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 3hrr_1_B DATA FIRST_RESID 1305 DATA SEQUENCE EIKTTTTLHR VVEETTKPLG ATLVVETDIS RKDVNGLARG HLVDGIPLCT DATA SEQUENCE PSFYADIAMQ VGQYSMQRLR XXXXXXXXXX GLVDVSDMVV DKALVPHGKG DATA SEQUENCE PQLLRTTLTM EWPPKAAATT RSAKVKFATY FXXXKLDTEH ASCTVRFTSD DATA SEQUENCE AQLKSLRRSV SEYKTHIRQL HDGHAKGQFM RYNRKTGYKL MSSMARFNPD DATA SEQUENCE YMLLDYLVLN EAENEAASGV DFSLGSSEGT FAAHPAHVDA ITQVAGFAMN DATA SEQUENCE ANDNVDIEKQ VYVNHGWDSF QIYQPLDNSK SYQVYTKMGQ AXXNDLVHGD DATA SEQUENCE VVVLDGEQIV AFFRGLTLRS VPRGALRVVL QT 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 1305 E HA 0.000 nan 4.350 nan 0.000 0.291 1305 E C 0.000 176.568 176.600 -0.053 0.000 1.382 1305 E CA 0.000 56.471 56.400 0.117 0.000 0.976 1305 E CB 0.000 29.718 29.700 0.029 0.000 0.812 1306 I N 3.526 123.802 120.570 -0.490 0.000 2.533 1306 I HA 0.131 4.305 4.170 0.008 0.000 0.284 1306 I C -0.192 175.769 176.117 -0.260 0.000 1.109 1306 I CA -0.195 60.706 61.300 -0.665 0.000 1.412 1306 I CB 0.208 37.583 38.000 -1.042 0.000 1.396 1306 I HN 0.286 nan 8.210 nan 0.000 0.543 1307 K N 6.308 126.623 120.400 -0.142 0.000 2.416 1307 K HA 0.114 4.438 4.320 0.008 0.000 0.283 1307 K C 0.188 176.735 176.600 -0.089 0.000 1.037 1307 K CA -0.121 56.117 56.287 -0.082 0.000 0.995 1307 K CB 0.392 32.866 32.500 -0.044 0.000 0.938 1307 K HN 0.688 nan 8.250 nan 0.000 0.475 1308 T N 0.026 114.537 114.554 -0.072 0.000 2.899 1308 T HA 0.337 4.691 4.350 0.008 0.000 0.295 1308 T C 0.656 175.321 174.700 -0.057 0.000 1.033 1308 T CA -0.582 61.489 62.100 -0.048 0.000 1.084 1308 T CB 1.037 69.891 68.868 -0.023 0.000 0.979 1308 T HN 0.657 nan 8.240 nan 0.000 0.532 1309 T N -1.937 112.589 114.554 -0.047 0.000 2.647 1309 T HA 0.403 4.757 4.350 0.008 0.000 0.295 1309 T C 1.254 175.895 174.700 -0.098 0.000 1.126 1309 T CA -0.470 61.552 62.100 -0.130 0.000 1.040 1309 T CB 0.672 69.427 68.868 -0.187 0.000 1.472 1309 T HN 0.412 nan 8.240 nan 0.000 0.500 1310 T N 1.560 115.942 114.554 -0.287 0.000 2.788 1310 T HA -0.037 4.318 4.350 0.008 0.000 0.268 1310 T C 1.790 176.511 174.700 0.035 0.000 1.044 1310 T CA 2.118 64.114 62.100 -0.175 0.000 1.139 1310 T CB -0.717 67.856 68.868 -0.492 0.000 0.867 1310 T HN 0.946 nan 8.240 nan 0.000 0.454 1311 T N -1.220 113.249 114.554 -0.140 0.000 3.054 1311 T HA 0.484 4.839 4.350 0.008 0.000 0.255 1311 T C 0.129 174.686 174.700 -0.238 0.000 1.035 1311 T CA -0.348 61.614 62.100 -0.231 0.000 0.941 1311 T CB -0.000 68.609 68.868 -0.432 0.000 1.026 1311 T HN 0.251 nan 8.240 nan 0.000 0.533 1312 L N 1.315 122.449 121.223 -0.148 0.000 2.446 1312 L HA 0.486 4.830 4.340 0.008 0.000 0.268 1312 L C 0.040 176.933 176.870 0.039 0.000 0.975 1312 L CA -0.726 54.050 54.840 -0.107 0.000 0.848 1312 L CB 1.470 43.492 42.059 -0.061 0.000 1.225 1312 L HN 0.010 nan 8.230 nan 0.000 0.410 1313 H N 3.925 122.985 119.070 -0.017 0.000 2.460 1313 H HA 0.254 4.815 4.556 0.007 0.000 0.297 1313 H C 0.086 175.394 175.328 -0.033 0.000 1.023 1313 H CA 0.464 56.498 56.048 -0.023 0.000 1.321 1313 H CB 0.406 30.168 29.762 0.000 0.000 1.455 1313 H HN 0.565 nan 8.280 nan 0.000 0.539 1314 R N -0.635 119.920 120.500 0.093 0.000 2.710 1314 R HA 0.546 4.890 4.340 0.008 0.000 0.270 1314 R C -1.677 174.615 176.300 -0.013 0.000 1.021 1314 R CA -0.811 55.304 56.100 0.026 0.000 0.889 1314 R CB 1.460 31.779 30.300 0.032 0.000 1.243 1314 R HN -0.196 nan 8.270 nan 0.000 0.464 1315 V N 2.665 122.560 119.914 -0.033 0.000 2.406 1315 V HA 0.106 4.230 4.120 0.008 0.000 0.272 1315 V C 1.042 177.117 176.094 -0.032 0.000 1.043 1315 V CA -0.390 61.884 62.300 -0.044 0.000 0.915 1315 V CB 1.420 33.209 31.823 -0.056 0.000 0.988 1315 V HN 0.731 nan 8.190 nan 0.000 0.466 1316 V N 3.309 123.199 119.914 -0.040 0.000 2.599 1316 V HA 0.125 4.249 4.120 0.008 0.000 0.245 1316 V C 0.779 176.849 176.094 -0.040 0.000 1.046 1316 V CA 1.143 63.414 62.300 -0.047 0.000 1.065 1316 V CB -0.061 31.714 31.823 -0.079 0.000 0.703 1316 V HN 0.946 nan 8.190 nan 0.000 0.464 1317 E N -0.158 120.021 120.200 -0.035 0.000 2.354 1317 E HA 0.380 4.735 4.350 0.008 0.000 0.283 1317 E C -1.402 175.197 176.600 -0.003 0.000 0.938 1317 E CA -0.404 55.982 56.400 -0.023 0.000 0.777 1317 E CB 2.200 31.879 29.700 -0.036 0.000 1.222 1317 E HN 0.311 nan 8.360 nan 0.000 0.423 1318 E N 3.078 123.287 120.200 0.015 0.000 2.432 1318 E HA 0.235 4.590 4.350 0.008 0.000 0.272 1318 E C -1.711 174.917 176.600 0.047 0.000 0.937 1318 E CA -0.377 56.050 56.400 0.046 0.000 0.812 1318 E CB 1.321 31.064 29.700 0.072 0.000 1.377 1318 E HN 0.490 nan 8.360 nan 0.000 0.399 1319 T N 0.686 115.265 114.554 0.042 0.000 2.812 1319 T HA 0.523 4.878 4.350 0.008 0.000 0.282 1319 T C -0.178 174.555 174.700 0.055 0.000 0.990 1319 T CA -0.563 61.560 62.100 0.037 0.000 0.960 1319 T CB 1.692 70.567 68.868 0.012 0.000 0.948 1319 T HN 0.118 nan 8.240 nan 0.000 0.438 1320 T N 4.051 118.652 114.554 0.079 0.000 2.867 1320 T HA 0.643 4.997 4.350 0.008 0.000 0.282 1320 T C 0.052 174.812 174.700 0.100 0.000 1.000 1320 T CA -0.907 61.270 62.100 0.128 0.000 1.042 1320 T CB 1.306 70.276 68.868 0.170 0.000 0.973 1320 T HN 0.935 nan 8.240 nan 0.000 0.465 1321 K N 2.028 122.496 120.400 0.113 0.000 2.197 1321 K HA 0.623 4.948 4.320 0.008 0.000 0.247 1321 K C -2.195 174.517 176.600 0.187 0.000 1.077 1321 K CA -1.699 54.640 56.287 0.087 0.000 0.882 1321 K CB 0.544 33.046 32.500 0.004 0.000 1.396 1321 K HN 0.127 nan 8.250 nan 0.000 0.482 1322 P HA 0.040 nan 4.420 nan 0.000 0.221 1322 P C 0.937 178.441 177.300 0.340 0.000 1.155 1322 P CA 0.874 64.113 63.100 0.231 0.000 0.812 1322 P CB 0.269 32.045 31.700 0.127 0.000 0.801 1323 L N -1.218 120.046 121.223 0.067 0.000 2.818 1323 L HA 0.485 4.830 4.340 0.008 0.000 0.243 1323 L C 0.922 177.356 176.870 -0.727 0.000 1.185 1323 L CA -0.111 54.642 54.840 -0.145 0.000 0.988 1323 L CB 0.046 42.057 42.059 -0.080 0.000 1.292 1323 L HN 0.103 nan 8.230 nan 0.000 0.519 1324 G N -0.102 108.070 108.800 -1.046 0.000 2.327 1324 G HA2 0.551 4.515 3.960 0.008 0.000 0.291 1324 G HA3 0.551 4.515 3.960 0.008 0.000 0.291 1324 G C -2.172 172.234 174.900 -0.824 0.000 1.290 1324 G CA 0.059 44.293 45.100 -1.444 0.000 0.857 1324 G HN 0.077 nan 8.290 nan 0.000 0.520 1325 A N -1.134 121.329 122.820 -0.595 0.000 2.594 1325 A HA 0.910 5.234 4.320 0.008 0.000 0.295 1325 A C -0.657 176.861 177.584 -0.111 0.000 1.071 1325 A CA -0.131 51.805 52.037 -0.168 0.000 0.685 1325 A CB 1.836 20.883 19.000 0.077 0.000 1.285 1325 A HN 1.333 nan 8.150 nan 0.000 0.405 1326 T N 1.474 116.004 114.554 -0.041 0.000 2.848 1326 T HA 0.584 4.938 4.350 0.008 0.000 0.285 1326 T C -1.230 173.477 174.700 0.011 0.000 0.995 1326 T CA -0.182 61.900 62.100 -0.031 0.000 0.970 1326 T CB 1.060 69.900 68.868 -0.047 0.000 0.976 1326 T HN 0.959 nan 8.240 nan 0.000 0.441 1327 L N 4.747 125.981 121.223 0.019 0.000 2.372 1327 L HA 0.775 5.120 4.340 0.008 0.000 0.274 1327 L C -1.420 175.447 176.870 -0.006 0.000 0.988 1327 L CA -0.537 54.326 54.840 0.038 0.000 0.833 1327 L CB 1.403 43.529 42.059 0.112 0.000 1.236 1327 L HN 0.434 nan 8.230 nan 0.000 0.410 1328 V N 5.918 125.816 119.914 -0.026 0.000 2.384 1328 V HA 0.673 4.798 4.120 0.008 0.000 0.287 1328 V C -0.027 176.036 176.094 -0.051 0.000 1.020 1328 V CA -0.439 61.827 62.300 -0.057 0.000 0.850 1328 V CB 1.531 33.303 31.823 -0.086 0.000 0.987 1328 V HN 0.673 nan 8.190 nan 0.000 0.436 1329 V N 1.773 121.659 119.914 -0.047 0.000 3.019 1329 V HA 0.852 4.976 4.120 0.008 0.000 0.317 1329 V C -0.616 175.462 176.094 -0.026 0.000 1.094 1329 V CA -0.658 61.620 62.300 -0.037 0.000 1.000 1329 V CB 2.112 33.915 31.823 -0.033 0.000 1.060 1329 V HN 0.947 nan 8.190 nan 0.000 0.443 1330 E N 0.335 120.526 120.200 -0.014 0.000 2.314 1330 E HA 0.663 5.017 4.350 0.008 0.000 0.272 1330 E C -1.513 175.074 176.600 -0.022 0.000 0.884 1330 E CA -0.603 55.797 56.400 0.000 0.000 0.753 1330 E CB 2.544 32.247 29.700 0.004 0.000 1.213 1330 E HN 0.897 nan 8.360 nan 0.000 0.432 1331 T N 3.036 117.568 114.554 -0.038 0.000 2.890 1331 T HA 0.137 4.492 4.350 0.008 0.000 0.295 1331 T C -1.243 173.433 174.700 -0.040 0.000 0.993 1331 T CA -0.743 61.215 62.100 -0.236 0.000 0.979 1331 T CB 1.088 69.832 68.868 -0.206 0.000 0.967 1331 T HN 0.374 nan 8.240 nan 0.000 0.441 1332 D N 3.364 123.849 120.400 0.142 0.000 2.374 1332 D HA 0.111 4.755 4.640 0.008 0.000 0.240 1332 D C 1.516 177.916 176.300 0.167 0.000 1.229 1332 D CA -0.876 53.239 54.000 0.192 0.000 0.895 1332 D CB 0.391 41.335 40.800 0.239 0.000 1.046 1332 D HN 0.664 nan 8.370 nan 0.000 0.498 1333 I N 0.499 121.095 120.570 0.044 0.000 3.176 1333 I HA -0.066 4.109 4.170 0.008 0.000 0.275 1333 I C 1.083 177.191 176.117 -0.014 0.000 1.298 1333 I CA 0.264 61.558 61.300 -0.011 0.000 1.445 1333 I CB 0.054 37.933 38.000 -0.201 0.000 1.075 1333 I HN 0.023 nan 8.210 nan 0.000 0.482 1334 S N 0.610 116.315 115.700 0.009 0.000 2.527 1334 S HA 0.097 4.571 4.470 0.008 0.000 0.222 1334 S C 1.039 175.676 174.600 0.061 0.000 0.985 1334 S CA -0.178 58.036 58.200 0.023 0.000 0.921 1334 S CB -0.372 62.853 63.200 0.042 0.000 0.772 1334 S HN 0.445 nan 8.310 nan 0.000 0.529 1335 R N 2.291 122.853 120.500 0.102 0.000 2.585 1335 R HA 0.030 4.374 4.340 0.008 0.000 0.275 1335 R C 1.463 177.800 176.300 0.061 0.000 1.018 1335 R CA 0.216 56.358 56.100 0.070 0.000 1.072 1335 R CB 0.313 30.634 30.300 0.035 0.000 0.953 1335 R HN 0.106 nan 8.270 nan 0.000 0.419 1336 K N 2.292 122.710 120.400 0.030 0.000 2.209 1336 K HA -0.170 4.154 4.320 0.008 0.000 0.204 1336 K C 0.885 177.513 176.600 0.047 0.000 1.048 1336 K CA 1.954 58.261 56.287 0.034 0.000 0.940 1336 K CB 0.100 32.612 32.500 0.021 0.000 0.729 1336 K HN 0.705 nan 8.250 nan 0.000 0.451 1337 D N -0.211 120.213 120.400 0.040 0.000 2.312 1337 D HA -0.116 4.529 4.640 0.008 0.000 0.211 1337 D C 1.609 177.978 176.300 0.116 0.000 0.964 1337 D CA 0.534 54.568 54.000 0.057 0.000 0.877 1337 D CB 0.090 40.898 40.800 0.014 0.000 0.924 1337 D HN 0.131 nan 8.370 nan 0.000 0.515 1338 V N -0.107 119.895 119.914 0.148 0.000 3.612 1338 V HA 0.079 4.204 4.120 0.008 0.000 0.268 1338 V C 1.746 177.944 176.094 0.174 0.000 1.365 1338 V CA 0.436 62.868 62.300 0.219 0.000 1.044 1338 V CB -0.240 31.774 31.823 0.319 0.000 0.820 1338 V HN 0.010 nan 8.190 nan 0.000 0.444 1339 N N 1.194 119.957 118.700 0.104 0.000 2.120 1339 N HA -0.059 4.685 4.740 0.008 0.000 0.188 1339 N C 1.860 177.385 175.510 0.025 0.000 1.024 1339 N CA 2.065 55.137 53.050 0.036 0.000 0.852 1339 N CB -0.476 38.023 38.487 0.020 0.000 1.003 1339 N HN 0.435 nan 8.380 nan 0.000 0.424 1340 G N 0.688 109.525 108.800 0.062 0.000 2.476 1340 G HA2 -0.258 3.706 3.960 0.008 0.000 0.218 1340 G HA3 -0.258 3.706 3.960 0.008 0.000 0.218 1340 G C 1.464 176.424 174.900 0.101 0.000 1.164 1340 G CA 1.093 46.234 45.100 0.068 0.000 0.768 1340 G HN 0.393 nan 8.290 nan 0.000 0.560 1341 L N 1.014 122.342 121.223 0.175 0.000 2.141 1341 L HA 0.268 4.613 4.340 0.008 0.000 0.209 1341 L C 2.977 179.989 176.870 0.236 0.000 1.094 1341 L CA 1.956 56.964 54.840 0.281 0.000 0.763 1341 L CB -0.370 41.857 42.059 0.281 0.000 0.908 1341 L HN 0.211 nan 8.230 nan 0.000 0.437 1342 A N -0.213 122.658 122.820 0.084 0.000 2.019 1342 A HA -0.107 4.217 4.320 0.008 0.000 0.219 1342 A C 1.596 178.985 177.584 -0.325 0.000 1.164 1342 A CA 0.862 52.724 52.037 -0.292 0.000 0.644 1342 A CB -0.542 18.165 19.000 -0.489 0.000 0.805 1342 A HN 0.486 nan 8.150 nan 0.000 0.449 1343 R N 0.218 120.594 120.500 -0.208 0.000 3.657 1343 R HA 0.266 4.610 4.340 0.008 0.000 0.220 1343 R C 1.385 177.470 176.300 -0.359 0.000 1.548 1343 R CA 0.228 56.179 56.100 -0.247 0.000 1.465 1343 R CB 0.022 30.232 30.300 -0.150 0.000 1.330 1343 R HN 0.375 nan 8.270 nan 0.000 0.707 1344 G N 0.129 108.565 108.800 -0.607 0.000 2.396 1344 G HA2 -0.113 3.851 3.960 0.008 0.000 0.214 1344 G HA3 -0.113 3.851 3.960 0.008 0.000 0.214 1344 G C 0.337 174.838 174.900 -0.664 0.000 1.166 1344 G CA 0.336 44.691 45.100 -1.242 0.000 0.793 1344 G HN 0.458 nan 8.290 nan 0.000 0.533 1345 H N -1.967 116.798 119.070 -0.509 0.000 2.731 1345 H HA 0.651 5.212 4.556 0.009 0.000 0.368 1345 H C -1.616 173.490 175.328 -0.371 0.000 1.168 1345 H CA -1.023 54.717 56.048 -0.514 0.000 1.181 1345 H CB 2.835 32.311 29.762 -0.476 0.000 1.743 1345 H HN 0.094 nan 8.280 nan 0.000 0.547 1346 L N 2.198 123.284 121.223 -0.228 0.000 2.439 1346 L HA 0.389 4.734 4.340 0.008 0.000 0.270 1346 L C -1.592 175.185 176.870 -0.154 0.000 0.972 1346 L CA -0.539 54.206 54.840 -0.159 0.000 0.836 1346 L CB 1.611 43.594 42.059 -0.128 0.000 1.255 1346 L HN 0.388 nan 8.230 nan 0.000 0.404 1347 V N 4.254 124.102 119.914 -0.111 0.000 2.407 1347 V HA 0.407 4.531 4.120 0.008 0.000 0.291 1347 V C -0.597 175.459 176.094 -0.062 0.000 1.018 1347 V CA -0.689 61.556 62.300 -0.092 0.000 0.842 1347 V CB 1.485 33.258 31.823 -0.083 0.000 0.996 1347 V HN 0.831 nan 8.190 nan 0.000 0.426 1348 D N 4.264 124.634 120.400 -0.051 0.000 2.708 1348 D HA -0.198 4.447 4.640 0.008 0.000 0.236 1348 D C 1.366 177.646 176.300 -0.033 0.000 1.146 1348 D CA 1.549 55.528 54.000 -0.036 0.000 0.662 1348 D CB -0.986 39.795 40.800 -0.031 0.000 1.059 1348 D HN 1.424 nan 8.370 nan 0.000 0.428 1349 G N -0.664 108.113 108.800 -0.038 0.000 2.175 1349 G HA2 -0.348 3.617 3.960 0.008 0.000 0.265 1349 G HA3 -0.348 3.617 3.960 0.008 0.000 0.265 1349 G C 0.395 175.272 174.900 -0.038 0.000 0.979 1349 G CA 0.523 45.602 45.100 -0.035 0.000 0.663 1349 G HN 0.561 nan 8.290 nan 0.000 0.533 1350 I N 2.908 123.450 120.570 -0.046 0.000 2.312 1350 I HA 0.338 4.513 4.170 0.008 0.000 0.290 1350 I C -1.694 174.380 176.117 -0.072 0.000 1.008 1350 I CA -2.508 58.764 61.300 -0.047 0.000 1.226 1350 I CB 1.733 39.709 38.000 -0.039 0.000 1.371 1350 I HN -0.105 nan 8.210 nan 0.000 0.468 1351 P HA 0.313 nan 4.420 nan 0.000 0.275 1351 P C -1.068 176.142 177.300 -0.149 0.000 1.228 1351 P CA -0.228 62.800 63.100 -0.121 0.000 0.786 1351 P CB 1.185 32.816 31.700 -0.116 0.000 0.927 1352 L N 1.589 122.691 121.223 -0.202 0.000 2.436 1352 L HA 0.348 4.692 4.340 0.008 0.000 0.268 1352 L C 0.157 176.812 176.870 -0.359 0.000 0.974 1352 L CA -0.962 53.737 54.840 -0.234 0.000 0.826 1352 L CB 2.266 44.222 42.059 -0.171 0.000 1.291 1352 L HN 0.424 nan 8.230 nan 0.000 0.406 1353 C N 2.440 121.497 119.300 -0.403 0.000 2.632 1353 C HA 0.412 4.876 4.460 0.008 0.000 0.415 1353 C C 1.143 175.839 174.990 -0.491 0.000 1.332 1353 C CA -0.279 58.416 59.018 -0.539 0.000 1.874 1353 C CB 0.053 27.381 27.740 -0.686 0.000 2.596 1353 C HN 0.843 nan 8.230 nan 0.000 0.590 1354 T N 4.231 118.501 114.554 -0.474 0.000 2.913 1354 T HA 0.340 4.694 4.350 0.008 0.000 0.287 1354 T C -1.742 172.781 174.700 -0.295 0.000 1.008 1354 T CA -1.339 60.540 62.100 -0.369 0.000 1.067 1354 T CB 1.168 69.842 68.868 -0.324 0.000 0.996 1354 T HN 0.499 nan 8.240 nan 0.000 0.513 1355 P HA -0.165 nan 4.420 nan 0.000 0.217 1355 P C 1.894 179.273 177.300 0.131 0.000 1.148 1355 P CA 1.439 64.571 63.100 0.052 0.000 0.828 1355 P CB -0.169 31.656 31.700 0.207 0.000 0.783 1356 S N -1.880 113.903 115.700 0.139 0.000 2.419 1356 S HA -0.214 4.260 4.470 0.008 0.000 0.235 1356 S C 1.847 176.459 174.600 0.020 0.000 1.019 1356 S CA 0.796 59.067 58.200 0.118 0.000 0.982 1356 S CB -1.737 61.498 63.200 0.059 0.000 0.789 1356 S HN 0.069 nan 8.310 nan 0.000 0.490 1357 F N 1.836 121.634 119.950 -0.254 0.000 2.084 1357 F HA -0.041 4.490 4.527 0.007 0.000 0.296 1357 F C 2.123 177.753 175.800 -0.283 0.000 1.111 1357 F CA 1.400 59.207 58.000 -0.322 0.000 1.224 1357 F CB -0.406 38.298 39.000 -0.493 0.000 0.991 1357 F HN 0.108 nan 8.300 nan 0.000 0.471 1358 Y N 0.288 120.557 120.300 -0.050 0.000 2.165 1358 Y HA -0.176 4.378 4.550 0.007 0.000 0.286 1358 Y C 2.579 178.372 175.900 -0.178 0.000 1.155 1358 Y CA 0.717 58.507 58.100 -0.516 0.000 1.164 1358 Y CB -1.798 35.929 38.460 -1.221 0.000 0.978 1358 Y HN 0.134 nan 8.280 nan 0.000 0.513 1359 A N 0.095 123.027 122.820 0.186 0.000 1.902 1359 A HA -0.248 4.077 4.320 0.008 0.000 0.217 1359 A C 2.028 179.764 177.584 0.253 0.000 1.181 1359 A CA 1.994 54.251 52.037 0.367 0.000 0.623 1359 A CB -0.939 18.391 19.000 0.550 0.000 0.818 1359 A HN 0.445 nan 8.150 nan 0.000 0.443 1360 D N 0.139 120.599 120.400 0.100 0.000 2.104 1360 D HA -0.150 4.495 4.640 0.008 0.000 0.194 1360 D C 1.706 178.042 176.300 0.061 0.000 0.994 1360 D CA 1.682 55.697 54.000 0.024 0.000 0.830 1360 D CB -0.291 40.420 40.800 -0.147 0.000 0.959 1360 D HN 0.489 nan 8.370 nan 0.000 0.452 1361 I N 0.424 121.038 120.570 0.072 0.000 2.226 1361 I HA -0.211 3.963 4.170 0.008 0.000 0.245 1361 I C 2.551 178.822 176.117 0.256 0.000 1.100 1361 I CA 1.002 62.397 61.300 0.158 0.000 1.374 1361 I CB -0.372 37.785 38.000 0.261 0.000 1.057 1361 I HN 0.030 nan 8.210 nan 0.000 0.413 1362 A N 0.850 123.898 122.820 0.380 0.000 1.883 1362 A HA -0.221 4.104 4.320 0.008 0.000 0.217 1362 A C 2.378 180.114 177.584 0.252 0.000 1.186 1362 A CA 1.545 53.805 52.037 0.372 0.000 0.624 1362 A CB -0.489 18.803 19.000 0.486 0.000 0.822 1362 A HN 0.267 nan 8.150 nan 0.000 0.444 1363 M N -0.439 119.290 119.600 0.216 0.000 2.108 1363 M HA -0.207 4.278 4.480 0.008 0.000 0.261 1363 M C 2.290 178.673 176.300 0.138 0.000 1.066 1363 M CA 1.666 57.058 55.300 0.153 0.000 1.107 1363 M CB -1.453 31.208 32.600 0.101 0.000 1.356 1363 M HN 0.561 nan 8.290 nan 0.000 0.406 1364 Q N -0.304 119.571 119.800 0.125 0.000 2.016 1364 Q HA -0.133 4.212 4.340 0.008 0.000 0.200 1364 Q C 2.088 178.174 176.000 0.144 0.000 0.978 1364 Q CA 2.012 57.877 55.803 0.103 0.000 0.833 1364 Q CB -0.372 28.400 28.738 0.055 0.000 0.895 1364 Q HN 0.586 nan 8.270 nan 0.000 0.427 1365 V N -2.277 117.731 119.914 0.156 0.000 2.515 1365 V HA -0.018 4.106 4.120 0.008 0.000 0.250 1365 V C 2.002 178.250 176.094 0.257 0.000 1.058 1365 V CA 1.838 64.255 62.300 0.195 0.000 1.064 1365 V CB -1.403 30.504 31.823 0.141 0.000 0.675 1365 V HN 0.336 nan 8.190 nan 0.000 0.461 1366 G N -0.560 108.393 108.800 0.255 0.000 2.414 1366 G HA2 -0.235 3.730 3.960 0.008 0.000 0.215 1366 G HA3 -0.235 3.730 3.960 0.008 0.000 0.215 1366 G C 1.527 176.573 174.900 0.243 0.000 1.188 1366 G CA 0.958 46.276 45.100 0.362 0.000 0.783 1366 G HN 0.547 nan 8.290 nan 0.000 0.537 1367 Q N -1.034 118.865 119.800 0.165 0.000 2.096 1367 Q HA -0.177 4.168 4.340 0.008 0.000 0.204 1367 Q C 2.226 178.249 176.000 0.039 0.000 0.982 1367 Q CA 1.653 57.498 55.803 0.070 0.000 0.850 1367 Q CB -0.321 28.464 28.738 0.079 0.000 0.901 1367 Q HN 0.641 nan 8.270 nan 0.000 0.422 1368 Y N 0.732 121.028 120.300 -0.007 0.000 2.114 1368 Y HA -0.234 4.321 4.550 0.007 0.000 0.284 1368 Y C 2.381 178.253 175.900 -0.046 0.000 1.143 1368 Y CA 1.776 59.865 58.100 -0.019 0.000 1.135 1368 Y CB -0.456 38.009 38.460 0.008 0.000 0.980 1368 Y HN -0.031 nan 8.280 nan 0.000 0.499 1369 S N 0.701 116.320 115.700 -0.135 0.000 2.365 1369 S HA -0.309 4.165 4.470 0.008 0.000 0.225 1369 S C 2.142 176.497 174.600 -0.409 0.000 1.039 1369 S CA 1.859 59.928 58.200 -0.218 0.000 1.033 1369 S CB -0.601 62.664 63.200 0.109 0.000 0.887 1369 S HN 0.640 nan 8.310 nan 0.000 0.447 1370 M N 0.979 120.209 119.600 -0.616 0.000 2.159 1370 M HA -0.188 4.296 4.480 0.008 0.000 0.263 1370 M C 2.166 178.191 176.300 -0.459 0.000 1.063 1370 M CA 1.470 56.240 55.300 -0.884 0.000 1.110 1370 M CB -0.200 31.770 32.600 -1.049 0.000 1.374 1370 M HN 0.308 nan 8.290 nan 0.000 0.411 1371 Q N -0.533 119.070 119.800 -0.328 0.000 2.079 1371 Q HA -0.200 4.145 4.340 0.008 0.000 0.200 1371 Q C 2.076 177.924 176.000 -0.253 0.000 0.974 1371 Q CA 1.685 57.351 55.803 -0.229 0.000 0.840 1371 Q CB -0.272 28.382 28.738 -0.140 0.000 0.898 1371 Q HN 0.502 nan 8.270 nan 0.000 0.430 1372 R N 0.199 120.478 120.500 -0.369 0.000 2.159 1372 R HA -0.164 4.181 4.340 0.008 0.000 0.237 1372 R C 1.462 177.612 176.300 -0.249 0.000 1.131 1372 R CA 0.988 56.874 56.100 -0.357 0.000 0.982 1372 R CB 0.042 29.988 30.300 -0.589 0.000 0.868 1372 R HN 0.152 nan 8.270 nan 0.000 0.453 1373 L N -0.005 121.064 121.223 -0.256 0.000 2.307 1373 L HA 0.160 4.504 4.340 0.008 0.000 0.211 1373 L C 0.689 177.445 176.870 -0.190 0.000 1.099 1373 L CA 1.208 55.916 54.840 -0.220 0.000 0.816 1373 L CB -0.165 41.767 42.059 -0.213 0.000 0.952 1373 L HN 0.089 nan 8.230 nan 0.000 0.455 1386 L N 1.620 122.896 121.223 0.088 0.000 2.312 1386 L HA 0.558 4.903 4.340 0.008 0.000 0.281 1386 L C 0.282 177.226 176.870 0.124 0.000 1.070 1386 L CA -0.981 53.909 54.840 0.083 0.000 0.805 1386 L CB 1.763 43.884 42.059 0.103 0.000 1.174 1386 L HN 0.294 nan 8.230 nan 0.000 0.434 1387 V N 2.159 122.129 119.914 0.093 0.000 2.407 1387 V HA 0.229 4.354 4.120 0.008 0.000 0.278 1387 V C -0.268 175.844 176.094 0.030 0.000 1.037 1387 V CA -0.512 61.880 62.300 0.153 0.000 0.900 1387 V CB 1.567 33.493 31.823 0.173 0.000 0.983 1387 V HN 0.625 nan 8.190 nan 0.000 0.459 1388 D N 3.983 124.413 120.400 0.050 0.000 2.303 1388 D HA 0.269 4.914 4.640 0.008 0.000 0.236 1388 D C -0.535 175.831 176.300 0.110 0.000 1.068 1388 D CA -0.361 53.654 54.000 0.026 0.000 0.830 1388 D CB 2.089 42.924 40.800 0.058 0.000 1.109 1388 D HN 0.252 nan 8.370 nan 0.000 0.496 1389 V N 4.444 124.474 119.914 0.193 0.000 2.352 1389 V HA 0.195 4.320 4.120 0.008 0.000 0.253 1389 V C 0.763 177.165 176.094 0.513 0.000 1.083 1389 V CA -0.193 62.336 62.300 0.382 0.000 0.993 1389 V CB -0.108 32.061 31.823 0.576 0.000 1.111 1389 V HN 0.595 nan 8.190 nan 0.000 0.490 1390 S N 2.524 118.405 115.700 0.302 0.000 2.704 1390 S HA 0.526 5.001 4.470 0.008 0.000 0.305 1390 S C -0.052 174.630 174.600 0.137 0.000 1.107 1390 S CA -0.585 57.778 58.200 0.273 0.000 0.993 1390 S CB 1.641 64.945 63.200 0.173 0.000 1.110 1390 S HN 0.682 nan 8.310 nan 0.000 0.534 1391 D N -0.227 120.232 120.400 0.099 0.000 2.708 1391 D HA -0.152 4.492 4.640 0.008 0.000 0.236 1391 D C -0.381 175.852 176.300 -0.112 0.000 1.146 1391 D CA 0.999 55.002 54.000 0.005 0.000 0.662 1391 D CB -1.408 39.402 40.800 0.017 0.000 1.059 1391 D HN 0.654 nan 8.370 nan 0.000 0.428 1392 M N 0.476 119.874 119.600 -0.336 0.000 2.188 1392 M HA 0.296 4.780 4.480 0.008 0.000 0.354 1392 M C -0.935 175.101 176.300 -0.439 0.000 1.342 1392 M CA -0.246 54.722 55.300 -0.555 0.000 1.117 1392 M CB 1.126 32.852 32.600 -1.458 0.000 1.670 1392 M HN -0.084 nan 8.290 nan 0.000 0.466 1393 V N 6.482 126.213 119.914 -0.305 0.000 2.483 1393 V HA 0.470 4.595 4.120 0.008 0.000 0.297 1393 V C -0.897 175.017 176.094 -0.300 0.000 1.027 1393 V CA -0.869 61.259 62.300 -0.286 0.000 0.855 1393 V CB 1.816 33.533 31.823 -0.178 0.000 0.995 1393 V HN 0.636 nan 8.190 nan 0.000 0.424 1394 V N 3.916 123.613 119.914 -0.362 0.000 2.333 1394 V HA 0.285 4.409 4.120 0.008 0.000 0.274 1394 V C 0.616 176.560 176.094 -0.250 0.000 1.028 1394 V CA -0.026 62.124 62.300 -0.249 0.000 0.851 1394 V CB 1.297 33.030 31.823 -0.150 0.000 1.000 1394 V HN 0.954 nan 8.190 nan 0.000 0.456 1395 D N 3.493 123.793 120.400 -0.165 0.000 2.338 1395 D HA 0.133 4.778 4.640 0.008 0.000 0.224 1395 D C 0.558 176.817 176.300 -0.067 0.000 0.967 1395 D CA 1.023 54.946 54.000 -0.127 0.000 0.896 1395 D CB 0.535 41.267 40.800 -0.113 0.000 1.028 1395 D HN 0.505 nan 8.370 nan 0.000 0.493 1396 K N 0.125 120.510 120.400 -0.024 0.000 2.468 1396 K HA 0.657 4.981 4.320 0.008 0.000 0.252 1396 K C -1.002 175.689 176.600 0.152 0.000 0.932 1396 K CA -0.953 55.349 56.287 0.026 0.000 0.794 1396 K CB 2.386 34.859 32.500 -0.044 0.000 1.241 1396 K HN 0.017 nan 8.250 nan 0.000 0.428 1397 A N 2.221 125.098 122.820 0.096 0.000 2.561 1397 A HA 0.089 4.414 4.320 0.008 0.000 0.234 1397 A C -0.450 177.204 177.584 0.116 0.000 1.055 1397 A CA 0.099 52.179 52.037 0.071 0.000 0.756 1397 A CB -0.060 18.951 19.000 0.018 0.000 0.986 1397 A HN 0.533 nan 8.150 nan 0.000 0.505 1398 L N 3.750 124.930 121.223 -0.072 0.000 2.319 1398 L HA 0.578 4.922 4.340 0.008 0.000 0.281 1398 L C -0.694 176.047 176.870 -0.215 0.000 1.005 1398 L CA -0.206 54.468 54.840 -0.277 0.000 0.828 1398 L CB 1.645 43.336 42.059 -0.614 0.000 1.227 1398 L HN 0.343 nan 8.230 nan 0.000 0.415 1399 V N 7.462 127.293 119.914 -0.138 0.000 2.294 1399 V HA 0.408 4.532 4.120 0.008 0.000 0.272 1399 V C -2.103 173.893 176.094 -0.163 0.000 1.027 1399 V CA -1.333 60.895 62.300 -0.119 0.000 0.823 1399 V CB 1.023 32.826 31.823 -0.033 0.000 1.030 1399 V HN 0.709 nan 8.190 nan 0.000 0.457 1400 P HA 0.209 nan 4.420 nan 0.000 0.277 1400 P C 0.320 177.507 177.300 -0.190 0.000 1.354 1400 P CA -0.197 62.730 63.100 -0.289 0.000 0.891 1400 P CB 0.236 31.759 31.700 -0.296 0.000 1.058 1401 H N 1.946 120.986 119.070 -0.050 0.000 2.428 1401 H HA 0.070 4.631 4.556 0.007 0.000 0.296 1401 H C 1.475 176.794 175.328 -0.015 0.000 1.062 1401 H CA 0.913 56.947 56.048 -0.024 0.000 1.350 1401 H CB -0.928 28.834 29.762 -0.000 0.000 1.403 1401 H HN 0.463 nan 8.280 nan 0.000 0.533 1402 G N 0.220 109.092 108.800 0.119 0.000 2.153 1402 G HA2 -0.334 3.631 3.960 0.008 0.000 0.252 1402 G HA3 -0.334 3.631 3.960 0.008 0.000 0.252 1402 G C -0.120 174.900 174.900 0.200 0.000 0.994 1402 G CA 0.367 45.537 45.100 0.117 0.000 0.698 1402 G HN 0.582 nan 8.290 nan 0.000 0.521 1403 K N 0.516 121.157 120.400 0.402 0.000 2.499 1403 K HA 0.562 4.886 4.320 0.008 0.000 0.215 1403 K C 0.797 177.492 176.600 0.159 0.000 1.041 1403 K CA 0.078 56.463 56.287 0.163 0.000 1.031 1403 K CB 0.970 33.464 32.500 -0.010 0.000 1.479 1403 K HN 1.449 nan 8.250 nan 0.000 0.518 1404 G N 2.707 111.597 108.800 0.150 0.000 2.756 1404 G HA2 -0.181 3.783 3.960 0.008 0.000 0.678 1404 G HA3 -0.181 3.783 3.960 0.008 0.000 0.678 1404 G C -2.863 172.156 174.900 0.199 0.000 1.349 1404 G CA -1.385 43.797 45.100 0.137 0.000 0.847 1404 G HN 0.244 nan 8.290 nan 0.000 0.548 1405 P HA 0.293 nan 4.420 nan 0.000 0.266 1405 P C -0.334 177.075 177.300 0.181 0.000 1.195 1405 P CA 0.396 63.582 63.100 0.143 0.000 0.768 1405 P CB 0.755 32.531 31.700 0.125 0.000 0.838 1406 Q N 2.652 122.509 119.800 0.096 0.000 2.414 1406 Q HA 0.358 4.703 4.340 0.008 0.000 0.256 1406 Q C -1.521 174.500 176.000 0.036 0.000 0.974 1406 Q CA -0.360 55.467 55.803 0.041 0.000 0.723 1406 Q CB 0.429 29.030 28.738 -0.229 0.000 1.281 1406 Q HN 0.380 nan 8.270 nan 0.000 0.470 1407 L N 4.715 125.990 121.223 0.087 0.000 2.259 1407 L HA 0.347 4.691 4.340 0.008 0.000 0.288 1407 L C -0.439 176.508 176.870 0.128 0.000 1.051 1407 L CA -0.802 54.101 54.840 0.105 0.000 0.824 1407 L CB 0.766 42.901 42.059 0.127 0.000 1.206 1407 L HN 0.525 nan 8.230 nan 0.000 0.429 1408 L N 5.375 126.664 121.223 0.110 0.000 2.278 1408 L HA 0.312 4.657 4.340 0.008 0.000 0.287 1408 L C 0.065 177.039 176.870 0.174 0.000 1.072 1408 L CA 0.252 55.195 54.840 0.172 0.000 0.819 1408 L CB 0.327 42.493 42.059 0.178 0.000 1.176 1408 L HN 0.472 nan 8.230 nan 0.000 0.435 1409 R N 3.434 124.059 120.500 0.208 0.000 2.265 1409 R HA 0.486 4.831 4.340 0.008 0.000 0.319 1409 R C -0.693 175.660 176.300 0.088 0.000 1.006 1409 R CA -0.485 55.668 56.100 0.088 0.000 0.880 1409 R CB 1.234 31.502 30.300 -0.054 0.000 1.077 1409 R HN 0.596 nan 8.270 nan 0.000 0.454 1410 T N 2.213 116.776 114.554 0.014 0.000 2.772 1410 T HA 0.233 4.587 4.350 0.008 0.000 0.288 1410 T C -0.307 174.301 174.700 -0.154 0.000 0.994 1410 T CA -0.358 61.668 62.100 -0.123 0.000 0.951 1410 T CB 1.526 70.370 68.868 -0.041 0.000 0.933 1410 T HN 0.365 nan 8.240 nan 0.000 0.447 1411 T N 4.339 118.764 114.554 -0.214 0.000 2.758 1411 T HA 0.524 4.879 4.350 0.008 0.000 0.285 1411 T C -0.448 174.156 174.700 -0.160 0.000 0.981 1411 T CA -0.541 61.471 62.100 -0.147 0.000 0.965 1411 T CB 0.631 69.432 68.868 -0.112 0.000 0.927 1411 T HN 0.426 nan 8.240 nan 0.000 0.448 1412 L N 4.637 125.806 121.223 -0.091 0.000 2.313 1412 L HA 0.741 5.086 4.340 0.008 0.000 0.283 1412 L C -0.105 176.744 176.870 -0.035 0.000 1.013 1412 L CA -0.328 54.481 54.840 -0.052 0.000 0.816 1412 L CB 1.261 43.332 42.059 0.020 0.000 1.236 1412 L HN 0.726 nan 8.230 nan 0.000 0.419 1413 T N 2.366 116.891 114.554 -0.048 0.000 2.841 1413 T HA 0.674 5.029 4.350 0.008 0.000 0.283 1413 T C -0.448 174.211 174.700 -0.069 0.000 1.000 1413 T CA -0.774 61.285 62.100 -0.070 0.000 0.977 1413 T CB 1.626 70.439 68.868 -0.090 0.000 0.979 1413 T HN 0.577 nan 8.240 nan 0.000 0.446 1414 M N 1.899 121.422 119.600 -0.129 0.000 2.530 1414 M HA 0.548 5.033 4.480 0.008 0.000 0.307 1414 M C -0.688 175.359 176.300 -0.423 0.000 1.161 1414 M CA -0.633 54.578 55.300 -0.150 0.000 0.903 1414 M CB 2.885 35.502 32.600 0.028 0.000 1.711 1414 M HN 0.732 nan 8.290 nan 0.000 0.451 1415 E N 1.146 121.157 120.200 -0.315 0.000 2.317 1415 E HA 0.667 5.022 4.350 0.008 0.000 0.270 1415 E C -1.945 174.568 176.600 -0.144 0.000 0.885 1415 E CA -0.611 55.543 56.400 -0.410 0.000 0.760 1415 E CB 2.519 32.094 29.700 -0.209 0.000 1.227 1415 E HN 0.558 nan 8.360 nan 0.000 0.434 1416 W N 0.397 121.706 121.300 0.014 0.000 3.066 1416 W HA 0.559 5.223 4.660 0.007 0.000 0.330 1416 W C -3.177 173.348 176.519 0.011 0.000 1.253 1416 W CA -2.251 55.103 57.345 0.016 0.000 1.187 1416 W CB -1.057 28.416 29.460 0.021 0.000 1.434 1416 W HN 0.227 nan 8.180 nan 0.000 0.572 1417 P HA 0.281 nan 4.420 nan 0.000 0.272 1417 P C -2.390 175.050 177.300 0.234 0.000 1.230 1417 P CA -0.930 62.295 63.100 0.209 0.000 0.788 1417 P CB 0.243 32.018 31.700 0.124 0.000 0.949 1418 P HA 0.216 nan 4.420 nan 0.000 0.293 1418 P C -0.855 176.472 177.300 0.045 0.000 1.300 1418 P CA -0.382 62.787 63.100 0.115 0.000 0.792 1418 P CB 0.513 32.273 31.700 0.099 0.000 0.925 1419 K N 1.605 122.004 120.400 -0.001 0.000 2.682 1419 K HA 0.614 4.938 4.320 0.008 0.000 0.189 1419 K C 0.064 176.571 176.600 -0.154 0.000 1.062 1419 K CA -0.795 55.458 56.287 -0.056 0.000 0.997 1419 K CB 0.575 33.042 32.500 -0.055 0.000 1.405 1419 K HN 0.233 nan 8.250 nan 0.000 0.588 1420 A N 1.286 124.019 122.820 -0.146 0.000 2.532 1420 A HA 0.382 4.706 4.320 0.008 0.000 0.273 1420 A C 1.758 179.153 177.584 -0.314 0.000 1.342 1420 A CA 0.201 52.143 52.037 -0.158 0.000 0.929 1420 A CB -0.265 18.711 19.000 -0.039 0.000 1.051 1420 A HN 0.691 nan 8.150 nan 0.000 0.521 1421 A N 0.426 122.798 122.820 -0.747 0.000 1.940 1421 A HA -0.093 4.231 4.320 0.008 0.000 0.221 1421 A C 2.345 179.581 177.584 -0.582 0.000 1.190 1421 A CA 2.216 53.467 52.037 -1.309 0.000 0.647 1421 A CB -0.831 17.090 19.000 -1.799 0.000 0.821 1421 A HN 1.322 nan 8.150 nan 0.000 0.457 1422 A N -0.772 121.820 122.820 -0.379 0.000 2.172 1422 A HA 0.037 4.362 4.320 0.008 0.000 0.216 1422 A C 2.106 179.630 177.584 -0.101 0.000 1.154 1422 A CA 2.013 53.924 52.037 -0.211 0.000 0.701 1422 A CB -1.099 17.796 19.000 -0.175 0.000 0.789 1422 A HN 0.895 nan 8.150 nan 0.000 0.465 1423 T N -3.404 111.106 114.554 -0.073 0.000 3.129 1423 T HA 0.085 4.439 4.350 0.008 0.000 0.251 1423 T C 0.633 175.382 174.700 0.082 0.000 1.117 1423 T CA 0.637 62.740 62.100 0.006 0.000 1.034 1423 T CB -0.603 68.272 68.868 0.011 0.000 0.968 1423 T HN 0.178 nan 8.240 nan 0.000 0.526 1424 T N 3.178 117.806 114.554 0.123 0.000 2.834 1424 T HA 0.257 4.612 4.350 0.008 0.000 0.298 1424 T C 0.953 175.858 174.700 0.342 0.000 0.966 1424 T CA -0.384 61.866 62.100 0.251 0.000 1.141 1424 T CB 0.745 69.842 68.868 0.382 0.000 0.905 1424 T HN 0.343 nan 8.240 nan 0.000 0.535 1425 R N 1.501 122.132 120.500 0.218 0.000 2.437 1425 R HA 0.228 4.573 4.340 0.008 0.000 0.257 1425 R C 0.467 176.620 176.300 -0.246 0.000 0.927 1425 R CA -0.161 56.031 56.100 0.153 0.000 1.078 1425 R CB 0.465 30.828 30.300 0.104 0.000 1.161 1425 R HN 0.673 nan 8.270 nan 0.000 0.529 1426 S N -0.466 115.081 115.700 -0.255 0.000 2.596 1426 S HA 0.821 5.295 4.470 0.008 0.000 0.270 1426 S C -1.388 173.071 174.600 -0.236 0.000 1.155 1426 S CA -0.782 57.164 58.200 -0.424 0.000 0.827 1426 S CB 2.561 65.638 63.200 -0.204 0.000 1.130 1426 S HN 0.105 nan 8.310 nan 0.000 0.467 1427 A N 1.348 124.037 122.820 -0.219 0.000 2.488 1427 A HA 0.760 5.085 4.320 0.008 0.000 0.298 1427 A C -1.158 176.390 177.584 -0.060 0.000 1.044 1427 A CA -0.910 51.092 52.037 -0.059 0.000 0.693 1427 A CB 1.361 20.396 19.000 0.058 0.000 1.272 1427 A HN 0.630 nan 8.150 nan 0.000 0.402 1428 K N 1.247 121.616 120.400 -0.052 0.000 2.276 1428 K HA 0.531 4.856 4.320 0.008 0.000 0.283 1428 K C -0.779 175.770 176.600 -0.085 0.000 1.044 1428 K CA -0.183 56.067 56.287 -0.062 0.000 0.944 1428 K CB 1.552 34.013 32.500 -0.066 0.000 1.012 1428 K HN 0.434 nan 8.250 nan 0.000 0.472 1429 V N 3.564 123.410 119.914 -0.113 0.000 2.588 1429 V HA 0.386 4.511 4.120 0.008 0.000 0.304 1429 V C -0.250 175.630 176.094 -0.357 0.000 1.042 1429 V CA -0.945 61.207 62.300 -0.248 0.000 0.877 1429 V CB 2.019 33.701 31.823 -0.236 0.000 0.996 1429 V HN 0.600 nan 8.190 nan 0.000 0.425 1430 K N 3.615 123.727 120.400 -0.480 0.000 2.371 1430 K HA 0.692 5.016 4.320 0.008 0.000 0.251 1430 K C -1.784 174.484 176.600 -0.552 0.000 0.934 1430 K CA -0.523 55.537 56.287 -0.379 0.000 0.798 1430 K CB 2.721 35.115 32.500 -0.175 0.000 1.204 1430 K HN 0.497 nan 8.250 nan 0.000 0.427 1431 F N 1.143 121.036 119.950 -0.095 0.000 2.460 1431 F HA 0.537 5.068 4.527 0.008 0.000 0.341 1431 F C -0.045 175.751 175.800 -0.006 0.000 1.130 1431 F CA -0.736 57.221 58.000 -0.073 0.000 0.962 1431 F CB 2.058 40.874 39.000 -0.306 0.000 1.171 1431 F HN 0.486 nan 8.300 nan 0.000 0.436 1432 A N 1.413 124.380 122.820 0.246 0.000 2.455 1432 A HA 0.753 5.078 4.320 0.008 0.000 0.300 1432 A C -0.467 177.270 177.584 0.254 0.000 1.040 1432 A CA -0.854 51.285 52.037 0.170 0.000 0.697 1432 A CB 1.055 20.084 19.000 0.048 0.000 1.265 1432 A HN 0.641 nan 8.150 nan 0.000 0.407 1433 T N -0.303 114.348 114.554 0.162 0.000 2.889 1433 T HA 0.665 5.019 4.350 0.008 0.000 0.291 1433 T C -0.587 174.000 174.700 -0.189 0.000 0.995 1433 T CA -0.051 62.112 62.100 0.106 0.000 1.092 1433 T CB 0.485 69.422 68.868 0.116 0.000 0.954 1433 T HN 0.408 nan 8.240 nan 0.000 0.506 1434 Y N 0.162 120.386 120.300 -0.128 0.000 2.524 1434 Y HA 0.560 5.114 4.550 0.008 0.000 0.344 1434 Y C 0.241 176.056 175.900 -0.141 0.000 1.012 1434 Y CA -1.507 56.493 58.100 -0.167 0.000 1.068 1434 Y CB 1.530 39.965 38.460 -0.041 0.000 1.249 1434 Y HN 0.622 nan 8.280 nan 0.000 0.468 1440 L N 3.627 124.798 121.223 -0.086 0.000 2.628 1440 L HA -0.029 4.316 4.340 0.008 0.000 0.274 1440 L C 0.593 177.136 176.870 -0.546 0.000 1.209 1440 L CA 1.140 55.578 54.840 -0.670 0.000 0.930 1440 L CB 0.747 42.542 42.059 -0.440 0.000 1.183 1440 L HN 0.435 nan 8.230 nan 0.000 0.492 1441 D N 2.200 122.098 120.400 -0.836 0.000 2.805 1441 D HA 0.128 4.773 4.640 0.008 0.000 0.271 1441 D C -0.320 175.706 176.300 -0.458 0.000 1.166 1441 D CA 0.839 54.321 54.000 -0.863 0.000 1.004 1441 D CB 0.702 40.816 40.800 -1.143 0.000 1.136 1441 D HN 0.587 nan 8.370 nan 0.000 0.444 1442 T N 0.292 114.562 114.554 -0.474 0.000 2.933 1442 T HA 0.387 4.742 4.350 0.008 0.000 0.305 1442 T C -1.182 173.126 174.700 -0.653 0.000 1.092 1442 T CA -0.746 61.047 62.100 -0.512 0.000 1.008 1442 T CB 2.278 70.817 68.868 -0.550 0.000 1.102 1442 T HN -0.059 nan 8.240 nan 0.000 0.469 1443 E N 1.259 121.152 120.200 -0.512 0.000 2.130 1443 E HA 0.294 4.648 4.350 0.008 0.000 0.284 1443 E C -0.013 176.334 176.600 -0.422 0.000 1.018 1443 E CA -0.322 55.852 56.400 -0.377 0.000 0.817 1443 E CB 1.208 30.777 29.700 -0.219 0.000 1.078 1443 E HN 0.674 nan 8.360 nan 0.000 0.396 1444 H N 1.586 120.584 119.070 -0.119 0.000 2.439 1444 H HA 0.319 4.880 4.556 0.007 0.000 0.299 1444 H C 0.173 175.357 175.328 -0.239 0.000 1.033 1444 H CA 0.665 56.617 56.048 -0.159 0.000 1.348 1444 H CB 0.791 30.463 29.762 -0.150 0.000 1.449 1444 H HN 0.527 nan 8.280 nan 0.000 0.544 1445 A N -0.068 122.662 122.820 -0.149 0.000 2.599 1445 A HA 0.645 4.970 4.320 0.008 0.000 0.290 1445 A C -1.136 176.470 177.584 0.037 0.000 1.101 1445 A CA -0.162 51.755 52.037 -0.200 0.000 0.674 1445 A CB 1.191 19.821 19.000 -0.618 0.000 1.277 1445 A HN 0.266 nan 8.150 nan 0.000 0.419 1446 S N -1.254 114.464 115.700 0.029 0.000 2.579 1446 S HA 0.850 5.325 4.470 0.008 0.000 0.272 1446 S C -0.367 174.276 174.600 0.073 0.000 1.141 1446 S CA -0.183 58.062 58.200 0.074 0.000 0.843 1446 S CB 0.868 64.050 63.200 -0.030 0.000 1.122 1446 S HN 2.602 nan 8.310 nan 0.000 0.468 1447 C N -0.515 118.842 119.300 0.095 0.000 3.320 1447 C HA 0.909 5.373 4.460 0.008 0.000 0.335 1447 C C -0.734 174.279 174.990 0.038 0.000 1.430 1447 C CA -0.537 58.522 59.018 0.067 0.000 1.271 1447 C CB 0.856 28.689 27.740 0.155 0.000 1.609 1447 C HN 0.948 nan 8.230 nan 0.000 0.457 1448 T N 2.055 116.630 114.554 0.036 0.000 2.791 1448 T HA 0.585 4.939 4.350 0.008 0.000 0.288 1448 T C 0.074 174.781 174.700 0.012 0.000 0.999 1448 T CA -0.296 61.806 62.100 0.003 0.000 0.952 1448 T CB 1.024 69.883 68.868 -0.015 0.000 0.938 1448 T HN 1.494 nan 8.240 nan 0.000 0.444 1449 V N 2.682 122.582 119.914 -0.022 0.000 2.649 1449 V HA 0.664 4.789 4.120 0.008 0.000 0.292 1449 V C -0.091 175.822 176.094 -0.301 0.000 1.055 1449 V CA -0.804 61.464 62.300 -0.054 0.000 1.023 1449 V CB 0.585 32.436 31.823 0.046 0.000 0.992 1449 V HN 0.758 nan 8.190 nan 0.000 0.480 1450 R N 3.479 123.823 120.500 -0.261 0.000 2.599 1450 R HA 0.597 4.942 4.340 0.008 0.000 0.295 1450 R C -1.634 174.522 176.300 -0.241 0.000 0.963 1450 R CA -0.516 55.374 56.100 -0.350 0.000 0.883 1450 R CB 2.014 32.249 30.300 -0.108 0.000 1.171 1450 R HN 0.703 nan 8.270 nan 0.000 0.450 1451 F N 1.192 121.174 119.950 0.054 0.000 2.334 1451 F HA 0.276 4.808 4.527 0.008 0.000 0.365 1451 F C 0.984 176.809 175.800 0.042 0.000 1.124 1451 F CA -0.604 57.420 58.000 0.041 0.000 1.166 1451 F CB 0.968 39.988 39.000 0.034 0.000 1.355 1451 F HN 0.296 nan 8.300 nan 0.000 0.532 1452 T N 1.146 115.805 114.554 0.174 0.000 2.937 1452 T HA 0.610 4.965 4.350 0.008 0.000 0.283 1452 T C 0.296 175.061 174.700 0.107 0.000 1.012 1452 T CA -0.516 61.653 62.100 0.114 0.000 0.997 1452 T CB 0.893 69.819 68.868 0.096 0.000 1.136 1452 T HN 0.584 nan 8.240 nan 0.000 0.551 1453 S N 0.901 116.653 115.700 0.087 0.000 2.681 1453 S HA 0.284 4.759 4.470 0.008 0.000 0.270 1453 S C 0.460 175.102 174.600 0.070 0.000 1.209 1453 S CA -0.395 57.846 58.200 0.069 0.000 0.988 1453 S CB 0.739 63.970 63.200 0.052 0.000 1.006 1453 S HN 0.820 nan 8.310 nan 0.000 0.558 1454 D N -0.674 119.752 120.400 0.044 0.000 2.325 1454 D HA 0.232 4.876 4.640 0.008 0.000 0.225 1454 D C 1.510 177.802 176.300 -0.014 0.000 1.096 1454 D CA 0.293 54.305 54.000 0.021 0.000 0.844 1454 D CB -0.438 40.364 40.800 0.003 0.000 0.925 1454 D HN 0.519 nan 8.370 nan 0.000 0.513 1455 A N 0.810 123.634 122.820 0.007 0.000 1.883 1455 A HA -0.302 4.022 4.320 0.008 0.000 0.217 1455 A C 2.216 179.784 177.584 -0.026 0.000 1.186 1455 A CA 1.932 53.966 52.037 -0.005 0.000 0.624 1455 A CB -0.816 18.193 19.000 0.015 0.000 0.822 1455 A HN 0.380 nan 8.150 nan 0.000 0.444 1456 Q N -0.983 118.814 119.800 -0.005 0.000 2.050 1456 Q HA -0.183 4.161 4.340 0.008 0.000 0.202 1456 Q C 2.009 177.922 176.000 -0.145 0.000 0.980 1456 Q CA 1.704 57.487 55.803 -0.033 0.000 0.840 1456 Q CB -0.298 28.471 28.738 0.052 0.000 0.898 1456 Q HN 0.511 nan 8.270 nan 0.000 0.424 1457 L N 1.318 122.408 121.223 -0.221 0.000 2.013 1457 L HA -0.241 4.104 4.340 0.008 0.000 0.212 1457 L C 1.940 178.630 176.870 -0.299 0.000 1.073 1457 L CA 2.057 56.592 54.840 -0.508 0.000 0.753 1457 L CB -0.446 41.249 42.059 -0.607 0.000 0.890 1457 L HN 0.137 nan 8.230 nan 0.000 0.432 1458 K N -1.196 119.100 120.400 -0.174 0.000 2.057 1458 K HA -0.155 4.170 4.320 0.008 0.000 0.207 1458 K C 2.347 178.887 176.600 -0.099 0.000 1.049 1458 K CA 1.455 57.672 56.287 -0.116 0.000 0.931 1458 K CB -0.375 32.082 32.500 -0.072 0.000 0.714 1458 K HN 0.417 nan 8.250 nan 0.000 0.440 1459 S N 1.118 116.761 115.700 -0.096 0.000 2.356 1459 S HA -0.088 4.387 4.470 0.008 0.000 0.223 1459 S C 1.928 176.476 174.600 -0.087 0.000 1.032 1459 S CA 0.947 59.099 58.200 -0.079 0.000 1.005 1459 S CB -0.211 62.950 63.200 -0.065 0.000 0.867 1459 S HN 0.194 nan 8.310 nan 0.000 0.449 1460 L N 0.778 121.919 121.223 -0.136 0.000 2.042 1460 L HA -0.102 4.243 4.340 0.008 0.000 0.210 1460 L C 2.893 179.748 176.870 -0.026 0.000 1.076 1460 L CA 1.457 56.242 54.840 -0.092 0.000 0.749 1460 L CB -0.471 41.455 42.059 -0.221 0.000 0.893 1460 L HN 0.285 nan 8.230 nan 0.000 0.432 1461 R N -0.292 120.157 120.500 -0.084 0.000 2.127 1461 R HA -0.144 4.200 4.340 0.008 0.000 0.238 1461 R C 2.357 178.641 176.300 -0.026 0.000 1.134 1461 R CA 1.238 57.307 56.100 -0.051 0.000 0.975 1461 R CB -0.212 30.041 30.300 -0.078 0.000 0.865 1461 R HN 0.367 nan 8.270 nan 0.000 0.447 1462 R N -0.530 119.948 120.500 -0.038 0.000 2.193 1462 R HA 0.055 4.400 4.340 0.008 0.000 0.213 1462 R C 1.610 177.882 176.300 -0.046 0.000 1.055 1462 R CA 0.912 56.989 56.100 -0.038 0.000 0.995 1462 R CB 0.210 30.484 30.300 -0.043 0.000 0.893 1462 R HN 0.058 nan 8.270 nan 0.000 0.459 1463 S N 0.235 115.908 115.700 -0.046 0.000 2.575 1463 S HA 0.031 4.505 4.470 0.008 0.000 0.215 1463 S C 1.847 176.415 174.600 -0.052 0.000 0.966 1463 S CA -0.028 58.098 58.200 -0.123 0.000 0.911 1463 S CB 0.364 63.411 63.200 -0.256 0.000 0.780 1463 S HN 0.016 nan 8.310 nan 0.000 0.514 1464 V N 2.754 122.714 119.914 0.076 0.000 2.250 1464 V HA -0.257 3.868 4.120 0.008 0.000 0.250 1464 V C 2.805 178.949 176.094 0.082 0.000 1.060 1464 V CA 2.301 64.693 62.300 0.154 0.000 1.030 1464 V CB -1.141 30.739 31.823 0.096 0.000 0.643 1464 V HN 0.741 nan 8.190 nan 0.000 0.445 1465 S N -0.246 115.458 115.700 0.007 0.000 2.383 1465 S HA -0.312 4.162 4.470 0.008 0.000 0.229 1465 S C 1.958 176.516 174.600 -0.070 0.000 1.030 1465 S CA 2.054 60.241 58.200 -0.022 0.000 1.002 1465 S CB -0.469 62.711 63.200 -0.034 0.000 0.829 1465 S HN 0.756 nan 8.310 nan 0.000 0.467 1466 E N -0.280 119.841 120.200 -0.133 0.000 2.072 1466 E HA -0.140 4.215 4.350 0.008 0.000 0.191 1466 E C 1.738 178.207 176.600 -0.219 0.000 0.985 1466 E CA 1.217 57.478 56.400 -0.233 0.000 0.801 1466 E CB -0.332 29.198 29.700 -0.284 0.000 0.750 1466 E HN 0.688 nan 8.360 nan 0.000 0.452 1467 Y N 1.206 121.487 120.300 -0.031 0.000 2.165 1467 Y HA -0.164 4.390 4.550 0.007 0.000 0.286 1467 Y C 2.252 178.073 175.900 -0.131 0.000 1.155 1467 Y CA 1.191 59.243 58.100 -0.080 0.000 1.164 1467 Y CB -0.212 38.254 38.460 0.011 0.000 0.978 1467 Y HN -0.037 nan 8.280 nan 0.000 0.513 1468 K N -0.620 119.834 120.400 0.091 0.000 2.147 1468 K HA -0.112 4.213 4.320 0.008 0.000 0.205 1468 K C 2.011 178.614 176.600 0.005 0.000 1.049 1468 K CA 1.549 57.869 56.287 0.055 0.000 0.936 1468 K CB -0.688 31.841 32.500 0.048 0.000 0.722 1468 K HN 0.309 nan 8.250 nan 0.000 0.446 1469 T N 0.529 115.039 114.554 -0.073 0.000 2.777 1469 T HA -0.091 4.264 4.350 0.008 0.000 0.266 1469 T C 1.644 176.269 174.700 -0.126 0.000 1.040 1469 T CA 0.923 62.951 62.100 -0.120 0.000 1.141 1469 T CB -0.156 68.590 68.868 -0.203 0.000 0.868 1469 T HN 0.258 nan 8.240 nan 0.000 0.444 1470 H N 0.743 119.730 119.070 -0.137 0.000 2.352 1470 H HA 0.025 4.586 4.556 0.007 0.000 0.299 1470 H C 2.362 177.638 175.328 -0.087 0.000 1.097 1470 H CA 1.148 57.087 56.048 -0.183 0.000 1.311 1470 H CB -0.467 28.957 29.762 -0.563 0.000 1.377 1470 H HN 0.350 nan 8.280 nan 0.000 0.504 1471 I N 0.375 120.965 120.570 0.034 0.000 2.142 1471 I HA -0.272 3.903 4.170 0.008 0.000 0.240 1471 I C 2.910 179.181 176.117 0.256 0.000 1.078 1471 I CA 1.183 62.581 61.300 0.164 0.000 1.343 1471 I CB -0.261 37.861 38.000 0.202 0.000 1.046 1471 I HN 0.106 nan 8.210 nan 0.000 0.405 1472 R N 0.817 121.441 120.500 0.206 0.000 2.105 1472 R HA -0.222 4.123 4.340 0.008 0.000 0.239 1472 R C 2.258 178.679 176.300 0.201 0.000 1.135 1472 R CA 1.658 57.886 56.100 0.213 0.000 0.967 1472 R CB -0.125 30.236 30.300 0.102 0.000 0.861 1472 R HN 0.454 nan 8.270 nan 0.000 0.442 1473 Q N 0.047 119.941 119.800 0.155 0.000 2.167 1473 Q HA -0.106 4.238 4.340 0.008 0.000 0.202 1473 Q C 2.195 178.359 176.000 0.273 0.000 0.970 1473 Q CA 1.199 57.110 55.803 0.181 0.000 0.855 1473 Q CB 0.045 28.876 28.738 0.154 0.000 0.911 1473 Q HN 0.376 nan 8.270 nan 0.000 0.438 1474 L N -0.284 121.067 121.223 0.213 0.000 2.027 1474 L HA -0.204 4.141 4.340 0.008 0.000 0.206 1474 L C 2.324 179.331 176.870 0.228 0.000 1.074 1474 L CA 1.004 55.953 54.840 0.183 0.000 0.745 1474 L CB -0.499 41.541 42.059 -0.031 0.000 0.898 1474 L HN 0.354 nan 8.230 nan 0.000 0.433 1475 H N -0.303 118.912 119.070 0.241 0.000 2.387 1475 H HA -0.145 4.416 4.556 0.008 0.000 0.299 1475 H C 1.753 177.190 175.328 0.183 0.000 1.090 1475 H CA 1.485 57.656 56.048 0.205 0.000 1.332 1475 H CB -0.098 29.735 29.762 0.119 0.000 1.386 1475 H HN 0.377 nan 8.280 nan 0.000 0.516 1476 D N -0.003 120.551 120.400 0.257 0.000 2.117 1476 D HA -0.090 4.555 4.640 0.008 0.000 0.197 1476 D C 2.426 178.773 176.300 0.077 0.000 0.987 1476 D CA 1.125 55.208 54.000 0.138 0.000 0.829 1476 D CB -0.612 40.254 40.800 0.110 0.000 0.961 1476 D HN 0.432 nan 8.370 nan 0.000 0.460 1477 G N -0.275 108.601 108.800 0.126 0.000 2.402 1477 G HA2 -0.305 3.660 3.960 0.008 0.000 0.216 1477 G HA3 -0.305 3.660 3.960 0.008 0.000 0.216 1477 G C 1.539 176.342 174.900 -0.162 0.000 1.162 1477 G CA 1.176 46.174 45.100 -0.170 0.000 0.777 1477 G HN 0.370 nan 8.290 nan 0.000 0.539 1478 H N 1.247 120.358 119.070 0.068 0.000 2.353 1478 H HA 0.172 4.732 4.556 0.006 0.000 0.300 1478 H C 2.535 177.860 175.328 -0.004 0.000 1.090 1478 H CA 1.691 57.772 56.048 0.053 0.000 1.327 1478 H CB -0.381 29.453 29.762 0.119 0.000 1.383 1478 H HN 0.255 nan 8.280 nan 0.000 0.508 1479 A N 0.516 123.227 122.820 -0.182 0.000 2.125 1479 A HA -0.099 4.226 4.320 0.008 0.000 0.219 1479 A C 1.908 179.373 177.584 -0.197 0.000 1.156 1479 A CA 1.446 53.350 52.037 -0.221 0.000 0.671 1479 A CB -0.254 18.712 19.000 -0.056 0.000 0.794 1479 A HN 0.542 nan 8.150 nan 0.000 0.459 1480 K N -1.535 118.755 120.400 -0.183 0.000 2.372 1480 K HA 0.292 4.616 4.320 0.008 0.000 0.200 1480 K C 0.924 177.414 176.600 -0.183 0.000 1.022 1480 K CA 0.396 56.585 56.287 -0.164 0.000 1.125 1480 K CB 0.218 32.628 32.500 -0.151 0.000 0.855 1480 K HN 0.557 nan 8.250 nan 0.000 0.524 1481 G N 1.954 110.622 108.800 -0.219 0.000 2.143 1481 G HA2 -0.325 3.639 3.960 0.008 0.000 0.249 1481 G HA3 -0.325 3.639 3.960 0.008 0.000 0.249 1481 G C 0.652 175.458 174.900 -0.158 0.000 0.981 1481 G CA 0.421 45.422 45.100 -0.166 0.000 0.665 1481 G HN 0.421 nan 8.290 nan 0.000 0.528 1482 Q N -1.451 118.184 119.800 -0.276 0.000 2.297 1482 Q HA 0.375 4.720 4.340 0.008 0.000 0.203 1482 Q C 0.245 176.066 176.000 -0.298 0.000 0.931 1482 Q CA 0.687 56.235 55.803 -0.424 0.000 0.885 1482 Q CB 0.471 28.694 28.738 -0.857 0.000 0.991 1482 Q HN 0.504 nan 8.270 nan 0.000 0.498 1483 F N -0.012 119.984 119.950 0.077 0.000 2.563 1483 F HA 0.417 4.948 4.527 0.006 0.000 0.316 1483 F C 0.031 175.894 175.800 0.104 0.000 1.076 1483 F CA -1.657 56.394 58.000 0.085 0.000 0.921 1483 F CB 1.003 40.054 39.000 0.084 0.000 1.209 1483 F HN -0.120 nan 8.300 nan 0.000 0.462 1484 M N 2.427 122.168 119.600 0.235 0.000 2.228 1484 M HA 0.236 4.720 4.480 0.008 0.000 0.351 1484 M C -0.003 176.212 176.300 -0.142 0.000 1.233 1484 M CA 0.215 55.508 55.300 -0.012 0.000 1.129 1484 M CB 0.596 33.137 32.600 -0.099 0.000 1.604 1484 M HN 0.630 nan 8.290 nan 0.000 0.457 1485 R N 2.816 123.094 120.500 -0.371 0.000 2.439 1485 R HA 0.390 4.734 4.340 0.008 0.000 0.310 1485 R C -1.889 174.164 176.300 -0.411 0.000 0.955 1485 R CA -0.403 55.435 56.100 -0.437 0.000 0.853 1485 R CB 0.992 30.772 30.300 -0.868 0.000 1.171 1485 R HN 0.514 nan 8.270 nan 0.000 0.449 1486 Y N 3.114 123.382 120.300 -0.054 0.000 2.335 1486 Y HA 0.256 4.809 4.550 0.005 0.000 0.339 1486 Y C 0.449 176.311 175.900 -0.062 0.000 0.987 1486 Y CA -0.609 57.459 58.100 -0.052 0.000 1.140 1486 Y CB 1.047 39.441 38.460 -0.110 0.000 1.173 1486 Y HN 0.487 nan 8.280 nan 0.000 0.486 1487 N N 2.720 121.479 118.700 0.099 0.000 2.416 1487 N HA 0.003 4.747 4.740 0.008 0.000 0.246 1487 N C 1.460 177.010 175.510 0.066 0.000 1.260 1487 N CA -0.016 53.086 53.050 0.085 0.000 0.897 1487 N CB 0.601 39.134 38.487 0.077 0.000 1.110 1487 N HN 0.727 nan 8.380 nan 0.000 0.439 1488 R N 1.985 122.520 120.500 0.058 0.000 2.143 1488 R HA -0.230 4.115 4.340 0.008 0.000 0.239 1488 R C 1.386 177.775 176.300 0.148 0.000 1.126 1488 R CA 2.009 58.149 56.100 0.068 0.000 0.927 1488 R CB -0.047 30.323 30.300 0.117 0.000 0.860 1488 R HN 0.523 nan 8.270 nan 0.000 0.433 1489 K N -0.990 119.503 120.400 0.156 0.000 2.147 1489 K HA -0.080 4.244 4.320 0.008 0.000 0.205 1489 K C 2.087 178.784 176.600 0.162 0.000 1.049 1489 K CA 1.835 58.230 56.287 0.178 0.000 0.936 1489 K CB -0.029 32.543 32.500 0.119 0.000 0.722 1489 K HN 0.320 nan 8.250 nan 0.000 0.446 1490 T N 0.230 114.866 114.554 0.137 0.000 2.812 1490 T HA -0.075 4.280 4.350 0.008 0.000 0.264 1490 T C 1.931 176.717 174.700 0.144 0.000 1.042 1490 T CA 1.329 63.528 62.100 0.165 0.000 1.140 1490 T CB -0.400 68.589 68.868 0.203 0.000 0.870 1490 T HN 0.455 nan 8.240 nan 0.000 0.445 1491 G N 0.279 109.095 108.800 0.026 0.000 2.446 1491 G HA2 -0.234 3.731 3.960 0.008 0.000 0.217 1491 G HA3 -0.234 3.731 3.960 0.008 0.000 0.217 1491 G C 1.228 176.033 174.900 -0.160 0.000 1.168 1491 G CA 0.704 45.659 45.100 -0.242 0.000 0.771 1491 G HN 0.482 nan 8.290 nan 0.000 0.551 1492 Y N 0.717 121.004 120.300 -0.023 0.000 2.293 1492 Y HA -0.013 4.542 4.550 0.007 0.000 0.291 1492 Y C 2.741 178.693 175.900 0.086 0.000 1.137 1492 Y CA 1.451 59.562 58.100 0.018 0.000 1.202 1492 Y CB -0.156 38.296 38.460 -0.012 0.000 0.990 1492 Y HN 0.157 nan 8.280 nan 0.000 0.537 1493 K N 0.234 120.753 120.400 0.198 0.000 2.026 1493 K HA -0.220 4.105 4.320 0.008 0.000 0.208 1493 K C 2.050 178.715 176.600 0.108 0.000 1.048 1493 K CA 1.395 57.769 56.287 0.145 0.000 0.929 1493 K CB -0.470 32.105 32.500 0.126 0.000 0.713 1493 K HN 0.240 nan 8.250 nan 0.000 0.439 1494 L N 0.950 122.223 121.223 0.083 0.000 2.079 1494 L HA -0.151 4.193 4.340 0.008 0.000 0.210 1494 L C 2.010 178.880 176.870 0.000 0.000 1.081 1494 L CA 1.613 56.462 54.840 0.016 0.000 0.752 1494 L CB -0.191 41.815 42.059 -0.088 0.000 0.896 1494 L HN 0.286 nan 8.230 nan 0.000 0.433 1495 M N -1.331 118.307 119.600 0.065 0.000 2.541 1495 M HA 0.045 4.530 4.480 0.008 0.000 0.252 1495 M C 2.289 178.664 176.300 0.124 0.000 1.125 1495 M CA 1.008 56.363 55.300 0.092 0.000 1.091 1495 M CB -1.096 31.633 32.600 0.215 0.000 1.420 1495 M HN 0.512 nan 8.290 nan 0.000 0.486 1496 S N 0.075 115.853 115.700 0.130 0.000 2.447 1496 S HA -0.094 4.381 4.470 0.008 0.000 0.233 1496 S C 1.966 176.600 174.600 0.057 0.000 1.006 1496 S CA 1.324 59.596 58.200 0.120 0.000 0.957 1496 S CB -0.689 62.584 63.200 0.122 0.000 0.773 1496 S HN 0.564 nan 8.310 nan 0.000 0.507 1497 S N 1.422 117.143 115.700 0.036 0.000 2.428 1497 S HA 0.030 4.504 4.470 0.008 0.000 0.230 1497 S C 1.838 176.435 174.600 -0.004 0.000 1.014 1497 S CA 0.806 59.013 58.200 0.013 0.000 0.957 1497 S CB -0.524 62.680 63.200 0.007 0.000 0.784 1497 S HN 0.662 nan 8.310 nan 0.000 0.499 1498 M N 1.435 121.034 119.600 -0.003 0.000 2.276 1498 M HA 0.365 4.850 4.480 0.008 0.000 0.262 1498 M C 0.433 176.699 176.300 -0.056 0.000 1.098 1498 M CA 1.253 56.538 55.300 -0.025 0.000 1.167 1498 M CB 0.151 32.739 32.600 -0.020 0.000 1.337 1498 M HN 0.414 nan 8.290 nan 0.000 0.446 1499 A N 0.537 123.321 122.820 -0.059 0.000 2.549 1499 A HA 0.710 5.035 4.320 0.008 0.000 0.297 1499 A C -1.089 176.409 177.584 -0.143 0.000 1.061 1499 A CA -0.869 51.051 52.037 -0.195 0.000 0.690 1499 A CB 1.393 20.130 19.000 -0.437 0.000 1.287 1499 A HN 0.488 nan 8.150 nan 0.000 0.402 1500 R N -0.098 120.278 120.500 -0.207 0.000 2.758 1500 R HA 0.750 5.094 4.340 0.008 0.000 0.265 1500 R C -1.570 174.546 176.300 -0.307 0.000 1.016 1500 R CA -0.389 55.669 56.100 -0.070 0.000 1.040 1500 R CB 1.364 31.657 30.300 -0.012 0.000 1.152 1500 R HN 0.593 nan 8.270 nan 0.000 0.503 1501 F N 0.370 120.300 119.950 -0.032 0.000 2.520 1501 F HA 0.238 4.769 4.527 0.006 0.000 0.322 1501 F C 0.591 176.352 175.800 -0.065 0.000 1.103 1501 F CA -1.034 56.940 58.000 -0.043 0.000 0.926 1501 F CB 1.372 40.336 39.000 -0.060 0.000 1.154 1501 F HN 0.387 nan 8.300 nan 0.000 0.453 1502 N N 4.263 122.998 118.700 0.059 0.000 2.292 1502 N HA -0.054 4.691 4.740 0.008 0.000 0.258 1502 N C -1.824 173.780 175.510 0.157 0.000 1.261 1502 N CA -0.933 52.162 53.050 0.075 0.000 0.845 1502 N CB 1.018 39.514 38.487 0.015 0.000 1.064 1502 N HN 0.226 nan 8.380 nan 0.000 0.471 1503 P HA -0.096 nan 4.420 nan 0.000 0.219 1503 P C 0.370 177.716 177.300 0.076 0.000 1.146 1503 P CA 1.092 64.217 63.100 0.041 0.000 0.808 1503 P CB 0.264 31.981 31.700 0.028 0.000 0.779 1504 D N -2.234 118.257 120.400 0.152 0.000 2.310 1504 D HA -0.112 4.533 4.640 0.008 0.000 0.212 1504 D C 1.097 177.458 176.300 0.103 0.000 0.965 1504 D CA 1.005 55.078 54.000 0.121 0.000 0.879 1504 D CB -0.359 40.527 40.800 0.143 0.000 0.921 1504 D HN 0.291 nan 8.370 nan 0.000 0.510 1505 Y N -0.384 119.949 120.300 0.055 0.000 2.457 1505 Y HA 0.261 4.816 4.550 0.007 0.000 0.263 1505 Y C 1.093 177.001 175.900 0.013 0.000 1.164 1505 Y CA 0.022 58.185 58.100 0.106 0.000 1.274 1505 Y CB 0.017 38.629 38.460 0.253 0.000 1.097 1505 Y HN -0.160 nan 8.280 nan 0.000 0.523 1506 M N 1.193 120.780 119.600 -0.022 0.000 3.422 1506 M HA 0.147 4.631 4.480 0.008 0.000 0.248 1506 M C 0.084 176.368 176.300 -0.026 0.000 1.433 1506 M CA 0.498 55.583 55.300 -0.358 0.000 1.592 1506 M CB -0.078 32.123 32.600 -0.666 0.000 1.078 1506 M HN 0.235 nan 8.290 nan 0.000 0.578 1507 L N 0.672 121.969 121.223 0.122 0.000 2.766 1507 L HA 0.238 4.582 4.340 0.008 0.000 0.242 1507 L C -0.134 176.781 176.870 0.076 0.000 1.136 1507 L CA -0.253 54.662 54.840 0.125 0.000 0.933 1507 L CB 0.331 42.518 42.059 0.214 0.000 1.241 1507 L HN 0.429 nan 8.230 nan 0.000 0.522 1508 L N 1.171 122.450 121.223 0.094 0.000 2.433 1508 L HA 0.035 4.379 4.340 0.008 0.000 0.284 1508 L C 1.120 177.937 176.870 -0.088 0.000 1.120 1508 L CA 0.614 55.396 54.840 -0.097 0.000 0.879 1508 L CB 0.470 42.348 42.059 -0.301 0.000 1.232 1508 L HN -0.036 nan 8.230 nan 0.000 0.454 1509 D N 2.597 122.919 120.400 -0.129 0.000 2.120 1509 D HA -0.083 4.561 4.640 0.008 0.000 0.202 1509 D C -0.158 176.164 176.300 0.036 0.000 0.972 1509 D CA 1.277 55.260 54.000 -0.028 0.000 0.837 1509 D CB 0.342 41.142 40.800 -0.000 0.000 0.989 1509 D HN 0.416 nan 8.370 nan 0.000 0.469 1510 Y N -2.049 118.207 120.300 -0.074 0.000 2.609 1510 Y HA 0.614 5.168 4.550 0.007 0.000 0.336 1510 Y C -1.671 174.156 175.900 -0.121 0.000 1.129 1510 Y CA -1.546 56.504 58.100 -0.082 0.000 1.040 1510 Y CB 1.106 39.543 38.460 -0.037 0.000 1.310 1510 Y HN -0.144 nan 8.280 nan 0.000 0.460 1511 L N 2.755 123.982 121.223 0.006 0.000 2.505 1511 L HA 0.746 5.091 4.340 0.008 0.000 0.266 1511 L C -1.904 175.007 176.870 0.068 0.000 0.954 1511 L CA -0.862 53.933 54.840 -0.075 0.000 0.852 1511 L CB 2.022 43.883 42.059 -0.330 0.000 1.282 1511 L HN 0.732 nan 8.230 nan 0.000 0.403 1512 V N 5.328 125.273 119.914 0.051 0.000 2.394 1512 V HA 0.453 4.577 4.120 0.008 0.000 0.282 1512 V C -0.450 175.645 176.094 0.000 0.000 1.031 1512 V CA -0.471 61.828 62.300 -0.001 0.000 0.881 1512 V CB 1.565 33.323 31.823 -0.108 0.000 0.982 1512 V HN 0.538 nan 8.190 nan 0.000 0.451 1513 L N 5.276 126.533 121.223 0.057 0.000 2.349 1513 L HA 0.603 4.947 4.340 0.008 0.000 0.278 1513 L C -0.328 176.477 176.870 -0.108 0.000 0.996 1513 L CA -0.271 54.581 54.840 0.020 0.000 0.825 1513 L CB 1.690 43.869 42.059 0.200 0.000 1.243 1513 L HN 0.653 nan 8.230 nan 0.000 0.412 1514 N N 3.298 121.784 118.700 -0.357 0.000 2.558 1514 N HA 0.176 4.921 4.740 0.008 0.000 0.233 1514 N C 0.515 175.928 175.510 -0.163 0.000 1.038 1514 N CA 0.037 52.778 53.050 -0.515 0.000 0.934 1514 N CB 0.622 38.543 38.487 -0.944 0.000 1.175 1514 N HN 0.736 nan 8.380 nan 0.000 0.512 1515 E N 2.120 122.312 120.200 -0.014 0.000 2.153 1515 E HA -0.166 4.189 4.350 0.008 0.000 0.194 1515 E C 1.453 178.044 176.600 -0.015 0.000 0.988 1515 E CA 1.190 57.588 56.400 -0.004 0.000 0.811 1515 E CB 0.019 29.745 29.700 0.044 0.000 0.746 1515 E HN 0.762 nan 8.360 nan 0.000 0.466 1516 A N 1.356 124.187 122.820 0.018 0.000 1.978 1516 A HA -0.187 4.138 4.320 0.008 0.000 0.220 1516 A C 1.664 179.238 177.584 -0.017 0.000 1.170 1516 A CA 1.338 53.387 52.037 0.020 0.000 0.636 1516 A CB 0.002 19.042 19.000 0.066 0.000 0.810 1516 A HN 0.058 nan 8.150 nan 0.000 0.448 1517 E N -0.431 119.737 120.200 -0.053 0.000 2.693 1517 E HA 0.074 4.428 4.350 0.008 0.000 0.214 1517 E C -0.650 175.877 176.600 -0.122 0.000 0.990 1517 E CA -0.354 56.001 56.400 -0.076 0.000 1.047 1517 E CB -0.031 29.630 29.700 -0.066 0.000 1.039 1517 E HN 0.537 nan 8.360 nan 0.000 0.475 1518 N N 2.295 120.917 118.700 -0.129 0.000 2.714 1518 N HA -0.229 4.516 4.740 0.008 0.000 0.252 1518 N C -0.250 175.142 175.510 -0.196 0.000 1.014 1518 N CA 1.014 53.965 53.050 -0.164 0.000 0.735 1518 N CB -1.046 37.324 38.487 -0.195 0.000 0.924 1518 N HN 0.459 nan 8.380 nan 0.000 0.540 1519 E N -0.246 119.834 120.200 -0.200 0.000 2.199 1519 E HA 0.671 5.025 4.350 0.008 0.000 0.265 1519 E C -1.124 175.334 176.600 -0.236 0.000 0.882 1519 E CA -0.710 55.537 56.400 -0.256 0.000 0.759 1519 E CB 1.348 30.925 29.700 -0.205 0.000 1.148 1519 E HN 0.318 nan 8.360 nan 0.000 0.412 1520 A N 2.869 125.524 122.820 -0.275 0.000 2.435 1520 A HA 0.831 5.156 4.320 0.008 0.000 0.304 1520 A C -1.357 176.168 177.584 -0.098 0.000 1.064 1520 A CA -0.377 51.566 52.037 -0.157 0.000 0.727 1520 A CB 1.854 20.785 19.000 -0.115 0.000 1.284 1520 A HN 0.600 nan 8.150 nan 0.000 0.415 1521 A N 0.810 123.631 122.820 0.000 0.000 2.330 1521 A HA 0.829 5.153 4.320 0.008 0.000 0.313 1521 A C -0.245 177.343 177.584 0.007 0.000 1.124 1521 A CA -0.148 51.945 52.037 0.093 0.000 0.774 1521 A CB 1.202 20.281 19.000 0.132 0.000 1.198 1521 A HN 1.750 nan 8.150 nan 0.000 0.465 1522 S N 1.392 117.044 115.700 -0.081 0.000 2.541 1522 S HA 0.731 5.206 4.470 0.008 0.000 0.280 1522 S C -0.051 174.222 174.600 -0.545 0.000 1.112 1522 S CA 0.099 58.082 58.200 -0.363 0.000 0.925 1522 S CB 1.476 64.491 63.200 -0.308 0.000 1.067 1522 S HN 1.598 nan 8.310 nan 0.000 0.479 1523 G N 2.044 110.056 108.800 -1.314 0.000 2.319 1523 G HA2 0.546 4.511 3.960 0.008 0.000 0.308 1523 G HA3 0.546 4.511 3.960 0.008 0.000 0.308 1523 G C -0.307 174.289 174.900 -0.508 0.000 1.117 1523 G CA -0.416 44.175 45.100 -0.849 0.000 0.903 1523 G HN 1.286 nan 8.290 nan 0.000 0.436 1524 V N 0.700 120.429 119.914 -0.308 0.000 2.417 1524 V HA 0.640 4.764 4.120 0.008 0.000 0.291 1524 V C -1.085 174.804 176.094 -0.341 0.000 1.024 1524 V CA -1.167 60.978 62.300 -0.258 0.000 0.861 1524 V CB 1.939 33.654 31.823 -0.180 0.000 0.985 1524 V HN 0.510 nan 8.190 nan 0.000 0.436 1525 D N 4.255 124.520 120.400 -0.226 0.000 2.454 1525 D HA 0.395 5.040 4.640 0.008 0.000 0.247 1525 D C 0.379 176.639 176.300 -0.067 0.000 1.129 1525 D CA -0.605 53.273 54.000 -0.202 0.000 0.877 1525 D CB 1.162 41.906 40.800 -0.093 0.000 1.082 1525 D HN 0.428 nan 8.370 nan 0.000 0.537 1526 F N 1.391 121.289 119.950 -0.086 0.000 2.451 1526 F HA -0.101 4.430 4.527 0.007 0.000 0.299 1526 F C 2.635 178.383 175.800 -0.085 0.000 1.101 1526 F CA 0.594 58.484 58.000 -0.184 0.000 1.436 1526 F CB -0.979 37.719 39.000 -0.504 0.000 1.074 1526 F HN 0.371 nan 8.300 nan 0.000 0.553 1527 S N -0.062 115.696 115.700 0.096 0.000 2.474 1527 S HA -0.111 4.363 4.470 0.008 0.000 0.235 1527 S C 1.751 176.382 174.600 0.052 0.000 0.997 1527 S CA 0.646 58.883 58.200 0.061 0.000 0.949 1527 S CB -0.840 62.375 63.200 0.025 0.000 0.766 1527 S HN 0.472 nan 8.310 nan 0.000 0.517 1528 L N 0.891 122.147 121.223 0.055 0.000 2.552 1528 L HA 0.297 4.642 4.340 0.008 0.000 0.227 1528 L C 1.400 178.295 176.870 0.041 0.000 1.146 1528 L CA 0.231 55.097 54.840 0.043 0.000 0.858 1528 L CB -0.668 41.415 42.059 0.041 0.000 0.969 1528 L HN 0.496 nan 8.230 nan 0.000 0.451 1529 G N -1.312 107.517 108.800 0.049 0.000 2.816 1529 G HA2 0.435 4.400 3.960 0.008 0.000 0.288 1529 G HA3 0.435 4.400 3.960 0.008 0.000 0.288 1529 G C -1.394 173.517 174.900 0.017 0.000 1.334 1529 G CA -0.300 44.817 45.100 0.027 0.000 0.978 1529 G HN -0.129 nan 8.290 nan 0.000 0.493 1530 S N -1.128 114.577 115.700 0.008 0.000 2.475 1530 S HA 0.578 5.052 4.470 0.008 0.000 0.298 1530 S C 0.291 174.870 174.600 -0.036 0.000 1.119 1530 S CA -0.014 58.193 58.200 0.012 0.000 1.085 1530 S CB 1.134 64.360 63.200 0.042 0.000 1.028 1530 S HN 1.283 nan 8.310 nan 0.000 0.489 1531 S N 3.021 118.693 115.700 -0.046 0.000 2.526 1531 S HA 0.335 4.810 4.470 0.008 0.000 0.220 1531 S C -0.763 173.950 174.600 0.188 0.000 1.159 1531 S CA -0.826 57.284 58.200 -0.151 0.000 1.196 1531 S CB 0.155 62.938 63.200 -0.696 0.000 1.225 1531 S HN 0.658 nan 8.310 nan 0.000 0.432 1532 E N 1.603 121.938 120.200 0.224 0.000 2.338 1532 E HA 0.662 5.016 4.350 0.008 0.000 0.272 1532 E C 0.729 177.534 176.600 0.342 0.000 1.029 1532 E CA 0.654 57.193 56.400 0.232 0.000 0.872 1532 E CB 1.278 31.059 29.700 0.136 0.000 1.015 1532 E HN 0.812 nan 8.360 nan 0.000 0.417 1533 G N 1.448 110.375 108.800 0.212 0.000 2.325 1533 G HA2 0.075 4.039 3.960 0.008 0.000 0.285 1533 G HA3 0.075 4.039 3.960 0.008 0.000 0.285 1533 G C -0.972 173.684 174.900 -0.406 0.000 1.303 1533 G CA -0.292 44.722 45.100 -0.143 0.000 0.970 1533 G HN 0.597 nan 8.290 nan 0.000 0.490 1534 T N -1.735 112.266 114.554 -0.921 0.000 2.841 1534 T HA 0.839 5.194 4.350 0.008 0.000 0.283 1534 T C -0.873 173.157 174.700 -1.117 0.000 1.000 1534 T CA -0.636 61.058 62.100 -0.677 0.000 0.977 1534 T CB 1.711 70.388 68.868 -0.318 0.000 0.979 1534 T HN 1.049 nan 8.240 nan 0.000 0.446 1535 F N -0.366 119.542 119.950 -0.069 0.000 2.662 1535 F HA 0.720 5.251 4.527 0.008 0.000 0.312 1535 F C 1.160 176.919 175.800 -0.067 0.000 1.113 1535 F CA -1.443 56.488 58.000 -0.114 0.000 0.951 1535 F CB 1.133 40.017 39.000 -0.192 0.000 1.344 1535 F HN 0.700 nan 8.300 nan 0.000 0.462 1536 A N 0.877 123.771 122.820 0.123 0.000 1.898 1536 A HA 0.594 4.918 4.320 0.008 0.000 0.214 1536 A C 0.682 178.309 177.584 0.072 0.000 1.183 1536 A CA 1.222 53.307 52.037 0.080 0.000 0.622 1536 A CB -0.338 18.697 19.000 0.058 0.000 0.824 1536 A HN 1.024 nan 8.150 nan 0.000 0.444 1537 A N -0.760 122.094 122.820 0.057 0.000 2.476 1537 A HA 0.494 4.818 4.320 0.008 0.000 0.280 1537 A C -0.620 176.876 177.584 -0.148 0.000 1.081 1537 A CA -0.505 51.531 52.037 -0.001 0.000 0.753 1537 A CB 0.187 19.216 19.000 0.048 0.000 1.248 1537 A HN 0.391 nan 8.150 nan 0.000 0.424 1538 H N 4.314 123.114 119.070 -0.450 0.000 3.070 1538 H HA 0.059 4.619 4.556 0.007 0.000 0.313 1538 H C -1.745 173.140 175.328 -0.739 0.000 0.997 1538 H CA -0.548 54.893 56.048 -1.011 0.000 1.438 1538 H CB 1.160 29.977 29.762 -1.575 0.000 1.455 1538 H HN 0.310 nan 8.280 nan 0.000 0.575 1539 P HA -0.138 nan 4.420 nan 0.000 0.218 1539 P C 1.081 178.180 177.300 -0.336 0.000 1.148 1539 P CA 1.903 64.792 63.100 -0.351 0.000 0.822 1539 P CB 0.127 31.693 31.700 -0.222 0.000 0.784 1540 A N -0.831 121.700 122.820 -0.481 0.000 1.898 1540 A HA -0.218 4.106 4.320 0.008 0.000 0.216 1540 A C 1.992 179.316 177.584 -0.432 0.000 1.181 1540 A CA 1.492 52.946 52.037 -0.971 0.000 0.620 1540 A CB -1.557 16.874 19.000 -0.948 0.000 0.819 1540 A HN 0.182 nan 8.150 nan 0.000 0.442 1541 H N -0.551 118.182 119.070 -0.561 0.000 2.326 1541 H HA -0.044 4.517 4.556 0.007 0.000 0.301 1541 H C 2.232 177.368 175.328 -0.319 0.000 1.081 1541 H CA 1.611 57.163 56.048 -0.828 0.000 1.334 1541 H CB -0.784 28.220 29.762 -1.265 0.000 1.385 1541 H HN 0.250 nan 8.280 nan 0.000 0.504 1542 V N 0.751 120.616 119.914 -0.081 0.000 2.453 1542 V HA -0.176 3.948 4.120 0.008 0.000 0.247 1542 V C 2.173 178.266 176.094 -0.003 0.000 1.048 1542 V CA 1.876 64.173 62.300 -0.004 0.000 1.049 1542 V CB -0.420 31.396 31.823 -0.013 0.000 0.672 1542 V HN 0.347 nan 8.190 nan 0.000 0.457 1543 D N 0.512 120.926 120.400 0.023 0.000 2.123 1543 D HA -0.179 4.465 4.640 0.008 0.000 0.196 1543 D C 2.128 178.520 176.300 0.153 0.000 0.992 1543 D CA 1.526 55.613 54.000 0.145 0.000 0.833 1543 D CB -0.120 40.909 40.800 0.381 0.000 0.954 1543 D HN 0.371 nan 8.370 nan 0.000 0.455 1544 A N 0.072 122.971 122.820 0.132 0.000 1.940 1544 A HA -0.157 4.167 4.320 0.008 0.000 0.219 1544 A C 2.355 179.986 177.584 0.078 0.000 1.176 1544 A CA 1.316 53.437 52.037 0.141 0.000 0.631 1544 A CB -0.839 18.290 19.000 0.216 0.000 0.814 1544 A HN 0.400 nan 8.150 nan 0.000 0.446 1545 I N 0.242 120.864 120.570 0.087 0.000 2.163 1545 I HA -0.276 3.898 4.170 0.008 0.000 0.243 1545 I C 2.872 178.930 176.117 -0.099 0.000 1.085 1545 I CA 1.981 63.301 61.300 0.035 0.000 1.347 1545 I CB -0.672 37.410 38.000 0.136 0.000 1.044 1545 I HN 0.559 nan 8.210 nan 0.000 0.408 1546 T N -1.911 112.529 114.554 -0.190 0.000 2.951 1546 T HA -0.172 4.183 4.350 0.008 0.000 0.268 1546 T C 1.763 176.393 174.700 -0.116 0.000 1.073 1546 T CA 0.884 62.797 62.100 -0.310 0.000 1.134 1546 T CB -0.371 68.260 68.868 -0.394 0.000 0.884 1546 T HN 0.386 nan 8.240 nan 0.000 0.479 1547 Q N 0.530 120.322 119.800 -0.014 0.000 2.181 1547 Q HA -0.078 4.267 4.340 0.008 0.000 0.205 1547 Q C 2.509 178.481 176.000 -0.047 0.000 0.980 1547 Q CA 1.538 57.347 55.803 0.010 0.000 0.862 1547 Q CB -0.522 28.213 28.738 -0.005 0.000 0.905 1547 Q HN 0.483 nan 8.270 nan 0.000 0.429 1548 V N 0.693 120.551 119.914 -0.094 0.000 2.287 1548 V HA -0.315 3.809 4.120 0.008 0.000 0.248 1548 V C 2.227 178.271 176.094 -0.082 0.000 1.053 1548 V CA 1.949 64.183 62.300 -0.111 0.000 1.027 1548 V CB -0.966 30.776 31.823 -0.136 0.000 0.646 1548 V HN 0.425 nan 8.190 nan 0.000 0.447 1549 A N 0.355 123.100 122.820 -0.125 0.000 1.898 1549 A HA -0.028 4.296 4.320 0.008 0.000 0.216 1549 A C 2.415 179.936 177.584 -0.104 0.000 1.181 1549 A CA 1.786 53.735 52.037 -0.146 0.000 0.620 1549 A CB -1.163 17.724 19.000 -0.189 0.000 0.819 1549 A HN 0.523 nan 8.150 nan 0.000 0.442 1550 G N -1.324 107.445 108.800 -0.052 0.000 2.418 1550 G HA2 -0.221 3.743 3.960 0.008 0.000 0.217 1550 G HA3 -0.221 3.743 3.960 0.008 0.000 0.217 1550 G C 1.474 176.366 174.900 -0.013 0.000 1.158 1550 G CA 1.093 46.188 45.100 -0.007 0.000 0.771 1550 G HN 0.457 nan 8.290 nan 0.000 0.545 1551 F N 2.315 122.180 119.950 -0.142 0.000 2.134 1551 F HA 0.018 4.549 4.527 0.008 0.000 0.299 1551 F C 2.862 178.556 175.800 -0.177 0.000 1.097 1551 F CA 1.425 59.313 58.000 -0.185 0.000 1.264 1551 F CB -0.155 38.689 39.000 -0.261 0.000 1.001 1551 F HN 0.231 nan 8.300 nan 0.000 0.479 1552 A N 0.267 123.088 122.820 0.001 0.000 1.917 1552 A HA -0.231 4.093 4.320 0.008 0.000 0.219 1552 A C 2.172 179.630 177.584 -0.210 0.000 1.182 1552 A CA 2.035 54.017 52.037 -0.091 0.000 0.633 1552 A CB -0.603 18.324 19.000 -0.122 0.000 0.819 1552 A HN 0.407 nan 8.150 nan 0.000 0.448 1553 M N -0.476 118.974 119.600 -0.250 0.000 2.081 1553 M HA -0.070 4.414 4.480 0.008 0.000 0.261 1553 M C 1.700 177.864 176.300 -0.228 0.000 1.075 1553 M CA 1.623 56.714 55.300 -0.348 0.000 1.133 1553 M CB -1.984 30.265 32.600 -0.585 0.000 1.330 1553 M HN 0.525 nan 8.290 nan 0.000 0.414 1554 N N 0.333 118.921 118.700 -0.187 0.000 2.396 1554 N HA 0.009 4.753 4.740 0.008 0.000 0.180 1554 N C 1.359 176.677 175.510 -0.321 0.000 1.028 1554 N CA 0.885 53.843 53.050 -0.153 0.000 0.893 1554 N CB -0.029 38.385 38.487 -0.122 0.000 0.967 1554 N HN 0.344 nan 8.380 nan 0.000 0.440 1555 A N 0.246 122.725 122.820 -0.569 0.000 2.251 1555 A HA 0.009 4.333 4.320 0.008 0.000 0.209 1555 A C 0.709 178.117 177.584 -0.292 0.000 1.187 1555 A CA -0.225 51.410 52.037 -0.670 0.000 0.823 1555 A CB -0.142 18.033 19.000 -1.375 0.000 0.846 1555 A HN 0.221 nan 8.150 nan 0.000 0.486 1556 N N 0.736 119.317 118.700 -0.197 0.000 2.454 1556 N HA -0.074 4.670 4.740 0.008 0.000 0.260 1556 N C 0.347 175.827 175.510 -0.050 0.000 1.218 1556 N CA 0.448 53.444 53.050 -0.089 0.000 0.904 1556 N CB 0.771 39.213 38.487 -0.075 0.000 1.065 1556 N HN 0.299 nan 8.380 nan 0.000 0.462 1557 D N 3.036 123.430 120.400 -0.010 0.000 2.182 1557 D HA -0.133 4.511 4.640 0.008 0.000 0.201 1557 D C 0.670 176.972 176.300 0.003 0.000 0.986 1557 D CA 1.584 55.588 54.000 0.007 0.000 0.847 1557 D CB 0.122 40.939 40.800 0.028 0.000 0.942 1557 D HN 0.657 nan 8.370 nan 0.000 0.467 1558 N N -1.084 117.618 118.700 0.003 0.000 2.398 1558 N HA 0.074 4.818 4.740 0.008 0.000 0.188 1558 N C -0.770 174.748 175.510 0.014 0.000 1.122 1558 N CA -0.185 52.870 53.050 0.009 0.000 0.866 1558 N CB 1.035 39.530 38.487 0.014 0.000 0.970 1558 N HN -0.025 nan 8.380 nan 0.000 0.462 1559 V N 1.373 121.293 119.914 0.010 0.000 2.385 1559 V HA 0.077 4.202 4.120 0.008 0.000 0.269 1559 V C -0.252 175.840 176.094 -0.004 0.000 1.043 1559 V CA -0.653 61.662 62.300 0.025 0.000 0.906 1559 V CB 1.125 32.986 31.823 0.062 0.000 0.995 1559 V HN 0.112 nan 8.190 nan 0.000 0.467 1560 D N 4.892 125.287 120.400 -0.008 0.000 2.411 1560 D HA 0.184 4.829 4.640 0.008 0.000 0.225 1560 D C 1.150 177.433 176.300 -0.028 0.000 1.156 1560 D CA -0.477 53.512 54.000 -0.018 0.000 0.874 1560 D CB 0.999 41.790 40.800 -0.016 0.000 1.034 1560 D HN 0.589 nan 8.370 nan 0.000 0.502 1561 I N 0.399 120.950 120.570 -0.031 0.000 3.334 1561 I HA 0.006 4.180 4.170 0.008 0.000 0.282 1561 I C 0.907 177.004 176.117 -0.034 0.000 1.313 1561 I CA 0.380 61.657 61.300 -0.037 0.000 1.396 1561 I CB 0.133 38.109 38.000 -0.041 0.000 1.054 1561 I HN 0.067 nan 8.210 nan 0.000 0.495 1562 E N 2.075 122.259 120.200 -0.028 0.000 2.358 1562 E HA -0.060 4.295 4.350 0.008 0.000 0.195 1562 E C 1.472 178.054 176.600 -0.031 0.000 1.010 1562 E CA 0.813 57.198 56.400 -0.025 0.000 0.856 1562 E CB 0.108 29.798 29.700 -0.017 0.000 0.795 1562 E HN 0.686 nan 8.360 nan 0.000 0.504 1563 K N -0.109 120.269 120.400 -0.037 0.000 2.362 1563 K HA 0.079 4.403 4.320 0.008 0.000 0.203 1563 K C 0.686 177.248 176.600 -0.063 0.000 1.198 1563 K CA 0.151 56.412 56.287 -0.043 0.000 0.908 1563 K CB 0.637 33.115 32.500 -0.037 0.000 1.236 1563 K HN 0.016 nan 8.250 nan 0.000 0.487 1564 Q N 1.030 120.784 119.800 -0.078 0.000 2.347 1564 Q HA 0.530 4.875 4.340 0.008 0.000 0.271 1564 Q C -0.924 174.988 176.000 -0.147 0.000 1.064 1564 Q CA -1.015 54.709 55.803 -0.132 0.000 0.800 1564 Q CB 2.321 30.963 28.738 -0.160 0.000 1.304 1564 Q HN -0.023 nan 8.270 nan 0.000 0.438 1565 V N -0.302 119.500 119.914 -0.188 0.000 2.876 1565 V HA 0.570 4.695 4.120 0.008 0.000 0.312 1565 V C -1.384 174.567 176.094 -0.238 0.000 1.085 1565 V CA -0.986 61.228 62.300 -0.143 0.000 0.945 1565 V CB 1.381 33.165 31.823 -0.065 0.000 1.017 1565 V HN 0.818 nan 8.190 nan 0.000 0.428 1566 Y N 3.240 123.516 120.300 -0.039 0.000 2.365 1566 Y HA 0.627 5.181 4.550 0.006 0.000 0.340 1566 Y C 0.614 176.509 175.900 -0.008 0.000 1.016 1566 Y CA -0.105 57.979 58.100 -0.026 0.000 1.196 1566 Y CB 1.692 40.128 38.460 -0.040 0.000 1.167 1566 Y HN 0.810 nan 8.280 nan 0.000 0.509 1567 V N 0.889 120.882 119.914 0.131 0.000 2.815 1567 V HA 0.550 4.675 4.120 0.008 0.000 0.314 1567 V C -0.436 175.744 176.094 0.144 0.000 1.064 1567 V CA -1.253 61.114 62.300 0.111 0.000 0.952 1567 V CB 1.962 33.826 31.823 0.068 0.000 1.020 1567 V HN 0.702 nan 8.190 nan 0.000 0.439 1568 N N 1.090 119.872 118.700 0.136 0.000 2.442 1568 N HA 0.200 4.944 4.740 0.008 0.000 0.265 1568 N C 0.235 175.832 175.510 0.144 0.000 1.138 1568 N CA 0.365 53.502 53.050 0.144 0.000 0.956 1568 N CB 0.569 39.141 38.487 0.140 0.000 1.067 1568 N HN 1.031 nan 8.380 nan 0.000 0.474 1569 H N 2.185 121.286 119.070 0.051 0.000 2.639 1569 H HA 0.385 4.945 4.556 0.007 0.000 0.267 1569 H C 0.791 176.093 175.328 -0.043 0.000 0.958 1569 H CA 0.815 56.871 56.048 0.012 0.000 1.221 1569 H CB 0.296 30.073 29.762 0.025 0.000 1.446 1569 H HN 0.749 nan 8.280 nan 0.000 0.512 1570 G N -1.077 107.753 108.800 0.051 0.000 2.260 1570 G HA2 0.153 4.117 3.960 0.008 0.000 0.250 1570 G HA3 0.153 4.117 3.960 0.008 0.000 0.250 1570 G C -1.796 173.190 174.900 0.144 0.000 1.340 1570 G CA -0.393 44.598 45.100 -0.182 0.000 1.056 1570 G HN 0.490 nan 8.290 nan 0.000 0.471 1571 W N -1.715 119.656 121.300 0.118 0.000 3.057 1571 W HA 0.732 5.397 4.660 0.007 0.000 0.328 1571 W C -0.323 176.295 176.519 0.163 0.000 1.232 1571 W CA -0.132 57.301 57.345 0.147 0.000 1.187 1571 W CB 0.206 29.798 29.460 0.219 0.000 1.417 1571 W HN 0.397 nan 8.180 nan 0.000 0.569 1572 D N 0.560 121.231 120.400 0.452 0.000 2.183 1572 D HA 0.070 4.714 4.640 0.008 0.000 0.205 1572 D C 0.191 176.742 176.300 0.418 0.000 0.962 1572 D CA 1.511 55.703 54.000 0.321 0.000 0.849 1572 D CB 0.641 41.589 40.800 0.246 0.000 0.978 1572 D HN 0.209 nan 8.370 nan 0.000 0.488 1573 S N -1.152 114.890 115.700 0.570 0.000 2.535 1573 S HA 0.530 5.004 4.470 0.008 0.000 0.272 1573 S C -2.050 172.784 174.600 0.390 0.000 1.149 1573 S CA -0.813 57.663 58.200 0.460 0.000 0.888 1573 S CB 0.794 64.184 63.200 0.317 0.000 1.110 1573 S HN 0.068 nan 8.310 nan 0.000 0.463 1574 F N 3.414 123.370 119.950 0.009 0.000 2.653 1574 F HA 0.542 5.074 4.527 0.008 0.000 0.327 1574 F C -1.028 174.577 175.800 -0.326 0.000 1.195 1574 F CA -0.323 57.383 58.000 -0.490 0.000 0.993 1574 F CB 1.369 39.814 39.000 -0.924 0.000 1.259 1574 F HN 0.617 nan 8.300 nan 0.000 0.478 1575 Q N 6.642 125.942 119.800 -0.833 0.000 2.375 1575 Q HA 0.618 4.962 4.340 0.008 0.000 0.271 1575 Q C -1.295 173.910 176.000 -1.325 0.000 1.074 1575 Q CA -0.983 54.269 55.803 -0.918 0.000 0.808 1575 Q CB 3.586 31.985 28.738 -0.565 0.000 1.327 1575 Q HN 0.634 nan 8.270 nan 0.000 0.441 1576 I N 1.945 121.833 120.570 -1.136 0.000 2.406 1576 I HA 0.232 4.407 4.170 0.008 0.000 0.290 1576 I C -0.534 175.198 176.117 -0.642 0.000 0.999 1576 I CA -0.383 60.405 61.300 -0.853 0.000 1.124 1576 I CB 1.110 38.769 38.000 -0.568 0.000 1.289 1576 I HN 0.766 nan 8.210 nan 0.000 0.441 1577 Y N 2.763 122.996 120.300 -0.111 0.000 2.498 1577 Y HA 0.269 4.824 4.550 0.007 0.000 0.259 1577 Y C 0.644 176.531 175.900 -0.021 0.000 1.086 1577 Y CA -0.322 57.745 58.100 -0.054 0.000 1.287 1577 Y CB 0.658 39.098 38.460 -0.034 0.000 1.146 1577 Y HN 0.442 nan 8.280 nan 0.000 0.523 1578 Q N 0.568 120.428 119.800 0.100 0.000 2.421 1578 Q HA 0.336 4.681 4.340 0.008 0.000 0.280 1578 Q C -2.857 173.183 176.000 0.066 0.000 1.085 1578 Q CA -2.236 53.627 55.803 0.100 0.000 0.807 1578 Q CB 1.824 30.648 28.738 0.144 0.000 1.405 1578 Q HN -0.082 nan 8.270 nan 0.000 0.419 1579 P HA 0.032 nan 4.420 nan 0.000 0.265 1579 P C -0.384 176.992 177.300 0.128 0.000 1.187 1579 P CA 0.242 63.402 63.100 0.100 0.000 0.766 1579 P CB 0.477 32.249 31.700 0.120 0.000 0.820 1580 L N 2.915 124.200 121.223 0.102 0.000 2.358 1580 L HA 0.183 4.528 4.340 0.008 0.000 0.274 1580 L C 0.949 177.977 176.870 0.263 0.000 1.136 1580 L CA -0.301 54.615 54.840 0.127 0.000 0.970 1580 L CB -0.270 41.812 42.059 0.038 0.000 1.314 1580 L HN 0.336 nan 8.230 nan 0.000 0.427 1581 D N 2.652 123.289 120.400 0.394 0.000 2.312 1581 D HA -0.036 4.609 4.640 0.008 0.000 0.252 1581 D C 1.054 177.556 176.300 0.338 0.000 1.150 1581 D CA -0.245 53.947 54.000 0.320 0.000 0.870 1581 D CB 1.132 42.099 40.800 0.279 0.000 1.153 1581 D HN 0.470 nan 8.370 nan 0.000 0.457 1582 N N 1.549 120.405 118.700 0.260 0.000 2.571 1582 N HA -0.156 4.589 4.740 0.008 0.000 0.189 1582 N C 0.831 176.438 175.510 0.162 0.000 1.154 1582 N CA 0.428 53.616 53.050 0.230 0.000 0.907 1582 N CB -0.109 38.521 38.487 0.238 0.000 0.977 1582 N HN 0.194 nan 8.380 nan 0.000 0.449 1583 S N -2.343 113.433 115.700 0.128 0.000 2.540 1583 S HA 0.255 4.730 4.470 0.008 0.000 0.218 1583 S C 0.406 175.009 174.600 0.005 0.000 0.977 1583 S CA -0.514 57.723 58.200 0.061 0.000 0.918 1583 S CB 0.348 63.575 63.200 0.045 0.000 0.806 1583 S HN 0.106 nan 8.310 nan 0.000 0.496 1584 K N 1.866 122.265 120.400 -0.001 0.000 2.221 1584 K HA 0.567 4.891 4.320 0.008 0.000 0.243 1584 K C -0.543 175.829 176.600 -0.380 0.000 0.968 1584 K CA -0.502 55.657 56.287 -0.212 0.000 0.846 1584 K CB 1.872 34.180 32.500 -0.320 0.000 1.141 1584 K HN 0.357 nan 8.250 nan 0.000 0.434 1585 S N 0.757 116.146 115.700 -0.518 0.000 2.593 1585 S HA 0.582 5.057 4.470 0.008 0.000 0.297 1585 S C -1.015 173.124 174.600 -0.768 0.000 1.112 1585 S CA -0.684 57.209 58.200 -0.512 0.000 1.043 1585 S CB 0.618 63.658 63.200 -0.267 0.000 1.054 1585 S HN 0.471 nan 8.310 nan 0.000 0.516 1586 Y N -0.365 119.720 120.300 -0.358 0.000 2.576 1586 Y HA 0.544 5.098 4.550 0.007 0.000 0.346 1586 Y C -0.516 175.286 175.900 -0.163 0.000 1.018 1586 Y CA -1.141 56.817 58.100 -0.237 0.000 1.050 1586 Y CB 1.779 40.071 38.460 -0.280 0.000 1.280 1586 Y HN 0.539 nan 8.280 nan 0.000 0.474 1587 Q N 1.032 120.885 119.800 0.088 0.000 2.271 1587 Q HA 0.660 5.005 4.340 0.008 0.000 0.258 1587 Q C -1.308 174.742 176.000 0.083 0.000 0.936 1587 Q CA -0.641 55.206 55.803 0.073 0.000 0.909 1587 Q CB 1.999 30.809 28.738 0.121 0.000 1.253 1587 Q HN 0.391 nan 8.270 nan 0.000 0.440 1588 V N 3.030 122.970 119.914 0.042 0.000 2.540 1588 V HA 0.501 4.626 4.120 0.008 0.000 0.302 1588 V C -1.454 174.691 176.094 0.085 0.000 1.035 1588 V CA -0.914 61.410 62.300 0.040 0.000 0.873 1588 V CB 1.204 33.011 31.823 -0.026 0.000 0.992 1588 V HN 0.738 nan 8.190 nan 0.000 0.428 1589 Y N 3.086 123.365 120.300 -0.035 0.000 2.442 1589 Y HA 0.745 5.300 4.550 0.008 0.000 0.344 1589 Y C -0.379 175.491 175.900 -0.050 0.000 0.976 1589 Y CA -0.285 57.801 58.100 -0.023 0.000 1.040 1589 Y CB 2.340 40.826 38.460 0.042 0.000 1.228 1589 Y HN 0.648 nan 8.280 nan 0.000 0.451 1590 T N 6.048 120.017 114.554 -0.974 0.000 2.956 1590 T HA 0.377 4.731 4.350 0.008 0.000 0.312 1590 T C -2.039 172.138 174.700 -0.873 0.000 1.151 1590 T CA -0.860 60.787 62.100 -0.755 0.000 1.024 1590 T CB 1.086 69.721 68.868 -0.388 0.000 1.140 1590 T HN 0.695 nan 8.240 nan 0.000 0.473 1591 K N 5.459 125.523 120.400 -0.561 0.000 2.572 1591 K HA 0.341 4.665 4.320 0.008 0.000 0.244 1591 K C 0.689 177.136 176.600 -0.254 0.000 0.965 1591 K CA -0.850 55.222 56.287 -0.357 0.000 0.943 1591 K CB 0.759 33.121 32.500 -0.229 0.000 1.154 1591 K HN 0.469 nan 8.250 nan 0.000 0.447 1592 M N 1.777 121.228 119.600 -0.249 0.000 2.191 1592 M HA 0.106 4.590 4.480 0.008 0.000 0.262 1592 M C 1.228 177.399 176.300 -0.215 0.000 1.083 1592 M CA 1.632 56.791 55.300 -0.235 0.000 1.154 1592 M CB -1.377 31.078 32.600 -0.242 0.000 1.344 1592 M HN 0.951 nan 8.290 nan 0.000 0.431 1593 G N 0.329 109.019 108.800 -0.183 0.000 2.598 1593 G HA2 -0.242 3.722 3.960 0.008 0.000 0.244 1593 G HA3 -0.242 3.722 3.960 0.008 0.000 0.244 1593 G C 0.268 175.089 174.900 -0.133 0.000 1.302 1593 G CA 0.320 45.337 45.100 -0.139 0.000 0.903 1593 G HN 0.373 nan 8.290 nan 0.000 0.575 1594 Q N -0.581 119.169 119.800 -0.082 0.000 2.514 1594 Q HA 0.499 4.843 4.340 0.008 0.000 0.208 1594 Q C 2.103 178.094 176.000 -0.015 0.000 0.938 1594 Q CA 1.270 57.044 55.803 -0.049 0.000 0.892 1594 Q CB -0.893 27.831 28.738 -0.023 0.000 1.050 1594 Q HN 2.060 nan 8.270 nan 0.000 0.595 1599 D N -0.357 120.030 120.400 -0.022 0.000 2.336 1599 D HA 0.228 4.873 4.640 0.008 0.000 0.228 1599 D C -0.100 176.203 176.300 0.004 0.000 1.120 1599 D CA 0.141 54.126 54.000 -0.025 0.000 0.839 1599 D CB -0.178 40.588 40.800 -0.058 0.000 0.932 1599 D HN 0.452 nan 8.370 nan 0.000 0.509 1600 L N 0.431 121.665 121.223 0.020 0.000 2.346 1600 L HA 0.593 4.937 4.340 0.008 0.000 0.274 1600 L C -0.132 176.797 176.870 0.100 0.000 1.007 1600 L CA -1.456 53.404 54.840 0.032 0.000 0.818 1600 L CB 2.277 44.301 42.059 -0.057 0.000 1.284 1600 L HN -0.122 nan 8.230 nan 0.000 0.424 1601 V N -1.429 118.555 119.914 0.116 0.000 2.914 1601 V HA 0.721 4.846 4.120 0.008 0.000 0.314 1601 V C -0.898 175.273 176.094 0.127 0.000 1.084 1601 V CA -0.419 61.930 62.300 0.081 0.000 0.963 1601 V CB 1.827 33.611 31.823 -0.064 0.000 1.025 1601 V HN 0.928 nan 8.190 nan 0.000 0.432 1602 H N 1.045 120.099 119.070 -0.027 0.000 2.985 1602 H HA 0.943 5.503 4.556 0.008 0.000 0.360 1602 H C -0.454 174.857 175.328 -0.028 0.000 1.221 1602 H CA -0.390 55.651 56.048 -0.011 0.000 1.121 1602 H CB 1.913 31.688 29.762 0.022 0.000 1.854 1602 H HN 1.408 nan 8.280 nan 0.000 0.551 1603 G N 0.737 109.447 108.800 -0.151 0.000 2.441 1603 G HA2 0.277 4.241 3.960 0.008 0.000 0.294 1603 G HA3 0.277 4.241 3.960 0.008 0.000 0.294 1603 G C -1.903 172.935 174.900 -0.102 0.000 1.393 1603 G CA -0.820 44.152 45.100 -0.213 0.000 0.796 1603 G HN 0.572 nan 8.290 nan 0.000 0.494 1604 D N -0.559 119.774 120.400 -0.111 0.000 2.217 1604 D HA 0.602 5.247 4.640 0.008 0.000 0.248 1604 D C -0.361 175.781 176.300 -0.264 0.000 1.008 1604 D CA -0.202 53.673 54.000 -0.209 0.000 0.914 1604 D CB 2.205 42.951 40.800 -0.090 0.000 1.182 1604 D HN 0.259 nan 8.370 nan 0.000 0.451 1605 V N 1.419 121.100 119.914 -0.389 0.000 2.525 1605 V HA 0.311 4.436 4.120 0.008 0.000 0.299 1605 V C -0.214 175.764 176.094 -0.193 0.000 1.034 1605 V CA -0.869 61.295 62.300 -0.227 0.000 0.863 1605 V CB 2.039 33.777 31.823 -0.141 0.000 0.999 1605 V HN 0.298 nan 8.190 nan 0.000 0.423 1606 V N 6.329 126.222 119.914 -0.035 0.000 2.630 1606 V HA 0.726 4.850 4.120 0.008 0.000 0.305 1606 V C -0.596 175.546 176.094 0.080 0.000 1.046 1606 V CA -0.224 62.140 62.300 0.106 0.000 0.934 1606 V CB 2.232 33.958 31.823 -0.160 0.000 1.003 1606 V HN 0.646 nan 8.190 nan 0.000 0.451 1607 V N 7.473 127.462 119.914 0.125 0.000 2.487 1607 V HA 0.542 4.666 4.120 0.008 0.000 0.298 1607 V C -0.259 175.915 176.094 0.133 0.000 1.028 1607 V CA -0.487 61.877 62.300 0.107 0.000 0.860 1607 V CB 1.439 33.307 31.823 0.075 0.000 0.991 1607 V HN 0.736 nan 8.190 nan 0.000 0.427 1608 L N 3.221 124.534 121.223 0.150 0.000 2.319 1608 L HA 0.707 5.051 4.340 0.008 0.000 0.267 1608 L C -0.802 176.197 176.870 0.216 0.000 1.011 1608 L CA -0.611 54.324 54.840 0.159 0.000 0.818 1608 L CB 2.171 44.303 42.059 0.121 0.000 1.316 1608 L HN 0.574 nan 8.230 nan 0.000 0.432 1609 D N 0.938 121.442 120.400 0.174 0.000 2.404 1609 D HA 0.481 5.125 4.640 0.008 0.000 0.267 1609 D C 0.525 176.846 176.300 0.035 0.000 1.194 1609 D CA 0.605 54.659 54.000 0.089 0.000 0.910 1609 D CB 0.869 41.752 40.800 0.139 0.000 1.090 1609 D HN 0.734 nan 8.370 nan 0.000 0.511 1610 G N 3.890 112.700 108.800 0.016 0.000 2.574 1610 G HA2 -0.350 3.615 3.960 0.008 0.000 0.301 1610 G HA3 -0.350 3.615 3.960 0.008 0.000 0.301 1610 G C 0.852 175.776 174.900 0.039 0.000 1.166 1610 G CA 0.395 45.505 45.100 0.016 0.000 0.971 1610 G HN 0.473 nan 8.290 nan 0.000 0.542 1611 E N 1.719 121.938 120.200 0.032 0.000 2.481 1611 E HA 0.074 4.428 4.350 0.008 0.000 0.195 1611 E C 1.067 177.695 176.600 0.047 0.000 1.047 1611 E CA 0.587 57.010 56.400 0.038 0.000 0.867 1611 E CB 0.094 29.808 29.700 0.022 0.000 0.858 1611 E HN 0.565 nan 8.360 nan 0.000 0.513 1612 Q N 0.745 120.579 119.800 0.056 0.000 2.243 1612 Q HA 0.266 4.611 4.340 0.008 0.000 0.252 1612 Q C 0.302 176.356 176.000 0.090 0.000 0.909 1612 Q CA -0.466 55.375 55.803 0.063 0.000 0.922 1612 Q CB 1.857 30.637 28.738 0.071 0.000 1.215 1612 Q HN 0.065 nan 8.270 nan 0.000 0.427 1613 I N 3.095 123.705 120.570 0.067 0.000 2.452 1613 I HA -0.031 4.143 4.170 0.008 0.000 0.287 1613 I C 1.169 177.403 176.117 0.196 0.000 1.079 1613 I CA 0.241 61.599 61.300 0.097 0.000 1.387 1613 I CB 0.880 38.871 38.000 -0.015 0.000 1.404 1613 I HN 0.427 nan 8.210 nan 0.000 0.522 1614 V N 6.185 126.238 119.914 0.232 0.000 2.788 1614 V HA 0.345 4.470 4.120 0.008 0.000 0.241 1614 V C 0.675 176.866 176.094 0.162 0.000 1.083 1614 V CA 0.883 63.303 62.300 0.200 0.000 1.103 1614 V CB 0.635 32.534 31.823 0.127 0.000 0.800 1614 V HN 0.882 nan 8.190 nan 0.000 0.476 1615 A N -0.860 122.061 122.820 0.169 0.000 2.601 1615 A HA 0.751 5.075 4.320 0.008 0.000 0.291 1615 A C -2.186 175.526 177.584 0.212 0.000 1.075 1615 A CA -0.310 51.716 52.037 -0.020 0.000 0.671 1615 A CB 1.768 20.701 19.000 -0.112 0.000 1.277 1615 A HN 0.090 nan 8.150 nan 0.000 0.417 1616 F N 0.150 120.037 119.950 -0.104 0.000 2.630 1616 F HA 0.683 5.215 4.527 0.008 0.000 0.325 1616 F C -1.928 173.868 175.800 -0.008 0.000 1.184 1616 F CA -0.995 57.028 58.000 0.038 0.000 1.011 1616 F CB 1.279 40.375 39.000 0.159 0.000 1.268 1616 F HN 0.463 nan 8.300 nan 0.000 0.480 1617 F N 5.341 125.074 119.950 -0.362 0.000 2.410 1617 F HA 0.534 5.066 4.527 0.008 0.000 0.349 1617 F C 0.343 175.766 175.800 -0.628 0.000 1.117 1617 F CA -0.396 57.385 58.000 -0.365 0.000 1.104 1617 F CB 1.264 40.005 39.000 -0.432 0.000 1.122 1617 F HN 0.329 nan 8.300 nan 0.000 0.483 1618 R N 1.641 122.136 120.500 -0.008 0.000 2.295 1618 R HA 0.485 4.830 4.340 0.008 0.000 0.324 1618 R C 0.461 176.894 176.300 0.223 0.000 0.968 1618 R CA -0.045 56.116 56.100 0.101 0.000 0.837 1618 R CB 1.115 31.636 30.300 0.368 0.000 1.133 1618 R HN 0.904 nan 8.270 nan 0.000 0.450 1619 G N 4.015 112.935 108.800 0.201 0.000 2.272 1619 G HA2 -0.276 3.688 3.960 0.008 0.000 0.280 1619 G HA3 -0.276 3.688 3.960 0.008 0.000 0.280 1619 G C -0.215 174.852 174.900 0.279 0.000 1.067 1619 G CA 0.161 45.434 45.100 0.288 0.000 0.902 1619 G HN 0.527 nan 8.290 nan 0.000 0.500 1620 L N 1.098 122.435 121.223 0.189 0.000 2.540 1620 L HA 0.532 4.877 4.340 0.008 0.000 0.276 1620 L C 0.543 177.503 176.870 0.149 0.000 1.212 1620 L CA 0.954 55.882 54.840 0.146 0.000 0.893 1620 L CB 0.636 42.625 42.059 -0.118 0.000 1.138 1620 L HN 0.198 nan 8.230 nan 0.000 0.491 1621 T N 6.391 121.056 114.554 0.185 0.000 2.812 1621 T HA 0.618 4.973 4.350 0.008 0.000 0.282 1621 T C -0.878 173.914 174.700 0.154 0.000 0.990 1621 T CA -0.438 61.762 62.100 0.165 0.000 0.960 1621 T CB 1.086 70.055 68.868 0.167 0.000 0.948 1621 T HN 0.260 nan 8.240 nan 0.000 0.438 1622 L N 2.813 124.109 121.223 0.121 0.000 2.346 1622 L HA 0.613 4.957 4.340 0.008 0.000 0.276 1622 L C 0.173 177.157 176.870 0.189 0.000 1.006 1622 L CA -0.750 54.189 54.840 0.164 0.000 0.817 1622 L CB 1.662 43.805 42.059 0.140 0.000 1.272 1622 L HN 0.502 nan 8.230 nan 0.000 0.421 1623 R N 0.843 121.444 120.500 0.168 0.000 2.445 1623 R HA 0.498 4.843 4.340 0.008 0.000 0.308 1623 R C -0.416 175.865 176.300 -0.032 0.000 0.961 1623 R CA -0.313 55.822 56.100 0.058 0.000 0.862 1623 R CB 1.468 31.781 30.300 0.022 0.000 1.144 1623 R HN 0.675 nan 8.270 nan 0.000 0.447 1624 S N 3.838 119.413 115.700 -0.207 0.000 2.465 1624 S HA 0.231 4.706 4.470 0.008 0.000 0.280 1624 S C -0.217 174.215 174.600 -0.280 0.000 1.232 1624 S CA -0.606 57.258 58.200 -0.562 0.000 1.066 1624 S CB 0.066 62.931 63.200 -0.559 0.000 0.929 1624 S HN 0.410 nan 8.310 nan 0.000 0.494 1625 V N 3.807 123.573 119.914 -0.246 0.000 2.769 1625 V HA 0.766 4.890 4.120 0.008 0.000 0.312 1625 V C -2.923 173.094 176.094 -0.130 0.000 1.061 1625 V CA -2.945 59.273 62.300 -0.138 0.000 0.931 1625 V CB 1.309 33.087 31.823 -0.074 0.000 1.010 1625 V HN 0.586 nan 8.190 nan 0.000 0.433 1626 P HA 0.276 nan 4.420 nan 0.000 0.267 1626 P C 0.301 177.562 177.300 -0.066 0.000 1.205 1626 P CA -0.104 62.950 63.100 -0.077 0.000 0.765 1626 P CB 0.809 32.475 31.700 -0.057 0.000 0.828 1627 R N 4.131 124.593 120.500 -0.064 0.000 2.091 1627 R HA -0.118 4.226 4.340 0.008 0.000 0.238 1627 R C 2.159 178.435 176.300 -0.041 0.000 1.136 1627 R CA 2.500 58.569 56.100 -0.052 0.000 0.959 1627 R CB -1.408 28.864 30.300 -0.047 0.000 0.856 1627 R HN 0.630 nan 8.270 nan 0.000 0.437 1628 G N -0.725 108.053 108.800 -0.037 0.000 2.394 1628 G HA2 -0.139 3.826 3.960 0.008 0.000 0.214 1628 G HA3 -0.139 3.826 3.960 0.008 0.000 0.214 1628 G C 1.544 176.427 174.900 -0.028 0.000 1.176 1628 G CA 0.617 45.699 45.100 -0.030 0.000 0.786 1628 G HN 0.472 nan 8.290 nan 0.000 0.533 1629 A N 0.695 123.497 122.820 -0.030 0.000 1.972 1629 A HA 0.064 4.388 4.320 0.008 0.000 0.219 1629 A C 2.361 179.929 177.584 -0.027 0.000 1.169 1629 A CA 1.494 53.515 52.037 -0.027 0.000 0.635 1629 A CB -0.400 18.583 19.000 -0.029 0.000 0.810 1629 A HN 0.547 nan 8.150 nan 0.000 0.446 1630 L N -0.728 120.476 121.223 -0.032 0.000 2.042 1630 L HA -0.203 4.142 4.340 0.008 0.000 0.210 1630 L C 2.517 179.372 176.870 -0.026 0.000 1.076 1630 L CA 2.282 57.104 54.840 -0.029 0.000 0.749 1630 L CB -0.372 41.666 42.059 -0.035 0.000 0.893 1630 L HN 0.437 nan 8.230 nan 0.000 0.432 1631 R N -0.326 120.158 120.500 -0.027 0.000 2.080 1631 R HA -0.164 4.180 4.340 0.008 0.000 0.236 1631 R C 2.162 178.450 176.300 -0.020 0.000 1.137 1631 R CA 2.285 58.371 56.100 -0.025 0.000 0.943 1631 R CB -0.478 29.807 30.300 -0.024 0.000 0.846 1631 R HN 0.382 nan 8.270 nan 0.000 0.431 1632 V N 0.293 120.195 119.914 -0.019 0.000 2.231 1632 V HA -0.286 3.839 4.120 0.008 0.000 0.248 1632 V C 2.403 178.488 176.094 -0.014 0.000 1.054 1632 V CA 2.041 64.332 62.300 -0.016 0.000 1.015 1632 V CB -0.399 31.414 31.823 -0.016 0.000 0.638 1632 V HN 0.238 nan 8.190 nan 0.000 0.444 1633 V N -0.471 119.434 119.914 -0.015 0.000 2.343 1633 V HA -0.227 3.898 4.120 0.008 0.000 0.247 1633 V C 2.371 178.459 176.094 -0.009 0.000 1.051 1633 V CA 1.481 63.774 62.300 -0.012 0.000 1.036 1633 V CB -0.653 31.162 31.823 -0.012 0.000 0.654 1633 V HN 0.378 nan 8.190 nan 0.000 0.451 1634 L N -0.387 120.829 121.223 -0.012 0.000 2.131 1634 L HA -0.161 4.184 4.340 0.008 0.000 0.210 1634 L C 2.368 179.232 176.870 -0.009 0.000 1.092 1634 L CA 1.853 56.685 54.840 -0.012 0.000 0.759 1634 L CB -1.322 40.724 42.059 -0.021 0.000 0.903 1634 L HN 0.454 nan 8.230 nan 0.000 0.435 1635 Q N -1.573 118.221 119.800 -0.010 0.000 2.424 1635 Q HA 0.019 4.364 4.340 0.008 0.000 0.204 1635 Q C 0.701 176.699 176.000 -0.004 0.000 0.933 1635 Q CA 0.142 55.940 55.803 -0.007 0.000 0.929 1635 Q CB 0.333 29.065 28.738 -0.010 0.000 1.037 1635 Q HN 0.395 nan 8.270 nan 0.000 0.511 1636 T N 0.000 114.552 114.554 -0.004 0.000 3.816 1636 T HA 0.000 4.355 4.350 0.008 0.000 0.228 1636 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 1636 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 1636 T HN 0.000 nan 8.240 nan 0.000 0.658