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 2wyr_1_E DATA FIRST_RESID 1325 DATA SEQUENCE MSMIEKLKKF TQIPGISGYE ERIREEIIRE IKDFADYKVD AIGNLIVELG DATA SEQUENCE EGEERILFMA HMDEIGLLIT GITDEGKLRF RKVGGIDDRL LYGRHVNVVT DATA SEQUENCE EKGILDGVIG ATPPHLXXXX XKSVIPWYDL VIDIGAESKE EALELVKPLD DATA SEQUENCE FAVFKKHFSV LNGKYVSTRG LDDRFGVVAL IEAIKDLVDH ELEGKVIFAF DATA SEQUENCE TVQEEVGLKG AKFLANHYYP QYAFAIDSFA CCSPLTGDVK LGKGPVIRAV DATA SEQUENCE DNSAIYSRDL ARKVWSIAEK NGIEIQIGVT GGGTDASAFQ DRSKTLALSV DATA SEQUENCE PIKYLHSEVE TLHLNDLEKL VKLIEALAFE L 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 1325 M HA 0.000 nan 4.480 nan 0.000 0.227 1325 M C 0.000 176.307 176.300 0.012 0.000 1.140 1325 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1325 M CB 0.000 32.603 32.600 0.004 0.000 1.302 1326 S N 0.553 116.259 115.700 0.010 0.000 2.596 1326 S HA 0.313 4.784 4.470 0.001 0.000 0.260 1326 S C 0.756 175.372 174.600 0.026 0.000 1.336 1326 S CA -0.183 58.026 58.200 0.015 0.000 0.993 1326 S CB 0.847 64.056 63.200 0.015 0.000 0.923 1326 S HN 0.876 nan 8.310 nan 0.000 0.567 1327 M N 1.179 120.798 119.600 0.031 0.000 2.117 1327 M HA 0.018 4.499 4.480 0.001 0.000 0.262 1327 M C 1.687 178.037 176.300 0.083 0.000 1.065 1327 M CA 1.434 56.763 55.300 0.049 0.000 1.114 1327 M CB -1.129 31.495 32.600 0.040 0.000 1.361 1327 M HN 0.817 nan 8.290 nan 0.000 0.408 1328 I N 0.037 120.660 120.570 0.089 0.000 2.151 1328 I HA -0.333 3.838 4.170 0.001 0.000 0.243 1328 I C 2.092 178.238 176.117 0.049 0.000 1.080 1328 I CA 1.399 62.786 61.300 0.146 0.000 1.339 1328 I CB -0.624 37.461 38.000 0.141 0.000 1.039 1328 I HN 0.314 nan 8.210 nan 0.000 0.409 1329 E N 0.727 120.924 120.200 -0.006 0.000 2.152 1329 E HA -0.145 4.205 4.350 0.001 0.000 0.192 1329 E C 2.071 178.656 176.600 -0.026 0.000 0.983 1329 E CA 0.872 57.230 56.400 -0.071 0.000 0.818 1329 E CB -0.153 29.518 29.700 -0.049 0.000 0.758 1329 E HN 0.516 nan 8.360 nan 0.000 0.467 1330 K N 0.212 120.642 120.400 0.051 0.000 2.155 1330 K HA -0.061 4.259 4.320 0.001 0.000 0.203 1330 K C 1.995 178.721 176.600 0.209 0.000 1.052 1330 K CA 0.418 56.789 56.287 0.140 0.000 0.948 1330 K CB 0.026 32.602 32.500 0.128 0.000 0.728 1330 K HN -0.008 nan 8.250 nan 0.000 0.448 1331 L N 1.651 122.976 121.223 0.170 0.000 2.027 1331 L HA -0.143 4.198 4.340 0.001 0.000 0.206 1331 L C 2.321 179.326 176.870 0.226 0.000 1.074 1331 L CA 1.742 56.736 54.840 0.256 0.000 0.745 1331 L CB -0.769 41.498 42.059 0.348 0.000 0.898 1331 L HN 0.038 nan 8.230 nan 0.000 0.433 1332 K N 0.206 120.561 120.400 -0.074 0.000 2.032 1332 K HA -0.241 4.080 4.320 0.001 0.000 0.209 1332 K C 2.223 178.745 176.600 -0.130 0.000 1.048 1332 K CA 1.858 57.895 56.287 -0.416 0.000 0.927 1332 K CB -0.265 31.695 32.500 -0.900 0.000 0.712 1332 K HN 0.142 nan 8.250 nan 0.000 0.441 1333 K N -0.678 119.666 120.400 -0.092 0.000 2.009 1333 K HA -0.176 4.145 4.320 0.001 0.000 0.210 1333 K C 1.918 178.442 176.600 -0.127 0.000 1.049 1333 K CA 1.971 58.182 56.287 -0.126 0.000 0.929 1333 K CB -0.288 32.118 32.500 -0.158 0.000 0.714 1333 K HN 0.212 nan 8.250 nan 0.000 0.440 1334 F N 0.792 120.738 119.950 -0.006 0.000 2.367 1334 F HA -0.088 4.440 4.527 0.002 0.000 0.298 1334 F C 2.508 178.335 175.800 0.045 0.000 1.094 1334 F CA 1.508 59.514 58.000 0.010 0.000 1.409 1334 F CB -0.098 38.907 39.000 0.008 0.000 1.064 1334 F HN 0.244 nan 8.300 nan 0.000 0.528 1335 T N -3.363 111.332 114.554 0.236 0.000 3.043 1335 T HA -0.090 4.260 4.350 0.001 0.000 0.263 1335 T C 1.717 176.504 174.700 0.145 0.000 1.094 1335 T CA 0.542 62.767 62.100 0.209 0.000 1.127 1335 T CB -0.112 68.920 68.868 0.273 0.000 0.905 1335 T HN 0.126 nan 8.240 nan 0.000 0.490 1336 Q N 0.635 120.486 119.800 0.084 0.000 2.311 1336 Q HA 0.262 4.603 4.340 0.001 0.000 0.203 1336 Q C 0.793 176.808 176.000 0.026 0.000 0.954 1336 Q CA 0.258 56.087 55.803 0.044 0.000 0.885 1336 Q CB -0.183 28.549 28.738 -0.010 0.000 0.963 1336 Q HN 0.637 nan 8.270 nan 0.000 0.471 1337 I N 3.968 124.548 120.570 0.017 0.000 2.556 1337 I HA 0.027 4.198 4.170 0.001 0.000 0.284 1337 I C -2.022 174.141 176.117 0.076 0.000 1.114 1337 I CA -1.561 59.749 61.300 0.017 0.000 1.418 1337 I CB 0.573 38.562 38.000 -0.018 0.000 1.394 1337 I HN -0.122 nan 8.210 nan 0.000 0.552 1338 P HA 0.307 nan 4.420 nan 0.000 0.293 1338 P C -0.414 177.049 177.300 0.270 0.000 1.300 1338 P CA -0.307 62.908 63.100 0.193 0.000 0.792 1338 P CB 1.472 33.278 31.700 0.175 0.000 0.925 1339 G N 4.320 113.223 108.800 0.172 0.000 2.107 1339 G HA2 0.434 4.395 3.960 0.001 0.000 0.297 1339 G HA3 0.434 4.395 3.960 0.001 0.000 0.297 1339 G C -0.260 174.542 174.900 -0.162 0.000 1.543 1339 G CA -0.608 44.483 45.100 -0.013 0.000 1.115 1339 G HN 0.555 nan 8.290 nan 0.000 0.550 1340 I N -0.525 119.747 120.570 -0.496 0.000 3.322 1340 I HA 0.613 4.784 4.170 0.001 0.000 0.296 1340 I C 0.648 176.658 176.117 -0.179 0.000 1.101 1340 I CA -0.657 60.444 61.300 -0.332 0.000 1.166 1340 I CB 0.695 38.430 38.000 -0.442 0.000 1.475 1340 I HN 0.256 nan 8.210 nan 0.000 0.665 1341 S N 1.653 117.300 115.700 -0.087 0.000 2.563 1341 S HA 0.278 4.749 4.470 0.001 0.000 0.294 1341 S C 1.121 175.749 174.600 0.048 0.000 1.279 1341 S CA 0.483 58.672 58.200 -0.018 0.000 1.069 1341 S CB 0.352 63.540 63.200 -0.020 0.000 0.828 1341 S HN 1.291 nan 8.310 nan 0.000 0.497 1342 G N 2.074 110.867 108.800 -0.011 0.000 2.212 1342 G HA2 -0.296 3.665 3.960 0.001 0.000 0.266 1342 G HA3 -0.296 3.665 3.960 0.001 0.000 0.266 1342 G C -0.007 174.716 174.900 -0.294 0.000 0.978 1342 G CA 0.283 45.317 45.100 -0.110 0.000 0.632 1342 G HN 0.728 nan 8.290 nan 0.000 0.537 1343 Y N 0.612 120.771 120.300 -0.236 0.000 2.557 1343 Y HA 0.528 5.079 4.550 0.002 0.000 0.352 1343 Y C 1.066 176.836 175.900 -0.217 0.000 0.918 1343 Y CA -0.401 57.522 58.100 -0.295 0.000 1.232 1343 Y CB 0.683 38.705 38.460 -0.730 0.000 1.235 1343 Y HN 0.243 nan 8.280 nan 0.000 0.596 1344 E N -0.567 119.615 120.200 -0.031 0.000 2.479 1344 E HA -0.006 4.344 4.350 0.001 0.000 0.193 1344 E C 1.241 177.853 176.600 0.019 0.000 1.049 1344 E CA 0.134 56.536 56.400 0.004 0.000 0.870 1344 E CB 0.221 29.928 29.700 0.012 0.000 0.944 1344 E HN 0.427 nan 8.360 nan 0.000 0.492 1345 E N 0.989 121.201 120.200 0.019 0.000 2.086 1345 E HA -0.266 4.084 4.350 0.001 0.000 0.205 1345 E C 1.669 178.282 176.600 0.022 0.000 1.027 1345 E CA 1.560 57.971 56.400 0.019 0.000 0.830 1345 E CB -0.162 29.559 29.700 0.036 0.000 0.751 1345 E HN 0.216 nan 8.360 nan 0.000 0.456 1346 R N -0.251 120.278 120.500 0.049 0.000 2.115 1346 R HA -0.047 4.294 4.340 0.001 0.000 0.230 1346 R C 2.250 178.554 176.300 0.006 0.000 1.111 1346 R CA 1.092 57.210 56.100 0.029 0.000 0.976 1346 R CB -0.325 30.009 30.300 0.058 0.000 0.870 1346 R HN 0.170 nan 8.270 nan 0.000 0.445 1347 I N 0.398 120.989 120.570 0.034 0.000 2.233 1347 I HA -0.205 3.965 4.170 0.001 0.000 0.243 1347 I C 2.605 178.739 176.117 0.028 0.000 1.093 1347 I CA 1.271 62.606 61.300 0.059 0.000 1.380 1347 I CB -0.358 37.701 38.000 0.099 0.000 1.067 1347 I HN 0.029 nan 8.210 nan 0.000 0.413 1348 R N 0.766 121.263 120.500 -0.006 0.000 2.081 1348 R HA -0.188 4.153 4.340 0.001 0.000 0.235 1348 R C 2.158 178.394 176.300 -0.106 0.000 1.131 1348 R CA 1.443 57.506 56.100 -0.063 0.000 0.960 1348 R CB -0.111 30.166 30.300 -0.039 0.000 0.856 1348 R HN 0.241 nan 8.270 nan 0.000 0.436 1349 E N 0.605 120.761 120.200 -0.073 0.000 2.085 1349 E HA -0.223 4.128 4.350 0.001 0.000 0.194 1349 E C 1.813 178.351 176.600 -0.103 0.000 0.994 1349 E CA 1.295 57.644 56.400 -0.086 0.000 0.801 1349 E CB -0.179 29.489 29.700 -0.052 0.000 0.743 1349 E HN 0.366 nan 8.360 nan 0.000 0.453 1350 E N 0.625 120.769 120.200 -0.094 0.000 2.150 1350 E HA -0.066 4.285 4.350 0.001 0.000 0.193 1350 E C 2.039 178.623 176.600 -0.028 0.000 0.985 1350 E CA 0.596 56.921 56.400 -0.124 0.000 0.814 1350 E CB -0.195 29.340 29.700 -0.276 0.000 0.752 1350 E HN 0.269 nan 8.360 nan 0.000 0.466 1351 I N -0.029 120.526 120.570 -0.024 0.000 2.286 1351 I HA -0.210 3.961 4.170 0.001 0.000 0.245 1351 I C 2.173 178.128 176.117 -0.270 0.000 1.104 1351 I CA 0.786 61.983 61.300 -0.172 0.000 1.397 1351 I CB -0.259 37.415 38.000 -0.544 0.000 1.072 1351 I HN 0.110 nan 8.210 nan 0.000 0.417 1352 I N 0.443 120.825 120.570 -0.314 0.000 2.179 1352 I HA -0.300 3.870 4.170 0.001 0.000 0.242 1352 I C 2.816 178.802 176.117 -0.218 0.000 1.088 1352 I CA 1.259 62.302 61.300 -0.429 0.000 1.357 1352 I CB -0.507 37.173 38.000 -0.533 0.000 1.051 1352 I HN 0.216 nan 8.210 nan 0.000 0.409 1353 R N 1.466 121.889 120.500 -0.130 0.000 2.117 1353 R HA -0.232 4.109 4.340 0.001 0.000 0.243 1353 R C 1.790 178.090 176.300 0.000 0.000 1.143 1353 R CA 2.135 58.203 56.100 -0.054 0.000 0.968 1353 R CB -0.123 30.143 30.300 -0.056 0.000 0.863 1353 R HN 0.601 nan 8.270 nan 0.000 0.444 1354 E N -1.018 119.188 120.200 0.009 0.000 2.501 1354 E HA 0.002 4.353 4.350 0.001 0.000 0.200 1354 E C 0.918 177.585 176.600 0.111 0.000 1.016 1354 E CA -0.069 56.382 56.400 0.083 0.000 0.921 1354 E CB 0.397 30.152 29.700 0.091 0.000 1.034 1354 E HN 0.211 nan 8.360 nan 0.000 0.468 1355 I N 1.557 122.160 120.570 0.055 0.000 4.032 1355 I HA 0.011 4.182 4.170 0.001 0.000 0.313 1355 I C 1.957 178.210 176.117 0.228 0.000 1.272 1355 I CA 0.255 61.613 61.300 0.096 0.000 1.307 1355 I CB 0.415 38.372 38.000 -0.072 0.000 1.155 1355 I HN 0.087 nan 8.210 nan 0.000 0.431 1356 K N -0.201 120.291 120.400 0.154 0.000 2.211 1356 K HA -0.141 4.180 4.320 0.001 0.000 0.204 1356 K C 0.839 177.541 176.600 0.170 0.000 1.047 1356 K CA 1.754 58.179 56.287 0.230 0.000 0.935 1356 K CB -0.310 32.315 32.500 0.208 0.000 0.728 1356 K HN 0.182 nan 8.250 nan 0.000 0.452 1357 D N -0.195 120.269 120.400 0.106 0.000 2.323 1357 D HA 0.004 4.645 4.640 0.001 0.000 0.209 1357 D C 1.113 177.276 176.300 -0.227 0.000 0.973 1357 D CA 0.703 54.641 54.000 -0.104 0.000 0.874 1357 D CB 0.062 40.708 40.800 -0.256 0.000 0.930 1357 D HN 0.280 nan 8.370 nan 0.000 0.521 1358 F N 0.615 120.583 119.950 0.030 0.000 2.622 1358 F HA 0.383 4.910 4.527 0.001 0.000 0.288 1358 F C 1.027 176.848 175.800 0.036 0.000 1.120 1358 F CA -0.108 57.904 58.000 0.020 0.000 1.423 1358 F CB 0.527 39.526 39.000 -0.003 0.000 1.127 1358 F HN -0.196 nan 8.300 nan 0.000 0.588 1359 A N -0.923 122.048 122.820 0.253 0.000 2.610 1359 A HA 0.499 4.820 4.320 0.001 0.000 0.291 1359 A C -1.500 176.204 177.584 0.200 0.000 1.086 1359 A CA -0.901 51.250 52.037 0.191 0.000 0.677 1359 A CB 0.627 19.734 19.000 0.178 0.000 1.278 1359 A HN -0.102 nan 8.150 nan 0.000 0.414 1360 D N 0.411 120.896 120.400 0.142 0.000 2.339 1360 D HA 0.530 5.171 4.640 0.001 0.000 0.245 1360 D C -0.654 175.748 176.300 0.169 0.000 1.115 1360 D CA 1.028 55.075 54.000 0.078 0.000 0.917 1360 D CB 0.795 41.606 40.800 0.019 0.000 1.192 1360 D HN 0.544 nan 8.370 nan 0.000 0.428 1361 Y N -1.878 118.476 120.300 0.090 0.000 2.615 1361 Y HA 0.628 5.179 4.550 0.002 0.000 0.341 1361 Y C -0.921 175.036 175.900 0.095 0.000 1.089 1361 Y CA -1.292 56.870 58.100 0.103 0.000 1.049 1361 Y CB 1.696 40.210 38.460 0.090 0.000 1.296 1361 Y HN 0.167 nan 8.280 nan 0.000 0.470 1362 K N 1.420 122.003 120.400 0.306 0.000 2.464 1362 K HA 0.764 5.085 4.320 0.001 0.000 0.253 1362 K C -2.225 174.533 176.600 0.264 0.000 0.933 1362 K CA -0.889 55.518 56.287 0.201 0.000 0.801 1362 K CB 2.661 35.261 32.500 0.166 0.000 1.271 1362 K HN 0.712 nan 8.250 nan 0.000 0.430 1363 V N 2.673 122.705 119.914 0.196 0.000 2.459 1363 V HA 0.211 4.332 4.120 0.001 0.000 0.295 1363 V C -0.326 175.811 176.094 0.071 0.000 1.029 1363 V CA -0.886 61.498 62.300 0.141 0.000 0.874 1363 V CB 1.652 33.549 31.823 0.123 0.000 0.985 1363 V HN 0.812 nan 8.190 nan 0.000 0.438 1364 D N 2.487 122.903 120.400 0.027 0.000 2.362 1364 D HA 0.316 4.957 4.640 0.001 0.000 0.242 1364 D C 1.086 177.280 176.300 -0.177 0.000 1.132 1364 D CA 0.477 54.435 54.000 -0.070 0.000 0.907 1364 D CB 1.935 42.641 40.800 -0.157 0.000 1.195 1364 D HN 0.632 nan 8.370 nan 0.000 0.429 1365 A N 2.764 125.453 122.820 -0.218 0.000 2.024 1365 A HA -0.167 4.153 4.320 0.001 0.000 0.220 1365 A C 2.100 179.454 177.584 -0.383 0.000 1.164 1365 A CA 1.007 52.920 52.037 -0.206 0.000 0.643 1365 A CB -0.397 18.604 19.000 0.002 0.000 0.806 1365 A HN 0.693 nan 8.150 nan 0.000 0.451 1366 I N -2.361 117.748 120.570 -0.769 0.000 3.603 1366 I HA 0.218 4.389 4.170 0.001 0.000 0.297 1366 I C 1.346 177.277 176.117 -0.310 0.000 1.269 1366 I CA 0.980 61.941 61.300 -0.564 0.000 1.361 1366 I CB 0.272 37.816 38.000 -0.760 0.000 1.063 1366 I HN 0.452 nan 8.210 nan 0.000 0.448 1367 G N 0.827 109.474 108.800 -0.254 0.000 2.168 1367 G HA2 -0.221 3.739 3.960 0.001 0.000 0.197 1367 G HA3 -0.221 3.739 3.960 0.001 0.000 0.197 1367 G C -0.131 174.742 174.900 -0.044 0.000 0.997 1367 G CA -0.418 44.613 45.100 -0.116 0.000 0.658 1367 G HN 0.313 nan 8.290 nan 0.000 0.513 1368 N N 0.210 118.885 118.700 -0.041 0.000 2.407 1368 N HA 0.307 5.048 4.740 0.001 0.000 0.250 1368 N C -0.189 175.390 175.510 0.115 0.000 1.236 1368 N CA 0.206 53.297 53.050 0.069 0.000 0.879 1368 N CB 1.483 40.041 38.487 0.118 0.000 1.088 1368 N HN 0.370 nan 8.380 nan 0.000 0.450 1369 L N 3.443 124.775 121.223 0.182 0.000 2.287 1369 L HA 0.528 4.869 4.340 0.001 0.000 0.287 1369 L C -0.934 176.127 176.870 0.317 0.000 1.022 1369 L CA -0.342 54.631 54.840 0.222 0.000 0.814 1369 L CB 0.593 42.744 42.059 0.154 0.000 1.217 1369 L HN 0.391 nan 8.230 nan 0.000 0.420 1370 I N 5.767 126.507 120.570 0.285 0.000 2.418 1370 I HA 0.436 4.607 4.170 0.001 0.000 0.287 1370 I C -0.860 175.425 176.117 0.280 0.000 1.008 1370 I CA -0.597 60.848 61.300 0.242 0.000 1.104 1370 I CB 2.009 40.123 38.000 0.189 0.000 1.264 1370 I HN 0.207 nan 8.210 nan 0.000 0.438 1371 V N 6.013 126.100 119.914 0.289 0.000 2.378 1371 V HA 0.323 4.444 4.120 0.001 0.000 0.288 1371 V C -0.114 176.139 176.094 0.265 0.000 1.016 1371 V CA -0.667 61.807 62.300 0.291 0.000 0.840 1371 V CB 1.418 33.426 31.823 0.308 0.000 0.994 1371 V HN 0.657 nan 8.190 nan 0.000 0.431 1372 E N 5.448 125.777 120.200 0.215 0.000 2.174 1372 E HA 0.544 4.894 4.350 0.001 0.000 0.282 1372 E C -1.046 175.670 176.600 0.194 0.000 0.992 1372 E CA -0.437 56.078 56.400 0.191 0.000 0.803 1372 E CB 1.842 31.647 29.700 0.174 0.000 1.090 1372 E HN 0.503 nan 8.360 nan 0.000 0.396 1373 L N 2.312 123.664 121.223 0.214 0.000 2.317 1373 L HA 0.620 4.960 4.340 0.001 0.000 0.281 1373 L C 0.673 177.629 176.870 0.143 0.000 1.024 1373 L CA -0.469 54.482 54.840 0.185 0.000 0.810 1373 L CB 1.454 43.651 42.059 0.230 0.000 1.240 1373 L HN 0.852 nan 8.230 nan 0.000 0.427 1374 G N 2.924 111.797 108.800 0.122 0.000 2.728 1374 G HA2 -0.112 3.849 3.960 0.001 0.000 0.294 1374 G HA3 -0.112 3.849 3.960 0.001 0.000 0.294 1374 G C -1.001 173.953 174.900 0.089 0.000 1.342 1374 G CA -0.577 44.584 45.100 0.103 0.000 0.866 1374 G HN 0.670 nan 8.290 nan 0.000 0.534 1375 E N -1.002 119.243 120.200 0.075 0.000 2.423 1375 E HA 0.843 5.194 4.350 0.001 0.000 0.269 1375 E C 0.751 177.383 176.600 0.053 0.000 0.948 1375 E CA 0.226 56.666 56.400 0.065 0.000 0.802 1375 E CB 1.155 30.889 29.700 0.057 0.000 1.339 1375 E HN 2.364 nan 8.360 nan 0.000 0.445 1376 G N 0.150 108.977 108.800 0.046 0.000 2.513 1376 G HA2 -0.201 3.759 3.960 0.001 0.000 0.227 1376 G HA3 -0.201 3.759 3.960 0.001 0.000 0.227 1376 G C -0.929 173.984 174.900 0.023 0.000 1.176 1376 G CA -0.432 44.687 45.100 0.032 0.000 0.967 1376 G HN 0.539 nan 8.290 nan 0.000 0.587 1377 E N 1.688 121.891 120.200 0.005 0.000 2.301 1377 E HA 0.373 4.724 4.350 0.001 0.000 0.275 1377 E C -0.257 176.324 176.600 -0.032 0.000 1.030 1377 E CA -0.263 56.122 56.400 -0.025 0.000 0.852 1377 E CB 0.938 30.606 29.700 -0.053 0.000 1.060 1377 E HN 0.450 nan 8.360 nan 0.000 0.401 1378 E N 2.587 122.756 120.200 -0.052 0.000 2.161 1378 E HA -0.023 4.328 4.350 0.001 0.000 0.263 1378 E C 0.681 177.207 176.600 -0.123 0.000 1.185 1378 E CA 0.130 56.498 56.400 -0.053 0.000 0.938 1378 E CB 0.630 30.324 29.700 -0.009 0.000 1.023 1378 E HN 0.327 nan 8.360 nan 0.000 0.433 1379 R N 3.164 123.614 120.500 -0.082 0.000 2.064 1379 R HA 0.173 4.514 4.340 0.001 0.000 0.221 1379 R C 0.316 176.579 176.300 -0.062 0.000 1.136 1379 R CA 0.773 56.828 56.100 -0.074 0.000 0.980 1379 R CB 0.497 30.807 30.300 0.016 0.000 0.876 1379 R HN 0.436 nan 8.270 nan 0.000 0.437 1380 I N 1.116 121.634 120.570 -0.087 0.000 2.582 1380 I HA 0.305 4.476 4.170 0.001 0.000 0.292 1380 I C -1.157 174.745 176.117 -0.358 0.000 1.066 1380 I CA -0.818 60.372 61.300 -0.184 0.000 1.053 1380 I CB 2.556 40.430 38.000 -0.211 0.000 1.241 1380 I HN 0.051 nan 8.210 nan 0.000 0.421 1381 L N 5.661 126.595 121.223 -0.482 0.000 2.356 1381 L HA 0.598 4.938 4.340 0.001 0.000 0.277 1381 L C -1.651 174.827 176.870 -0.653 0.000 0.996 1381 L CA -0.438 54.078 54.840 -0.539 0.000 0.822 1381 L CB 1.705 43.431 42.059 -0.556 0.000 1.256 1381 L HN 0.468 nan 8.230 nan 0.000 0.413 1382 F N 4.873 124.548 119.950 -0.458 0.000 2.469 1382 F HA 0.558 5.085 4.527 0.001 0.000 0.332 1382 F C 0.157 175.763 175.800 -0.324 0.000 1.103 1382 F CA -0.488 57.287 58.000 -0.376 0.000 0.979 1382 F CB 2.033 40.708 39.000 -0.542 0.000 1.137 1382 F HN 0.300 nan 8.300 nan 0.000 0.463 1383 M N 3.397 122.976 119.600 -0.035 0.000 2.263 1383 M HA 0.672 5.153 4.480 0.001 0.000 0.295 1383 M C -1.097 175.164 176.300 -0.064 0.000 1.028 1383 M CA -0.544 54.711 55.300 -0.075 0.000 0.921 1383 M CB 2.235 34.822 32.600 -0.022 0.000 1.601 1383 M HN 0.650 nan 8.290 nan 0.000 0.440 1384 A N 1.818 124.553 122.820 -0.142 0.000 2.374 1384 A HA 0.734 5.055 4.320 0.001 0.000 0.305 1384 A C -1.198 176.359 177.584 -0.045 0.000 1.053 1384 A CA -0.758 51.192 52.037 -0.146 0.000 0.726 1384 A CB 0.548 19.389 19.000 -0.265 0.000 1.229 1384 A HN 0.969 nan 8.150 nan 0.000 0.431 1385 H N 0.517 119.578 119.070 -0.015 0.000 2.525 1385 H HA 0.581 5.138 4.556 0.001 0.000 0.339 1385 H C 0.587 175.949 175.328 0.057 0.000 1.109 1385 H CA -0.662 55.409 56.048 0.039 0.000 1.352 1385 H CB 0.606 30.397 29.762 0.048 0.000 1.461 1385 H HN 0.534 nan 8.280 nan 0.000 0.533 1386 M N 0.920 120.631 119.600 0.185 0.000 2.388 1386 M HA -0.021 4.460 4.480 0.001 0.000 0.265 1386 M C 0.033 176.421 176.300 0.146 0.000 1.088 1386 M CA 0.201 55.581 55.300 0.134 0.000 1.134 1386 M CB 0.059 32.735 32.600 0.127 0.000 1.384 1386 M HN 0.759 nan 8.290 nan 0.000 0.447 1387 D N 2.401 122.925 120.400 0.207 0.000 2.362 1387 D HA 0.107 4.747 4.640 0.001 0.000 0.242 1387 D C -0.319 176.093 176.300 0.187 0.000 1.132 1387 D CA -0.058 54.028 54.000 0.143 0.000 0.907 1387 D CB 0.775 41.618 40.800 0.072 0.000 1.195 1387 D HN 0.417 nan 8.370 nan 0.000 0.429 1388 E N 0.334 120.578 120.200 0.074 0.000 2.339 1388 E HA 0.512 4.863 4.350 0.001 0.000 0.262 1388 E C 0.347 176.921 176.600 -0.043 0.000 0.934 1388 E CA -1.182 55.248 56.400 0.050 0.000 0.802 1388 E CB 1.582 31.310 29.700 0.048 0.000 1.275 1388 E HN 0.591 nan 8.360 nan 0.000 0.427 1389 I N -1.547 118.960 120.570 -0.106 0.000 2.882 1389 I HA 0.688 4.858 4.170 0.001 0.000 0.286 1389 I C 0.357 176.374 176.117 -0.167 0.000 1.139 1389 I CA -0.058 61.147 61.300 -0.157 0.000 1.379 1389 I CB 0.649 38.496 38.000 -0.255 0.000 1.410 1389 I HN 0.779 nan 8.210 nan 0.000 0.594 1390 G N 4.372 113.057 108.800 -0.191 0.000 2.435 1390 G HA2 0.437 4.398 3.960 0.001 0.000 0.296 1390 G HA3 0.437 4.398 3.960 0.001 0.000 0.296 1390 G C -1.554 173.206 174.900 -0.233 0.000 1.240 1390 G CA -1.034 43.910 45.100 -0.261 0.000 0.872 1390 G HN 0.651 nan 8.290 nan 0.000 0.480 1391 L N 0.299 121.382 121.223 -0.233 0.000 2.365 1391 L HA 0.703 5.044 4.340 0.001 0.000 0.273 1391 L C -1.005 175.821 176.870 -0.073 0.000 1.000 1391 L CA -0.890 53.840 54.840 -0.183 0.000 0.819 1391 L CB 1.971 43.764 42.059 -0.443 0.000 1.284 1391 L HN 0.464 nan 8.230 nan 0.000 0.418 1392 L N 3.522 124.749 121.223 0.007 0.000 2.296 1392 L HA 0.521 4.862 4.340 0.001 0.000 0.286 1392 L C -0.519 176.421 176.870 0.117 0.000 1.023 1392 L CA -0.166 54.684 54.840 0.017 0.000 0.812 1392 L CB 1.282 43.345 42.059 0.007 0.000 1.223 1392 L HN 0.332 nan 8.230 nan 0.000 0.421 1393 I N 4.209 124.832 120.570 0.090 0.000 2.471 1393 I HA 0.177 4.348 4.170 0.001 0.000 0.286 1393 I C 1.437 177.628 176.117 0.123 0.000 1.079 1393 I CA 0.637 62.014 61.300 0.130 0.000 1.398 1393 I CB 1.248 39.292 38.000 0.073 0.000 1.403 1393 I HN 0.843 nan 8.210 nan 0.000 0.530 1394 T N 1.292 115.931 114.554 0.142 0.000 3.000 1394 T HA 0.553 4.904 4.350 0.001 0.000 0.248 1394 T C 0.689 175.442 174.700 0.088 0.000 1.034 1394 T CA 0.284 62.451 62.100 0.112 0.000 1.060 1394 T CB 0.238 69.179 68.868 0.121 0.000 0.983 1394 T HN 0.704 nan 8.240 nan 0.000 0.482 1395 G N 0.373 109.226 108.800 0.087 0.000 2.495 1395 G HA2 0.584 4.544 3.960 0.001 0.000 0.294 1395 G HA3 0.584 4.544 3.960 0.001 0.000 0.294 1395 G C -2.189 172.749 174.900 0.063 0.000 1.397 1395 G CA -1.063 44.077 45.100 0.065 0.000 0.790 1395 G HN 0.323 nan 8.290 nan 0.000 0.486 1396 I N 1.062 121.660 120.570 0.048 0.000 2.509 1396 I HA 0.453 4.623 4.170 0.001 0.000 0.293 1396 I C 0.834 176.971 176.117 0.033 0.000 1.020 1396 I CA -0.828 60.497 61.300 0.042 0.000 1.088 1396 I CB 2.507 40.528 38.000 0.035 0.000 1.267 1396 I HN 0.719 nan 8.210 nan 0.000 0.430 1397 T N -0.614 113.959 114.554 0.032 0.000 2.816 1397 T HA 0.177 4.527 4.350 0.001 0.000 0.282 1397 T C 0.702 175.413 174.700 0.019 0.000 0.993 1397 T CA -0.542 61.572 62.100 0.023 0.000 0.994 1397 T CB 1.066 69.948 68.868 0.023 0.000 1.025 1397 T HN 0.493 nan 8.240 nan 0.000 0.529 1398 D N 0.470 120.879 120.400 0.014 0.000 2.221 1398 D HA -0.057 4.584 4.640 0.001 0.000 0.204 1398 D C 1.383 177.690 176.300 0.011 0.000 0.982 1398 D CA 1.208 55.215 54.000 0.011 0.000 0.857 1398 D CB -0.030 40.775 40.800 0.008 0.000 0.934 1398 D HN 0.719 nan 8.370 nan 0.000 0.475 1399 E N -0.736 119.471 120.200 0.012 0.000 2.437 1399 E HA 0.311 4.662 4.350 0.001 0.000 0.189 1399 E C 1.041 177.649 176.600 0.013 0.000 1.054 1399 E CA 0.178 56.585 56.400 0.011 0.000 0.874 1399 E CB 0.346 30.053 29.700 0.011 0.000 1.011 1399 E HN 0.189 nan 8.360 nan 0.000 0.474 1400 G N 1.239 110.049 108.800 0.016 0.000 2.160 1400 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 1400 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 1400 G C 0.004 174.917 174.900 0.022 0.000 1.022 1400 G CA 0.015 45.125 45.100 0.017 0.000 0.741 1400 G HN 0.051 nan 8.290 nan 0.000 0.508 1401 K N -0.354 120.064 120.400 0.030 0.000 2.139 1401 K HA 0.674 4.995 4.320 0.001 0.000 0.243 1401 K C 0.590 177.227 176.600 0.063 0.000 0.983 1401 K CA -0.748 55.565 56.287 0.044 0.000 0.890 1401 K CB 1.512 34.041 32.500 0.047 0.000 1.090 1401 K HN 0.211 nan 8.250 nan 0.000 0.445 1402 L N 2.395 123.673 121.223 0.092 0.000 2.275 1402 L HA 0.426 4.767 4.340 0.001 0.000 0.288 1402 L C 0.600 177.589 176.870 0.199 0.000 1.046 1402 L CA -0.671 54.245 54.840 0.126 0.000 0.805 1402 L CB 0.865 42.994 42.059 0.117 0.000 1.193 1402 L HN 0.295 nan 8.230 nan 0.000 0.426 1403 R N 3.049 123.642 120.500 0.155 0.000 2.457 1403 R HA 0.700 5.041 4.340 0.001 0.000 0.284 1403 R C -0.949 175.491 176.300 0.233 0.000 1.024 1403 R CA -0.384 55.787 56.100 0.118 0.000 1.025 1403 R CB 1.504 31.835 30.300 0.052 0.000 1.063 1403 R HN 0.514 nan 8.270 nan 0.000 0.493 1404 F N -1.502 118.547 119.950 0.164 0.000 2.686 1404 F HA 0.570 5.098 4.527 0.001 0.000 0.311 1404 F C -0.958 174.997 175.800 0.260 0.000 1.128 1404 F CA -1.391 56.700 58.000 0.152 0.000 0.946 1404 F CB 1.287 40.341 39.000 0.090 0.000 1.336 1404 F HN 0.274 nan 8.300 nan 0.000 0.457 1405 R N 1.828 122.522 120.500 0.324 0.000 2.832 1405 R HA 0.540 4.881 4.340 0.001 0.000 0.271 1405 R C -1.301 175.012 176.300 0.023 0.000 0.996 1405 R CA -0.842 55.268 56.100 0.016 0.000 0.977 1405 R CB 2.056 32.334 30.300 -0.036 0.000 1.168 1405 R HN 0.935 nan 8.270 nan 0.000 0.482 1406 K N 1.228 121.438 120.400 -0.317 0.000 2.185 1406 K HA 0.310 4.631 4.320 0.001 0.000 0.271 1406 K C -0.896 175.602 176.600 -0.170 0.000 1.013 1406 K CA -0.535 55.635 56.287 -0.194 0.000 0.943 1406 K CB 1.719 34.050 32.500 -0.281 0.000 0.998 1406 K HN 0.244 nan 8.250 nan 0.000 0.468 1407 V N 2.364 122.206 119.914 -0.120 0.000 2.407 1407 V HA 0.542 4.662 4.120 0.001 0.000 0.291 1407 V C 0.278 176.320 176.094 -0.087 0.000 1.018 1407 V CA -0.388 61.853 62.300 -0.098 0.000 0.842 1407 V CB 0.686 32.452 31.823 -0.095 0.000 0.996 1407 V HN 1.077 nan 8.190 nan 0.000 0.426 1408 G N 3.818 112.583 108.800 -0.058 0.000 2.795 1408 G HA2 0.167 4.128 3.960 0.001 0.000 0.664 1408 G HA3 0.167 4.128 3.960 0.001 0.000 0.664 1408 G C 0.131 175.037 174.900 0.010 0.000 1.381 1408 G CA -0.465 44.622 45.100 -0.021 0.000 0.853 1408 G HN 1.433 nan 8.290 nan 0.000 0.545 1409 G N -0.590 108.278 108.800 0.114 0.000 2.349 1409 G HA2 0.626 4.587 3.960 0.001 0.000 0.281 1409 G HA3 0.626 4.587 3.960 0.001 0.000 0.281 1409 G C -0.004 175.023 174.900 0.212 0.000 1.182 1409 G CA -0.277 44.920 45.100 0.162 0.000 0.899 1409 G HN 0.972 nan 8.290 nan 0.000 0.455 1410 I N 1.971 122.621 120.570 0.133 0.000 2.534 1410 I HA 0.162 4.333 4.170 0.001 0.000 0.288 1410 I C -0.969 175.247 176.117 0.164 0.000 1.077 1410 I CA -1.064 60.334 61.300 0.164 0.000 1.051 1410 I CB 2.402 40.484 38.000 0.136 0.000 1.234 1410 I HN 0.327 nan 8.210 nan 0.000 0.425 1411 D N 4.921 125.427 120.400 0.175 0.000 2.401 1411 D HA -0.016 4.625 4.640 0.001 0.000 0.254 1411 D C 0.812 177.213 176.300 0.169 0.000 1.192 1411 D CA 0.381 54.471 54.000 0.150 0.000 0.885 1411 D CB 1.063 41.938 40.800 0.125 0.000 1.147 1411 D HN 0.410 nan 8.370 nan 0.000 0.478 1412 D N 3.272 123.775 120.400 0.171 0.000 2.228 1412 D HA -0.150 4.491 4.640 0.001 0.000 0.203 1412 D C 1.735 178.129 176.300 0.156 0.000 0.988 1412 D CA 0.854 54.970 54.000 0.194 0.000 0.864 1412 D CB 0.111 41.013 40.800 0.170 0.000 0.928 1412 D HN 0.494 nan 8.370 nan 0.000 0.469 1413 R N -0.279 120.286 120.500 0.108 0.000 2.241 1413 R HA 0.005 4.346 4.340 0.001 0.000 0.224 1413 R C 1.719 178.084 176.300 0.107 0.000 1.101 1413 R CA 0.456 56.604 56.100 0.080 0.000 0.995 1413 R CB -0.036 30.292 30.300 0.047 0.000 0.870 1413 R HN 0.262 nan 8.270 nan 0.000 0.463 1414 L N 0.182 121.477 121.223 0.119 0.000 2.592 1414 L HA 0.077 4.418 4.340 0.001 0.000 0.227 1414 L C 1.438 178.370 176.870 0.103 0.000 1.127 1414 L CA 0.114 54.990 54.840 0.060 0.000 0.884 1414 L CB 0.146 42.224 42.059 0.031 0.000 1.065 1414 L HN 0.159 nan 8.230 nan 0.000 0.457 1415 L N -1.527 119.842 121.223 0.243 0.000 2.477 1415 L HA 0.041 4.382 4.340 0.001 0.000 0.220 1415 L C 0.515 177.553 176.870 0.281 0.000 1.106 1415 L CA -0.039 55.001 54.840 0.333 0.000 0.851 1415 L CB -0.010 42.280 42.059 0.385 0.000 0.994 1415 L HN 0.119 nan 8.230 nan 0.000 0.462 1416 Y N 1.489 121.847 120.300 0.098 0.000 2.359 1416 Y HA 0.428 4.982 4.550 0.005 0.000 0.334 1416 Y C 1.032 176.954 175.900 0.036 0.000 1.058 1416 Y CA -0.273 57.868 58.100 0.068 0.000 1.244 1416 Y CB 0.786 39.275 38.460 0.048 0.000 1.187 1416 Y HN 0.156 nan 8.280 nan 0.000 0.510 1417 G N 5.850 114.423 108.800 -0.379 0.000 2.351 1417 G HA2 -0.198 3.763 3.960 0.001 0.000 0.297 1417 G HA3 -0.198 3.763 3.960 0.001 0.000 0.297 1417 G C -0.465 174.357 174.900 -0.131 0.000 1.054 1417 G CA -0.216 44.692 45.100 -0.319 0.000 1.123 1417 G HN 0.562 nan 8.290 nan 0.000 0.512 1418 R N -0.153 120.293 120.500 -0.091 0.000 2.725 1418 R HA 0.391 4.731 4.340 0.001 0.000 0.277 1418 R C -0.244 176.036 176.300 -0.032 0.000 0.987 1418 R CA -0.878 55.218 56.100 -0.007 0.000 0.901 1418 R CB 1.256 31.602 30.300 0.076 0.000 1.207 1418 R HN 0.499 nan 8.270 nan 0.000 0.463 1419 H N 1.266 120.344 119.070 0.013 0.000 2.582 1419 H HA 0.319 4.873 4.556 -0.004 0.000 0.345 1419 H C 0.344 175.705 175.328 0.054 0.000 1.104 1419 H CA -0.191 55.862 56.048 0.009 0.000 1.390 1419 H CB 1.627 31.374 29.762 -0.024 0.000 1.461 1419 H HN 0.330 nan 8.280 nan 0.000 0.551 1420 V N 0.903 120.882 119.914 0.108 0.000 3.074 1420 V HA 0.437 4.558 4.120 0.001 0.000 0.314 1420 V C -0.344 175.745 176.094 -0.007 0.000 1.117 1420 V CA -1.261 61.060 62.300 0.035 0.000 1.014 1420 V CB 2.178 33.958 31.823 -0.072 0.000 1.057 1420 V HN 0.684 nan 8.190 nan 0.000 0.438 1421 N N 0.631 119.297 118.700 -0.056 0.000 2.424 1421 N HA 0.626 5.366 4.740 0.001 0.000 0.271 1421 N C -0.953 174.447 175.510 -0.182 0.000 0.985 1421 N CA -0.537 52.455 53.050 -0.097 0.000 0.921 1421 N CB 1.990 40.424 38.487 -0.088 0.000 1.149 1421 N HN 0.670 nan 8.380 nan 0.000 0.492 1422 V N 2.879 122.684 119.914 -0.183 0.000 2.385 1422 V HA 0.207 4.328 4.120 0.001 0.000 0.269 1422 V C 0.050 175.955 176.094 -0.315 0.000 1.043 1422 V CA -0.671 61.482 62.300 -0.245 0.000 0.906 1422 V CB 1.057 32.786 31.823 -0.156 0.000 0.995 1422 V HN 0.351 nan 8.190 nan 0.000 0.467 1423 V N 5.518 125.094 119.914 -0.563 0.000 2.334 1423 V HA 0.420 4.541 4.120 0.001 0.000 0.267 1423 V C 0.680 176.519 176.094 -0.425 0.000 1.040 1423 V CA -0.098 61.834 62.300 -0.614 0.000 0.866 1423 V CB 1.226 32.331 31.823 -1.196 0.000 1.019 1423 V HN 1.052 nan 8.190 nan 0.000 0.468 1424 T N 1.165 115.596 114.554 -0.206 0.000 2.922 1424 T HA 0.419 4.770 4.350 0.001 0.000 0.281 1424 T C 0.751 175.432 174.700 -0.032 0.000 1.005 1424 T CA -0.374 61.672 62.100 -0.090 0.000 0.982 1424 T CB 1.710 70.542 68.868 -0.061 0.000 1.158 1424 T HN 0.716 nan 8.240 nan 0.000 0.566 1425 E N -0.431 119.775 120.200 0.011 0.000 2.476 1425 E HA 0.178 4.528 4.350 0.001 0.000 0.191 1425 E C 0.492 177.096 176.600 0.008 0.000 1.064 1425 E CA -0.106 56.309 56.400 0.025 0.000 0.866 1425 E CB -0.044 29.684 29.700 0.046 0.000 0.952 1425 E HN 0.496 nan 8.360 nan 0.000 0.492 1426 K N 1.179 121.575 120.400 -0.007 0.000 3.202 1426 K HA 0.305 4.625 4.320 0.001 0.000 0.206 1426 K C -0.290 176.297 176.600 -0.022 0.000 1.142 1426 K CA 0.032 56.313 56.287 -0.010 0.000 0.979 1426 K CB 1.345 33.841 32.500 -0.007 0.000 0.863 1426 K HN 0.271 nan 8.250 nan 0.000 0.479 1427 G N 0.976 109.759 108.800 -0.030 0.000 2.525 1427 G HA2 -0.143 3.818 3.960 0.001 0.000 0.685 1427 G HA3 -0.143 3.818 3.960 0.001 0.000 0.685 1427 G C -1.075 173.785 174.900 -0.068 0.000 1.290 1427 G CA -1.101 43.975 45.100 -0.041 0.000 0.915 1427 G HN 0.157 nan 8.290 nan 0.000 0.548 1428 I N 0.754 121.281 120.570 -0.071 0.000 2.389 1428 I HA 0.453 4.624 4.170 0.001 0.000 0.288 1428 I C 0.232 176.302 176.117 -0.078 0.000 0.999 1428 I CA -0.664 60.577 61.300 -0.099 0.000 1.129 1428 I CB 1.414 39.355 38.000 -0.099 0.000 1.288 1428 I HN 0.381 nan 8.210 nan 0.000 0.444 1429 L N 5.335 126.506 121.223 -0.087 0.000 2.331 1429 L HA 0.463 4.804 4.340 0.001 0.000 0.275 1429 L C -0.574 176.261 176.870 -0.058 0.000 1.022 1429 L CA -0.961 53.842 54.840 -0.060 0.000 0.812 1429 L CB 1.494 43.520 42.059 -0.055 0.000 1.257 1429 L HN 0.555 nan 8.230 nan 0.000 0.435 1430 D N 0.600 120.981 120.400 -0.032 0.000 2.229 1430 D HA 0.675 5.315 4.640 0.001 0.000 0.249 1430 D C -0.044 176.248 176.300 -0.012 0.000 1.027 1430 D CA -0.439 53.553 54.000 -0.014 0.000 0.923 1430 D CB 1.935 42.747 40.800 0.020 0.000 1.174 1430 D HN 0.628 nan 8.370 nan 0.000 0.443 1431 G N -1.085 107.708 108.800 -0.012 0.000 2.708 1431 G HA2 0.583 4.544 3.960 0.001 0.000 0.289 1431 G HA3 0.583 4.544 3.960 0.001 0.000 0.289 1431 G C -1.666 173.201 174.900 -0.054 0.000 1.416 1431 G CA -0.877 44.204 45.100 -0.032 0.000 0.829 1431 G HN 0.498 nan 8.290 nan 0.000 0.480 1432 V N 0.509 120.375 119.914 -0.080 0.000 2.686 1432 V HA 0.414 4.535 4.120 0.001 0.000 0.306 1432 V C -0.563 175.483 176.094 -0.079 0.000 1.065 1432 V CA -0.550 61.665 62.300 -0.143 0.000 0.894 1432 V CB 1.802 33.495 31.823 -0.216 0.000 1.004 1432 V HN 0.636 nan 8.190 nan 0.000 0.424 1433 I N 4.396 124.927 120.570 -0.066 0.000 2.312 1433 I HA 0.453 4.624 4.170 0.001 0.000 0.291 1433 I C 1.190 177.248 176.117 -0.098 0.000 1.031 1433 I CA 0.046 61.340 61.300 -0.010 0.000 1.293 1433 I CB 1.293 39.337 38.000 0.073 0.000 1.403 1433 I HN 0.727 nan 8.210 nan 0.000 0.484 1434 G N 4.588 113.333 108.800 -0.092 0.000 2.611 1434 G HA2 0.633 4.594 3.960 0.001 0.000 0.273 1434 G HA3 0.633 4.594 3.960 0.001 0.000 0.273 1434 G C -0.704 173.977 174.900 -0.366 0.000 1.305 1434 G CA -0.256 44.744 45.100 -0.167 0.000 1.010 1434 G HN 0.785 nan 8.290 nan 0.000 0.509 1435 A N -1.041 121.566 122.820 -0.355 0.000 2.488 1435 A HA 0.677 4.997 4.320 0.001 0.000 0.298 1435 A C -0.268 177.260 177.584 -0.093 0.000 1.044 1435 A CA -0.534 51.196 52.037 -0.511 0.000 0.693 1435 A CB 1.398 20.017 19.000 -0.634 0.000 1.272 1435 A HN 0.697 nan 8.150 nan 0.000 0.402 1436 T N 4.900 119.518 114.554 0.106 0.000 2.749 1436 T HA 0.555 4.906 4.350 0.001 0.000 0.295 1436 T C -2.076 172.693 174.700 0.115 0.000 0.936 1436 T CA -0.548 61.615 62.100 0.105 0.000 1.060 1436 T CB 0.580 69.525 68.868 0.129 0.000 0.904 1436 T HN 0.601 nan 8.240 nan 0.000 0.500 1437 P HA 0.240 nan 4.420 nan 0.000 0.271 1437 P C -2.202 175.209 177.300 0.184 0.000 1.218 1437 P CA -1.534 61.661 63.100 0.158 0.000 0.780 1437 P CB 0.578 32.358 31.700 0.133 0.000 0.901 1438 P HA -0.193 nan 4.420 nan 0.000 0.216 1438 P C 1.100 178.433 177.300 0.055 0.000 1.150 1438 P CA 1.638 64.778 63.100 0.065 0.000 0.837 1438 P CB -0.348 31.337 31.700 -0.026 0.000 0.786 1439 H N -1.538 117.541 119.070 0.016 0.000 2.437 1439 H HA -0.093 4.466 4.556 0.005 0.000 0.296 1439 H C 1.173 176.508 175.328 0.012 0.000 1.121 1439 H CA 0.763 56.818 56.048 0.012 0.000 1.255 1439 H CB -0.898 28.870 29.762 0.010 0.000 1.366 1439 H HN 0.159 nan 8.280 nan 0.000 0.512 1447 S N -0.895 114.753 115.700 -0.088 0.000 2.704 1447 S HA 0.755 5.226 4.470 0.001 0.000 0.305 1447 S C -0.032 174.481 174.600 -0.144 0.000 1.107 1447 S CA -0.796 57.350 58.200 -0.091 0.000 0.993 1447 S CB 1.708 64.866 63.200 -0.071 0.000 1.110 1447 S HN 0.026 nan 8.310 nan 0.000 0.534 1448 V N 2.618 122.461 119.914 -0.119 0.000 2.470 1448 V HA 0.191 4.312 4.120 0.001 0.000 0.276 1448 V C -0.041 175.957 176.094 -0.160 0.000 1.040 1448 V CA -0.526 61.689 62.300 -0.141 0.000 1.008 1448 V CB -0.110 31.671 31.823 -0.071 0.000 0.990 1448 V HN 0.650 nan 8.190 nan 0.000 0.477 1449 I N 8.152 128.590 120.570 -0.221 0.000 2.471 1449 I HA 0.282 4.453 4.170 0.001 0.000 0.286 1449 I C -1.932 174.078 176.117 -0.179 0.000 1.079 1449 I CA -2.544 58.640 61.300 -0.193 0.000 1.398 1449 I CB 0.672 38.567 38.000 -0.175 0.000 1.403 1449 I HN 0.398 nan 8.210 nan 0.000 0.530 1450 P HA 0.027 nan 4.420 nan 0.000 0.272 1450 P C 1.117 178.086 177.300 -0.552 0.000 1.223 1450 P CA -0.358 62.414 63.100 -0.547 0.000 0.784 1450 P CB 0.343 31.326 31.700 -1.196 0.000 0.923 1451 W N 2.625 123.738 121.300 -0.312 0.000 2.325 1451 W HA -0.240 4.420 4.660 -0.000 0.000 0.299 1451 W C 1.187 177.527 176.519 -0.298 0.000 1.215 1451 W CA 1.245 58.510 57.345 -0.132 0.000 1.244 1451 W CB -2.012 27.475 29.460 0.045 0.000 1.140 1451 W HN 0.445 nan 8.180 nan 0.000 0.523 1452 Y N 0.406 120.079 120.300 -1.046 0.000 2.583 1452 Y HA 0.172 4.723 4.550 0.002 0.000 0.293 1452 Y C 1.032 176.637 175.900 -0.491 0.000 1.157 1452 Y CA 0.769 58.261 58.100 -1.013 0.000 1.315 1452 Y CB -1.013 36.585 38.460 -1.438 0.000 1.021 1452 Y HN -0.185 nan 8.280 nan 0.000 0.536 1453 D N 0.921 121.090 120.400 -0.385 0.000 2.368 1453 D HA 0.227 4.867 4.640 0.001 0.000 0.218 1453 D C -0.116 176.133 176.300 -0.085 0.000 1.112 1453 D CA 0.221 54.126 54.000 -0.160 0.000 0.834 1453 D CB 0.393 41.100 40.800 -0.154 0.000 0.953 1453 D HN 0.343 nan 8.370 nan 0.000 0.505 1454 L N 0.690 121.857 121.223 -0.094 0.000 2.331 1454 L HA 0.536 4.877 4.340 0.001 0.000 0.275 1454 L C 0.073 176.997 176.870 0.090 0.000 1.022 1454 L CA -1.029 53.859 54.840 0.080 0.000 0.812 1454 L CB 2.086 44.311 42.059 0.278 0.000 1.257 1454 L HN -0.218 nan 8.230 nan 0.000 0.435 1455 V N -0.341 119.701 119.914 0.214 0.000 3.102 1455 V HA 0.599 4.719 4.120 0.001 0.000 0.312 1455 V C -0.548 175.715 176.094 0.282 0.000 1.135 1455 V CA -0.859 61.590 62.300 0.248 0.000 1.022 1455 V CB 2.221 34.114 31.823 0.117 0.000 1.056 1455 V HN 0.541 nan 8.190 nan 0.000 0.436 1456 I N 2.075 122.794 120.570 0.249 0.000 2.331 1456 I HA 0.398 4.568 4.170 0.001 0.000 0.292 1456 I C -0.524 175.629 176.117 0.059 0.000 0.998 1456 I CA -0.053 61.315 61.300 0.114 0.000 1.267 1456 I CB 1.293 39.325 38.000 0.052 0.000 1.386 1456 I HN 0.687 nan 8.210 nan 0.000 0.476 1457 D N 7.511 127.924 120.400 0.021 0.000 2.347 1457 D HA 0.222 4.863 4.640 0.001 0.000 0.235 1457 D C 0.545 176.838 176.300 -0.011 0.000 1.149 1457 D CA -0.246 53.756 54.000 0.003 0.000 0.850 1457 D CB 1.006 41.797 40.800 -0.015 0.000 1.061 1457 D HN 0.545 nan 8.370 nan 0.000 0.487 1458 I N 0.583 121.150 120.570 -0.005 0.000 3.941 1458 I HA 0.417 4.588 4.170 0.001 0.000 0.335 1458 I C 1.109 177.221 176.117 -0.009 0.000 1.402 1458 I CA -0.402 60.891 61.300 -0.012 0.000 1.112 1458 I CB 0.234 38.226 38.000 -0.013 0.000 1.043 1458 I HN 0.457 nan 8.210 nan 0.000 0.395 1459 G N 1.672 110.467 108.800 -0.008 0.000 2.148 1459 G HA2 -0.249 3.712 3.960 0.001 0.000 0.254 1459 G HA3 -0.249 3.712 3.960 0.001 0.000 0.254 1459 G C 0.423 175.320 174.900 -0.004 0.000 0.981 1459 G CA 0.077 45.173 45.100 -0.007 0.000 0.670 1459 G HN 0.936 nan 8.290 nan 0.000 0.528 1460 A N -0.284 122.535 122.820 -0.001 0.000 2.351 1460 A HA 0.668 4.989 4.320 0.001 0.000 0.257 1460 A C 1.191 178.776 177.584 0.002 0.000 1.087 1460 A CA 0.493 52.530 52.037 0.001 0.000 0.798 1460 A CB 0.388 19.390 19.000 0.003 0.000 1.033 1460 A HN 0.254 nan 8.150 nan 0.000 0.488 1461 E N 0.097 120.298 120.200 0.002 0.000 2.452 1461 E HA 0.097 4.448 4.350 0.001 0.000 0.197 1461 E C 0.164 176.766 176.600 0.004 0.000 1.022 1461 E CA 0.982 57.383 56.400 0.002 0.000 0.890 1461 E CB 0.201 29.902 29.700 0.001 0.000 0.918 1461 E HN 0.734 nan 8.360 nan 0.000 0.496 1462 S N -1.036 114.668 115.700 0.006 0.000 2.587 1462 S HA 0.309 4.780 4.470 0.001 0.000 0.269 1462 S C 0.460 175.066 174.600 0.009 0.000 1.154 1462 S CA -0.806 57.398 58.200 0.007 0.000 0.824 1462 S CB 2.461 65.664 63.200 0.006 0.000 1.118 1462 S HN -0.086 nan 8.310 nan 0.000 0.462 1463 K N 0.834 121.240 120.400 0.011 0.000 2.044 1463 K HA -0.198 4.123 4.320 0.001 0.000 0.210 1463 K C 1.825 178.432 176.600 0.012 0.000 1.049 1463 K CA 2.174 58.468 56.287 0.013 0.000 0.927 1463 K CB -0.416 32.092 32.500 0.013 0.000 0.713 1463 K HN 0.729 nan 8.250 nan 0.000 0.443 1464 E N 0.188 120.394 120.200 0.009 0.000 2.049 1464 E HA -0.268 4.083 4.350 0.001 0.000 0.198 1464 E C 2.051 178.656 176.600 0.007 0.000 1.007 1464 E CA 1.765 58.170 56.400 0.008 0.000 0.809 1464 E CB -0.003 29.701 29.700 0.007 0.000 0.749 1464 E HN 0.398 nan 8.360 nan 0.000 0.450 1465 E N -0.337 119.867 120.200 0.006 0.000 2.072 1465 E HA -0.179 4.172 4.350 0.001 0.000 0.191 1465 E C 1.961 178.564 176.600 0.005 0.000 0.985 1465 E CA 0.833 57.236 56.400 0.004 0.000 0.801 1465 E CB -0.078 29.624 29.700 0.003 0.000 0.750 1465 E HN 0.265 nan 8.360 nan 0.000 0.452 1466 A N 1.366 124.190 122.820 0.007 0.000 1.902 1466 A HA -0.161 4.160 4.320 0.001 0.000 0.217 1466 A C 2.201 179.791 177.584 0.009 0.000 1.181 1466 A CA 0.935 52.977 52.037 0.008 0.000 0.623 1466 A CB -0.702 18.305 19.000 0.013 0.000 0.818 1466 A HN 0.369 nan 8.150 nan 0.000 0.443 1467 L N -0.638 120.592 121.223 0.011 0.000 2.265 1467 L HA -0.182 4.159 4.340 0.001 0.000 0.215 1467 L C 2.231 179.106 176.870 0.010 0.000 1.117 1467 L CA 1.386 56.234 54.840 0.013 0.000 0.782 1467 L CB -0.371 41.697 42.059 0.014 0.000 0.914 1467 L HN 0.549 nan 8.230 nan 0.000 0.441 1468 E N -0.655 119.549 120.200 0.006 0.000 2.358 1468 E HA -0.109 4.242 4.350 0.001 0.000 0.195 1468 E C 2.016 178.617 176.600 0.001 0.000 1.010 1468 E CA 0.553 56.956 56.400 0.004 0.000 0.856 1468 E CB 0.288 29.990 29.700 0.003 0.000 0.795 1468 E HN 0.505 nan 8.360 nan 0.000 0.504 1469 L N -0.451 120.771 121.223 -0.001 0.000 2.362 1469 L HA 0.154 4.494 4.340 0.001 0.000 0.204 1469 L C 0.258 177.122 176.870 -0.010 0.000 1.060 1469 L CA 0.151 54.986 54.840 -0.008 0.000 0.827 1469 L CB 0.797 42.850 42.059 -0.010 0.000 1.027 1469 L HN -0.146 nan 8.230 nan 0.000 0.474 1470 V N 0.024 119.936 119.914 -0.004 0.000 2.841 1470 V HA 0.461 4.581 4.120 0.001 0.000 0.310 1470 V C -0.708 175.393 176.094 0.013 0.000 1.090 1470 V CA -0.961 61.337 62.300 -0.003 0.000 0.930 1470 V CB 2.174 33.992 31.823 -0.008 0.000 1.014 1470 V HN -0.040 nan 8.190 nan 0.000 0.425 1471 K N 2.818 123.231 120.400 0.020 0.000 2.221 1471 K HA 0.630 4.951 4.320 0.001 0.000 0.243 1471 K C -2.851 173.778 176.600 0.049 0.000 0.968 1471 K CA -2.569 53.739 56.287 0.035 0.000 0.846 1471 K CB 1.856 34.380 32.500 0.040 0.000 1.141 1471 K HN 0.286 nan 8.250 nan 0.000 0.434 1472 P HA 0.098 nan 4.420 nan 0.000 0.267 1472 P C 0.178 177.533 177.300 0.091 0.000 1.200 1472 P CA 0.255 63.398 63.100 0.072 0.000 0.772 1472 P CB 0.336 32.077 31.700 0.067 0.000 0.855 1473 L N -1.707 119.581 121.223 0.108 0.000 4.892 1473 L HA -0.210 4.131 4.340 0.001 0.000 0.403 1473 L C 0.314 177.296 176.870 0.187 0.000 0.913 1473 L CA 0.463 55.403 54.840 0.166 0.000 1.653 1473 L CB -1.527 40.648 42.059 0.193 0.000 1.780 1473 L HN 0.405 nan 8.230 nan 0.000 0.597 1474 D N 0.337 120.798 120.400 0.101 0.000 2.398 1474 D HA 0.618 5.259 4.640 0.001 0.000 0.247 1474 D C -0.024 176.262 176.300 -0.022 0.000 1.227 1474 D CA 0.445 54.472 54.000 0.045 0.000 0.980 1474 D CB 0.696 41.482 40.800 -0.023 0.000 1.106 1474 D HN 0.145 nan 8.370 nan 0.000 0.493 1475 F N -1.770 118.034 119.950 -0.243 0.000 2.664 1475 F HA 0.784 5.312 4.527 0.003 0.000 0.317 1475 F C -1.539 174.120 175.800 -0.234 0.000 1.108 1475 F CA -1.184 56.619 58.000 -0.328 0.000 0.957 1475 F CB 1.232 39.858 39.000 -0.622 0.000 1.365 1475 F HN 0.317 nan 8.300 nan 0.000 0.475 1476 A N 1.249 124.011 122.820 -0.097 0.000 2.539 1476 A HA 0.868 5.189 4.320 0.001 0.000 0.296 1476 A C -1.304 176.195 177.584 -0.142 0.000 1.073 1476 A CA -0.282 51.625 52.037 -0.218 0.000 0.700 1476 A CB 1.561 20.407 19.000 -0.258 0.000 1.296 1476 A HN 1.948 nan 8.150 nan 0.000 0.405 1477 V N -1.518 118.293 119.914 -0.171 0.000 3.102 1477 V HA 0.813 4.933 4.120 0.001 0.000 0.312 1477 V C -0.367 175.596 176.094 -0.217 0.000 1.135 1477 V CA -1.259 60.901 62.300 -0.233 0.000 1.022 1477 V CB 1.202 32.999 31.823 -0.043 0.000 1.056 1477 V HN 0.773 nan 8.190 nan 0.000 0.436 1478 F N 0.881 120.813 119.950 -0.029 0.000 2.553 1478 F HA 0.315 4.842 4.527 0.000 0.000 0.356 1478 F C 1.243 177.023 175.800 -0.033 0.000 1.142 1478 F CA -0.129 57.852 58.000 -0.031 0.000 1.322 1478 F CB 0.415 39.405 39.000 -0.016 0.000 1.126 1478 F HN 0.437 nan 8.300 nan 0.000 0.599 1479 K N 2.355 122.850 120.400 0.159 0.000 2.382 1479 K HA 0.137 4.458 4.320 0.001 0.000 0.275 1479 K C -0.650 175.935 176.600 -0.024 0.000 1.009 1479 K CA -0.111 56.190 56.287 0.023 0.000 0.970 1479 K CB 0.549 33.019 32.500 -0.051 0.000 0.934 1479 K HN 0.503 nan 8.250 nan 0.000 0.479 1480 K N 3.156 123.533 120.400 -0.038 0.000 2.367 1480 K HA 0.203 4.524 4.320 0.001 0.000 0.263 1480 K C -0.686 175.908 176.600 -0.009 0.000 1.000 1480 K CA -0.699 55.594 56.287 0.010 0.000 0.891 1480 K CB 0.960 33.528 32.500 0.112 0.000 1.117 1480 K HN 0.436 nan 8.250 nan 0.000 0.443 1481 H N 1.706 120.824 119.070 0.080 0.000 2.707 1481 H HA 0.072 4.627 4.556 -0.002 0.000 0.359 1481 H C -0.860 174.559 175.328 0.151 0.000 1.113 1481 H CA 0.203 56.301 56.048 0.084 0.000 1.422 1481 H CB 0.466 30.245 29.762 0.029 0.000 1.443 1481 H HN 0.435 nan 8.280 nan 0.000 0.591 1482 F N 1.470 121.514 119.950 0.157 0.000 2.460 1482 F HA 0.304 4.831 4.527 -0.000 0.000 0.341 1482 F C -0.558 175.287 175.800 0.075 0.000 1.130 1482 F CA -0.284 57.777 58.000 0.102 0.000 0.962 1482 F CB 1.071 40.118 39.000 0.078 0.000 1.171 1482 F HN 0.264 nan 8.300 nan 0.000 0.436 1483 S N 3.684 119.248 115.700 -0.228 0.000 2.566 1483 S HA 0.795 5.266 4.470 0.001 0.000 0.298 1483 S C -1.293 173.194 174.600 -0.187 0.000 1.083 1483 S CA -0.740 57.398 58.200 -0.104 0.000 0.978 1483 S CB 2.206 65.360 63.200 -0.076 0.000 1.073 1483 S HN 0.365 nan 8.310 nan 0.000 0.491 1484 V N 3.155 123.050 119.914 -0.031 0.000 2.483 1484 V HA 0.419 4.540 4.120 0.001 0.000 0.297 1484 V C -0.888 175.218 176.094 0.020 0.000 1.027 1484 V CA -0.606 61.691 62.300 -0.004 0.000 0.855 1484 V CB 1.273 33.138 31.823 0.070 0.000 0.995 1484 V HN 0.695 nan 8.190 nan 0.000 0.424 1485 L N 4.635 125.889 121.223 0.051 0.000 2.255 1485 L HA 0.516 4.856 4.340 0.001 0.000 0.289 1485 L C 0.857 177.802 176.870 0.125 0.000 1.046 1485 L CA -0.443 54.445 54.840 0.080 0.000 0.816 1485 L CB 0.411 42.514 42.059 0.072 0.000 1.197 1485 L HN 0.797 nan 8.230 nan 0.000 0.427 1486 N N 2.936 121.678 118.700 0.070 0.000 2.735 1486 N HA -0.212 4.529 4.740 0.001 0.000 0.248 1486 N C 1.011 176.535 175.510 0.023 0.000 1.083 1486 N CA 1.217 54.302 53.050 0.060 0.000 0.703 1486 N CB -0.728 37.819 38.487 0.099 0.000 1.005 1486 N HN 1.062 nan 8.380 nan 0.000 0.550 1487 G N -0.736 108.067 108.800 0.005 0.000 2.257 1487 G HA2 -0.404 3.557 3.960 0.001 0.000 0.267 1487 G HA3 -0.404 3.557 3.960 0.001 0.000 0.267 1487 G C 0.853 175.690 174.900 -0.106 0.000 0.984 1487 G CA 1.209 46.291 45.100 -0.031 0.000 0.626 1487 G HN 0.748 nan 8.290 nan 0.000 0.540 1488 K N -1.278 119.002 120.400 -0.201 0.000 2.464 1488 K HA 0.353 4.673 4.320 0.001 0.000 0.206 1488 K C 0.051 176.212 176.600 -0.731 0.000 1.186 1488 K CA -0.190 55.786 56.287 -0.518 0.000 0.990 1488 K CB 0.847 32.892 32.500 -0.758 0.000 1.003 1488 K HN 0.320 nan 8.250 nan 0.000 0.562 1489 Y N 1.369 121.522 120.300 -0.245 0.000 2.409 1489 Y HA 0.411 4.962 4.550 0.001 0.000 0.339 1489 Y C -0.120 175.694 175.900 -0.144 0.000 1.033 1489 Y CA -1.189 56.795 58.100 -0.194 0.000 1.094 1489 Y CB 2.079 40.458 38.460 -0.134 0.000 1.210 1489 Y HN -0.326 nan 8.280 nan 0.000 0.456 1490 V N 2.579 122.495 119.914 0.003 0.000 2.495 1490 V HA 0.498 4.619 4.120 0.001 0.000 0.298 1490 V C -0.724 175.274 176.094 -0.159 0.000 1.031 1490 V CA -0.734 61.477 62.300 -0.148 0.000 0.871 1490 V CB 1.724 33.473 31.823 -0.123 0.000 0.988 1490 V HN 0.826 nan 8.190 nan 0.000 0.432 1491 S N 3.095 118.629 115.700 -0.277 0.000 2.596 1491 S HA 0.787 5.257 4.470 0.001 0.000 0.318 1491 S C -0.322 174.133 174.600 -0.242 0.000 1.097 1491 S CA -0.562 57.543 58.200 -0.159 0.000 1.080 1491 S CB 1.718 64.883 63.200 -0.058 0.000 0.991 1491 S HN 0.877 nan 8.310 nan 0.000 0.471 1492 T N 1.372 115.867 114.554 -0.097 0.000 2.775 1492 T HA 0.465 4.816 4.350 0.001 0.000 0.320 1492 T C -1.525 173.241 174.700 0.111 0.000 1.597 1492 T CA -0.757 61.353 62.100 0.016 0.000 1.022 1492 T CB 1.101 70.023 68.868 0.091 0.000 1.485 1492 T HN 0.476 nan 8.240 nan 0.000 0.494 1493 R N 1.030 121.619 120.500 0.148 0.000 2.438 1493 R HA 0.571 4.912 4.340 0.001 0.000 0.287 1493 R C 1.346 177.758 176.300 0.186 0.000 1.077 1493 R CA 1.300 57.505 56.100 0.176 0.000 1.034 1493 R CB -0.165 30.262 30.300 0.211 0.000 0.993 1493 R HN 1.288 nan 8.270 nan 0.000 0.459 1494 G N 3.401 112.311 108.800 0.184 0.000 2.176 1494 G HA2 -0.273 3.688 3.960 0.001 0.000 0.232 1494 G HA3 -0.273 3.688 3.960 0.001 0.000 0.232 1494 G C 0.807 175.827 174.900 0.200 0.000 0.986 1494 G CA 0.260 45.467 45.100 0.178 0.000 0.643 1494 G HN 0.543 nan 8.290 nan 0.000 0.522 1495 L N 0.614 121.974 121.223 0.229 0.000 2.051 1495 L HA -0.053 4.288 4.340 0.001 0.000 0.214 1495 L C 1.508 178.601 176.870 0.372 0.000 1.076 1495 L CA 1.874 56.891 54.840 0.295 0.000 0.758 1495 L CB -0.355 41.850 42.059 0.243 0.000 0.890 1495 L HN 0.431 nan 8.230 nan 0.000 0.433 1496 D N 0.094 120.681 120.400 0.311 0.000 2.352 1496 D HA 0.040 4.681 4.640 0.001 0.000 0.245 1496 D C -0.302 176.078 176.300 0.133 0.000 1.224 1496 D CA -0.050 54.112 54.000 0.270 0.000 0.879 1496 D CB 0.649 41.664 40.800 0.359 0.000 1.057 1496 D HN -0.005 nan 8.370 nan 0.000 0.491 1497 D N 2.954 123.264 120.400 -0.149 0.000 2.891 1497 D HA 0.128 4.769 4.640 0.001 0.000 0.312 1497 D C 0.766 176.853 176.300 -0.355 0.000 1.354 1497 D CA -0.318 53.436 54.000 -0.410 0.000 0.838 1497 D CB 0.200 40.384 40.800 -1.027 0.000 1.117 1497 D HN 0.210 nan 8.370 nan 0.000 0.473 1498 R N -0.019 120.427 120.500 -0.091 0.000 2.148 1498 R HA -0.037 4.304 4.340 0.001 0.000 0.223 1498 R C 1.872 178.141 176.300 -0.052 0.000 1.088 1498 R CA 0.481 56.562 56.100 -0.032 0.000 0.985 1498 R CB -0.873 29.507 30.300 0.134 0.000 0.880 1498 R HN 0.444 nan 8.270 nan 0.000 0.451 1499 F N 0.061 120.013 119.950 0.002 0.000 2.171 1499 F HA 0.024 4.551 4.527 0.001 0.000 0.300 1499 F C 1.919 177.686 175.800 -0.054 0.000 1.090 1499 F CA 1.271 59.267 58.000 -0.007 0.000 1.293 1499 F CB -1.049 37.965 39.000 0.023 0.000 1.013 1499 F HN -0.066 nan 8.300 nan 0.000 0.486 1500 G N 0.716 108.816 108.800 -1.166 0.000 2.403 1500 G HA2 -0.107 3.854 3.960 0.001 0.000 0.216 1500 G HA3 -0.107 3.854 3.960 0.001 0.000 0.216 1500 G C 1.669 176.334 174.900 -0.393 0.000 1.154 1500 G CA 0.986 45.541 45.100 -0.909 0.000 0.784 1500 G HN 0.370 nan 8.290 nan 0.000 0.538 1501 V N 0.628 120.361 119.914 -0.300 0.000 2.295 1501 V HA -0.174 3.947 4.120 0.001 0.000 0.246 1501 V C 3.016 178.986 176.094 -0.206 0.000 1.049 1501 V CA 1.495 63.730 62.300 -0.109 0.000 1.024 1501 V CB -0.435 31.289 31.823 -0.164 0.000 0.648 1501 V HN 0.231 nan 8.190 nan 0.000 0.447 1502 V N 0.306 120.006 119.914 -0.357 0.000 2.332 1502 V HA -0.304 3.816 4.120 0.001 0.000 0.248 1502 V C 2.697 178.687 176.094 -0.174 0.000 1.055 1502 V CA 2.160 64.269 62.300 -0.320 0.000 1.038 1502 V CB -1.122 30.590 31.823 -0.184 0.000 0.651 1502 V HN 0.579 nan 8.190 nan 0.000 0.450 1503 A N -0.533 122.213 122.820 -0.124 0.000 1.933 1503 A HA -0.142 4.179 4.320 0.001 0.000 0.218 1503 A C 2.193 179.678 177.584 -0.164 0.000 1.175 1503 A CA 1.715 53.689 52.037 -0.104 0.000 0.628 1503 A CB -0.457 18.514 19.000 -0.048 0.000 0.814 1503 A HN 0.515 nan 8.150 nan 0.000 0.444 1504 L N -0.777 120.351 121.223 -0.159 0.000 2.156 1504 L HA -0.099 4.242 4.340 0.001 0.000 0.208 1504 L C 2.420 179.166 176.870 -0.208 0.000 1.095 1504 L CA 0.857 55.593 54.840 -0.173 0.000 0.770 1504 L CB -0.503 41.425 42.059 -0.218 0.000 0.914 1504 L HN 0.377 nan 8.230 nan 0.000 0.439 1505 I N -0.426 120.084 120.570 -0.099 0.000 2.179 1505 I HA -0.245 3.926 4.170 0.001 0.000 0.242 1505 I C 2.630 178.570 176.117 -0.294 0.000 1.088 1505 I CA 1.039 62.227 61.300 -0.186 0.000 1.357 1505 I CB -0.285 37.580 38.000 -0.225 0.000 1.051 1505 I HN 0.243 nan 8.210 nan 0.000 0.409 1506 E N 1.057 121.112 120.200 -0.242 0.000 2.058 1506 E HA -0.251 4.100 4.350 0.001 0.000 0.194 1506 E C 2.341 178.782 176.600 -0.265 0.000 0.997 1506 E CA 1.656 57.920 56.400 -0.227 0.000 0.801 1506 E CB -0.428 29.179 29.700 -0.156 0.000 0.746 1506 E HN 0.516 nan 8.360 nan 0.000 0.450 1507 A N 1.301 123.943 122.820 -0.297 0.000 1.883 1507 A HA -0.180 4.141 4.320 0.001 0.000 0.217 1507 A C 2.377 179.696 177.584 -0.441 0.000 1.186 1507 A CA 1.402 53.237 52.037 -0.337 0.000 0.624 1507 A CB -0.732 18.068 19.000 -0.333 0.000 0.822 1507 A HN 0.198 nan 8.150 nan 0.000 0.444 1508 I N -0.697 119.498 120.570 -0.624 0.000 2.226 1508 I HA -0.284 3.886 4.170 0.001 0.000 0.245 1508 I C 2.479 178.370 176.117 -0.376 0.000 1.100 1508 I CA 1.726 62.650 61.300 -0.626 0.000 1.374 1508 I CB -0.331 37.307 38.000 -0.603 0.000 1.057 1508 I HN 0.328 nan 8.210 nan 0.000 0.413 1509 K N 0.516 120.647 120.400 -0.448 0.000 2.057 1509 K HA -0.169 4.152 4.320 0.001 0.000 0.207 1509 K C 1.425 177.944 176.600 -0.135 0.000 1.049 1509 K CA 1.421 57.428 56.287 -0.465 0.000 0.931 1509 K CB -0.132 31.947 32.500 -0.702 0.000 0.714 1509 K HN 0.254 nan 8.250 nan 0.000 0.440 1510 D N 0.372 120.700 120.400 -0.119 0.000 2.363 1510 D HA -0.031 4.610 4.640 0.001 0.000 0.220 1510 D C 1.379 177.746 176.300 0.113 0.000 0.994 1510 D CA 0.780 54.786 54.000 0.011 0.000 0.890 1510 D CB 0.228 41.012 40.800 -0.027 0.000 0.906 1510 D HN 0.163 nan 8.370 nan 0.000 0.530 1511 L N -0.039 121.206 121.223 0.037 0.000 2.609 1511 L HA 0.033 4.374 4.340 0.001 0.000 0.230 1511 L C 2.071 179.061 176.870 0.200 0.000 1.087 1511 L CA 0.058 54.956 54.840 0.098 0.000 0.874 1511 L CB 0.373 42.383 42.059 -0.082 0.000 1.114 1511 L HN -0.090 nan 8.230 nan 0.000 0.488 1512 V N -3.832 116.167 119.914 0.142 0.000 2.759 1512 V HA -0.145 3.975 4.120 0.001 0.000 0.256 1512 V C 1.130 177.300 176.094 0.126 0.000 1.080 1512 V CA 1.408 63.792 62.300 0.141 0.000 1.101 1512 V CB -0.548 31.373 31.823 0.163 0.000 0.698 1512 V HN 0.320 nan 8.190 nan 0.000 0.477 1513 D N -0.552 119.913 120.400 0.108 0.000 2.325 1513 D HA 0.177 4.818 4.640 0.001 0.000 0.225 1513 D C 0.042 176.182 176.300 -0.267 0.000 1.096 1513 D CA 0.289 54.244 54.000 -0.074 0.000 0.844 1513 D CB -0.023 40.692 40.800 -0.142 0.000 0.925 1513 D HN 0.643 nan 8.370 nan 0.000 0.513 1514 H N -0.302 118.853 119.070 0.142 0.000 2.747 1514 H HA 0.327 4.883 4.556 0.001 0.000 0.371 1514 H C -0.013 175.417 175.328 0.170 0.000 1.161 1514 H CA -0.676 55.484 56.048 0.187 0.000 1.167 1514 H CB 1.583 31.566 29.762 0.367 0.000 1.732 1514 H HN -0.207 nan 8.280 nan 0.000 0.544 1515 E N 1.949 122.312 120.200 0.271 0.000 2.249 1515 E HA 0.363 4.713 4.350 0.001 0.000 0.280 1515 E C -0.703 176.036 176.600 0.231 0.000 1.016 1515 E CA -0.460 56.057 56.400 0.195 0.000 0.830 1515 E CB 1.497 31.274 29.700 0.128 0.000 1.081 1515 E HN 0.295 nan 8.360 nan 0.000 0.395 1516 L N 1.705 123.037 121.223 0.182 0.000 2.370 1516 L HA 0.305 4.646 4.340 0.001 0.000 0.266 1516 L C 0.215 177.160 176.870 0.125 0.000 1.002 1516 L CA -0.823 54.121 54.840 0.174 0.000 0.818 1516 L CB 1.916 44.060 42.059 0.142 0.000 1.325 1516 L HN 0.512 nan 8.230 nan 0.000 0.418 1517 E N 2.004 122.276 120.200 0.119 0.000 2.406 1517 E HA 0.303 4.653 4.350 0.001 0.000 0.258 1517 E C 0.596 177.239 176.600 0.071 0.000 1.043 1517 E CA 0.720 57.173 56.400 0.088 0.000 0.929 1517 E CB 0.370 30.123 29.700 0.088 0.000 0.969 1517 E HN 0.750 nan 8.360 nan 0.000 0.462 1518 G N 4.529 113.363 108.800 0.058 0.000 2.633 1518 G HA2 -0.333 3.628 3.960 0.001 0.000 0.263 1518 G HA3 -0.333 3.628 3.960 0.001 0.000 0.263 1518 G C -0.498 174.434 174.900 0.053 0.000 1.310 1518 G CA -0.077 45.049 45.100 0.044 0.000 0.914 1518 G HN 0.633 nan 8.290 nan 0.000 0.569 1519 K N -0.739 119.686 120.400 0.041 0.000 2.174 1519 K HA 0.524 4.844 4.320 0.001 0.000 0.275 1519 K C -0.349 176.266 176.600 0.025 0.000 1.015 1519 K CA -0.478 55.840 56.287 0.052 0.000 0.933 1519 K CB 1.652 34.189 32.500 0.061 0.000 1.025 1519 K HN 0.348 nan 8.250 nan 0.000 0.463 1520 V N 5.586 125.525 119.914 0.043 0.000 2.407 1520 V HA 0.359 4.480 4.120 0.001 0.000 0.291 1520 V C -0.371 175.694 176.094 -0.049 0.000 1.018 1520 V CA -0.754 61.533 62.300 -0.021 0.000 0.842 1520 V CB 1.289 33.142 31.823 0.051 0.000 0.996 1520 V HN 0.595 nan 8.190 nan 0.000 0.426 1521 I N 5.208 125.642 120.570 -0.227 0.000 2.412 1521 I HA 0.513 4.684 4.170 0.001 0.000 0.296 1521 I C -0.914 174.963 176.117 -0.400 0.000 0.987 1521 I CA -0.262 60.912 61.300 -0.209 0.000 1.180 1521 I CB 1.472 39.293 38.000 -0.298 0.000 1.340 1521 I HN 0.375 nan 8.210 nan 0.000 0.455 1522 F N 4.626 124.534 119.950 -0.070 0.000 2.449 1522 F HA 0.705 5.233 4.527 0.001 0.000 0.342 1522 F C 0.273 175.941 175.800 -0.219 0.000 1.127 1522 F CA -0.605 57.301 58.000 -0.156 0.000 0.975 1522 F CB 1.770 40.670 39.000 -0.166 0.000 1.146 1522 F HN 0.406 nan 8.300 nan 0.000 0.444 1523 A N 3.758 126.463 122.820 -0.192 0.000 2.343 1523 A HA 0.776 5.097 4.320 0.001 0.000 0.308 1523 A C -1.513 175.919 177.584 -0.254 0.000 1.092 1523 A CA -0.511 51.455 52.037 -0.117 0.000 0.751 1523 A CB 0.337 19.299 19.000 -0.064 0.000 1.203 1523 A HN 0.551 nan 8.150 nan 0.000 0.452 1524 F N 2.448 122.433 119.950 0.057 0.000 2.313 1524 F HA 0.369 4.897 4.527 0.001 0.000 0.369 1524 F C 1.310 177.141 175.800 0.053 0.000 1.109 1524 F CA -0.195 57.824 58.000 0.032 0.000 1.132 1524 F CB 1.265 40.265 39.000 -0.001 0.000 1.291 1524 F HN 0.571 nan 8.300 nan 0.000 0.496 1525 T N 0.119 114.781 114.554 0.179 0.000 2.899 1525 T HA 0.666 5.017 4.350 0.001 0.000 0.284 1525 T C 0.033 174.825 174.700 0.153 0.000 1.004 1525 T CA -0.846 61.351 62.100 0.161 0.000 1.043 1525 T CB 1.618 70.583 68.868 0.161 0.000 1.013 1525 T HN 0.395 nan 8.240 nan 0.000 0.518 1526 V N -0.050 119.926 119.914 0.103 0.000 2.834 1526 V HA 0.511 4.632 4.120 0.001 0.000 0.313 1526 V C 0.264 176.389 176.094 0.051 0.000 1.060 1526 V CA -1.156 61.182 62.300 0.064 0.000 0.989 1526 V CB 0.725 32.551 31.823 0.005 0.000 1.041 1526 V HN 1.052 nan 8.190 nan 0.000 0.459 1527 Q N -0.414 119.401 119.800 0.025 0.000 2.475 1527 Q HA -0.225 4.116 4.340 0.001 0.000 0.280 1527 Q C 1.144 177.130 176.000 -0.023 0.000 1.234 1527 Q CA 1.063 56.865 55.803 -0.001 0.000 0.873 1527 Q CB -0.955 27.785 28.738 0.003 0.000 1.256 1527 Q HN 0.965 nan 8.270 nan 0.000 0.475 1528 E N 1.071 121.225 120.200 -0.078 0.000 2.107 1528 E HA -0.169 4.182 4.350 0.001 0.000 0.191 1528 E C 1.059 177.535 176.600 -0.206 0.000 0.982 1528 E CA 0.999 57.285 56.400 -0.192 0.000 0.809 1528 E CB 0.298 29.693 29.700 -0.508 0.000 0.756 1528 E HN 0.441 nan 8.360 nan 0.000 0.459 1529 E N 0.259 120.342 120.200 -0.194 0.000 2.511 1529 E HA -0.040 4.311 4.350 0.001 0.000 0.196 1529 E C 1.129 177.709 176.600 -0.034 0.000 1.066 1529 E CA 0.423 56.765 56.400 -0.096 0.000 0.871 1529 E CB 0.603 30.266 29.700 -0.061 0.000 0.863 1529 E HN 0.173 nan 8.360 nan 0.000 0.520 1530 V N -3.392 116.502 119.914 -0.034 0.000 2.804 1530 V HA 0.647 4.767 4.120 0.001 0.000 0.360 1530 V C 0.672 176.764 176.094 -0.003 0.000 1.282 1530 V CA -0.095 62.197 62.300 -0.013 0.000 1.274 1530 V CB 0.166 31.982 31.823 -0.011 0.000 1.415 1530 V HN 0.110 nan 8.190 nan 0.000 0.610 1531 G N 1.283 110.082 108.800 -0.002 0.000 2.141 1531 G HA2 -0.170 3.791 3.960 0.001 0.000 0.195 1531 G HA3 -0.170 3.791 3.960 0.001 0.000 0.195 1531 G C 0.233 175.145 174.900 0.020 0.000 1.012 1531 G CA -0.236 44.870 45.100 0.010 0.000 0.696 1531 G HN 1.367 nan 8.290 nan 0.000 0.508 1532 L N -2.148 119.084 121.223 0.015 0.000 3.717 1532 L HA -0.240 4.101 4.340 0.001 0.000 0.411 1532 L C 2.005 178.913 176.870 0.062 0.000 1.233 1532 L CA 1.143 56.008 54.840 0.042 0.000 0.917 1532 L CB -1.523 40.574 42.059 0.062 0.000 1.902 1532 L HN 0.299 nan 8.230 nan 0.000 0.894 1533 K N 0.737 121.168 120.400 0.053 0.000 2.148 1533 K HA 0.006 4.327 4.320 0.001 0.000 0.204 1533 K C 2.000 178.671 176.600 0.118 0.000 1.050 1533 K CA 1.379 57.710 56.287 0.073 0.000 0.942 1533 K CB -0.152 32.379 32.500 0.050 0.000 0.724 1533 K HN 0.600 nan 8.250 nan 0.000 0.446 1534 G N 1.156 110.021 108.800 0.108 0.000 2.394 1534 G HA2 -0.171 3.790 3.960 0.001 0.000 0.214 1534 G HA3 -0.171 3.790 3.960 0.001 0.000 0.214 1534 G C 1.718 176.753 174.900 0.224 0.000 1.176 1534 G CA 0.939 46.124 45.100 0.142 0.000 0.786 1534 G HN 0.352 nan 8.290 nan 0.000 0.533 1535 A N 0.880 123.821 122.820 0.203 0.000 1.933 1535 A HA 0.006 4.327 4.320 0.001 0.000 0.218 1535 A C 2.294 179.981 177.584 0.172 0.000 1.175 1535 A CA 1.929 54.125 52.037 0.266 0.000 0.628 1535 A CB -0.319 18.841 19.000 0.266 0.000 0.814 1535 A HN 0.380 nan 8.150 nan 0.000 0.444 1536 K N -1.610 118.855 120.400 0.109 0.000 2.057 1536 K HA -0.097 4.224 4.320 0.001 0.000 0.207 1536 K C 1.780 178.419 176.600 0.066 0.000 1.049 1536 K CA 1.485 57.784 56.287 0.020 0.000 0.931 1536 K CB -0.343 32.176 32.500 0.031 0.000 0.714 1536 K HN 0.491 nan 8.250 nan 0.000 0.440 1537 F N 1.647 121.629 119.950 0.054 0.000 2.095 1537 F HA -0.250 4.278 4.527 0.002 0.000 0.298 1537 F C 2.044 177.971 175.800 0.211 0.000 1.104 1537 F CA 1.088 59.157 58.000 0.116 0.000 1.232 1537 F CB -0.211 38.855 39.000 0.111 0.000 0.987 1537 F HN -0.100 nan 8.300 nan 0.000 0.475 1538 L N 0.649 122.145 121.223 0.456 0.000 2.042 1538 L HA -0.173 4.168 4.340 0.001 0.000 0.210 1538 L C 2.501 179.597 176.870 0.376 0.000 1.076 1538 L CA 1.995 57.141 54.840 0.511 0.000 0.749 1538 L CB -1.278 41.100 42.059 0.532 0.000 0.893 1538 L HN 0.198 nan 8.230 nan 0.000 0.432 1539 A N -1.119 121.647 122.820 -0.090 0.000 2.125 1539 A HA -0.174 4.147 4.320 0.001 0.000 0.219 1539 A C 1.888 179.339 177.584 -0.222 0.000 1.156 1539 A CA 1.596 53.294 52.037 -0.566 0.000 0.671 1539 A CB -0.640 17.787 19.000 -0.955 0.000 0.794 1539 A HN 0.589 nan 8.150 nan 0.000 0.459 1540 N N -1.144 117.453 118.700 -0.171 0.000 2.398 1540 N HA -0.001 4.740 4.740 0.001 0.000 0.188 1540 N C 0.442 175.675 175.510 -0.463 0.000 1.122 1540 N CA 0.755 53.611 53.050 -0.325 0.000 0.866 1540 N CB -0.046 38.158 38.487 -0.471 0.000 0.970 1540 N HN 0.730 nan 8.380 nan 0.000 0.462 1541 H N -2.242 116.774 119.070 -0.090 0.000 3.241 1541 H HA 0.264 4.821 4.556 0.001 0.000 0.260 1541 H C -0.656 174.419 175.328 -0.421 0.000 1.084 1541 H CA 0.046 55.961 56.048 -0.222 0.000 1.203 1541 H CB 0.538 30.178 29.762 -0.204 0.000 1.524 1541 H HN 0.031 nan 8.280 nan 0.000 0.521 1542 Y N -0.144 120.313 120.300 0.262 0.000 2.457 1542 Y HA 0.229 4.779 4.550 0.001 0.000 0.343 1542 Y C -1.085 175.038 175.900 0.373 0.000 0.994 1542 Y CA -1.330 56.941 58.100 0.284 0.000 1.031 1542 Y CB 1.741 40.369 38.460 0.280 0.000 1.246 1542 Y HN 0.090 nan 8.280 nan 0.000 0.449 1543 Y N 5.588 126.046 120.300 0.262 0.000 2.658 1543 Y HA 0.459 5.010 4.550 0.001 0.000 0.362 1543 Y C -2.842 173.124 175.900 0.110 0.000 1.017 1543 Y CA -2.590 55.613 58.100 0.172 0.000 1.134 1543 Y CB 0.749 39.249 38.460 0.066 0.000 1.144 1543 Y HN 0.386 nan 8.280 nan 0.000 0.655 1544 P HA 0.051 nan 4.420 nan 0.000 0.276 1544 P C 0.075 177.229 177.300 -0.244 0.000 1.244 1544 P CA -0.052 62.967 63.100 -0.134 0.000 0.801 1544 P CB 1.823 33.425 31.700 -0.164 0.000 1.006 1545 Q N 0.641 120.224 119.800 -0.361 0.000 2.083 1545 Q HA -0.078 4.263 4.340 0.001 0.000 0.198 1545 Q C -0.400 175.248 176.000 -0.587 0.000 0.969 1545 Q CA 1.301 56.784 55.803 -0.534 0.000 0.838 1545 Q CB -0.002 28.312 28.738 -0.708 0.000 0.900 1545 Q HN 0.481 nan 8.270 nan 0.000 0.436 1546 Y N -0.741 119.435 120.300 -0.207 0.000 2.361 1546 Y HA 0.633 5.184 4.550 0.001 0.000 0.337 1546 Y C -0.641 174.975 175.900 -0.473 0.000 0.965 1546 Y CA -1.120 56.782 58.100 -0.330 0.000 1.091 1546 Y CB 1.946 40.229 38.460 -0.295 0.000 1.182 1546 Y HN 0.029 nan 8.280 nan 0.000 0.450 1547 A N 4.209 126.777 122.820 -0.421 0.000 2.304 1547 A HA 0.816 5.136 4.320 0.001 0.000 0.314 1547 A C -1.555 175.678 177.584 -0.586 0.000 1.187 1547 A CA -0.523 51.198 52.037 -0.527 0.000 0.810 1547 A CB 0.166 18.829 19.000 -0.561 0.000 1.183 1547 A HN 0.611 nan 8.150 nan 0.000 0.487 1548 F N 1.561 121.269 119.950 -0.402 0.000 2.469 1548 F HA 0.642 5.170 4.527 0.001 0.000 0.332 1548 F C 0.699 176.398 175.800 -0.168 0.000 1.103 1548 F CA -0.298 57.537 58.000 -0.275 0.000 0.979 1548 F CB 2.323 41.140 39.000 -0.305 0.000 1.137 1548 F HN 0.676 nan 8.300 nan 0.000 0.463 1549 A N 3.780 126.648 122.820 0.080 0.000 2.304 1549 A HA 0.787 5.108 4.320 0.001 0.000 0.323 1549 A C -0.948 176.706 177.584 0.117 0.000 1.195 1549 A CA -0.533 51.553 52.037 0.082 0.000 0.826 1549 A CB 0.381 19.423 19.000 0.071 0.000 1.184 1549 A HN 0.627 nan 8.150 nan 0.000 0.496 1550 I N 2.708 123.324 120.570 0.076 0.000 2.330 1550 I HA 0.507 4.678 4.170 0.001 0.000 0.289 1550 I C -0.090 176.003 176.117 -0.039 0.000 1.001 1550 I CA 0.429 61.751 61.300 0.036 0.000 1.193 1550 I CB 1.305 39.273 38.000 -0.053 0.000 1.345 1550 I HN 0.701 nan 8.210 nan 0.000 0.461 1551 D N 2.723 123.189 120.400 0.111 0.000 2.779 1551 D HA 0.373 5.014 4.640 0.001 0.000 0.331 1551 D C -0.866 175.708 176.300 0.457 0.000 1.331 1551 D CA -0.406 53.688 54.000 0.156 0.000 0.866 1551 D CB 1.622 42.543 40.800 0.202 0.000 1.409 1551 D HN 0.298 nan 8.370 nan 0.000 0.486 1552 S N 0.026 115.999 115.700 0.455 0.000 2.584 1552 S HA 0.375 4.846 4.470 0.001 0.000 0.270 1552 S C -0.179 174.618 174.600 0.328 0.000 1.346 1552 S CA -0.277 58.175 58.200 0.421 0.000 1.018 1552 S CB 0.295 63.685 63.200 0.316 0.000 0.899 1552 S HN 0.334 nan 8.310 nan 0.000 0.542 1553 F N 1.569 121.589 119.950 0.117 0.000 2.500 1553 F HA 0.563 5.090 4.527 0.001 0.000 0.349 1553 F C 0.132 175.957 175.800 0.041 0.000 1.127 1553 F CA -0.903 57.145 58.000 0.078 0.000 0.998 1553 F CB 0.213 39.250 39.000 0.063 0.000 1.237 1553 F HN 0.694 nan 8.300 nan 0.000 0.439 1554 A N 4.940 127.621 122.820 -0.232 0.000 2.546 1554 A HA 0.401 4.722 4.320 0.001 0.000 0.243 1554 A C -0.437 177.078 177.584 -0.116 0.000 1.063 1554 A CA 0.178 52.124 52.037 -0.152 0.000 0.757 1554 A CB -0.158 18.731 19.000 -0.184 0.000 0.991 1554 A HN 0.943 nan 8.150 nan 0.000 0.503 1555 C N 2.193 121.493 119.300 0.001 0.000 3.170 1555 C HA 0.683 5.143 4.460 0.001 0.000 0.319 1555 C C -0.638 174.331 174.990 -0.035 0.000 1.260 1555 C CA -0.536 58.521 59.018 0.066 0.000 1.374 1555 C CB 0.408 28.250 27.740 0.171 0.000 1.739 1555 C HN 1.046 nan 8.230 nan 0.000 0.479 1556 C N 2.763 122.051 119.300 -0.021 0.000 2.707 1556 C HA 1.011 5.472 4.460 0.001 0.000 0.313 1556 C C 0.065 175.072 174.990 0.027 0.000 1.209 1556 C CA -0.202 58.837 59.018 0.035 0.000 1.635 1556 C CB 1.183 28.944 27.740 0.035 0.000 2.206 1556 C HN 1.174 nan 8.230 nan 0.000 0.485 1557 S N 0.600 116.324 115.700 0.041 0.000 2.703 1557 S HA 0.563 5.034 4.470 0.001 0.000 0.273 1557 S C -2.823 171.800 174.600 0.039 0.000 1.178 1557 S CA -0.691 57.528 58.200 0.032 0.000 0.838 1557 S CB 0.663 63.874 63.200 0.020 0.000 1.178 1557 S HN 0.310 nan 8.310 nan 0.000 0.494 1558 P HA 0.008 nan 4.420 nan 0.000 0.219 1558 P C 1.548 178.870 177.300 0.036 0.000 1.146 1558 P CA 0.618 63.737 63.100 0.031 0.000 0.808 1558 P CB -0.057 31.657 31.700 0.023 0.000 0.779 1559 L N -1.429 119.813 121.223 0.032 0.000 2.362 1559 L HA -0.026 4.314 4.340 0.001 0.000 0.219 1559 L C 1.631 178.542 176.870 0.068 0.000 1.134 1559 L CA 1.915 56.775 54.840 0.034 0.000 0.807 1559 L CB -1.145 40.920 42.059 0.009 0.000 0.927 1559 L HN -0.112 nan 8.230 nan 0.000 0.447 1560 T N -0.713 113.895 114.554 0.090 0.000 3.054 1560 T HA 0.397 4.747 4.350 0.001 0.000 0.255 1560 T C 1.024 175.817 174.700 0.155 0.000 1.035 1560 T CA 0.506 62.710 62.100 0.173 0.000 0.941 1560 T CB -0.157 68.822 68.868 0.184 0.000 1.026 1560 T HN 0.687 nan 8.240 nan 0.000 0.533 1561 G N 2.151 111.009 108.800 0.096 0.000 2.596 1561 G HA2 -0.295 3.666 3.960 0.001 0.000 0.304 1561 G HA3 -0.295 3.666 3.960 0.001 0.000 0.304 1561 G C 0.195 175.130 174.900 0.058 0.000 1.189 1561 G CA 0.575 45.717 45.100 0.069 0.000 0.986 1561 G HN 0.444 nan 8.290 nan 0.000 0.548 1562 D N 0.372 120.800 120.400 0.047 0.000 2.431 1562 D HA 0.347 4.988 4.640 0.001 0.000 0.213 1562 D C 1.081 177.393 176.300 0.020 0.000 1.130 1562 D CA 0.099 54.118 54.000 0.032 0.000 0.834 1562 D CB 0.581 41.397 40.800 0.026 0.000 0.985 1562 D HN 0.359 nan 8.370 nan 0.000 0.504 1563 V N 1.499 121.425 119.914 0.019 0.000 2.694 1563 V HA -0.004 4.116 4.120 0.001 0.000 0.306 1563 V C 0.522 176.617 176.094 0.002 0.000 1.054 1563 V CA 0.595 62.877 62.300 -0.030 0.000 1.161 1563 V CB 0.694 32.456 31.823 -0.101 0.000 0.916 1563 V HN 0.006 nan 8.190 nan 0.000 0.490 1564 K N 4.361 124.745 120.400 -0.027 0.000 2.542 1564 K HA 0.421 4.742 4.320 0.001 0.000 0.259 1564 K C -1.188 175.403 176.600 -0.016 0.000 0.932 1564 K CA -0.914 55.371 56.287 -0.003 0.000 0.820 1564 K CB 1.607 34.107 32.500 0.000 0.000 1.345 1564 K HN 0.508 nan 8.250 nan 0.000 0.432 1565 L N 3.007 124.251 121.223 0.035 0.000 2.490 1565 L HA 0.095 4.436 4.340 0.001 0.000 0.274 1565 L C 1.341 178.206 176.870 -0.007 0.000 1.201 1565 L CA 1.710 56.596 54.840 0.076 0.000 0.869 1565 L CB 0.196 42.415 42.059 0.268 0.000 1.123 1565 L HN 1.200 nan 8.230 nan 0.000 0.484 1566 G N 2.665 111.280 108.800 -0.309 0.000 2.232 1566 G HA2 -0.235 3.726 3.960 0.001 0.000 0.226 1566 G HA3 -0.235 3.726 3.960 0.001 0.000 0.226 1566 G C 0.858 175.512 174.900 -0.411 0.000 0.996 1566 G CA -0.268 44.383 45.100 -0.750 0.000 0.626 1566 G HN 0.583 nan 8.290 nan 0.000 0.509 1567 K N 1.481 121.741 120.400 -0.233 0.000 2.469 1567 K HA 0.463 4.784 4.320 0.001 0.000 0.201 1567 K C 1.089 177.584 176.600 -0.175 0.000 1.028 1567 K CA 0.711 56.896 56.287 -0.169 0.000 1.170 1567 K CB 0.401 32.838 32.500 -0.106 0.000 0.874 1567 K HN 1.607 nan 8.250 nan 0.000 0.507 1568 G N 2.492 111.167 108.800 -0.208 0.000 2.555 1568 G HA2 -0.149 3.812 3.960 0.001 0.000 0.686 1568 G HA3 -0.149 3.812 3.960 0.001 0.000 0.686 1568 G C -3.162 171.636 174.900 -0.169 0.000 1.275 1568 G CA -1.212 43.776 45.100 -0.187 0.000 0.871 1568 G HN -0.137 nan 8.290 nan 0.000 0.603 1569 P HA 0.430 nan 4.420 nan 0.000 0.269 1569 P C -0.148 177.071 177.300 -0.134 0.000 1.215 1569 P CA -0.157 62.869 63.100 -0.124 0.000 0.780 1569 P CB 1.560 33.201 31.700 -0.099 0.000 0.898 1570 V N 3.701 123.537 119.914 -0.130 0.000 2.604 1570 V HA 0.390 4.511 4.120 0.001 0.000 0.305 1570 V C -0.230 175.819 176.094 -0.074 0.000 1.043 1570 V CA -1.261 60.928 62.300 -0.185 0.000 0.888 1570 V CB 1.198 32.729 31.823 -0.486 0.000 0.995 1570 V HN 0.304 nan 8.190 nan 0.000 0.429 1571 I N 6.852 127.425 120.570 0.005 0.000 2.436 1571 I HA 0.343 4.513 4.170 0.001 0.000 0.289 1571 I C 0.847 177.029 176.117 0.109 0.000 1.083 1571 I CA 0.063 61.420 61.300 0.095 0.000 1.372 1571 I CB 0.590 38.699 38.000 0.183 0.000 1.408 1571 I HN 0.556 nan 8.210 nan 0.000 0.516 1572 R N 6.232 126.840 120.500 0.179 0.000 2.608 1572 R HA 0.300 4.641 4.340 0.001 0.000 0.277 1572 R C 0.795 177.291 176.300 0.327 0.000 1.341 1572 R CA -0.095 56.216 56.100 0.352 0.000 1.199 1572 R CB 0.583 31.099 30.300 0.361 0.000 1.156 1572 R HN 0.855 nan 8.270 nan 0.000 0.558 1573 A N 3.434 126.447 122.820 0.321 0.000 1.970 1573 A HA 0.066 4.387 4.320 0.001 0.000 0.216 1573 A C 0.466 178.273 177.584 0.372 0.000 1.170 1573 A CA 0.758 52.976 52.037 0.303 0.000 0.645 1573 A CB 0.632 19.736 19.000 0.174 0.000 0.816 1573 A HN 0.376 nan 8.150 nan 0.000 0.447 1574 V N 1.116 121.210 119.914 0.300 0.000 2.777 1574 V HA 0.464 4.585 4.120 0.001 0.000 0.306 1574 V C -1.560 174.617 176.094 0.137 0.000 1.112 1574 V CA -0.471 61.915 62.300 0.144 0.000 0.917 1574 V CB 2.114 33.978 31.823 0.068 0.000 1.018 1574 V HN 0.666 nan 8.190 nan 0.000 0.426 1575 D N 1.898 122.328 120.400 0.049 0.000 2.837 1575 D HA 0.308 4.949 4.640 0.001 0.000 0.294 1575 D C 0.400 176.681 176.300 -0.030 0.000 1.158 1575 D CA -0.736 53.283 54.000 0.032 0.000 1.073 1575 D CB 0.712 41.573 40.800 0.102 0.000 1.419 1575 D HN 0.223 nan 8.370 nan 0.000 0.584 1576 N N -1.095 117.591 118.700 -0.023 0.000 2.381 1576 N HA -0.081 4.660 4.740 0.001 0.000 0.182 1576 N C 1.300 176.785 175.510 -0.041 0.000 1.025 1576 N CA 1.290 54.322 53.050 -0.031 0.000 0.888 1576 N CB 0.014 38.489 38.487 -0.021 0.000 0.965 1576 N HN 0.442 nan 8.380 nan 0.000 0.438 1577 S N -1.000 114.674 115.700 -0.044 0.000 2.486 1577 S HA 0.475 4.946 4.470 0.001 0.000 0.220 1577 S C 0.499 175.015 174.600 -0.139 0.000 1.011 1577 S CA -0.029 58.140 58.200 -0.052 0.000 0.921 1577 S CB 0.497 63.703 63.200 0.011 0.000 0.785 1577 S HN 0.214 nan 8.310 nan 0.000 0.517 1578 A N 0.237 122.894 122.820 -0.272 0.000 2.599 1578 A HA 0.645 4.966 4.320 0.001 0.000 0.294 1578 A C -1.547 175.730 177.584 -0.511 0.000 1.055 1578 A CA -0.880 50.890 52.037 -0.445 0.000 0.683 1578 A CB 0.458 19.055 19.000 -0.672 0.000 1.278 1578 A HN 0.318 nan 8.150 nan 0.000 0.412 1579 I N 2.448 122.813 120.570 -0.342 0.000 2.291 1579 I HA 0.294 4.465 4.170 0.001 0.000 0.290 1579 I C -0.519 175.470 176.117 -0.214 0.000 1.050 1579 I CA -0.191 60.978 61.300 -0.217 0.000 1.245 1579 I CB 0.285 38.229 38.000 -0.093 0.000 1.405 1579 I HN 0.651 nan 8.210 nan 0.000 0.478 1580 Y N 3.340 123.658 120.300 0.030 0.000 2.281 1580 Y HA 0.070 4.621 4.550 0.001 0.000 0.337 1580 Y C 1.388 177.295 175.900 0.012 0.000 1.304 1580 Y CA -0.087 58.026 58.100 0.022 0.000 1.465 1580 Y CB 0.565 39.045 38.460 0.033 0.000 1.350 1580 Y HN 0.433 nan 8.280 nan 0.000 0.575 1581 S N 0.979 116.795 115.700 0.193 0.000 2.509 1581 S HA 0.015 4.486 4.470 0.001 0.000 0.287 1581 S C 1.106 175.755 174.600 0.082 0.000 1.248 1581 S CA -0.277 57.981 58.200 0.098 0.000 1.089 1581 S CB 0.072 63.312 63.200 0.068 0.000 0.900 1581 S HN 0.645 nan 8.310 nan 0.000 0.496 1582 R N 2.607 123.143 120.500 0.060 0.000 2.090 1582 R HA -0.068 4.272 4.340 0.001 0.000 0.228 1582 R C 1.659 177.979 176.300 0.032 0.000 1.110 1582 R CA 1.760 57.883 56.100 0.040 0.000 0.973 1582 R CB -0.192 30.119 30.300 0.019 0.000 0.869 1582 R HN 0.765 nan 8.270 nan 0.000 0.440 1583 D N 0.689 121.112 120.400 0.039 0.000 2.144 1583 D HA -0.181 4.460 4.640 0.001 0.000 0.200 1583 D C 1.778 178.104 176.300 0.043 0.000 0.978 1583 D CA 0.628 54.653 54.000 0.042 0.000 0.833 1583 D CB -0.445 40.387 40.800 0.053 0.000 0.961 1583 D HN 0.078 nan 8.370 nan 0.000 0.470 1584 L N 0.884 122.131 121.223 0.040 0.000 2.046 1584 L HA 0.032 4.373 4.340 0.001 0.000 0.208 1584 L C 2.329 179.218 176.870 0.032 0.000 1.077 1584 L CA 1.914 56.749 54.840 -0.009 0.000 0.747 1584 L CB -1.152 40.870 42.059 -0.060 0.000 0.896 1584 L HN 0.110 nan 8.230 nan 0.000 0.432 1585 A N -0.589 122.269 122.820 0.062 0.000 1.940 1585 A HA -0.255 4.066 4.320 0.001 0.000 0.219 1585 A C 2.432 180.092 177.584 0.127 0.000 1.176 1585 A CA 1.806 53.907 52.037 0.107 0.000 0.631 1585 A CB -0.590 18.464 19.000 0.090 0.000 0.814 1585 A HN 0.453 nan 8.150 nan 0.000 0.446 1586 R N 0.242 120.786 120.500 0.074 0.000 2.115 1586 R HA -0.015 4.325 4.340 0.001 0.000 0.230 1586 R C 1.888 178.262 176.300 0.123 0.000 1.111 1586 R CA 1.880 58.028 56.100 0.081 0.000 0.976 1586 R CB -0.465 29.849 30.300 0.023 0.000 0.870 1586 R HN 0.570 nan 8.270 nan 0.000 0.445 1587 K N -0.693 119.752 120.400 0.075 0.000 2.057 1587 K HA -0.061 4.259 4.320 0.001 0.000 0.207 1587 K C 1.877 178.518 176.600 0.069 0.000 1.049 1587 K CA 1.544 57.860 56.287 0.047 0.000 0.931 1587 K CB -0.075 32.405 32.500 -0.033 0.000 0.714 1587 K HN -0.002 nan 8.250 nan 0.000 0.440 1588 V N 0.540 120.517 119.914 0.104 0.000 2.358 1588 V HA -0.228 3.893 4.120 0.001 0.000 0.246 1588 V C 1.911 178.079 176.094 0.124 0.000 1.047 1588 V CA 1.302 63.664 62.300 0.103 0.000 1.035 1588 V CB -0.479 31.435 31.823 0.152 0.000 0.658 1588 V HN 0.542 nan 8.190 nan 0.000 0.452 1589 W N 0.898 122.193 121.300 -0.007 0.000 2.363 1589 W HA -0.189 4.472 4.660 0.001 0.000 0.296 1589 W C 2.493 179.002 176.519 -0.016 0.000 1.212 1589 W CA 1.972 59.309 57.345 -0.013 0.000 1.260 1589 W CB -0.174 29.282 29.460 -0.008 0.000 1.131 1589 W HN 0.338 nan 8.180 nan 0.000 0.530 1590 S N 0.954 116.777 115.700 0.206 0.000 2.355 1590 S HA -0.172 4.299 4.470 0.001 0.000 0.222 1590 S C 1.789 176.399 174.600 0.016 0.000 1.031 1590 S CA 1.533 59.799 58.200 0.110 0.000 0.993 1590 S CB -0.607 62.654 63.200 0.101 0.000 0.859 1590 S HN 0.198 nan 8.310 nan 0.000 0.453 1591 I N 1.865 122.439 120.570 0.007 0.000 2.264 1591 I HA -0.244 3.927 4.170 0.001 0.000 0.248 1591 I C 2.661 178.739 176.117 -0.064 0.000 1.111 1591 I CA 1.068 62.356 61.300 -0.020 0.000 1.382 1591 I CB -0.486 37.505 38.000 -0.015 0.000 1.060 1591 I HN 0.265 nan 8.210 nan 0.000 0.418 1592 A N 0.568 123.320 122.820 -0.112 0.000 1.845 1592 A HA -0.231 4.090 4.320 0.001 0.000 0.215 1592 A C 2.236 179.703 177.584 -0.193 0.000 1.195 1592 A CA 1.711 53.639 52.037 -0.181 0.000 0.616 1592 A CB -0.709 18.120 19.000 -0.286 0.000 0.832 1592 A HN 0.408 nan 8.150 nan 0.000 0.443 1593 E N -0.456 119.602 120.200 -0.237 0.000 2.130 1593 E HA -0.253 4.098 4.350 0.001 0.000 0.196 1593 E C 2.068 178.608 176.600 -0.099 0.000 0.998 1593 E CA 1.487 57.776 56.400 -0.186 0.000 0.806 1593 E CB -0.191 29.413 29.700 -0.160 0.000 0.738 1593 E HN 0.693 nan 8.360 nan 0.000 0.459 1594 K N 0.813 121.173 120.400 -0.068 0.000 2.283 1594 K HA -0.104 4.217 4.320 0.001 0.000 0.202 1594 K C 1.314 177.884 176.600 -0.049 0.000 1.048 1594 K CA 0.991 57.253 56.287 -0.042 0.000 0.948 1594 K CB 0.103 32.589 32.500 -0.023 0.000 0.742 1594 K HN 0.031 nan 8.250 nan 0.000 0.458 1595 N N 0.019 118.681 118.700 -0.065 0.000 2.280 1595 N HA 0.018 4.759 4.740 0.001 0.000 0.192 1595 N C 0.164 175.629 175.510 -0.074 0.000 1.109 1595 N CA 0.756 53.769 53.050 -0.062 0.000 0.855 1595 N CB 0.971 39.423 38.487 -0.058 0.000 0.974 1595 N HN 0.416 nan 8.380 nan 0.000 0.482 1596 G N 1.855 110.602 108.800 -0.088 0.000 2.221 1596 G HA2 -0.260 3.701 3.960 0.001 0.000 0.265 1596 G HA3 -0.260 3.701 3.960 0.001 0.000 0.265 1596 G C -0.026 174.806 174.900 -0.112 0.000 1.041 1596 G CA -0.070 44.974 45.100 -0.094 0.000 0.807 1596 G HN 0.325 nan 8.290 nan 0.000 0.502 1597 I N 0.612 121.097 120.570 -0.140 0.000 2.304 1597 I HA 0.299 4.469 4.170 0.001 0.000 0.291 1597 I C 0.661 176.652 176.117 -0.210 0.000 1.018 1597 I CA -0.861 60.345 61.300 -0.156 0.000 1.260 1597 I CB 1.235 39.144 38.000 -0.152 0.000 1.390 1597 I HN 0.272 nan 8.210 nan 0.000 0.475 1598 E N 7.916 128.003 120.200 -0.189 0.000 2.376 1598 E HA 0.365 4.715 4.350 0.001 0.000 0.266 1598 E C -1.178 175.269 176.600 -0.255 0.000 1.009 1598 E CA 0.255 56.526 56.400 -0.215 0.000 0.902 1598 E CB 0.951 30.552 29.700 -0.165 0.000 0.972 1598 E HN 0.568 nan 8.360 nan 0.000 0.439 1599 I N 2.930 123.295 120.570 -0.342 0.000 2.827 1599 I HA 0.274 4.444 4.170 0.001 0.000 0.298 1599 I C -1.196 174.730 176.117 -0.317 0.000 1.235 1599 I CA -0.629 60.448 61.300 -0.372 0.000 1.021 1599 I CB 1.733 39.421 38.000 -0.521 0.000 1.259 1599 I HN 0.691 nan 8.210 nan 0.000 0.427 1600 Q N 5.260 124.987 119.800 -0.123 0.000 2.496 1600 Q HA 0.693 5.034 4.340 0.001 0.000 0.286 1600 Q C -1.416 174.696 176.000 0.187 0.000 1.103 1600 Q CA -0.825 55.010 55.803 0.054 0.000 0.813 1600 Q CB 3.579 32.270 28.738 -0.078 0.000 1.444 1600 Q HN 0.580 nan 8.270 nan 0.000 0.443 1601 I N -0.573 120.099 120.570 0.170 0.000 2.752 1601 I HA 0.784 4.955 4.170 0.001 0.000 0.295 1601 I C -1.292 174.827 176.117 0.004 0.000 1.219 1601 I CA -0.306 61.051 61.300 0.095 0.000 1.030 1601 I CB 2.125 40.204 38.000 0.133 0.000 1.259 1601 I HN 0.758 nan 8.210 nan 0.000 0.423 1602 G N 4.915 113.734 108.800 0.033 0.000 2.488 1602 G HA2 0.555 4.516 3.960 0.001 0.000 0.301 1602 G HA3 0.555 4.516 3.960 0.001 0.000 0.301 1602 G C -2.147 172.985 174.900 0.388 0.000 1.339 1602 G CA -0.483 44.715 45.100 0.165 0.000 0.803 1602 G HN 0.462 nan 8.290 nan 0.000 0.482 1603 V N -0.174 119.984 119.914 0.408 0.000 2.555 1603 V HA 0.861 4.982 4.120 0.001 0.000 0.302 1603 V C 0.300 176.472 176.094 0.129 0.000 1.038 1603 V CA -0.223 62.235 62.300 0.263 0.000 0.887 1603 V CB 1.449 33.352 31.823 0.132 0.000 0.991 1603 V HN 1.095 nan 8.190 nan 0.000 0.434 1604 T N 2.074 116.560 114.554 -0.112 0.000 2.647 1604 T HA 0.744 5.095 4.350 0.001 0.000 0.295 1604 T C -0.045 174.538 174.700 -0.195 0.000 1.126 1604 T CA 0.252 62.118 62.100 -0.391 0.000 1.040 1604 T CB 1.810 69.961 68.868 -1.196 0.000 1.472 1604 T HN 0.995 nan 8.240 nan 0.000 0.500 1605 G N -1.117 107.566 108.800 -0.195 0.000 2.552 1605 G HA2 0.652 4.613 3.960 0.001 0.000 0.318 1605 G HA3 0.652 4.613 3.960 0.001 0.000 0.318 1605 G C 0.440 175.288 174.900 -0.088 0.000 1.240 1605 G CA 0.057 45.093 45.100 -0.106 0.000 1.002 1605 G HN 1.609 nan 8.290 nan 0.000 0.493 1606 G N -2.157 106.613 108.800 -0.050 0.000 2.796 1606 G HA2 0.453 4.414 3.960 0.001 0.000 0.571 1606 G HA3 0.453 4.414 3.960 0.001 0.000 0.571 1606 G C 0.151 175.062 174.900 0.020 0.000 1.370 1606 G CA 0.014 45.100 45.100 -0.025 0.000 0.856 1606 G HN 1.816 nan 8.290 nan 0.000 0.538 1607 G N -1.297 107.531 108.800 0.046 0.000 2.600 1607 G HA2 1.103 5.064 3.960 0.001 0.000 0.303 1607 G HA3 1.103 5.064 3.960 0.001 0.000 0.303 1607 G C 0.010 174.991 174.900 0.135 0.000 1.253 1607 G CA 0.904 46.059 45.100 0.092 0.000 0.974 1607 G HN 2.089 nan 8.290 nan 0.000 0.483 1608 T N -2.698 111.977 114.554 0.202 0.000 2.887 1608 T HA 0.387 4.738 4.350 0.001 0.000 0.292 1608 T C 0.146 174.957 174.700 0.185 0.000 1.087 1608 T CA -0.520 61.694 62.100 0.190 0.000 1.009 1608 T CB 2.105 71.089 68.868 0.194 0.000 1.203 1608 T HN 0.195 nan 8.240 nan 0.000 0.518 1609 D N 0.595 121.095 120.400 0.166 0.000 2.190 1609 D HA -0.087 4.553 4.640 0.001 0.000 0.200 1609 D C 2.248 178.690 176.300 0.237 0.000 0.992 1609 D CA 1.693 55.804 54.000 0.184 0.000 0.854 1609 D CB -0.522 40.383 40.800 0.176 0.000 0.936 1609 D HN 0.754 nan 8.370 nan 0.000 0.462 1610 A N 0.785 123.725 122.820 0.199 0.000 1.972 1610 A HA -0.179 4.142 4.320 0.001 0.000 0.219 1610 A C 2.272 180.052 177.584 0.326 0.000 1.169 1610 A CA 2.073 54.225 52.037 0.192 0.000 0.635 1610 A CB -0.595 18.407 19.000 0.004 0.000 0.810 1610 A HN 0.324 nan 8.150 nan 0.000 0.446 1611 S N -0.154 115.763 115.700 0.362 0.000 2.500 1611 S HA 0.142 4.612 4.470 0.001 0.000 0.239 1611 S C 1.739 176.441 174.600 0.169 0.000 0.989 1611 S CA 1.028 59.380 58.200 0.253 0.000 0.951 1611 S CB -0.454 62.839 63.200 0.154 0.000 0.759 1611 S HN 0.865 nan 8.310 nan 0.000 0.523 1612 A N -0.086 122.855 122.820 0.201 0.000 2.167 1612 A HA 0.368 4.689 4.320 0.001 0.000 0.214 1612 A C 1.282 178.843 177.584 -0.038 0.000 1.151 1612 A CA 0.410 52.498 52.037 0.085 0.000 0.735 1612 A CB -0.602 18.454 19.000 0.093 0.000 0.802 1612 A HN 0.589 nan 8.150 nan 0.000 0.467 1613 F N -1.194 118.789 119.950 0.054 0.000 2.682 1613 F HA 0.179 4.707 4.527 0.001 0.000 0.308 1613 F C 1.929 177.749 175.800 0.033 0.000 1.093 1613 F CA 0.146 58.171 58.000 0.041 0.000 1.244 1613 F CB 0.206 39.227 39.000 0.034 0.000 1.052 1613 F HN 0.333 nan 8.300 nan 0.000 0.573 1614 Q N 1.089 120.992 119.800 0.171 0.000 2.437 1614 Q HA -0.185 4.156 4.340 0.001 0.000 0.210 1614 Q C 1.088 177.120 176.000 0.055 0.000 0.972 1614 Q CA 1.800 57.670 55.803 0.112 0.000 0.903 1614 Q CB -0.083 28.704 28.738 0.081 0.000 0.967 1614 Q HN 0.430 nan 8.270 nan 0.000 0.486 1615 D N -1.339 119.074 120.400 0.021 0.000 2.340 1615 D HA -0.043 4.598 4.640 0.001 0.000 0.220 1615 D C 0.929 177.218 176.300 -0.019 0.000 1.039 1615 D CA 0.184 54.175 54.000 -0.017 0.000 0.866 1615 D CB 0.230 40.997 40.800 -0.055 0.000 0.913 1615 D HN 0.256 nan 8.370 nan 0.000 0.523 1616 R N -0.973 119.553 120.500 0.043 0.000 2.663 1616 R HA 0.305 4.646 4.340 0.001 0.000 0.199 1616 R C 0.034 176.448 176.300 0.191 0.000 0.870 1616 R CA 0.127 56.272 56.100 0.074 0.000 1.040 1616 R CB 0.848 31.226 30.300 0.130 0.000 1.524 1616 R HN -0.093 nan 8.270 nan 0.000 0.643 1617 S N 0.254 116.065 115.700 0.186 0.000 2.634 1617 S HA 0.426 4.897 4.470 0.001 0.000 0.296 1617 S C -1.018 173.621 174.600 0.064 0.000 1.104 1617 S CA -0.893 57.384 58.200 0.129 0.000 0.920 1617 S CB 2.347 65.623 63.200 0.126 0.000 1.111 1617 S HN -0.005 nan 8.310 nan 0.000 0.493 1618 K N 2.014 122.420 120.400 0.011 0.000 2.350 1618 K HA 0.391 4.712 4.320 0.001 0.000 0.279 1618 K C 0.025 176.602 176.600 -0.039 0.000 1.027 1618 K CA -0.057 56.250 56.287 0.033 0.000 0.969 1618 K CB 0.533 33.102 32.500 0.114 0.000 0.954 1618 K HN 0.742 nan 8.250 nan 0.000 0.474 1619 T N 0.245 114.786 114.554 -0.021 0.000 2.907 1619 T HA 0.720 5.071 4.350 0.001 0.000 0.292 1619 T C -1.050 173.576 174.700 -0.125 0.000 1.043 1619 T CA -0.987 61.064 62.100 -0.082 0.000 1.003 1619 T CB 1.349 70.300 68.868 0.140 0.000 1.084 1619 T HN 0.318 nan 8.240 nan 0.000 0.483 1620 L N 0.665 121.663 121.223 -0.375 0.000 2.653 1620 L HA 0.815 5.155 4.340 0.001 0.000 0.257 1620 L C -1.520 175.077 176.870 -0.455 0.000 0.969 1620 L CA -0.616 53.973 54.840 -0.417 0.000 0.869 1620 L CB 1.900 43.828 42.059 -0.217 0.000 1.439 1620 L HN 1.223 nan 8.230 nan 0.000 0.414 1621 A N 4.120 126.609 122.820 -0.553 0.000 2.331 1621 A HA 0.846 5.167 4.320 0.001 0.000 0.320 1621 A C -1.488 176.113 177.584 0.028 0.000 1.138 1621 A CA -0.488 51.415 52.037 -0.223 0.000 0.790 1621 A CB 0.781 19.611 19.000 -0.283 0.000 1.206 1621 A HN 0.630 nan 8.150 nan 0.000 0.470 1622 L N 1.775 123.077 121.223 0.132 0.000 2.334 1622 L HA 0.726 5.067 4.340 0.001 0.000 0.276 1622 L C -0.018 176.953 176.870 0.167 0.000 1.014 1622 L CA -0.385 54.534 54.840 0.132 0.000 0.815 1622 L CB 2.055 44.171 42.059 0.095 0.000 1.268 1622 L HN 0.719 nan 8.230 nan 0.000 0.428 1623 S N 0.632 116.427 115.700 0.158 0.000 2.607 1623 S HA 0.660 5.130 4.470 0.001 0.000 0.273 1623 S C -0.768 173.886 174.600 0.090 0.000 1.148 1623 S CA -0.725 57.615 58.200 0.233 0.000 0.833 1623 S CB 2.615 65.993 63.200 0.296 0.000 1.130 1623 S HN 0.434 nan 8.310 nan 0.000 0.470 1624 V N -0.190 119.713 119.914 -0.018 0.000 2.630 1624 V HA 0.748 4.869 4.120 0.001 0.000 0.305 1624 V C -2.809 173.243 176.094 -0.069 0.000 1.046 1624 V CA -2.804 59.389 62.300 -0.180 0.000 0.934 1624 V CB 1.039 32.595 31.823 -0.445 0.000 1.003 1624 V HN 0.669 nan 8.190 nan 0.000 0.451 1625 P HA 0.429 nan 4.420 nan 0.000 0.271 1625 P C -0.784 176.534 177.300 0.030 0.000 1.216 1625 P CA 0.133 63.285 63.100 0.087 0.000 0.771 1625 P CB 0.930 32.653 31.700 0.038 0.000 0.864 1626 I N 2.785 123.393 120.570 0.064 0.000 2.466 1626 I HA 0.301 4.472 4.170 0.001 0.000 0.289 1626 I C 0.550 176.630 176.117 -0.061 0.000 1.026 1626 I CA -0.917 60.382 61.300 -0.001 0.000 1.078 1626 I CB 2.312 40.334 38.000 0.037 0.000 1.249 1626 I HN 0.120 nan 8.210 nan 0.000 0.429 1627 K N 5.183 125.464 120.400 -0.198 0.000 2.118 1627 K HA 0.376 4.696 4.320 0.001 0.000 0.264 1627 K C -0.839 175.500 176.600 -0.435 0.000 1.000 1627 K CA -0.525 55.451 56.287 -0.518 0.000 0.929 1627 K CB 0.648 32.537 32.500 -1.018 0.000 1.021 1627 K HN 0.449 nan 8.250 nan 0.000 0.463 1628 Y N -1.204 119.114 120.300 0.030 0.000 3.589 1628 Y HA -0.277 4.275 4.550 0.002 0.000 0.218 1628 Y C 0.285 176.228 175.900 0.072 0.000 1.234 1628 Y CA -0.245 57.877 58.100 0.037 0.000 1.576 1628 Y CB -2.468 36.004 38.460 0.020 0.000 1.487 1628 Y HN 0.552 nan 8.280 nan 0.000 0.616 1629 L N 1.623 122.932 121.223 0.144 0.000 2.605 1629 L HA -0.184 4.157 4.340 0.001 0.000 0.296 1629 L C 1.702 178.738 176.870 0.276 0.000 1.255 1629 L CA 1.309 56.250 54.840 0.168 0.000 0.879 1629 L CB 0.077 42.162 42.059 0.043 0.000 1.124 1629 L HN 0.704 nan 8.230 nan 0.000 0.507 1630 H N 0.251 119.408 119.070 0.146 0.000 2.839 1630 H HA -0.161 4.396 4.556 0.002 0.000 0.298 1630 H C 0.120 175.544 175.328 0.161 0.000 1.224 1630 H CA 0.354 56.495 56.048 0.154 0.000 1.144 1630 H CB -0.921 28.920 29.762 0.131 0.000 1.372 1630 H HN 0.685 nan 8.280 nan 0.000 0.408 1631 S N -0.653 115.189 115.700 0.238 0.000 2.697 1631 S HA 0.323 4.794 4.470 0.001 0.000 0.289 1631 S C 0.866 175.527 174.600 0.103 0.000 1.149 1631 S CA -0.441 57.839 58.200 0.133 0.000 0.850 1631 S CB 2.189 65.447 63.200 0.097 0.000 1.151 1631 S HN 0.407 nan 8.310 nan 0.000 0.491 1632 E N -0.450 119.743 120.200 -0.011 0.000 2.494 1632 E HA 0.134 4.485 4.350 0.001 0.000 0.193 1632 E C 0.471 177.098 176.600 0.044 0.000 1.074 1632 E CA 0.109 56.521 56.400 0.021 0.000 0.867 1632 E CB 0.229 29.888 29.700 -0.068 0.000 0.924 1632 E HN 0.329 nan 8.360 nan 0.000 0.502 1633 V N 2.142 122.086 119.914 0.051 0.000 3.253 1633 V HA -0.004 4.117 4.120 0.001 0.000 0.320 1633 V C 0.191 176.397 176.094 0.187 0.000 1.442 1633 V CA -0.299 62.032 62.300 0.053 0.000 1.097 1633 V CB -0.008 31.777 31.823 -0.063 0.000 1.008 1633 V HN 0.340 nan 8.190 nan 0.000 0.463 1634 E N 0.456 120.771 120.200 0.192 0.000 2.413 1634 E HA 0.178 4.528 4.350 0.001 0.000 0.263 1634 E C -0.693 175.987 176.600 0.134 0.000 1.015 1634 E CA 0.138 56.664 56.400 0.209 0.000 0.916 1634 E CB 0.709 30.524 29.700 0.191 0.000 0.947 1634 E HN 0.254 nan 8.360 nan 0.000 0.440 1635 T N 3.706 118.310 114.554 0.083 0.000 2.928 1635 T HA 0.416 4.767 4.350 0.001 0.000 0.296 1635 T C -0.602 174.115 174.700 0.028 0.000 1.000 1635 T CA -0.828 61.301 62.100 0.048 0.000 0.989 1635 T CB 0.740 69.638 68.868 0.050 0.000 1.005 1635 T HN 0.523 nan 8.240 nan 0.000 0.442 1636 L N 0.082 121.329 121.223 0.039 0.000 2.286 1636 L HA 0.751 5.092 4.340 0.001 0.000 0.265 1636 L C -0.342 176.593 176.870 0.108 0.000 1.012 1636 L CA -0.898 53.956 54.840 0.023 0.000 0.818 1636 L CB 0.924 42.905 42.059 -0.130 0.000 1.337 1636 L HN 0.570 nan 8.230 nan 0.000 0.438 1637 H N 1.243 120.289 119.070 -0.040 0.000 2.519 1637 H HA 0.402 4.959 4.556 0.002 0.000 0.316 1637 H C 0.648 175.868 175.328 -0.179 0.000 1.065 1637 H CA -0.253 55.686 56.048 -0.181 0.000 1.264 1637 H CB 1.612 31.256 29.762 -0.197 0.000 1.413 1637 H HN 0.840 nan 8.280 nan 0.000 0.465 1638 L N 3.693 124.840 121.223 -0.127 0.000 2.043 1638 L HA -0.287 4.053 4.340 0.001 0.000 0.212 1638 L C 1.927 178.836 176.870 0.064 0.000 1.075 1638 L CA 1.578 56.398 54.840 -0.033 0.000 0.752 1638 L CB -0.282 41.722 42.059 -0.092 0.000 0.891 1638 L HN 0.657 nan 8.230 nan 0.000 0.432 1639 N N -0.536 118.308 118.700 0.240 0.000 2.166 1639 N HA -0.193 4.548 4.740 0.001 0.000 0.186 1639 N C 1.361 176.851 175.510 -0.035 0.000 1.019 1639 N CA 1.169 54.268 53.050 0.083 0.000 0.856 1639 N CB 0.012 38.526 38.487 0.045 0.000 0.993 1639 N HN 0.304 nan 8.380 nan 0.000 0.426 1640 D N 0.612 120.978 120.400 -0.057 0.000 2.117 1640 D HA -0.129 4.512 4.640 0.001 0.000 0.197 1640 D C 1.923 178.169 176.300 -0.090 0.000 0.987 1640 D CA 0.583 54.511 54.000 -0.119 0.000 0.829 1640 D CB -0.354 40.365 40.800 -0.135 0.000 0.961 1640 D HN 0.150 nan 8.370 nan 0.000 0.460 1641 L N 1.232 122.414 121.223 -0.068 0.000 2.046 1641 L HA -0.134 4.207 4.340 0.001 0.000 0.208 1641 L C 1.970 178.825 176.870 -0.025 0.000 1.077 1641 L CA 1.798 56.609 54.840 -0.047 0.000 0.747 1641 L CB -0.639 41.405 42.059 -0.026 0.000 0.896 1641 L HN -0.202 nan 8.230 nan 0.000 0.432 1642 E N 0.065 120.249 120.200 -0.027 0.000 2.077 1642 E HA -0.216 4.135 4.350 0.001 0.000 0.193 1642 E C 2.196 178.764 176.600 -0.053 0.000 0.989 1642 E CA 1.533 57.913 56.400 -0.034 0.000 0.800 1642 E CB -0.111 29.573 29.700 -0.028 0.000 0.746 1642 E HN 0.480 nan 8.360 nan 0.000 0.452 1643 K N -0.270 120.089 120.400 -0.068 0.000 2.148 1643 K HA -0.121 4.200 4.320 0.001 0.000 0.204 1643 K C 2.052 178.598 176.600 -0.090 0.000 1.050 1643 K CA 0.910 57.145 56.287 -0.086 0.000 0.942 1643 K CB -0.160 32.275 32.500 -0.108 0.000 0.724 1643 K HN 0.085 nan 8.250 nan 0.000 0.446 1644 L N 0.789 121.966 121.223 -0.075 0.000 2.027 1644 L HA -0.147 4.194 4.340 0.001 0.000 0.206 1644 L C 1.957 178.769 176.870 -0.096 0.000 1.074 1644 L CA 1.448 56.246 54.840 -0.069 0.000 0.745 1644 L CB -0.307 41.746 42.059 -0.009 0.000 0.898 1644 L HN -0.114 nan 8.230 nan 0.000 0.433 1645 V N -0.052 119.812 119.914 -0.084 0.000 2.332 1645 V HA -0.346 3.775 4.120 0.001 0.000 0.248 1645 V C 2.708 178.722 176.094 -0.133 0.000 1.055 1645 V CA 2.174 64.403 62.300 -0.119 0.000 1.038 1645 V CB -0.740 31.027 31.823 -0.093 0.000 0.651 1645 V HN 0.484 nan 8.190 nan 0.000 0.450 1646 K N -0.690 119.649 120.400 -0.103 0.000 2.057 1646 K HA -0.202 4.118 4.320 0.001 0.000 0.207 1646 K C 2.133 178.668 176.600 -0.108 0.000 1.049 1646 K CA 1.591 57.824 56.287 -0.091 0.000 0.931 1646 K CB -0.277 32.179 32.500 -0.074 0.000 0.714 1646 K HN 0.317 nan 8.250 nan 0.000 0.440 1647 L N 1.476 122.624 121.223 -0.125 0.000 2.046 1647 L HA -0.125 4.216 4.340 0.001 0.000 0.208 1647 L C 1.882 178.643 176.870 -0.182 0.000 1.077 1647 L CA 1.470 56.227 54.840 -0.137 0.000 0.747 1647 L CB -0.266 41.711 42.059 -0.136 0.000 0.896 1647 L HN 0.170 nan 8.230 nan 0.000 0.432 1648 I N -0.555 119.866 120.570 -0.249 0.000 2.226 1648 I HA -0.300 3.871 4.170 0.001 0.000 0.245 1648 I C 2.360 178.259 176.117 -0.363 0.000 1.100 1648 I CA 1.487 62.537 61.300 -0.417 0.000 1.374 1648 I CB -0.294 37.363 38.000 -0.573 0.000 1.057 1648 I HN 0.357 nan 8.210 nan 0.000 0.413 1649 E N 0.794 120.825 120.200 -0.282 0.000 2.047 1649 E HA -0.190 4.161 4.350 0.001 0.000 0.191 1649 E C 2.381 178.833 176.600 -0.246 0.000 0.987 1649 E CA 1.172 57.385 56.400 -0.310 0.000 0.799 1649 E CB -0.232 29.334 29.700 -0.224 0.000 0.752 1649 E HN 0.502 nan 8.360 nan 0.000 0.449 1650 A N 1.402 124.180 122.820 -0.069 0.000 1.917 1650 A HA -0.215 4.106 4.320 0.001 0.000 0.219 1650 A C 2.206 179.796 177.584 0.010 0.000 1.182 1650 A CA 1.316 53.379 52.037 0.042 0.000 0.633 1650 A CB -0.743 18.255 19.000 -0.003 0.000 0.819 1650 A HN 0.143 nan 8.150 nan 0.000 0.448 1651 L N -1.067 120.115 121.223 -0.068 0.000 2.056 1651 L HA -0.168 4.173 4.340 0.001 0.000 0.207 1651 L C 3.115 179.980 176.870 -0.008 0.000 1.078 1651 L CA 0.998 55.809 54.840 -0.048 0.000 0.749 1651 L CB -0.639 41.358 42.059 -0.105 0.000 0.901 1651 L HN 0.437 nan 8.230 nan 0.000 0.433 1652 A N -0.078 122.705 122.820 -0.062 0.000 1.940 1652 A HA -0.215 4.106 4.320 0.001 0.000 0.219 1652 A C 2.096 179.615 177.584 -0.108 0.000 1.176 1652 A CA 1.612 53.592 52.037 -0.094 0.000 0.631 1652 A CB -0.799 18.066 19.000 -0.226 0.000 0.814 1652 A HN 0.359 nan 8.150 nan 0.000 0.446 1653 F N -0.610 119.344 119.950 0.008 0.000 2.187 1653 F HA -0.046 4.482 4.527 0.001 0.000 0.295 1653 F C 2.412 178.216 175.800 0.008 0.000 1.091 1653 F CA 1.363 59.361 58.000 -0.003 0.000 1.308 1653 F CB 0.088 39.062 39.000 -0.043 0.000 1.030 1653 F HN 0.260 nan 8.300 nan 0.000 0.487 1654 E N -0.319 119.991 120.200 0.182 0.000 2.490 1654 E HA 0.135 4.486 4.350 0.001 0.000 0.209 1654 E C 0.817 177.457 176.600 0.066 0.000 0.971 1654 E CA -0.172 56.294 56.400 0.110 0.000 0.988 1654 E CB 0.698 30.445 29.700 0.080 0.000 1.029 1654 E HN 0.256 nan 8.360 nan 0.000 0.496 1655 L N 0.000 121.251 121.223 0.046 0.000 2.949 1655 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1655 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 1655 L CB 0.000 42.017 42.059 -0.070 0.000 0.961 1655 L HN 0.000 nan 8.230 nan 0.000 0.502