053 1510 R CB 0.046 29.980 30.300 -0.610 0.000 0.987 1510 R HN 0.068 nan 8.270 nan 0.000 0.493 1511 L N 1.054 122.254 121.223 -0.038 0.000 2.633 1511 L HA -0.126 4.216 4.340 0.003 0.000 0.235 1511 L C 0.725 177.544 176.870 -0.085 0.000 1.163 1511 L CA 0.907 55.735 54.840 -0.020 0.000 0.859 1511 L CB -0.137 41.906 42.059 -0.027 0.000 0.973 1511 L HN 0.188 nan 8.230 nan 0.000 0.451 1512 D N -0.392 119.944 120.400 -0.107 0.000 2.634 1512 D HA -0.053 4.589 4.640 0.003 0.000 0.262 1512 D C 1.844 178.077 176.300 -0.111 0.000 1.354 1512 D CA 0.484 54.429 54.000 -0.091 0.000 1.028 1512 D CB 0.179 40.941 40.800 -0.063 0.000 1.061 1512 D HN -0.127 nan 8.370 nan 0.000 0.387 1513 K N 0.243 120.578 120.400 -0.109 0.000 2.293 1513 K HA -0.096 4.226 4.320 0.003 0.000 0.204 1513 K C 0.940 177.477 176.600 -0.104 0.000 1.045 1513 K CA 1.097 57.355 56.287 -0.048 0.000 0.933 1513 K CB -0.077 32.422 32.500 -0.003 0.000 0.736 1513 K HN 0.070 nan 8.250 nan 0.000 0.463 1514 A N -0.305 122.293 122.820 -0.369 0.000 2.640 1514 A HA 0.139 4.461 4.320 0.003 0.000 0.282 1514 A C 0.735 178.100 177.584 -0.365 0.000 1.357 1514 A CA -0.229 51.391 52.037 -0.696 0.000 0.946 1514 A CB -0.128 18.165 19.000 -1.178 0.000 1.065 1514 A HN 0.346 nan 8.150 nan 0.000 0.541 1515 c N -0.453 118.031 118.600 -0.194 0.000 3.865 1515 c HA 0.190 4.762 4.570 0.003 0.000 0.297 1515 c C 0.851 174.902 174.090 -0.064 0.000 1.758 1515 c CA -0.716 55.539 56.329 -0.123 0.000 1.778 1515 c CB -0.933 41.514 42.510 -0.105 0.000 3.158 1515 c HN 0.694 nan 8.230 nan 0.000 0.598 1516 E N 2.746 122.920 120.200 -0.043 0.000 2.494 1516 E HA -0.024 4.327 4.350 0.003 0.000 0.262 1516 E C -1.190 175.413 176.600 0.005 0.000 1.294 1516 E CA -0.482 55.916 56.400 -0.002 0.000 1.062 1516 E CB 0.338 30.057 29.700 0.031 0.000 0.982 1516 E HN 0.200 nan 8.360 nan 0.000 0.495 1517 P HA -0.160 nan 4.420 nan 0.000 0.215 1517 P C 1.413 178.736 177.300 0.038 0.000 1.157 1517 P CA 1.602 64.717 63.100 0.026 0.000 0.863 1517 P CB -0.223 31.495 31.700 0.030 0.000 0.787 1518 G N 0.905 109.735 108.800 0.050 0.000 2.476 1518 G HA2 -0.187 3.775 3.960 0.003 0.000 0.218 1518 G HA3 -0.187 3.775 3.960 0.003 0.000 0.218 1518 G C 0.665 175.598 174.900 0.055 0.000 1.164 1518 G CA 0.466 45.605 45.100 0.065 0.000 0.768 1518 G HN 0.225 nan 8.290 nan 0.000 0.560 1519 V N 1.426 121.364 119.914 0.041 0.000 2.681 1519 V HA 0.075 4.197 4.120 0.003 0.000 0.306 1519 V C 0.983 177.072 176.094 -0.009 0.000 1.077 1519 V CA 1.558 63.855 62.300 -0.004 0.000 1.224 1519 V CB 1.216 33.010 31.823 -0.049 0.000 0.879 1519 V HN 0.510 nan 8.190 nan 0.000 0.494 1520 D N 2.295 122.676 120.400 -0.030 0.000 2.215 1520 D HA 0.035 4.677 4.640 0.003 0.000 0.436 1520 D C -0.563 175.846 176.300 0.181 0.000 1.007 1520 D CA 0.040 54.105 54.000 0.107 0.000 0.958 1520 D CB 0.844 41.782 40.800 0.230 0.000 1.469 1520 D HN 0.622 nan 8.370 nan 0.000 0.496 1521 Y N 0.042 120.383 120.300 0.067 0.000 2.386 1521 Y HA 0.675 5.226 4.550 0.003 0.000 0.334 1521 Y C -1.535 174.166 175.900 -0.331 0.000 1.002 1521 Y CA -1.208 56.753 58.100 -0.231 0.000 1.068 1521 Y CB 1.313 39.609 38.460 -0.273 0.000 1.203 1521 Y HN -0.301 nan 8.280 nan 0.000 0.443 1522 V N 5.739 125.489 119.914 -0.274 0.000 2.407 1522 V HA 0.456 4.577 4.120 0.003 0.000 0.291 1522 V C -1.273 174.856 176.094 0.058 0.000 1.018 1522 V CA -0.720 61.572 62.300 -0.013 0.000 0.842 1522 V CB 0.601 32.462 31.823 0.064 0.000 0.996 1522 V HN 0.717 nan 8.190 nan 0.000 0.426 1523 Y N 2.343 122.880 120.300 0.394 0.000 2.499 1523 Y HA 0.567 5.119 4.550 0.003 0.000 0.347 1523 Y C 0.088 176.143 175.900 0.258 0.000 0.987 1523 Y CA -1.883 56.379 58.100 0.270 0.000 1.044 1523 Y CB 2.091 40.666 38.460 0.190 0.000 1.245 1523 Y HN 0.487 nan 8.280 nan 0.000 0.461 1524 K N 2.397 122.986 120.400 0.314 0.000 2.464 1524 K HA 0.487 4.809 4.320 0.003 0.000 0.252 1524 K C -1.142 175.457 176.600 -0.003 0.000 1.000 1524 K CA -0.274 56.069 56.287 0.093 0.000 0.951 1524 K CB 0.442 32.802 32.500 -0.234 0.000 1.183 1524 K HN 0.866 nan 8.250 nan 0.000 0.445 1525 T N 0.695 115.271 114.554 0.037 0.000 2.887 1525 T HA 0.440 4.791 4.350 0.003 0.000 0.288 1525 T C -0.431 174.238 174.700 -0.052 0.000 1.021 1525 T CA -0.999 61.083 62.100 -0.030 0.000 1.000 1525 T CB 1.840 70.661 68.868 -0.078 0.000 1.034 1525 T HN 0.541 nan 8.240 nan 0.000 0.467 1526 R N 1.286 121.705 120.500 -0.135 0.000 2.428 1526 R HA 0.590 4.932 4.340 0.003 0.000 0.294 1526 R C -1.137 175.066 176.300 -0.161 0.000 1.000 1526 R CA -1.002 54.916 56.100 -0.303 0.000 0.960 1526 R CB 0.993 31.011 30.300 -0.472 0.000 1.076 1526 R HN 0.604 nan 8.270 nan 0.000 0.475 1527 L N 5.707 126.857 121.223 -0.123 0.000 2.255 1527 L HA 0.209 4.550 4.340 0.003 0.000 0.289 1527 L C 0.155 177.001 176.870 -0.040 0.000 1.046 1527 L CA 0.130 54.951 54.840 -0.032 0.000 0.816 1527 L CB 1.504 43.608 42.059 0.075 0.000 1.197 1527 L HN 0.577 nan 8.230 nan 0.000 0.427 1528 V N 3.328 123.227 119.914 -0.024 0.000 2.261 1528 V HA 0.075 4.197 4.120 0.003 0.000 0.235 1528 V C 0.898 176.999 176.094 0.011 0.000 1.044 1528 V CA 0.673 62.964 62.300 -0.015 0.000 1.007 1528 V CB -0.534 31.283 31.823 -0.010 0.000 0.647 1528 V HN 0.703 nan 8.190 nan 0.000 0.462 1529 K N 0.510 120.928 120.400 0.031 0.000 2.213 1529 K HA 0.513 4.835 4.320 0.003 0.000 0.270 1529 K C -1.379 175.268 176.600 0.078 0.000 1.002 1529 K CA -0.288 56.021 56.287 0.036 0.000 0.868 1529 K CB 1.753 34.265 32.500 0.019 0.000 1.093 1529 K HN 0.123 nan 8.250 nan 0.000 0.454 1530 V N 5.829 125.789 119.914 0.078 0.000 2.259 1530 V HA 0.154 4.275 4.120 0.003 0.000 0.267 1530 V C -0.196 175.909 176.094 0.017 0.000 1.051 1530 V CA -0.600 61.776 62.300 0.127 0.000 0.830 1530 V CB 0.792 32.710 31.823 0.158 0.000 1.080 1530 V HN 0.808 nan 8.190 nan 0.000 0.467 1531 Q N 3.327 123.082 119.800 -0.075 0.000 2.199 1531 Q HA 0.788 5.130 4.340 0.003 0.000 0.232 1531 Q C -0.773 175.112 176.000 -0.193 0.000 0.969 1531 Q CA -0.596 55.131 55.803 -0.126 0.000 0.925 1531 Q CB 2.463 31.110 28.738 -0.151 0.000 1.198 1531 Q HN 0.516 nan 8.270 nan 0.000 0.494 1532 L N -0.645 120.483 121.223 -0.158 0.000 2.671 1532 L HA 0.550 4.892 4.340 0.003 0.000 0.259 1532 L C -1.417 175.381 176.870 -0.120 0.000 1.021 1532 L CA -0.336 54.410 54.840 -0.157 0.000 0.871 1532 L CB 2.715 44.721 42.059 -0.087 0.000 1.472 1532 L HN 0.675 nan 8.230 nan 0.000 0.410 1533 S N 0.135 115.779 115.700 -0.092 0.000 2.671 1533 S HA 0.316 4.787 4.470 0.003 0.000 0.277 1533 S C 0.016 174.628 174.600 0.020 0.000 1.165 1533 S CA -0.615 57.572 58.200 -0.021 0.000 0.822 1533 S CB 1.695 64.902 63.200 0.012 0.000 1.150 1533 S HN 0.705 nan 8.310 nan 0.000 0.479 1534 N N 1.161 119.887 118.700 0.044 0.000 2.396 1534 N HA -0.076 4.666 4.740 0.003 0.000 0.180 1534 N C 0.689 176.235 175.510 0.061 0.000 1.028 1534 N CA 1.575 54.649 53.050 0.040 0.000 0.893 1534 N CB -0.121 38.385 38.487 0.032 0.000 0.967 1534 N HN 0.659 nan 8.380 nan 0.000 0.440 1535 D N -1.000 119.472 120.400 0.119 0.000 2.584 1535 D HA 0.049 4.691 4.640 0.003 0.000 0.254 1535 D C 0.326 176.772 176.300 0.243 0.000 1.085 1535 D CA 0.381 54.468 54.000 0.144 0.000 0.971 1535 D CB -0.485 40.386 40.800 0.119 0.000 1.103 1535 D HN 0.338 nan 8.370 nan 0.000 0.453 1536 F N 0.670 120.602 119.950 -0.031 0.000 2.579 1536 F HA 0.516 5.045 4.527 0.003 0.000 0.325 1536 F C -1.576 174.179 175.800 -0.075 0.000 1.162 1536 F CA -1.683 56.290 58.000 -0.044 0.000 0.946 1536 F CB 1.470 40.456 39.000 -0.023 0.000 1.211 1536 F HN -0.253 nan 8.300 nan 0.000 0.447 1537 D N 2.364 122.649 120.400 -0.193 0.000 2.304 1537 D HA 0.353 4.995 4.640 0.003 0.000 0.247 1537 D C -0.540 175.412 176.300 -0.580 0.000 1.089 1537 D CA -0.337 53.426 54.000 -0.395 0.000 0.910 1537 D CB 1.503 42.123 40.800 -0.301 0.000 1.199 1537 D HN 0.845 nan 8.370 nan 0.000 0.426 1538 E N -0.289 119.491 120.200 -0.701 0.000 2.412 1538 E HA 0.639 4.991 4.350 0.003 0.000 0.255 1538 E C -1.085 174.987 176.600 -0.880 0.000 0.933 1538 E CA -1.140 54.882 56.400 -0.631 0.000 0.823 1538 E CB 1.233 30.704 29.700 -0.381 0.000 1.352 1538 E HN 0.443 nan 8.360 nan 0.000 0.406 1539 Y N -0.507 119.795 120.300 0.003 0.000 2.348 1539 Y HA 0.317 4.868 4.550 0.003 0.000 0.321 1539 Y C -0.774 175.148 175.900 0.038 0.000 1.163 1539 Y CA -0.776 57.324 58.100 -0.001 0.000 1.070 1539 Y CB 1.471 39.910 38.460 -0.036 0.000 1.250 1539 Y HN 0.394 nan 8.280 nan 0.000 0.425 1540 I N 4.706 125.367 120.570 0.151 0.000 2.257 1540 I HA 0.287 4.458 4.170 0.003 0.000 0.290 1540 I C -0.399 175.753 176.117 0.059 0.000 1.137 1540 I CA 0.033 61.395 61.300 0.105 0.000 1.255 1540 I CB -0.142 37.894 38.000 0.060 0.000 1.485 1540 I HN 0.461 nan 8.210 nan 0.000 0.534 1541 M N 3.939 123.555 119.600 0.026 0.000 2.188 1541 M HA 0.514 4.995 4.480 0.003 0.000 0.357 1541 M C 0.272 176.541 176.300 -0.051 0.000 1.204 1541 M CA -0.232 55.028 55.300 -0.067 0.000 1.095 1541 M CB 1.654 34.119 32.600 -0.226 0.000 1.604 1541 M HN 0.503 nan 8.290 nan 0.000 0.464 1542 A N 4.597 127.382 122.820 -0.059 0.000 2.304 1542 A HA 0.710 5.032 4.320 0.003 0.000 0.301 1542 A C -0.219 177.309 177.584 -0.092 0.000 1.132 1542 A CA -0.729 51.273 52.037 -0.057 0.000 0.819 1542 A CB 0.336 19.310 19.000 -0.043 0.000 1.094 1542 A HN 0.895 nan 8.150 nan 0.000 0.492 1543 I N 1.768 122.272 120.570 -0.111 0.000 2.337 1543 I HA 0.168 4.339 4.170 0.003 0.000 0.291 1543 I C 0.745 176.810 176.117 -0.087 0.000 1.046 1543 I CA 0.020 61.230 61.300 -0.150 0.000 1.324 1543 I CB 0.863 38.698 38.000 -0.275 0.000 1.409 1543 I HN 0.848 nan 8.210 nan 0.000 0.494 1544 E N 4.898 125.059 120.200 -0.067 0.000 2.318 1544 E HA -0.052 4.299 4.350 0.003 0.000 0.193 1544 E C -0.024 176.551 176.600 -0.041 0.000 0.998 1544 E CA 0.464 56.833 56.400 -0.052 0.000 0.859 1544 E CB 0.328 29.993 29.700 -0.057 0.000 0.812 1544 E HN 0.730 nan 8.360 nan 0.000 0.492 1545 Q N 0.007 119.799 119.800 -0.013 0.000 2.364 1545 Q HA 0.166 4.508 4.340 0.003 0.000 0.251 1545 Q C -1.027 175.052 176.000 0.132 0.000 0.927 1545 Q CA -0.623 55.202 55.803 0.037 0.000 0.924 1545 Q CB 0.744 29.496 28.738 0.023 0.000 1.419 1545 Q HN -0.107 nan 8.270 nan 0.000 0.427 1546 T N 1.326 115.967 114.554 0.145 0.000 3.182 1546 T HA 0.290 4.641 4.350 0.003 0.000 0.274 1546 T C 1.069 175.920 174.700 0.251 0.000 0.997 1546 T CA -0.362 61.904 62.100 0.277 0.000 1.082 1546 T CB -0.459 68.545 68.868 0.227 0.000 1.005 1546 T HN 0.662 nan 8.240 nan 0.000 0.688 1547 I N 0.613 121.352 120.570 0.283 0.000 2.142 1547 I HA -0.001 4.171 4.170 0.003 0.000 0.240 1547 I C 1.581 177.762 176.117 0.106 0.000 1.078 1547 I CA 1.144 62.545 61.300 0.169 0.000 1.343 1547 I CB -0.027 38.087 38.000 0.190 0.000 1.046 1547 I HN 0.461 nan 8.210 nan 0.000 0.405 1548 K N 1.064 121.535 120.400 0.119 0.000 2.579 1548 K HA 0.320 4.642 4.320 0.003 0.000 0.250 1548 K C -0.882 175.811 176.600 0.154 0.000 0.952 1548 K CA -0.264 56.073 56.287 0.084 0.000 0.857 1548 K CB 1.710 34.215 32.500 0.009 0.000 1.123 1548 K HN -0.068 nan 8.250 nan 0.000 0.433 1549 S N 1.043 116.856 115.700 0.188 0.000 2.579 1549 S HA 0.400 4.871 4.470 0.003 0.000 0.275 1549 S C 0.330 175.073 174.600 0.237 0.000 1.345 1549 S CA -0.216 58.138 58.200 0.257 0.000 1.031 1549 S CB 1.235 64.554 63.200 0.198 0.000 0.892 1549 S HN 0.768 nan 8.310 nan 0.000 0.529 1550 G N 0.291 109.283 108.800 0.320 0.000 3.251 1550 G HA2 0.394 4.356 3.960 0.003 0.000 0.248 1550 G HA3 0.394 4.356 3.960 0.003 0.000 0.248 1550 G C 0.378 175.394 174.900 0.194 0.000 1.320 1550 G CA -0.631 44.647 45.100 0.297 0.000 0.982 1550 G HN 0.579 nan 8.290 nan 0.000 0.575 1551 S N -0.453 115.300 115.700 0.089 0.000 2.584 1551 S HA -0.004 4.467 4.470 0.003 0.000 0.240 1551 S C 0.264 174.798 174.600 -0.110 0.000 0.975 1551 S CA 0.791 58.943 58.200 -0.080 0.000 0.949 1551 S CB -0.159 62.892 63.200 -0.247 0.000 0.761 1551 S HN 0.545 nan 8.310 nan 0.000 0.536 1552 D N 2.130 122.578 120.400 0.079 0.000 2.373 1552 D HA 0.133 4.775 4.640 0.003 0.000 0.227 1552 D C -0.437 175.977 176.300 0.189 0.000 1.091 1552 D CA -0.396 53.710 54.000 0.176 0.000 0.840 1552 D CB 0.587 41.686 40.800 0.498 0.000 1.060 1552 D HN -0.131 nan 8.370 nan 0.000 0.502 1553 E N 3.093 123.360 120.200 0.112 0.000 1.972 1553 E HA 0.113 4.465 4.350 0.003 0.000 0.292 1553 E C -0.641 176.022 176.600 0.104 0.000 1.193 1553 E CA -0.152 56.307 56.400 0.098 0.000 1.228 1553 E CB 0.673 30.408 29.700 0.058 0.000 1.167 1553 E HN 0.153 nan 8.360 nan 0.000 0.479 1554 V N 2.833 122.829 119.914 0.136 0.000 2.357 1554 V HA 0.149 4.270 4.120 0.003 0.000 0.284 1554 V C -0.255 175.883 176.094 0.072 0.000 1.018 1554 V CA -0.679 61.682 62.300 0.101 0.000 0.841 1554 V CB 1.766 33.655 31.823 0.110 0.000 0.991 1554 V HN 0.387 nan 8.190 nan 0.000 0.437 1555 Q N 3.433 123.262 119.800 0.047 0.000 2.354 1555 Q HA 0.448 4.790 4.340 0.003 0.000 0.244 1555 Q C -0.310 175.698 176.000 0.014 0.000 0.969 1555 Q CA -0.135 55.689 55.803 0.035 0.000 0.885 1555 Q CB 1.616 30.371 28.738 0.028 0.000 1.241 1555 Q HN 0.714 nan 8.270 nan 0.000 0.461 1556 V N 2.308 122.231 119.914 0.014 0.000 2.681 1556 V HA 0.147 4.269 4.120 0.003 0.000 0.306 1556 V C 1.492 177.580 176.094 -0.011 0.000 1.077 1556 V CA 1.577 63.876 62.300 -0.002 0.000 1.224 1556 V CB -0.415 31.412 31.823 0.006 0.000 0.879 1556 V HN 1.067 nan 8.190 nan 0.000 0.494 1557 G N 2.594 111.378 108.800 -0.026 0.000 2.345 1557 G HA2 -0.216 3.745 3.960 0.003 0.000 0.218 1557 G HA3 -0.216 3.745 3.960 0.003 0.000 0.218 1557 G C 0.263 175.150 174.900 -0.020 0.000 1.058 1557 G CA 0.202 45.289 45.100 -0.022 0.000 0.632 1557 G HN 0.697 nan 8.290 nan 0.000 0.508 1558 Q N 0.796 120.588 119.800 -0.014 0.000 2.479 1558 Q HA 0.354 4.696 4.340 0.003 0.000 0.267 1558 Q C 0.255 176.253 176.000 -0.004 0.000 1.071 1558 Q CA 0.559 56.361 55.803 -0.001 0.000 0.935 1558 Q CB 0.277 29.024 28.738 0.014 0.000 1.295 1558 Q HN 0.578 nan 8.270 nan 0.000 0.476 1559 Q N 1.293 121.104 119.800 0.018 0.000 2.271 1559 Q HA 0.368 4.710 4.340 0.003 0.000 0.258 1559 Q C -0.740 175.309 176.000 0.082 0.000 0.936 1559 Q CA -0.460 55.363 55.803 0.033 0.000 0.909 1559 Q CB 1.306 30.063 28.738 0.031 0.000 1.253 1559 Q HN 0.254 nan 8.270 nan 0.000 0.440 1560 R N 1.324 121.902 120.500 0.129 0.000 2.621 1560 R HA 0.421 4.763 4.340 0.003 0.000 0.292 1560 R C -0.970 175.550 176.300 0.366 0.000 0.969 1560 R CA -0.602 55.659 56.100 0.269 0.000 0.887 1560 R CB 2.010 32.557 30.300 0.412 0.000 1.180 1560 R HN 0.560 nan 8.270 nan 0.000 0.450 1561 T N 2.399 117.159 114.554 0.343 0.000 2.781 1561 T HA 0.425 4.777 4.350 0.003 0.000 0.305 1561 T C -0.123 174.812 174.700 0.392 0.000 1.001 1561 T CA -0.399 61.887 62.100 0.310 0.000 0.950 1561 T CB 0.027 68.992 68.868 0.163 0.000 0.955 1561 T HN 0.159 nan 8.240 nan 0.000 0.471 1562 F N 2.521 122.569 119.950 0.164 0.000 2.403 1562 F HA 0.678 5.207 4.527 0.003 0.000 0.326 1562 F C 0.567 176.435 175.800 0.113 0.000 1.081 1562 F CA -1.710 56.394 58.000 0.174 0.000 1.041 1562 F CB 0.895 39.995 39.000 0.166 0.000 1.234 1562 F HN 0.389 nan 8.300 nan 0.000 0.503 1563 I N 0.388 121.087 120.570 0.215 0.000 2.865 1563 I HA 0.588 4.759 4.170 0.003 0.000 0.302 1563 I C -0.663 175.512 176.117 0.098 0.000 1.140 1563 I CA -0.804 60.551 61.300 0.092 0.000 1.021 1563 I CB 2.208 40.272 38.000 0.107 0.000 1.233 1563 I HN 0.432 nan 8.210 nan 0.000 0.427 1564 S N 3.220 118.951 115.700 0.052 0.000 2.556 1564 S HA 0.646 5.118 4.470 0.003 0.000 0.271 1564 S C -2.924 171.706 174.600 0.051 0.000 1.135 1564 S CA -1.244 56.996 58.200 0.066 0.000 0.858 1564 S CB 2.361 65.640 63.200 0.131 0.000 1.114 1564 S HN 0.271 nan 8.310 nan 0.000 0.468 1565 P HA 0.270 nan 4.420 nan 0.000 0.271 1565 P C 0.683 177.999 177.300 0.025 0.000 1.216 1565 P CA -0.218 62.901 63.100 0.033 0.000 0.776 1565 P CB 0.305 32.003 31.700 -0.003 0.000 0.881 1566 I N 2.185 122.773 120.570 0.029 0.000 3.010 1566 I HA -0.204 3.968 4.170 0.003 0.000 0.271 1566 I C 1.035 177.155 176.117 0.005 0.000 1.293 1566 I CA 1.236 62.545 61.300 0.016 0.000 1.452 1566 I CB -0.005 38.008 38.000 0.021 0.000 1.082 1566 I HN 0.296 nan 8.210 nan 0.000 0.484 1567 K N -0.681 119.718 120.400 -0.002 0.000 2.404 1567 K HA 0.133 4.454 4.320 0.003 0.000 0.194 1567 K C 0.936 177.528 176.600 -0.012 0.000 1.023 1567 K CA 0.055 56.335 56.287 -0.012 0.000 1.094 1567 K CB 0.230 32.715 32.500 -0.025 0.000 0.841 1567 K HN 0.340 nan 8.250 nan 0.000 0.523 1568 c N 1.298 119.896 118.600 -0.004 0.000 2.760 1568 c HA 0.260 4.831 4.570 0.003 0.000 0.293 1568 c C 1.794 175.883 174.090 -0.002 0.000 1.383 1568 c CA -0.672 55.652 56.329 -0.008 0.000 1.771 1568 c CB -0.718 41.789 42.510 -0.006 0.000 2.353 1568 c HN 0.371 nan 8.230 nan 0.000 0.578 1569 R N 1.369 121.872 120.500 0.004 0.000 2.159 1569 R HA -0.171 4.171 4.340 0.003 0.000 0.237 1569 R C 1.900 178.194 176.300 -0.010 0.000 1.131 1569 R CA 1.207 57.313 56.100 0.010 0.000 0.982 1569 R CB -0.141 30.164 30.300 0.008 0.000 0.868 1569 R HN 0.704 nan 8.270 nan 0.000 0.453 1570 E N 0.418 120.606 120.200 -0.021 0.000 2.122 1570 E HA -0.017 4.335 4.350 0.003 0.000 0.190 1570 E C 1.914 178.485 176.600 -0.049 0.000 0.977 1570 E CA 0.619 57.000 56.400 -0.032 0.000 0.820 1570 E CB 0.053 29.736 29.700 -0.029 0.000 0.770 1570 E HN 0.245 nan 8.360 nan 0.000 0.462 1571 A N 1.028 123.814 122.820 -0.056 0.000 1.917 1571 A HA -0.088 4.234 4.320 0.003 0.000 0.219 1571 A C 1.029 178.550 177.584 -0.105 0.000 1.182 1571 A CA 0.866 52.853 52.037 -0.083 0.000 0.633 1571 A CB -0.031 18.918 19.000 -0.086 0.000 0.819 1571 A HN 0.265 nan 8.150 nan 0.000 0.448 1572 L N 0.207 121.370 121.223 -0.100 0.000 2.372 1572 L HA 0.336 4.677 4.340 0.003 0.000 0.274 1572 L C -0.972 175.832 176.870 -0.109 0.000 0.988 1572 L CA -0.525 54.234 54.840 -0.134 0.000 0.833 1572 L CB 1.638 43.575 42.059 -0.204 0.000 1.236 1572 L HN 0.053 nan 8.230 nan 0.000 0.410 1573 K N 4.266 124.611 120.400 -0.092 0.000 2.363 1573 K HA 0.242 4.563 4.320 0.003 0.000 0.289 1573 K C -0.312 176.252 176.600 -0.061 0.000 1.063 1573 K CA -0.225 56.022 56.287 -0.068 0.000 0.967 1573 K CB 0.389 32.847 32.500 -0.069 0.000 0.987 1573 K HN 0.403 nan 8.250 nan 0.000 0.473 1574 L N 3.062 124.252 121.223 -0.055 0.000 2.290 1574 L HA 0.282 4.624 4.340 0.003 0.000 0.284 1574 L C 0.105 176.985 176.870 0.017 0.000 1.078 1574 L CA -0.013 54.793 54.840 -0.057 0.000 0.815 1574 L CB 1.006 43.035 42.059 -0.051 0.000 1.162 1574 L HN 0.596 nan 8.230 nan 0.000 0.435 1575 E N 1.964 122.212 120.200 0.080 0.000 2.340 1575 E HA 0.332 4.683 4.350 0.003 0.000 0.273 1575 E C -1.097 175.552 176.600 0.081 0.000 0.891 1575 E CA -0.569 55.871 56.400 0.068 0.000 0.757 1575 E CB 2.164 31.895 29.700 0.051 0.000 1.231 1575 E HN 0.462 nan 8.360 nan 0.000 0.439 1576 E N 2.653 122.874 120.200 0.035 0.000 2.319 1576 E HA 0.196 4.548 4.350 0.003 0.000 0.268 1576 E C -0.195 176.382 176.600 -0.037 0.000 1.050 1576 E CA -0.574 55.833 56.400 0.012 0.000 0.878 1576 E CB 0.889 30.595 29.700 0.009 0.000 1.066 1576 E HN 0.437 nan 8.360 nan 0.000 0.406 1577 K N 0.087 120.431 120.400 -0.093 0.000 3.529 1577 K HA -0.205 4.117 4.320 0.003 0.000 0.313 1577 K C -0.339 176.091 176.600 -0.284 0.000 1.316 1577 K CA 1.169 57.344 56.287 -0.186 0.000 0.988 1577 K CB -1.290 31.150 32.500 -0.099 0.000 1.252 1577 K HN 0.518 nan 8.250 nan 0.000 0.438 1578 K N 1.784 122.057 120.400 -0.211 0.000 2.383 1578 K HA 0.106 4.428 4.320 0.003 0.000 0.286 1578 K C 0.111 176.296 176.600 -0.692 0.000 1.051 1578 K CA 0.069 56.173 56.287 -0.306 0.000 0.974 1578 K CB 0.253 32.637 32.500 -0.195 0.000 0.968 1578 K HN 0.140 nan 8.250 nan 0.000 0.475 1579 H N 1.392 120.143 119.070 -0.531 0.000 2.607 1579 H HA 0.210 4.768 4.556 0.003 0.000 0.367 1579 H C -0.938 174.002 175.328 -0.648 0.000 1.181 1579 H CA 0.509 56.259 56.048 -0.496 0.000 1.402 1579 H CB 0.441 29.945 29.762 -0.430 0.000 1.474 1579 H HN 0.360 nan 8.280 nan 0.000 0.596 1580 Y N 0.084 120.445 120.300 0.102 0.000 2.513 1580 Y HA 0.244 4.796 4.550 0.003 0.000 0.340 1580 Y C -1.057 175.012 175.900 0.281 0.000 1.055 1580 Y CA -1.027 57.172 58.100 0.166 0.000 1.020 1580 Y CB 1.405 39.881 38.460 0.025 0.000 1.301 1580 Y HN 0.430 nan 8.280 nan 0.000 0.453 1581 L N 4.196 125.781 121.223 0.603 0.000 2.295 1581 L HA 0.855 5.196 4.340 0.003 0.000 0.285 1581 L C -1.170 175.978 176.870 0.464 0.000 1.035 1581 L CA -0.426 54.774 54.840 0.601 0.000 0.806 1581 L CB 0.804 43.234 42.059 0.619 0.000 1.214 1581 L HN 0.757 nan 8.230 nan 0.000 0.426 1582 M N 4.770 124.654 119.600 0.473 0.000 2.471 1582 M HA 0.485 4.967 4.480 0.003 0.000 0.284 1582 M C -1.924 174.676 176.300 0.500 0.000 1.203 1582 M CA -0.275 55.235 55.300 0.351 0.000 0.915 1582 M CB 2.257 34.982 32.600 0.210 0.000 1.734 1582 M HN 0.779 nan 8.290 nan 0.000 0.485 1583 W N 0.863 122.288 121.300 0.210 0.000 3.075 1583 W HA 0.964 5.625 4.660 0.002 0.000 0.334 1583 W C -0.798 175.595 176.519 -0.211 0.000 1.243 1583 W CA -0.424 56.876 57.345 -0.074 0.000 1.170 1583 W CB 0.625 29.999 29.460 -0.143 0.000 1.452 1583 W HN 0.815 nan 8.180 nan 0.000 0.572 1584 G N 0.104 108.476 108.800 -0.713 0.000 2.793 1584 G HA2 0.668 4.630 3.960 0.003 0.000 0.248 1584 G HA3 0.668 4.630 3.960 0.003 0.000 0.248 1584 G C -1.676 172.976 174.900 -0.414 0.000 1.198 1584 G CA -1.021 43.816 45.100 -0.438 0.000 0.865 1584 G HN 0.768 nan 8.290 nan 0.000 0.534 1585 L N -0.132 121.049 121.223 -0.070 0.000 2.256 1585 L HA 0.532 4.874 4.340 0.003 0.000 0.261 1585 L C 1.264 178.356 176.870 0.371 0.000 1.022 1585 L CA -0.613 54.289 54.840 0.103 0.000 0.828 1585 L CB 2.073 44.203 42.059 0.119 0.000 1.374 1585 L HN 0.607 nan 8.230 nan 0.000 0.436 1586 S N -2.198 113.754 115.700 0.419 0.000 2.631 1586 S HA -0.035 4.437 4.470 0.003 0.000 0.217 1586 S C 1.061 175.984 174.600 0.537 0.000 0.958 1586 S CA 0.229 58.840 58.200 0.685 0.000 0.920 1586 S CB -0.348 63.087 63.200 0.391 0.000 0.776 1586 S HN 0.713 nan 8.310 nan 0.000 0.517 1587 S N -0.011 115.888 115.700 0.332 0.000 2.557 1587 S HA 0.229 4.700 4.470 0.003 0.000 0.223 1587 S C 0.216 174.924 174.600 0.180 0.000 0.969 1587 S CA -0.341 57.994 58.200 0.225 0.000 0.927 1587 S CB -0.052 63.230 63.200 0.137 0.000 0.806 1587 S HN 0.251 nan 8.310 nan 0.000 0.489 1588 D N 0.818 121.337 120.400 0.197 0.000 2.342 1588 D HA 0.333 4.975 4.640 0.003 0.000 0.221 1588 D C -0.704 175.539 176.300 -0.095 0.000 1.101 1588 D CA -0.237 53.787 54.000 0.039 0.000 0.837 1588 D CB -0.099 40.757 40.800 0.094 0.000 0.938 1588 D HN 0.373 nan 8.370 nan 0.000 0.508 1589 F N 0.308 120.279 119.950 0.036 0.000 2.412 1589 F HA 0.261 4.790 4.527 0.003 0.000 0.348 1589 F C 0.441 176.342 175.800 0.170 0.000 1.102 1589 F CA -0.489 57.496 58.000 -0.024 0.000 1.196 1589 F CB 0.905 39.886 39.000 -0.030 0.000 1.144 1589 F HN -0.109 nan 8.300 nan 0.000 0.541 1590 W N 4.612 125.914 121.300 0.003 0.000 2.532 1590 W HA 0.466 5.127 4.660 0.003 0.000 0.321 1590 W C 0.296 176.823 176.519 0.013 0.000 1.037 1590 W CA -0.689 56.656 57.345 -0.001 0.000 1.220 1590 W CB 1.500 30.940 29.460 -0.034 0.000 1.361 1590 W HN 0.856 nan 8.180 nan 0.000 0.468 1591 G N 3.547 112.275 108.800 -0.121 0.000 2.801 1591 G HA2 -0.282 3.680 3.960 0.003 0.000 0.244 1591 G HA3 -0.282 3.680 3.960 0.003 0.000 0.244 1591 G C -0.173 174.689 174.900 -0.064 0.000 1.385 1591 G CA -0.529 44.428 45.100 -0.239 0.000 0.894 1591 G HN 0.570 nan 8.290 nan 0.000 0.562 1592 E N 0.384 120.534 120.200 -0.083 0.000 2.351 1592 E HA 0.401 4.753 4.350 0.003 0.000 0.255 1592 E C 0.543 177.125 176.600 -0.031 0.000 1.188 1592 E CA -0.350 56.020 56.400 -0.049 0.000 0.940 1592 E CB 0.623 30.290 29.700 -0.056 0.000 1.094 1592 E HN 0.560 nan 8.360 nan 0.000 0.474 1593 K N 0.730 121.112 120.400 -0.031 0.000 2.098 1593 K HA 0.278 4.599 4.320 0.003 0.000 0.257 1593 K C -1.821 174.770 176.600 -0.016 0.000 0.999 1593 K CA -1.420 54.855 56.287 -0.020 0.000 0.924 1593 K CB 0.275 32.755 32.500 -0.034 0.000 1.028 1593 K HN 0.183 nan 8.250 nan 0.000 0.466 1594 P HA 0.145 nan 4.420 nan 0.000 0.258 1594 P C -0.991 176.321 177.300 0.019 0.000 1.416 1594 P CA -0.027 63.080 63.100 0.011 0.000 0.927 1594 P CB 0.173 31.882 31.700 0.015 0.000 1.444 1595 N N 0.635 119.339 118.700 0.007 0.000 3.259 1595 N HA 0.129 4.870 4.740 0.003 0.000 0.308 1595 N C -0.124 175.393 175.510 0.012 0.000 1.334 1595 N CA 0.129 53.185 53.050 0.010 0.000 1.202 1595 N CB -0.477 38.006 38.487 -0.006 0.000 1.485 1595 N HN 0.219 nan 8.380 nan 0.000 0.549 1596 L N -0.106 121.134 121.223 0.028 0.000 2.418 1596 L HA 0.377 4.718 4.340 0.003 0.000 0.265 1596 L C 0.504 177.354 176.870 -0.032 0.000 1.143 1596 L CA -0.143 54.715 54.840 0.030 0.000 0.809 1596 L CB 0.834 42.948 42.059 0.092 0.000 1.124 1596 L HN 0.180 nan 8.230 nan 0.000 0.456 1597 S N -0.332 115.315 115.700 -0.090 0.000 2.704 1597 S HA 0.661 5.133 4.470 0.003 0.000 0.296 1597 S C -1.400 172.868 174.600 -0.552 0.000 1.138 1597 S CA -0.681 57.439 58.200 -0.133 0.000 0.875 1597 S CB 1.608 64.887 63.200 0.133 0.000 1.151 1597 S HN 0.264 nan 8.310 nan 0.000 0.500 1598 Y N 0.345 120.360 120.300 -0.475 0.000 2.446 1598 Y HA 0.546 5.097 4.550 0.003 0.000 0.345 1598 Y C -0.186 175.386 175.900 -0.547 0.000 0.984 1598 Y CA -0.952 56.606 58.100 -0.903 0.000 1.058 1598 Y CB 1.082 38.203 38.460 -2.231 0.000 1.220 1598 Y HN 0.383 nan 8.280 nan 0.000 0.455 1599 I N 4.454 124.869 120.570 -0.259 0.000 2.336 1599 I HA 0.244 4.416 4.170 0.003 0.000 0.292 1599 I C -0.190 175.891 176.117 -0.059 0.000 0.991 1599 I CA -0.596 60.596 61.300 -0.181 0.000 1.227 1599 I CB 1.578 39.419 38.000 -0.264 0.000 1.366 1599 I HN 0.605 nan 8.210 nan 0.000 0.466 1600 I N 5.947 126.520 120.570 0.005 0.000 2.311 1600 I HA 0.196 4.368 4.170 0.003 0.000 0.297 1600 I C 0.850 176.967 176.117 0.000 0.000 1.131 1600 I CA 0.402 61.738 61.300 0.061 0.000 1.289 1600 I CB 0.402 38.468 38.000 0.109 0.000 1.446 1600 I HN 0.704 nan 8.210 nan 0.000 0.524 1601 G N 5.144 113.943 108.800 -0.002 0.000 3.119 1601 G HA2 0.307 4.269 3.960 0.003 0.000 0.206 1601 G HA3 0.307 4.269 3.960 0.003 0.000 0.206 1601 G C 0.506 175.388 174.900 -0.029 0.000 1.313 1601 G CA -0.373 44.713 45.100 -0.024 0.000 1.010 1601 G HN 0.571 nan 8.290 nan 0.000 0.578 1602 K N -0.780 119.605 120.400 -0.025 0.000 2.044 1602 K HA 0.091 4.412 4.320 0.003 0.000 0.204 1602 K C 1.166 177.762 176.600 -0.007 0.000 1.045 1602 K CA 1.327 57.600 56.287 -0.023 0.000 0.951 1602 K CB -0.134 32.358 32.500 -0.014 0.000 0.738 1602 K HN 0.141 nan 8.250 nan 0.000 0.443 1603 D N 1.402 121.810 120.400 0.012 0.000 2.403 1603 D HA -0.037 4.605 4.640 0.003 0.000 0.227 1603 D C -0.049 176.259 176.300 0.014 0.000 0.995 1603 D CA 0.792 54.812 54.000 0.035 0.000 0.928 1603 D CB -0.193 40.635 40.800 0.046 0.000 0.887 1603 D HN 0.257 nan 8.370 nan 0.000 0.529 1604 T N -0.132 114.412 114.554 -0.018 0.000 2.934 1604 T HA 0.247 4.599 4.350 0.003 0.000 0.283 1604 T C -0.469 174.141 174.700 -0.151 0.000 1.005 1604 T CA -0.744 61.313 62.100 -0.072 0.000 1.041 1604 T CB 1.902 70.790 68.868 0.034 0.000 1.042 1604 T HN 0.090 nan 8.240 nan 0.000 0.505 1605 W N 2.363 123.302 121.300 -0.601 0.000 2.656 1605 W HA 0.628 5.289 4.660 0.002 0.000 0.327 1605 W C -2.148 174.045 176.519 -0.543 0.000 1.041 1605 W CA -0.797 56.098 57.345 -0.751 0.000 1.229 1605 W CB 1.171 29.643 29.460 -1.646 0.000 1.397 1605 W HN 0.340 nan 8.180 nan 0.000 0.479 1606 V N 5.611 125.107 119.914 -0.697 0.000 2.577 1606 V HA 0.376 4.498 4.120 0.003 0.000 0.303 1606 V C -0.818 175.048 176.094 -0.380 0.000 1.042 1606 V CA -0.610 61.453 62.300 -0.396 0.000 0.872 1606 V CB 2.058 33.698 31.823 -0.304 0.000 0.998 1606 V HN 0.496 nan 8.190 nan 0.000 0.423 1607 E N 2.438 122.618 120.200 -0.034 0.000 2.290 1607 E HA 0.304 4.655 4.350 0.003 0.000 0.274 1607 E C -1.128 175.666 176.600 0.323 0.000 0.889 1607 E CA -0.746 55.724 56.400 0.117 0.000 0.760 1607 E CB 2.157 32.013 29.700 0.259 0.000 1.206 1607 E HN 0.808 nan 8.360 nan 0.000 0.419 1608 H N 4.414 123.626 119.070 0.235 0.000 3.015 1608 H HA 0.002 4.560 4.556 0.003 0.000 0.268 1608 H C -0.829 174.629 175.328 0.218 0.000 1.113 1608 H CA -0.265 55.972 56.048 0.314 0.000 1.479 1608 H CB 0.457 30.344 29.762 0.208 0.000 1.493 1608 H HN 0.502 nan 8.280 nan 0.000 0.486 1609 W N 9.210 130.300 121.300 -0.350 0.000 2.419 1609 W HA 0.187 4.848 4.660 0.003 0.000 0.312 1609 W C -2.530 173.621 176.519 -0.613 0.000 1.323 1609 W CA -2.563 54.582 57.345 -0.332 0.000 1.293 1609 W CB 0.519 29.905 29.460 -0.124 0.000 1.324 1609 W HN 0.573 nan 8.180 nan 0.000 0.512 1610 P HA -0.041 nan 4.420 nan 0.000 0.278 1610 P C -0.682 176.676 177.300 0.097 0.000 1.270 1610 P CA 0.292 63.343 63.100 -0.081 0.000 0.800 1610 P CB 0.666 32.351 31.700 -0.024 0.000 1.142 1611 E N -0.960 119.281 120.200 0.068 0.000 2.232 1611 E HA 0.144 4.496 4.350 0.003 0.000 0.264 1611 E C 0.913 177.533 176.600 0.033 0.000 0.973 1611 E CA -0.459 55.965 56.400 0.041 0.000 0.849 1611 E CB 0.570 30.303 29.700 0.056 0.000 1.198 1611 E HN 0.262 nan 8.360 nan 0.000 0.407 1612 E N 1.016 121.212 120.200 -0.006 0.000 2.045 1612 E HA -0.263 4.089 4.350 0.003 0.000 0.212 1612 E C 0.591 177.201 176.600 0.017 0.000 1.039 1612 E CA 2.573 58.975 56.400 0.003 0.000 0.860 1612 E CB -0.156 29.534 29.700 -0.017 0.000 0.776 1612 E HN 0.625 nan 8.360 nan 0.000 0.467 1613 D N -0.844 119.566 120.400 0.016 0.000 2.328 1613 D HA -0.014 4.628 4.640 0.003 0.000 0.226 1613 D C 0.954 177.269 176.300 0.024 0.000 1.066 1613 D CA 0.234 54.245 54.000 0.018 0.000 0.861 1613 D CB -0.103 40.706 40.800 0.015 0.000 0.912 1613 D HN 0.415 nan 8.370 nan 0.000 0.521 1614 E N -0.531 119.689 120.200 0.032 0.000 2.276 1614 E HA 0.041 4.393 4.350 0.003 0.000 0.193 1614 E C 0.998 177.616 176.600 0.031 0.000 0.983 1614 E CA 0.112 56.536 56.400 0.039 0.000 0.861 1614 E CB 0.138 29.876 29.700 0.062 0.000 0.817 1614 E HN 0.245 nan 8.360 nan 0.000 0.485 1615 c N 1.767 120.383 118.600 0.026 0.000 2.491 1615 c HA 0.005 4.577 4.570 0.003 0.000 0.277 1615 c C 2.148 176.244 174.090 0.010 0.000 1.455 1615 c CA 0.138 56.476 56.329 0.014 0.000 1.758 1615 c CB -0.567 41.950 42.510 0.012 0.000 1.745 1615 c HN 0.402 nan 8.230 nan 0.000 0.558 1616 Q N 0.737 120.545 119.800 0.013 0.000 2.364 1616 Q HA -0.017 4.325 4.340 0.003 0.000 0.207 1616 Q C 0.659 176.665 176.000 0.009 0.000 0.970 1616 Q CA 0.818 56.627 55.803 0.010 0.000 0.888 1616 Q CB -0.429 28.316 28.738 0.011 0.000 0.951 1616 Q HN 0.649 nan 8.270 nan 0.000 0.469 1617 D N 2.064 122.470 120.400 0.011 0.000 2.378 1617 D HA -0.091 4.551 4.640 0.003 0.000 0.238 1617 D C 0.606 176.910 176.300 0.006 0.000 1.180 1617 D CA 0.219 54.225 54.000 0.010 0.000 0.895 1617 D CB 0.681 41.490 40.800 0.014 0.000 1.192 1617 D HN 0.255 nan 8.370 nan 0.000 0.438 1618 E N 0.700 120.903 120.200 0.005 0.000 2.423 1618 E HA 0.132 4.484 4.350 0.003 0.000 0.198 1618 E C 0.098 176.699 176.600 0.001 0.000 1.038 1618 E CA 0.046 56.447 56.400 0.002 0.000 1.011 1618 E CB 0.103 29.805 29.700 0.002 0.000 1.118 1618 E HN 0.466 nan 8.360 nan 0.000 0.451 1619 E N -0.135 120.066 120.200 0.003 0.000 2.603 1619 E HA 0.084 4.436 4.350 0.003 0.000 0.218 1619 E C 0.744 177.345 176.600 0.001 0.000 0.878 1619 E CA -0.089 56.312 56.400 0.002 0.000 1.348 1619 E CB 0.378 30.081 29.700 0.004 0.000 1.318 1619 E HN 0.102 nan 8.360 nan 0.000 0.673 1620 N N 1.279 119.981 118.700 0.002 0.000 2.463 1620 N HA -0.040 4.701 4.740 0.003 0.000 0.181 1620 N C 1.399 176.897 175.510 -0.020 0.000 1.078 1620 N CA 0.570 53.619 53.050 -0.002 0.000 0.902 1620 N CB 0.130 38.622 38.487 0.008 0.000 0.970 1620 N HN 0.211 nan 8.380 nan 0.000 0.451 1621 Q N 0.421 120.211 119.800 -0.016 0.000 2.124 1621 Q HA -0.085 4.257 4.340 0.003 0.000 0.202 1621 Q C 1.584 177.565 176.000 -0.031 0.000 0.977 1621 Q CA 1.113 56.903 55.803 -0.022 0.000 0.850 1621 Q CB -0.036 28.695 28.738 -0.013 0.000 0.901 1621 Q HN 0.076 nan 8.270 nan 0.000 0.429 1622 K N 0.972 121.357 120.400 -0.025 0.000 2.360 1622 K HA -0.197 4.125 4.320 0.003 0.000 0.201 1622 K C 1.727 178.301 176.600 -0.044 0.000 1.046 1622 K CA 1.283 57.554 56.287 -0.027 0.000 0.945 1622 K CB 0.072 32.562 32.500 -0.016 0.000 0.750 1622 K HN 0.264 nan 8.250 nan 0.000 0.464 1623 Q N -1.238 118.526 119.800 -0.060 0.000 2.252 1623 Q HA -0.043 4.299 4.340 0.003 0.000 0.195 1623 Q C 1.962 177.864 176.000 -0.163 0.000 0.974 1623 Q CA 1.094 56.837 55.803 -0.100 0.000 0.846 1623 Q CB -0.300 28.383 28.738 -0.092 0.000 0.943 1623 Q HN 0.355 nan 8.270 nan 0.000 0.516 1624 c N 1.562 120.068 118.600 -0.158 0.000 2.398 1624 c HA -0.179 4.392 4.570 0.003 0.000 0.279 1624 c C 2.564 176.570 174.090 -0.141 0.000 1.250 1624 c CA 1.108 57.325 56.329 -0.186 0.000 1.786 1624 c CB -1.070 41.383 42.510 -0.095 0.000 2.018 1624 c HN 0.594 nan 8.230 nan 0.000 0.494 1625 Q N 0.432 120.177 119.800 -0.091 0.000 2.008 1625 Q HA -0.123 4.219 4.340 0.003 0.000 0.196 1625 Q C 1.938 177.902 176.000 -0.060 0.000 0.973 1625 Q CA 1.138 56.907 55.803 -0.056 0.000 0.826 1625 Q CB -0.268 28.449 28.738 -0.035 0.000 0.894 1625 Q HN 0.577 nan 8.270 nan 0.000 0.439 1626 D N 1.090 121.448 120.400 -0.071 0.000 2.126 1626 D HA -0.197 4.445 4.640 0.003 0.000 0.190 1626 D C 2.021 178.280 176.300 -0.069 0.000 1.001 1626 D CA 1.150 55.112 54.000 -0.063 0.000 0.841 1626 D CB -0.279 40.474 40.800 -0.078 0.000 0.949 1626 D HN 0.158 nan 8.370 nan 0.000 0.446 1627 L N 0.513 121.628 121.223 -0.180 0.000 1.956 1627 L HA -0.173 4.168 4.340 0.003 0.000 0.216 1627 L C 2.713 179.541 176.870 -0.070 0.000 1.073 1627 L CA 1.738 56.414 54.840 -0.274 0.000 0.762 1627 L CB -1.261 40.346 42.059 -0.753 0.000 0.889 1627 L HN 0.111 nan 8.230 nan 0.000 0.433 1628 G N -0.270 108.486 108.800 -0.072 0.000 2.681 1628 G HA2 -0.390 3.572 3.960 0.003 0.000 0.220 1628 G HA3 -0.390 3.572 3.960 0.003 0.000 0.220 1628 G C 1.708 176.653 174.900 0.075 0.000 1.210 1628 G CA 1.559 46.688 45.100 0.049 0.000 0.783 1628 G HN 0.539 nan 8.290 nan 0.000 0.609 1629 A N 0.311 123.160 122.820 0.049 0.000 1.873 1629 A HA -0.069 4.253 4.320 0.003 0.000 0.218 1629 A C 2.257 179.882 177.584 0.069 0.000 1.193 1629 A CA 2.030 54.095 52.037 0.047 0.000 0.629 1629 A CB -0.778 18.239 19.000 0.029 0.000 0.826 1629 A HN 0.574 nan 8.150 nan 0.000 0.447 1630 F N 1.580 121.499 119.950 -0.052 0.000 2.147 1630 F HA -0.233 4.296 4.527 0.003 0.000 0.301 1630 F C 2.444 178.238 175.800 -0.010 0.000 1.084 1630 F CA 2.369 60.333 58.000 -0.061 0.000 1.268 1630 F CB -0.721 38.222 39.000 -0.095 0.000 1.009 1630 F HN 0.246 nan 8.300 nan 0.000 0.486 1631 T N 0.088 114.695 114.554 0.089 0.000 2.652 1631 T HA -0.228 4.123 4.350 0.003 0.000 0.267 1631 T C 1.711 176.384 174.700 -0.045 0.000 1.039 1631 T CA 1.943 64.077 62.100 0.056 0.000 1.153 1631 T CB -0.398 68.596 68.868 0.210 0.000 0.863 1631 T HN 0.417 nan 8.240 nan 0.000 0.428 1632 E N 0.898 121.096 120.200 -0.005 0.000 2.150 1632 E HA -0.054 4.297 4.350 0.003 0.000 0.193 1632 E C 2.310 178.899 176.600 -0.018 0.000 0.985 1632 E CA 0.963 57.365 56.400 0.002 0.000 0.814 1632 E CB -0.146 29.573 29.700 0.032 0.000 0.752 1632 E HN 0.331 nan 8.360 nan 0.000 0.466 1633 S N -0.281 115.371 115.700 -0.080 0.000 2.515 1633 S HA -0.023 4.449 4.470 0.003 0.000 0.231 1633 S C 1.560 176.059 174.600 -0.169 0.000 0.987 1633 S CA 0.601 58.745 58.200 -0.093 0.000 0.936 1633 S CB 0.131 63.250 63.200 -0.135 0.000 0.766 1633 S HN 0.119 nan 8.310 nan 0.000 0.528 1634 M N 0.596 120.024 119.600 -0.286 0.000 2.379 1634 M HA 0.215 4.697 4.480 0.003 0.000 0.265 1634 M C 1.801 178.013 176.300 -0.147 0.000 1.095 1634 M CA 0.459 55.571 55.300 -0.314 0.000 1.075 1634 M CB 0.026 32.260 32.600 -0.610 0.000 1.443 1634 M HN 0.357 nan 8.290 nan 0.000 0.519 1635 V N -3.428 116.431 119.914 -0.091 0.000 2.672 1635 V HA 0.095 4.216 4.120 0.003 0.000 0.242 1635 V C 1.942 178.015 176.094 -0.034 0.000 1.059 1635 V CA 0.704 62.979 62.300 -0.042 0.000 1.081 1635 V CB -0.805 31.006 31.823 -0.019 0.000 0.752 1635 V HN 0.156 nan 8.190 nan 0.000 0.472 1636 V N -0.927 118.974 119.914 -0.021 0.000 2.446 1636 V HA 0.090 4.212 4.120 0.003 0.000 0.244 1636 V C 2.076 178.075 176.094 -0.159 0.000 1.039 1636 V CA 1.860 64.114 62.300 -0.078 0.000 1.045 1636 V CB 0.216 32.003 31.823 -0.061 0.000 0.681 1636 V HN 0.448 nan 8.190 nan 0.000 0.459 1637 F N 0.050 119.959 119.950 -0.070 0.000 2.287 1637 F HA 0.584 5.113 4.527 0.003 0.000 0.276 1637 F C 1.520 177.275 175.800 -0.076 0.000 1.047 1637 F CA 1.527 59.487 58.000 -0.067 0.000 1.194 1637 F CB -0.013 38.944 39.000 -0.072 0.000 1.118 1637 F HN 0.372 nan 8.300 nan 0.000 0.556 1638 G N -0.708 108.160 108.800 0.113 0.000 2.378 1638 G HA2 -0.177 3.784 3.960 0.003 0.000 0.198 1638 G HA3 -0.177 3.784 3.960 0.003 0.000 0.198 1638 G C -1.388 173.500 174.900 -0.020 0.000 1.223 1638 G CA -0.871 44.232 45.100 0.005 0.000 1.088 1638 G HN 0.349 nan 8.290 nan 0.000 0.530 1639 c N 2.259 120.838 118.600 -0.035 0.000 2.435 1639 c HA 0.529 5.101 4.570 0.003 0.000 0.375 1639 c C 0.133 174.208 174.090 -0.024 0.000 1.281 1639 c CA 0.061 56.360 56.329 -0.050 0.000 1.963 1639 c CB 0.868 43.344 42.510 -0.058 0.000 2.490 1639 c HN 0.642 nan 8.230 nan 0.000 0.557 1640 P HA -0.128 nan 4.420 nan 0.000 0.217 1640 P C 0.610 177.900 177.300 -0.016 0.000 1.151 1640 P CA 1.301 64.381 63.100 -0.032 0.000 0.849 1640 P CB 0.047 31.714 31.700 -0.055 0.000 0.787 1641 N N 0.000 118.688 118.700 -0.021 0.000 1.763 1641 N HA 0.000 4.742 4.740 0.003 0.000 0.220 1641 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 1641 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667