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 1g50_1_B DATA FIRST_RESID 1304 DATA SEQUENCE NSLALSLTAD QMVSALLDAE PPILYSEYDP TRPFSEASMM GLLTNLADRE DATA SEQUENCE LVHMINWAKR VPGFVDLTLH DQVHLLECAW LEILMIGLVW RSMEHPGKLL DATA SEQUENCE FAPNLLLDRN QGKCVEGMVE IFDMLLATSS RFRMMNLQGE EFVCLKSIIL DATA SEQUENCE LNSGVYTFLS STLKSLEEKD HIHRVLDKIT DTLIHLMAKA GLTLQQQHQR DATA SEQUENCE LAQLLLILSH IRHMSNKGME HLYSMKCKNV VPLYDLLLEM LDAHRL 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 1304 N HA 0.000 nan 4.740 nan 0.000 0.220 1304 N C 0.000 175.500 175.510 -0.016 0.000 1.280 1304 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 1304 N CB 0.000 38.488 38.487 0.002 0.000 1.341 1305 S N 1.131 116.824 115.700 -0.012 0.000 2.593 1305 S HA 0.027 4.497 4.470 0.001 0.000 0.300 1305 S C 1.679 176.306 174.600 0.045 0.000 1.267 1305 S CA -0.073 58.142 58.200 0.025 0.000 1.065 1305 S CB 0.015 63.325 63.200 0.182 0.000 0.807 1305 S HN 0.428 nan 8.310 nan 0.000 0.499 1306 L N 3.512 124.751 121.223 0.026 0.000 2.261 1306 L HA -0.221 4.119 4.340 0.001 0.000 0.216 1306 L C 2.218 179.104 176.870 0.026 0.000 1.114 1306 L CA 1.510 56.361 54.840 0.018 0.000 0.777 1306 L CB -0.549 41.515 42.059 0.007 0.000 0.910 1306 L HN 0.880 nan 8.230 nan 0.000 0.440 1307 A N 0.049 122.899 122.820 0.051 0.000 1.828 1307 A HA -0.244 4.077 4.320 0.001 0.000 0.215 1307 A C 1.933 179.532 177.584 0.025 0.000 1.203 1307 A CA 1.612 53.672 52.037 0.037 0.000 0.614 1307 A CB -0.991 18.042 19.000 0.054 0.000 0.844 1307 A HN 0.332 nan 8.150 nan 0.000 0.445 1308 L N 0.895 122.145 121.223 0.044 0.000 2.326 1308 L HA -0.259 4.081 4.340 0.001 0.000 0.218 1308 L C 2.453 179.334 176.870 0.019 0.000 1.098 1308 L CA 2.103 56.962 54.840 0.031 0.000 0.778 1308 L CB -0.498 41.591 42.059 0.051 0.000 0.893 1308 L HN 0.613 nan 8.230 nan 0.000 0.440 1309 S N -2.664 113.046 115.700 0.017 0.000 2.597 1309 S HA 0.225 4.696 4.470 0.001 0.000 0.224 1309 S C 0.524 175.126 174.600 0.003 0.000 0.955 1309 S CA -0.468 57.738 58.200 0.011 0.000 0.933 1309 S CB -0.202 63.004 63.200 0.010 0.000 0.788 1309 S HN 0.236 nan 8.310 nan 0.000 0.488 1310 L N 2.653 123.874 121.223 -0.002 0.000 2.399 1310 L HA 0.424 4.765 4.340 0.001 0.000 0.265 1310 L C 0.740 177.601 176.870 -0.015 0.000 1.089 1310 L CA -0.646 54.188 54.840 -0.011 0.000 0.802 1310 L CB 1.491 43.539 42.059 -0.019 0.000 1.180 1310 L HN 0.319 nan 8.230 nan 0.000 0.454 1311 T N -0.251 114.292 114.554 -0.017 0.000 2.930 1311 T HA 0.148 4.499 4.350 0.001 0.000 0.306 1311 T C 1.203 175.872 174.700 -0.052 0.000 1.045 1311 T CA -0.133 61.955 62.100 -0.020 0.000 1.134 1311 T CB 1.280 70.139 68.868 -0.015 0.000 0.961 1311 T HN 0.711 nan 8.240 nan 0.000 0.545 1312 A N 2.394 125.176 122.820 -0.064 0.000 2.104 1312 A HA -0.162 4.158 4.320 0.001 0.000 0.223 1312 A C 1.940 179.382 177.584 -0.237 0.000 1.164 1312 A CA 1.876 53.825 52.037 -0.148 0.000 0.659 1312 A CB -0.616 18.282 19.000 -0.171 0.000 0.808 1312 A HN 0.942 nan 8.150 nan 0.000 0.465 1313 D N -1.191 119.097 120.400 -0.186 0.000 2.301 1313 D HA -0.039 4.602 4.640 0.001 0.000 0.206 1313 D C 2.017 178.264 176.300 -0.088 0.000 0.979 1313 D CA 0.757 54.662 54.000 -0.159 0.000 0.874 1313 D CB -0.342 40.393 40.800 -0.108 0.000 0.968 1313 D HN 0.640 nan 8.370 nan 0.000 0.510 1314 Q N 0.241 120.003 119.800 -0.064 0.000 2.123 1314 Q HA -0.082 4.258 4.340 0.001 0.000 0.199 1314 Q C 2.091 178.061 176.000 -0.050 0.000 0.966 1314 Q CA 0.745 56.522 55.803 -0.043 0.000 0.845 1314 Q CB -0.108 28.612 28.738 -0.031 0.000 0.907 1314 Q HN 0.109 nan 8.270 nan 0.000 0.439 1315 M N 0.739 120.302 119.600 -0.062 0.000 2.088 1315 M HA -0.212 4.269 4.480 0.001 0.000 0.256 1315 M C 1.931 178.193 176.300 -0.065 0.000 1.071 1315 M CA 1.736 56.998 55.300 -0.064 0.000 1.097 1315 M CB -0.556 32.000 32.600 -0.074 0.000 1.315 1315 M HN 0.024 nan 8.290 nan 0.000 0.406 1316 V N -0.832 119.036 119.914 -0.077 0.000 2.220 1316 V HA -0.266 3.854 4.120 0.001 0.000 0.246 1316 V C 2.358 178.427 176.094 -0.042 0.000 1.049 1316 V CA 2.262 64.523 62.300 -0.066 0.000 1.003 1316 V CB -1.522 30.256 31.823 -0.076 0.000 0.634 1316 V HN 0.704 nan 8.190 nan 0.000 0.444 1317 S N -0.648 115.031 115.700 -0.036 0.000 2.528 1317 S HA -0.103 4.367 4.470 0.001 0.000 0.244 1317 S C 1.817 176.407 174.600 -0.015 0.000 0.982 1317 S CA 1.200 59.389 58.200 -0.018 0.000 0.953 1317 S CB -0.299 62.891 63.200 -0.015 0.000 0.754 1317 S HN 0.605 nan 8.310 nan 0.000 0.529 1318 A N 1.033 123.837 122.820 -0.026 0.000 1.871 1318 A HA 0.260 4.580 4.320 0.001 0.000 0.211 1318 A C 2.001 179.571 177.584 -0.023 0.000 1.207 1318 A CA 0.651 52.671 52.037 -0.029 0.000 0.620 1318 A CB -0.600 18.375 19.000 -0.042 0.000 0.860 1318 A HN 0.528 nan 8.150 nan 0.000 0.450 1319 L N -0.308 120.900 121.223 -0.025 0.000 2.141 1319 L HA -0.099 4.241 4.340 0.001 0.000 0.209 1319 L C 2.370 179.271 176.870 0.051 0.000 1.094 1319 L CA 0.700 55.545 54.840 0.009 0.000 0.763 1319 L CB -0.488 41.563 42.059 -0.013 0.000 0.908 1319 L HN 0.327 nan 8.230 nan 0.000 0.437 1320 L N -0.435 120.797 121.223 0.016 0.000 2.156 1320 L HA -0.163 4.178 4.340 0.001 0.000 0.208 1320 L C 2.233 179.129 176.870 0.042 0.000 1.095 1320 L CA 0.796 55.652 54.840 0.026 0.000 0.770 1320 L CB -0.380 41.687 42.059 0.014 0.000 0.914 1320 L HN 0.273 nan 8.230 nan 0.000 0.439 1321 D N 0.308 120.727 120.400 0.033 0.000 2.123 1321 D HA -0.134 4.506 4.640 0.001 0.000 0.200 1321 D C 2.172 178.505 176.300 0.056 0.000 0.976 1321 D CA 1.295 55.315 54.000 0.033 0.000 0.831 1321 D CB 0.232 41.041 40.800 0.015 0.000 0.974 1321 D HN 0.182 nan 8.370 nan 0.000 0.469 1322 A N 0.755 123.619 122.820 0.074 0.000 1.978 1322 A HA -0.134 4.187 4.320 0.001 0.000 0.220 1322 A C 1.071 178.823 177.584 0.280 0.000 1.170 1322 A CA 0.732 52.852 52.037 0.139 0.000 0.636 1322 A CB -0.530 18.514 19.000 0.074 0.000 0.810 1322 A HN 0.175 nan 8.150 nan 0.000 0.448 1323 E N 0.902 121.233 120.200 0.217 0.000 2.829 1323 E HA -0.024 4.326 4.350 0.001 0.000 0.264 1323 E C -2.064 174.589 176.600 0.088 0.000 0.922 1323 E CA -0.397 56.073 56.400 0.117 0.000 0.960 1323 E CB 0.124 29.859 29.700 0.058 0.000 0.918 1323 E HN 0.447 nan 8.360 nan 0.000 0.497 1324 P HA 0.259 nan 4.420 nan 0.000 0.279 1324 P C -2.423 174.906 177.300 0.049 0.000 1.252 1324 P CA -1.346 61.784 63.100 0.050 0.000 0.811 1324 P CB 0.099 31.843 31.700 0.072 0.000 1.035 1325 P HA 0.071 nan 4.420 nan 0.000 0.271 1325 P C 0.356 177.730 177.300 0.122 0.000 1.216 1325 P CA -0.122 63.022 63.100 0.074 0.000 0.776 1325 P CB 0.355 32.076 31.700 0.034 0.000 0.881 1326 I N 2.405 123.018 120.570 0.070 0.000 2.270 1326 I HA 0.139 4.309 4.170 0.001 0.000 0.300 1326 I C 0.134 176.239 176.117 -0.020 0.000 1.186 1326 I CA -0.464 60.837 61.300 0.000 0.000 1.431 1326 I CB -1.680 36.276 38.000 -0.074 0.000 1.485 1326 I HN 0.149 nan 8.210 nan 0.000 0.650 1327 L N 3.179 124.437 121.223 0.060 0.000 2.399 1327 L HA 0.552 4.893 4.340 0.001 0.000 0.266 1327 L C -0.255 176.693 176.870 0.130 0.000 1.114 1327 L CA -0.957 53.999 54.840 0.194 0.000 0.804 1327 L CB 0.106 42.279 42.059 0.190 0.000 1.146 1327 L HN 0.160 nan 8.230 nan 0.000 0.451 1328 Y N 0.153 120.493 120.300 0.066 0.000 2.314 1328 Y HA 0.217 4.767 4.550 0.001 0.000 0.334 1328 Y C 1.019 176.962 175.900 0.072 0.000 1.266 1328 Y CA -0.082 58.059 58.100 0.068 0.000 1.391 1328 Y CB 1.010 39.513 38.460 0.071 0.000 1.306 1328 Y HN 0.693 nan 8.280 nan 0.000 0.558 1329 S N 1.191 117.033 115.700 0.236 0.000 2.525 1329 S HA 0.247 4.718 4.470 0.001 0.000 0.278 1329 S C -0.760 173.971 174.600 0.219 0.000 1.234 1329 S CA -1.087 57.221 58.200 0.180 0.000 1.058 1329 S CB 0.014 63.292 63.200 0.130 0.000 0.983 1329 S HN 0.566 nan 8.310 nan 0.000 0.495 1330 E N 3.833 124.134 120.200 0.169 0.000 2.292 1330 E HA 0.337 4.688 4.350 0.001 0.000 0.265 1330 E C -0.826 175.934 176.600 0.267 0.000 1.093 1330 E CA -0.105 56.394 56.400 0.165 0.000 0.922 1330 E CB 0.007 29.774 29.700 0.111 0.000 1.001 1330 E HN 0.582 nan 8.360 nan 0.000 0.444 1331 Y N 2.297 122.639 120.300 0.070 0.000 2.288 1331 Y HA 0.172 4.722 4.550 0.001 0.000 0.319 1331 Y C -2.437 173.490 175.900 0.045 0.000 1.349 1331 Y CA -1.377 56.764 58.100 0.069 0.000 1.287 1331 Y CB 1.180 39.698 38.460 0.097 0.000 1.296 1331 Y HN 0.646 nan 8.280 nan 0.000 0.431 1332 D N 7.524 127.580 120.400 -0.574 0.000 2.349 1332 D HA 0.313 4.953 4.640 0.001 0.000 0.232 1332 D C -2.300 173.447 176.300 -0.921 0.000 1.071 1332 D CA -2.389 51.266 54.000 -0.575 0.000 0.832 1332 D CB 2.170 42.811 40.800 -0.266 0.000 1.086 1332 D HN 0.432 nan 8.370 nan 0.000 0.504 1333 P HA -0.102 nan 4.420 nan 0.000 0.234 1333 P C 0.356 177.468 177.300 -0.314 0.000 1.162 1333 P CA 0.648 63.419 63.100 -0.547 0.000 0.759 1333 P CB -0.335 31.246 31.700 -0.199 0.000 0.813 1334 T N -1.660 112.721 114.554 -0.288 0.000 3.629 1334 T HA 0.460 4.810 4.350 0.001 0.000 0.317 1334 T C 0.114 174.713 174.700 -0.168 0.000 1.690 1334 T CA -0.686 61.307 62.100 -0.179 0.000 1.276 1334 T CB -0.177 68.612 68.868 -0.132 0.000 1.205 1334 T HN 0.139 nan 8.240 nan 0.000 0.824 1335 R N 1.638 122.026 120.500 -0.186 0.000 3.513 1335 R HA 0.310 4.650 4.340 0.001 0.000 0.243 1335 R C -3.099 173.088 176.300 -0.189 0.000 1.033 1335 R CA -1.040 54.978 56.100 -0.137 0.000 1.083 1335 R CB 1.063 31.299 30.300 -0.107 0.000 1.246 1335 R HN 0.317 nan 8.270 nan 0.000 0.526 1336 P HA 0.221 nan 4.420 nan 0.000 0.274 1336 P C -0.786 176.457 177.300 -0.095 0.000 1.256 1336 P CA -0.224 62.787 63.100 -0.149 0.000 0.795 1336 P CB 0.514 32.186 31.700 -0.046 0.000 1.038 1337 F N 0.282 120.261 119.950 0.049 0.000 2.394 1337 F HA 0.248 4.775 4.527 0.001 0.000 0.340 1337 F C 1.403 177.212 175.800 0.014 0.000 1.105 1337 F CA -0.215 57.806 58.000 0.036 0.000 1.124 1337 F CB 1.375 40.386 39.000 0.018 0.000 1.145 1337 F HN 0.315 nan 8.300 nan 0.000 0.505 1338 S N 1.292 117.134 115.700 0.237 0.000 2.677 1338 S HA 0.293 4.763 4.470 0.001 0.000 0.304 1338 S C 0.666 175.308 174.600 0.071 0.000 1.108 1338 S CA -0.813 57.456 58.200 0.114 0.000 0.944 1338 S CB 1.836 65.084 63.200 0.081 0.000 1.127 1338 S HN 0.775 nan 8.310 nan 0.000 0.511 1339 E N 0.911 121.127 120.200 0.027 0.000 2.038 1339 E HA -0.175 4.175 4.350 0.001 0.000 0.195 1339 E C 2.087 178.689 176.600 0.002 0.000 1.000 1339 E CA 1.576 57.974 56.400 -0.003 0.000 0.803 1339 E CB -0.652 29.041 29.700 -0.012 0.000 0.750 1339 E HN 0.789 nan 8.360 nan 0.000 0.448 1340 A N 0.452 123.279 122.820 0.012 0.000 1.902 1340 A HA -0.198 4.122 4.320 0.001 0.000 0.217 1340 A C 2.376 179.982 177.584 0.037 0.000 1.181 1340 A CA 1.905 53.949 52.037 0.012 0.000 0.623 1340 A CB -1.027 17.977 19.000 0.008 0.000 0.818 1340 A HN 0.368 nan 8.150 nan 0.000 0.443 1341 S N -0.907 114.837 115.700 0.073 0.000 2.359 1341 S HA -0.264 4.206 4.470 0.001 0.000 0.222 1341 S C 2.135 176.815 174.600 0.134 0.000 1.038 1341 S CA 2.119 60.398 58.200 0.132 0.000 1.051 1341 S CB -0.401 62.920 63.200 0.202 0.000 0.944 1341 S HN 0.587 nan 8.310 nan 0.000 0.433 1342 M N -0.109 119.533 119.600 0.071 0.000 2.229 1342 M HA -0.045 4.436 4.480 0.001 0.000 0.264 1342 M C 2.017 178.255 176.300 -0.105 0.000 1.063 1342 M CA 1.302 56.525 55.300 -0.128 0.000 1.114 1342 M CB -0.137 32.178 32.600 -0.475 0.000 1.387 1342 M HN 0.346 nan 8.290 nan 0.000 0.420 1343 M N -0.096 119.480 119.600 -0.041 0.000 2.067 1343 M HA -0.080 4.401 4.480 0.001 0.000 0.260 1343 M C 2.296 178.615 176.300 0.031 0.000 1.069 1343 M CA 1.909 57.207 55.300 -0.003 0.000 1.117 1343 M CB -1.901 30.709 32.600 0.017 0.000 1.334 1343 M HN 0.446 nan 8.290 nan 0.000 0.407 1344 G N 0.191 109.015 108.800 0.040 0.000 2.450 1344 G HA2 -0.192 3.768 3.960 0.001 0.000 0.220 1344 G HA3 -0.192 3.768 3.960 0.001 0.000 0.220 1344 G C 1.544 176.536 174.900 0.152 0.000 1.130 1344 G CA 0.344 45.491 45.100 0.079 0.000 0.760 1344 G HN 0.314 nan 8.290 nan 0.000 0.557 1345 L N 0.159 121.444 121.223 0.103 0.000 2.072 1345 L HA 0.174 4.515 4.340 0.001 0.000 0.205 1345 L C 2.813 179.708 176.870 0.042 0.000 1.079 1345 L CA 1.244 56.142 54.840 0.096 0.000 0.752 1345 L CB -0.693 41.413 42.059 0.077 0.000 0.906 1345 L HN 0.233 nan 8.230 nan 0.000 0.436 1346 L N -0.755 120.456 121.223 -0.019 0.000 2.068 1346 L HA -0.164 4.176 4.340 0.001 0.000 0.204 1346 L C 2.548 179.486 176.870 0.114 0.000 1.076 1346 L CA 1.599 56.429 54.840 -0.016 0.000 0.753 1346 L CB -1.000 40.993 42.059 -0.110 0.000 0.910 1346 L HN 0.326 nan 8.230 nan 0.000 0.439 1347 T N -2.564 112.088 114.554 0.163 0.000 2.803 1347 T HA -0.235 4.116 4.350 0.001 0.000 0.269 1347 T C 1.712 176.606 174.700 0.323 0.000 1.052 1347 T CA 1.566 63.822 62.100 0.259 0.000 1.136 1347 T CB -0.624 68.398 68.868 0.257 0.000 0.864 1347 T HN 0.364 nan 8.240 nan 0.000 0.467 1348 N N 1.294 120.193 118.700 0.332 0.000 2.106 1348 N HA -0.112 4.628 4.740 0.001 0.000 0.188 1348 N C 2.032 177.499 175.510 -0.071 0.000 1.029 1348 N CA 1.485 54.561 53.050 0.042 0.000 0.848 1348 N CB -0.447 38.125 38.487 0.142 0.000 1.007 1348 N HN 0.393 nan 8.380 nan 0.000 0.423 1349 L N 1.350 122.592 121.223 0.033 0.000 2.083 1349 L HA -0.004 4.336 4.340 0.001 0.000 0.209 1349 L C 2.389 179.273 176.870 0.023 0.000 1.083 1349 L CA 1.757 56.615 54.840 0.029 0.000 0.752 1349 L CB -1.007 41.100 42.059 0.081 0.000 0.899 1349 L HN 0.272 nan 8.230 nan 0.000 0.433 1350 A N -0.736 122.129 122.820 0.075 0.000 1.825 1350 A HA -0.252 4.068 4.320 0.001 0.000 0.214 1350 A C 2.166 179.777 177.584 0.045 0.000 1.206 1350 A CA 1.611 53.713 52.037 0.109 0.000 0.609 1350 A CB -1.265 17.862 19.000 0.212 0.000 0.851 1350 A HN 0.550 nan 8.150 nan 0.000 0.445 1351 D N -0.379 120.030 120.400 0.015 0.000 2.192 1351 D HA -0.251 4.390 4.640 0.001 0.000 0.189 1351 D C 2.130 178.355 176.300 -0.125 0.000 1.007 1351 D CA 1.934 55.892 54.000 -0.070 0.000 0.859 1351 D CB -0.230 40.458 40.800 -0.185 0.000 0.936 1351 D HN 0.453 nan 8.370 nan 0.000 0.447 1352 R N 0.154 120.548 120.500 -0.178 0.000 2.070 1352 R HA -0.126 4.215 4.340 0.001 0.000 0.232 1352 R C 2.570 178.704 176.300 -0.276 0.000 1.138 1352 R CA 1.408 57.380 56.100 -0.213 0.000 0.936 1352 R CB -0.486 29.698 30.300 -0.192 0.000 0.839 1352 R HN 0.363 nan 8.270 nan 0.000 0.429 1353 E N 0.710 120.792 120.200 -0.197 0.000 2.209 1353 E HA -0.195 4.156 4.350 0.001 0.000 0.196 1353 E C 1.270 177.820 176.600 -0.083 0.000 0.993 1353 E CA 0.675 56.971 56.400 -0.173 0.000 0.819 1353 E CB 0.059 29.726 29.700 -0.056 0.000 0.745 1353 E HN 0.052 nan 8.360 nan 0.000 0.477 1354 L N 0.346 121.552 121.223 -0.029 0.000 2.693 1354 L HA 0.002 4.342 4.340 0.001 0.000 0.242 1354 L C 1.036 177.918 176.870 0.020 0.000 1.157 1354 L CA 0.474 55.341 54.840 0.044 0.000 0.929 1354 L CB 0.521 42.621 42.059 0.068 0.000 1.103 1354 L HN -0.003 nan 8.230 nan 0.000 0.430 1355 V N -2.205 117.696 119.914 -0.022 0.000 3.219 1355 V HA -0.029 4.091 4.120 0.001 0.000 0.240 1355 V C 1.866 178.053 176.094 0.155 0.000 1.222 1355 V CA 0.548 62.866 62.300 0.031 0.000 1.181 1355 V CB -0.159 31.654 31.823 -0.016 0.000 0.941 1355 V HN 0.482 nan 8.190 nan 0.000 0.471 1356 H N -0.549 118.555 119.070 0.057 0.000 2.495 1356 H HA -0.033 4.523 4.556 0.001 0.000 0.287 1356 H C 2.202 177.597 175.328 0.112 0.000 1.033 1356 H CA 1.407 57.498 56.048 0.072 0.000 1.307 1356 H CB 0.253 30.046 29.762 0.052 0.000 1.401 1356 H HN 0.305 nan 8.280 nan 0.000 0.555 1357 M N 0.883 120.612 119.600 0.216 0.000 2.175 1357 M HA -0.132 4.349 4.480 0.001 0.000 0.264 1357 M C 1.782 178.248 176.300 0.275 0.000 1.063 1357 M CA 1.453 56.886 55.300 0.222 0.000 1.119 1357 M CB 0.042 32.731 32.600 0.148 0.000 1.377 1357 M HN 0.240 nan 8.290 nan 0.000 0.415 1358 I N 0.678 121.363 120.570 0.190 0.000 2.127 1358 I HA -0.374 3.796 4.170 0.001 0.000 0.241 1358 I C 1.832 178.026 176.117 0.128 0.000 1.075 1358 I CA 1.907 63.295 61.300 0.148 0.000 1.334 1358 I CB -0.963 37.107 38.000 0.116 0.000 1.040 1358 I HN 0.466 nan 8.210 nan 0.000 0.405 1359 N N -0.090 118.696 118.700 0.144 0.000 2.104 1359 N HA -0.264 4.476 4.740 0.001 0.000 0.190 1359 N C 1.747 177.316 175.510 0.098 0.000 1.024 1359 N CA 1.461 54.576 53.050 0.108 0.000 0.853 1359 N CB -0.319 38.231 38.487 0.106 0.000 1.008 1359 N HN 0.421 nan 8.380 nan 0.000 0.424 1360 W N 2.431 123.714 121.300 -0.028 0.000 2.315 1360 W HA -0.220 4.440 4.660 0.001 0.000 0.323 1360 W C 2.486 178.918 176.519 -0.146 0.000 1.233 1360 W CA 2.054 59.357 57.345 -0.070 0.000 1.267 1360 W CB -0.684 28.736 29.460 -0.066 0.000 1.160 1360 W HN 0.038 nan 8.180 nan 0.000 0.474 1361 A N 0.879 123.519 122.820 -0.301 0.000 1.896 1361 A HA -0.356 3.965 4.320 0.001 0.000 0.220 1361 A C 1.891 178.952 177.584 -0.871 0.000 1.206 1361 A CA 2.866 54.349 52.037 -0.923 0.000 0.647 1361 A CB -1.157 17.468 19.000 -0.626 0.000 0.828 1361 A HN 0.300 nan 8.150 nan 0.000 0.455 1362 K N -0.486 119.759 120.400 -0.259 0.000 2.218 1362 K HA -0.113 4.208 4.320 0.001 0.000 0.205 1362 K C 2.068 178.650 176.600 -0.031 0.000 1.046 1362 K CA 1.624 57.952 56.287 0.069 0.000 0.933 1362 K CB -0.217 32.333 32.500 0.083 0.000 0.728 1362 K HN 0.583 nan 8.250 nan 0.000 0.454 1363 R N -0.336 120.030 120.500 -0.223 0.000 2.210 1363 R HA 0.095 4.435 4.340 0.001 0.000 0.203 1363 R C 0.041 176.172 176.300 -0.282 0.000 1.010 1363 R CA 0.027 56.003 56.100 -0.207 0.000 1.008 1363 R CB 0.137 30.327 30.300 -0.183 0.000 0.923 1363 R HN -0.082 nan 8.270 nan 0.000 0.469 1364 V N 4.022 123.625 119.914 -0.519 0.000 2.617 1364 V HA -0.002 4.119 4.120 0.001 0.000 0.304 1364 V C -2.034 173.968 176.094 -0.153 0.000 1.040 1364 V CA -0.962 61.065 62.300 -0.455 0.000 1.149 1364 V CB 0.445 31.838 31.823 -0.715 0.000 0.914 1364 V HN 0.031 nan 8.190 nan 0.000 0.487 1365 P HA 0.153 nan 4.420 nan 0.000 0.264 1365 P C 1.015 178.325 177.300 0.016 0.000 1.183 1365 P CA 1.524 64.605 63.100 -0.032 0.000 0.763 1365 P CB 0.487 32.159 31.700 -0.047 0.000 0.807 1366 G N 2.393 111.238 108.800 0.076 0.000 2.245 1366 G HA2 -0.394 3.566 3.960 0.001 0.000 0.264 1366 G HA3 -0.394 3.566 3.960 0.001 0.000 0.264 1366 G C 0.886 175.918 174.900 0.220 0.000 0.985 1366 G CA 0.389 45.596 45.100 0.178 0.000 0.625 1366 G HN 0.510 nan 8.290 nan 0.000 0.536 1367 F N 2.051 121.993 119.950 -0.012 0.000 2.102 1367 F HA 0.012 4.540 4.527 0.001 0.000 0.298 1367 F C 2.632 178.430 175.800 -0.003 0.000 1.105 1367 F CA 2.777 60.760 58.000 -0.029 0.000 1.239 1367 F CB -0.341 38.583 39.000 -0.126 0.000 0.991 1367 F HN 0.477 nan 8.300 nan 0.000 0.474 1368 V N -2.416 117.464 119.914 -0.056 0.000 3.510 1368 V HA -0.052 4.068 4.120 0.001 0.000 0.270 1368 V C 0.975 176.978 176.094 -0.152 0.000 1.201 1368 V CA 1.438 63.644 62.300 -0.157 0.000 1.166 1368 V CB -0.987 30.823 31.823 -0.022 0.000 0.825 1368 V HN 0.217 nan 8.190 nan 0.000 0.484 1369 D N 0.827 121.163 120.400 -0.107 0.000 2.336 1369 D HA 0.248 4.889 4.640 0.001 0.000 0.229 1369 D C 0.593 176.766 176.300 -0.211 0.000 1.061 1369 D CA 0.390 54.295 54.000 -0.159 0.000 0.875 1369 D CB 0.372 41.046 40.800 -0.210 0.000 0.904 1369 D HN 0.460 nan 8.370 nan 0.000 0.525 1370 L N 0.348 121.440 121.223 -0.217 0.000 2.358 1370 L HA 0.244 4.584 4.340 0.001 0.000 0.268 1370 L C 0.776 177.508 176.870 -0.231 0.000 1.032 1370 L CA -0.826 53.877 54.840 -0.228 0.000 0.805 1370 L CB 1.231 43.126 42.059 -0.274 0.000 1.253 1370 L HN -0.143 nan 8.230 nan 0.000 0.452 1371 T N -1.055 113.374 114.554 -0.209 0.000 2.888 1371 T HA 0.186 4.536 4.350 0.001 0.000 0.301 1371 T C 1.515 176.127 174.700 -0.145 0.000 1.001 1371 T CA -0.585 61.422 62.100 -0.156 0.000 1.147 1371 T CB 0.506 69.289 68.868 -0.142 0.000 0.931 1371 T HN 0.432 nan 8.240 nan 0.000 0.541 1372 L N 1.352 122.504 121.223 -0.119 0.000 2.030 1372 L HA -0.279 4.061 4.340 0.001 0.000 0.222 1372 L C 2.651 179.438 176.870 -0.137 0.000 1.082 1372 L CA 2.046 56.800 54.840 -0.144 0.000 0.785 1372 L CB -0.963 41.001 42.059 -0.158 0.000 0.895 1372 L HN 0.808 nan 8.230 nan 0.000 0.439 1373 H N -0.685 118.348 119.070 -0.062 0.000 2.422 1373 H HA -0.167 4.390 4.556 0.001 0.000 0.298 1373 H C 1.925 177.259 175.328 0.010 0.000 1.098 1373 H CA 1.761 57.797 56.048 -0.019 0.000 1.315 1373 H CB -0.098 29.644 29.762 -0.033 0.000 1.382 1373 H HN 0.377 nan 8.280 nan 0.000 0.523 1374 D N -0.365 120.044 120.400 0.015 0.000 2.183 1374 D HA -0.098 4.543 4.640 0.001 0.000 0.203 1374 D C 1.967 178.340 176.300 0.122 0.000 0.969 1374 D CA 0.718 54.709 54.000 -0.015 0.000 0.842 1374 D CB 0.036 40.617 40.800 -0.365 0.000 0.957 1374 D HN 0.443 nan 8.370 nan 0.000 0.484 1375 Q N 0.100 119.868 119.800 -0.053 0.000 2.050 1375 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 1375 Q C 2.261 178.425 176.000 0.272 0.000 0.980 1375 Q CA 1.093 56.833 55.803 -0.107 0.000 0.840 1375 Q CB -0.061 28.432 28.738 -0.408 0.000 0.898 1375 Q HN 0.208 nan 8.270 nan 0.000 0.424 1376 V N 0.927 120.946 119.914 0.176 0.000 2.220 1376 V HA -0.341 3.780 4.120 0.001 0.000 0.246 1376 V C 2.342 178.589 176.094 0.254 0.000 1.049 1376 V CA 2.269 64.681 62.300 0.186 0.000 1.003 1376 V CB -1.150 30.727 31.823 0.089 0.000 0.634 1376 V HN 0.530 nan 8.190 nan 0.000 0.444 1377 H N 0.484 119.661 119.070 0.178 0.000 2.297 1377 H HA -0.238 4.319 4.556 0.001 0.000 0.289 1377 H C 2.238 177.700 175.328 0.224 0.000 1.105 1377 H CA 2.689 58.860 56.048 0.205 0.000 1.219 1377 H CB -0.467 29.457 29.762 0.270 0.000 1.351 1377 H HN 0.344 nan 8.280 nan 0.000 0.481 1378 L N -0.015 121.549 121.223 0.570 0.000 2.013 1378 L HA -0.253 4.088 4.340 0.001 0.000 0.212 1378 L C 3.157 180.222 176.870 0.325 0.000 1.073 1378 L CA 1.329 56.438 54.840 0.448 0.000 0.753 1378 L CB -0.559 41.783 42.059 0.471 0.000 0.890 1378 L HN 0.235 nan 8.230 nan 0.000 0.432 1379 L N -0.183 121.241 121.223 0.335 0.000 1.955 1379 L HA -0.242 4.098 4.340 0.001 0.000 0.213 1379 L C 2.743 179.807 176.870 0.324 0.000 1.072 1379 L CA 1.924 56.940 54.840 0.294 0.000 0.755 1379 L CB -0.752 41.465 42.059 0.264 0.000 0.888 1379 L HN 0.392 nan 8.230 nan 0.000 0.432 1380 E N -0.776 119.570 120.200 0.244 0.000 2.333 1380 E HA -0.269 4.082 4.350 0.001 0.000 0.198 1380 E C 2.151 179.012 176.600 0.434 0.000 1.007 1380 E CA 1.439 58.003 56.400 0.274 0.000 0.845 1380 E CB -0.573 29.174 29.700 0.078 0.000 0.766 1380 E HN 0.524 nan 8.360 nan 0.000 0.507 1381 C N 0.011 119.439 119.300 0.213 0.000 2.514 1381 C HA 0.416 4.876 4.460 0.001 0.000 0.271 1381 C C 2.072 177.226 174.990 0.273 0.000 1.399 1381 C CA 0.753 59.847 59.018 0.128 0.000 1.765 1381 C CB -0.668 27.039 27.740 -0.054 0.000 1.893 1381 C HN 0.605 nan 8.230 nan 0.000 0.531 1382 A N -0.483 122.506 122.820 0.281 0.000 2.600 1382 A HA 0.210 4.530 4.320 0.001 0.000 0.252 1382 A C 1.584 179.210 177.584 0.071 0.000 1.200 1382 A CA 0.262 52.384 52.037 0.141 0.000 0.981 1382 A CB -0.716 18.359 19.000 0.126 0.000 1.207 1382 A HN 0.778 nan 8.150 nan 0.000 0.577 1383 W N 0.135 121.500 121.300 0.108 0.000 2.290 1383 W HA -0.306 4.355 4.660 0.001 0.000 0.318 1383 W C 1.143 177.677 176.519 0.025 0.000 1.248 1383 W CA 1.712 59.100 57.345 0.070 0.000 1.263 1383 W CB -1.313 28.195 29.460 0.081 0.000 1.147 1383 W HN 0.320 nan 8.180 nan 0.000 0.494 1384 L N 1.705 122.058 121.223 -1.451 0.000 2.056 1384 L HA -0.095 4.245 4.340 0.001 0.000 0.207 1384 L C 2.777 179.314 176.870 -0.554 0.000 1.078 1384 L CA 2.618 56.683 54.840 -1.291 0.000 0.749 1384 L CB -1.189 39.895 42.059 -1.624 0.000 0.901 1384 L HN 0.110 nan 8.230 nan 0.000 0.433 1385 E N -0.502 119.453 120.200 -0.408 0.000 2.171 1385 E HA -0.250 4.101 4.350 0.001 0.000 0.197 1385 E C 2.117 178.640 176.600 -0.130 0.000 0.997 1385 E CA 1.802 58.083 56.400 -0.199 0.000 0.810 1385 E CB -0.129 29.507 29.700 -0.106 0.000 0.738 1385 E HN 0.648 nan 8.360 nan 0.000 0.467 1386 I N 0.174 120.671 120.570 -0.121 0.000 2.235 1386 I HA -0.226 3.945 4.170 0.001 0.000 0.241 1386 I C 2.371 178.414 176.117 -0.123 0.000 1.085 1386 I CA 0.469 61.705 61.300 -0.107 0.000 1.378 1386 I CB -0.249 37.696 38.000 -0.091 0.000 1.076 1386 I HN 0.140 nan 8.210 nan 0.000 0.415 1387 L N 0.183 121.331 121.223 -0.125 0.000 2.151 1387 L HA -0.307 4.034 4.340 0.001 0.000 0.215 1387 L C 2.607 179.395 176.870 -0.138 0.000 1.084 1387 L CA 1.743 56.517 54.840 -0.109 0.000 0.764 1387 L CB -0.303 41.703 42.059 -0.089 0.000 0.891 1387 L HN 0.353 nan 8.230 nan 0.000 0.435 1388 M N -1.457 118.049 119.600 -0.156 0.000 2.216 1388 M HA -0.173 4.307 4.480 0.001 0.000 0.264 1388 M C 2.305 178.556 176.300 -0.081 0.000 1.080 1388 M CA 1.398 56.604 55.300 -0.157 0.000 1.153 1388 M CB -0.226 32.275 32.600 -0.164 0.000 1.356 1388 M HN 0.186 nan 8.290 nan 0.000 0.432 1389 I N 0.615 121.188 120.570 0.004 0.000 2.335 1389 I HA -0.219 3.952 4.170 0.001 0.000 0.251 1389 I C 2.094 178.389 176.117 0.296 0.000 1.129 1389 I CA 1.516 62.923 61.300 0.179 0.000 1.402 1389 I CB -0.260 37.882 38.000 0.237 0.000 1.069 1389 I HN 0.297 nan 8.210 nan 0.000 0.424 1390 G N 0.945 109.852 108.800 0.178 0.000 2.434 1390 G HA2 -0.291 3.669 3.960 0.001 0.000 0.214 1390 G HA3 -0.291 3.669 3.960 0.001 0.000 0.214 1390 G C 1.512 176.429 174.900 0.027 0.000 1.202 1390 G CA 0.780 45.997 45.100 0.195 0.000 0.788 1390 G HN 0.408 nan 8.290 nan 0.000 0.539 1391 L N 1.051 122.199 121.223 -0.124 0.000 2.034 1391 L HA -0.161 4.179 4.340 0.001 0.000 0.217 1391 L C 2.825 179.540 176.870 -0.259 0.000 1.077 1391 L CA 1.960 56.616 54.840 -0.306 0.000 0.769 1391 L CB -0.750 40.998 42.059 -0.518 0.000 0.890 1391 L HN 0.089 nan 8.230 nan 0.000 0.435 1392 V N -0.775 119.041 119.914 -0.163 0.000 2.407 1392 V HA -0.316 3.804 4.120 0.001 0.000 0.248 1392 V C 2.191 178.289 176.094 0.007 0.000 1.055 1392 V CA 2.181 64.406 62.300 -0.125 0.000 1.049 1392 V CB -1.042 30.689 31.823 -0.154 0.000 0.662 1392 V HN 0.788 nan 8.190 nan 0.000 0.455 1393 W N 1.421 122.639 121.300 -0.136 0.000 2.379 1393 W HA -0.155 4.505 4.660 0.001 0.000 0.307 1393 W C 2.433 178.779 176.519 -0.288 0.000 1.200 1393 W CA 1.393 58.557 57.345 -0.302 0.000 1.297 1393 W CB -0.215 28.672 29.460 -0.954 0.000 1.140 1393 W HN 0.168 nan 8.180 nan 0.000 0.507 1394 R N 0.293 120.654 120.500 -0.230 0.000 2.328 1394 R HA -0.068 4.272 4.340 0.001 0.000 0.207 1394 R C 1.929 178.016 176.300 -0.355 0.000 1.056 1394 R CA 1.296 57.208 56.100 -0.315 0.000 1.016 1394 R CB -0.149 30.012 30.300 -0.233 0.000 0.872 1394 R HN 0.030 nan 8.270 nan 0.000 0.471 1395 S N -0.266 115.257 115.700 -0.294 0.000 2.512 1395 S HA 0.108 4.578 4.470 0.001 0.000 0.216 1395 S C 1.585 176.100 174.600 -0.142 0.000 1.006 1395 S CA -0.308 57.757 58.200 -0.225 0.000 0.915 1395 S CB 0.264 63.335 63.200 -0.214 0.000 0.824 1395 S HN 0.132 nan 8.310 nan 0.000 0.497 1396 M N 2.234 121.706 119.600 -0.214 0.000 2.758 1396 M HA -0.303 4.177 4.480 0.001 0.000 0.262 1396 M C 1.889 178.120 176.300 -0.116 0.000 1.052 1396 M CA 2.027 57.213 55.300 -0.190 0.000 1.059 1396 M CB -1.178 31.161 32.600 -0.435 0.000 1.265 1396 M HN 0.410 nan 8.290 nan 0.000 0.486 1397 E N -1.004 119.134 120.200 -0.104 0.000 1.998 1397 E HA -0.164 4.187 4.350 0.001 0.000 0.196 1397 E C 0.582 177.155 176.600 -0.045 0.000 1.003 1397 E CA 0.987 57.337 56.400 -0.083 0.000 0.829 1397 E CB -0.519 29.099 29.700 -0.137 0.000 0.777 1397 E HN 0.572 nan 8.360 nan 0.000 0.460 1398 H N 2.249 121.249 119.070 -0.117 0.000 3.342 1398 H HA 0.013 4.569 4.556 0.001 0.000 0.233 1398 H C -2.061 173.224 175.328 -0.072 0.000 0.967 1398 H CA -1.229 54.770 56.048 -0.080 0.000 1.404 1398 H CB -0.990 28.727 29.762 -0.075 0.000 1.560 1398 H HN 0.161 nan 8.280 nan 0.000 0.510 1399 P HA 0.060 nan 4.420 nan 0.000 0.271 1399 P C 0.983 178.294 177.300 0.018 0.000 1.218 1399 P CA 0.244 63.346 63.100 0.003 0.000 0.780 1399 P CB 1.141 32.832 31.700 -0.015 0.000 0.901 1400 G N 1.787 110.592 108.800 0.009 0.000 2.180 1400 G HA2 -0.268 3.692 3.960 0.001 0.000 0.263 1400 G HA3 -0.268 3.692 3.960 0.001 0.000 0.263 1400 G C -0.088 174.835 174.900 0.038 0.000 0.989 1400 G CA 0.463 45.577 45.100 0.023 0.000 0.692 1400 G HN 0.658 nan 8.290 nan 0.000 0.526 1401 K N -0.671 119.744 120.400 0.025 0.000 2.468 1401 K HA 0.602 4.923 4.320 0.001 0.000 0.252 1401 K C -0.407 176.165 176.600 -0.046 0.000 0.932 1401 K CA -0.925 55.378 56.287 0.026 0.000 0.794 1401 K CB 2.064 34.602 32.500 0.062 0.000 1.241 1401 K HN 0.071 nan 8.250 nan 0.000 0.428 1402 L N 3.865 125.043 121.223 -0.076 0.000 2.264 1402 L HA 0.343 4.683 4.340 0.001 0.000 0.287 1402 L C -0.018 176.769 176.870 -0.139 0.000 1.039 1402 L CA -0.605 54.115 54.840 -0.200 0.000 0.829 1402 L CB 0.688 42.549 42.059 -0.330 0.000 1.211 1402 L HN 0.465 nan 8.230 nan 0.000 0.427 1403 L N 3.689 124.763 121.223 -0.248 0.000 2.382 1403 L HA 0.087 4.428 4.340 0.001 0.000 0.259 1403 L C 0.824 177.556 176.870 -0.230 0.000 1.291 1403 L CA -0.028 54.669 54.840 -0.239 0.000 1.176 1403 L CB -0.095 41.707 42.059 -0.428 0.000 1.373 1403 L HN 0.540 nan 8.230 nan 0.000 0.426 1404 F N 2.260 122.082 119.950 -0.213 0.000 2.046 1404 F HA -0.129 4.398 4.527 0.001 0.000 0.297 1404 F C 1.566 177.268 175.800 -0.163 0.000 1.123 1404 F CA 1.457 59.346 58.000 -0.184 0.000 1.199 1404 F CB -0.275 38.618 39.000 -0.177 0.000 0.972 1404 F HN 0.469 nan 8.300 nan 0.000 0.474 1405 A N -1.789 121.055 122.820 0.040 0.000 2.479 1405 A HA 0.556 4.876 4.320 0.001 0.000 0.296 1405 A C -2.025 175.498 177.584 -0.100 0.000 1.121 1405 A CA -1.230 50.767 52.037 -0.067 0.000 0.743 1405 A CB 0.640 19.647 19.000 0.012 0.000 1.323 1405 A HN -0.083 nan 8.150 nan 0.000 0.415 1406 P HA -0.114 nan 4.420 nan 0.000 0.217 1406 P C 0.692 178.041 177.300 0.081 0.000 1.150 1406 P CA 1.822 64.852 63.100 -0.117 0.000 0.832 1406 P CB 0.047 31.603 31.700 -0.240 0.000 0.787 1407 N N -1.379 117.439 118.700 0.196 0.000 2.336 1407 N HA 0.045 4.786 4.740 0.001 0.000 0.189 1407 N C 0.012 175.696 175.510 0.291 0.000 1.113 1407 N CA 0.236 53.454 53.050 0.281 0.000 0.858 1407 N CB -0.435 38.271 38.487 0.365 0.000 0.970 1407 N HN 0.052 nan 8.380 nan 0.000 0.471 1408 L N 1.078 122.392 121.223 0.152 0.000 2.462 1408 L HA 0.474 4.814 4.340 0.001 0.000 0.255 1408 L C -1.454 175.441 176.870 0.040 0.000 1.076 1408 L CA -0.687 54.165 54.840 0.021 0.000 0.920 1408 L CB 0.965 42.959 42.059 -0.108 0.000 1.214 1408 L HN 0.047 nan 8.230 nan 0.000 0.472 1409 L N 4.979 126.248 121.223 0.077 0.000 2.307 1409 L HA 0.639 4.979 4.340 0.001 0.000 0.284 1409 L C -1.168 175.765 176.870 0.106 0.000 1.023 1409 L CA -0.387 54.499 54.840 0.076 0.000 0.810 1409 L CB 1.659 43.761 42.059 0.072 0.000 1.231 1409 L HN 0.529 nan 8.230 nan 0.000 0.423 1410 L N 3.385 124.674 121.223 0.110 0.000 2.350 1410 L HA 0.569 4.910 4.340 0.001 0.000 0.260 1410 L C -1.057 175.902 176.870 0.150 0.000 1.015 1410 L CA -0.905 54.015 54.840 0.133 0.000 0.821 1410 L CB 2.465 44.568 42.059 0.073 0.000 1.370 1410 L HN 0.578 nan 8.230 nan 0.000 0.416 1411 D N -0.691 119.827 120.400 0.197 0.000 2.493 1411 D HA 0.259 4.899 4.640 0.001 0.000 0.239 1411 D C 0.584 177.037 176.300 0.256 0.000 1.049 1411 D CA -0.866 53.243 54.000 0.183 0.000 1.008 1411 D CB 1.289 42.165 40.800 0.126 0.000 1.398 1411 D HN 0.242 nan 8.370 nan 0.000 0.513 1412 R N 0.163 120.788 120.500 0.208 0.000 2.174 1412 R HA -0.235 4.106 4.340 0.001 0.000 0.253 1412 R C 0.834 177.180 176.300 0.077 0.000 1.165 1412 R CA 1.613 57.825 56.100 0.185 0.000 0.984 1412 R CB -0.569 29.795 30.300 0.106 0.000 0.873 1412 R HN 0.520 nan 8.270 nan 0.000 0.456 1413 N N 0.097 118.837 118.700 0.067 0.000 2.207 1413 N HA -0.096 4.645 4.740 0.001 0.000 0.182 1413 N C 1.657 177.160 175.510 -0.013 0.000 1.020 1413 N CA 0.897 53.959 53.050 0.019 0.000 0.858 1413 N CB -0.119 38.393 38.487 0.041 0.000 0.991 1413 N HN 0.123 nan 8.380 nan 0.000 0.427 1414 Q N -0.015 119.813 119.800 0.046 0.000 2.096 1414 Q HA -0.049 4.292 4.340 0.001 0.000 0.208 1414 Q C 1.956 177.826 176.000 -0.217 0.000 0.993 1414 Q CA 1.927 57.740 55.803 0.016 0.000 0.862 1414 Q CB -0.976 27.826 28.738 0.108 0.000 0.915 1414 Q HN 0.464 nan 8.270 nan 0.000 0.416 1415 G N 0.184 108.705 108.800 -0.465 0.000 2.516 1415 G HA2 -0.300 3.661 3.960 0.001 0.000 0.221 1415 G HA3 -0.300 3.661 3.960 0.001 0.000 0.221 1415 G C 0.950 175.492 174.900 -0.598 0.000 1.107 1415 G CA 0.972 45.386 45.100 -1.143 0.000 0.747 1415 G HN 0.343 nan 8.290 nan 0.000 0.567 1416 K N -0.453 119.748 120.400 -0.332 0.000 2.439 1416 K HA 0.029 4.350 4.320 0.001 0.000 0.197 1416 K C 2.198 178.714 176.600 -0.140 0.000 1.041 1416 K CA 0.405 56.577 56.287 -0.192 0.000 0.970 1416 K CB -0.191 32.244 32.500 -0.109 0.000 0.773 1416 K HN 0.301 nan 8.250 nan 0.000 0.479 1417 C N 0.890 120.098 119.300 -0.153 0.000 2.419 1417 C HA -0.009 4.452 4.460 0.001 0.000 0.281 1417 C C 1.082 176.015 174.990 -0.095 0.000 1.336 1417 C CA 0.118 59.084 59.018 -0.087 0.000 1.770 1417 C CB -0.353 27.340 27.740 -0.079 0.000 1.929 1417 C HN 0.072 nan 8.230 nan 0.000 0.509 1418 V N 1.013 120.840 119.914 -0.146 0.000 2.495 1418 V HA 0.237 4.357 4.120 0.001 0.000 0.298 1418 V C 0.011 176.072 176.094 -0.056 0.000 1.031 1418 V CA -0.738 61.511 62.300 -0.087 0.000 0.871 1418 V CB 1.582 33.362 31.823 -0.072 0.000 0.988 1418 V HN 0.344 nan 8.190 nan 0.000 0.432 1419 E N 3.238 123.421 120.200 -0.029 0.000 2.529 1419 E HA 0.181 4.531 4.350 0.001 0.000 0.259 1419 E C 1.322 177.935 176.600 0.021 0.000 0.966 1419 E CA 0.995 57.380 56.400 -0.026 0.000 0.937 1419 E CB 0.373 30.047 29.700 -0.044 0.000 0.923 1419 E HN 1.125 nan 8.360 nan 0.000 0.468 1420 G N 4.158 112.966 108.800 0.014 0.000 2.196 1420 G HA2 -0.378 3.583 3.960 0.001 0.000 0.268 1420 G HA3 -0.378 3.583 3.960 0.001 0.000 0.268 1420 G C 0.663 175.646 174.900 0.139 0.000 0.975 1420 G CA 0.843 45.984 45.100 0.070 0.000 0.648 1420 G HN 0.638 nan 8.290 nan 0.000 0.538 1421 M N 0.357 119.993 119.600 0.060 0.000 2.200 1421 M HA 0.207 4.687 4.480 0.001 0.000 0.265 1421 M C 2.516 178.633 176.300 -0.305 0.000 1.066 1421 M CA 2.136 57.345 55.300 -0.151 0.000 1.127 1421 M CB -0.302 32.134 32.600 -0.274 0.000 1.379 1421 M HN 0.208 nan 8.290 nan 0.000 0.420 1422 V N 0.808 120.550 119.914 -0.288 0.000 2.215 1422 V HA -0.363 3.757 4.120 0.001 0.000 0.249 1422 V C 2.136 178.187 176.094 -0.071 0.000 1.054 1422 V CA 2.478 64.627 62.300 -0.253 0.000 1.012 1422 V CB -1.235 30.499 31.823 -0.148 0.000 0.639 1422 V HN 0.461 nan 8.190 nan 0.000 0.448 1423 E N 0.210 120.396 120.200 -0.024 0.000 2.197 1423 E HA -0.263 4.088 4.350 0.001 0.000 0.205 1423 E C 1.862 178.495 176.600 0.055 0.000 1.029 1423 E CA 2.053 58.467 56.400 0.022 0.000 0.828 1423 E CB -0.565 29.146 29.700 0.020 0.000 0.737 1423 E HN 0.656 nan 8.360 nan 0.000 0.464 1424 I N -0.385 120.220 120.570 0.058 0.000 2.202 1424 I HA -0.228 3.942 4.170 0.001 0.000 0.242 1424 I C 1.812 178.056 176.117 0.211 0.000 1.091 1424 I CA 0.807 62.162 61.300 0.091 0.000 1.368 1424 I CB -0.285 37.743 38.000 0.047 0.000 1.058 1424 I HN 0.025 nan 8.210 nan 0.000 0.410 1425 F N 1.772 121.695 119.950 -0.044 0.000 2.091 1425 F HA -0.270 4.258 4.527 0.001 0.000 0.299 1425 F C 2.184 177.971 175.800 -0.021 0.000 1.103 1425 F CA 1.567 59.554 58.000 -0.021 0.000 1.228 1425 F CB -1.181 37.812 39.000 -0.012 0.000 0.984 1425 F HN 0.143 nan 8.300 nan 0.000 0.477 1426 D N -0.195 120.322 120.400 0.195 0.000 2.103 1426 D HA -0.243 4.398 4.640 0.001 0.000 0.190 1426 D C 2.430 178.769 176.300 0.066 0.000 0.997 1426 D CA 1.711 55.771 54.000 0.100 0.000 0.833 1426 D CB -0.480 40.365 40.800 0.075 0.000 0.961 1426 D HN 0.173 nan 8.370 nan 0.000 0.447 1427 M N -0.174 119.481 119.600 0.092 0.000 2.144 1427 M HA -0.170 4.311 4.480 0.001 0.000 0.260 1427 M C 2.167 178.495 176.300 0.046 0.000 1.067 1427 M CA 1.118 56.499 55.300 0.136 0.000 1.095 1427 M CB -0.309 32.408 32.600 0.195 0.000 1.365 1427 M HN 0.089 nan 8.290 nan 0.000 0.406 1428 L N -0.311 120.910 121.223 -0.004 0.000 2.109 1428 L HA -0.168 4.173 4.340 0.001 0.000 0.207 1428 L C 2.262 179.050 176.870 -0.136 0.000 1.086 1428 L CA 0.934 55.713 54.840 -0.102 0.000 0.760 1428 L CB -0.370 41.588 42.059 -0.168 0.000 0.910 1428 L HN 0.339 nan 8.230 nan 0.000 0.437 1429 L N -0.771 120.402 121.223 -0.083 0.000 2.179 1429 L HA -0.059 4.281 4.340 0.001 0.000 0.208 1429 L C 2.783 179.596 176.870 -0.095 0.000 1.096 1429 L CA 0.728 55.519 54.840 -0.082 0.000 0.779 1429 L CB -0.593 41.450 42.059 -0.025 0.000 0.922 1429 L HN 0.173 nan 8.230 nan 0.000 0.443 1430 A N -0.520 122.247 122.820 -0.088 0.000 2.019 1430 A HA -0.170 4.151 4.320 0.001 0.000 0.219 1430 A C 2.306 179.774 177.584 -0.193 0.000 1.164 1430 A CA 2.276 54.242 52.037 -0.118 0.000 0.644 1430 A CB -0.602 18.330 19.000 -0.114 0.000 0.805 1430 A HN 0.367 nan 8.150 nan 0.000 0.449 1431 T N -1.746 112.665 114.554 -0.239 0.000 3.031 1431 T HA 0.014 4.364 4.350 0.001 0.000 0.254 1431 T C 2.196 176.623 174.700 -0.454 0.000 1.060 1431 T CA 1.025 62.898 62.100 -0.379 0.000 1.135 1431 T CB -0.002 68.630 68.868 -0.393 0.000 0.896 1431 T HN 0.467 nan 8.240 nan 0.000 0.472 1432 S N 1.189 116.710 115.700 -0.297 0.000 2.368 1432 S HA -0.137 4.334 4.470 0.001 0.000 0.225 1432 S C 2.319 176.856 174.600 -0.105 0.000 1.030 1432 S CA 1.914 59.990 58.200 -0.206 0.000 0.999 1432 S CB -0.518 62.588 63.200 -0.155 0.000 0.844 1432 S HN 0.467 nan 8.310 nan 0.000 0.459 1433 S N 1.239 116.881 115.700 -0.097 0.000 2.349 1433 S HA -0.150 4.320 4.470 0.001 0.000 0.216 1433 S C 2.040 176.634 174.600 -0.010 0.000 1.033 1433 S CA 1.765 59.938 58.200 -0.046 0.000 1.021 1433 S CB -0.734 62.437 63.200 -0.049 0.000 0.968 1433 S HN 0.505 nan 8.310 nan 0.000 0.426 1434 R N 0.673 121.147 120.500 -0.044 0.000 2.178 1434 R HA -0.130 4.210 4.340 0.001 0.000 0.257 1434 R C 1.987 178.384 176.300 0.162 0.000 1.163 1434 R CA 2.206 58.312 56.100 0.010 0.000 0.981 1434 R CB -1.446 28.820 30.300 -0.057 0.000 0.878 1434 R HN 0.685 nan 8.270 nan 0.000 0.454 1435 F N -0.402 119.542 119.950 -0.009 0.000 2.051 1435 F HA -0.222 4.305 4.527 0.001 0.000 0.296 1435 F C 2.701 178.498 175.800 -0.004 0.000 1.122 1435 F CA 1.218 59.229 58.000 0.020 0.000 1.201 1435 F CB -0.319 38.700 39.000 0.031 0.000 0.978 1435 F HN 0.148 nan 8.300 nan 0.000 0.472 1436 R N 0.869 121.475 120.500 0.176 0.000 2.096 1436 R HA -0.238 4.102 4.340 0.001 0.000 0.240 1436 R C 2.000 178.322 176.300 0.037 0.000 1.139 1436 R CA 1.551 57.677 56.100 0.043 0.000 0.952 1436 R CB -0.420 29.878 30.300 -0.003 0.000 0.854 1436 R HN 0.243 nan 8.270 nan 0.000 0.436 1437 M N 0.358 119.986 119.600 0.046 0.000 2.766 1437 M HA -0.020 4.460 4.480 0.001 0.000 0.208 1437 M C 0.747 177.075 176.300 0.047 0.000 1.152 1437 M CA 0.851 56.170 55.300 0.032 0.000 1.013 1437 M CB 0.200 32.813 32.600 0.021 0.000 1.813 1437 M HN 0.352 nan 8.290 nan 0.000 0.478 1438 M N -0.895 118.742 119.600 0.061 0.000 2.227 1438 M HA 0.151 4.631 4.480 0.001 0.000 0.422 1438 M C -0.209 176.117 176.300 0.044 0.000 0.947 1438 M CA 0.095 55.432 55.300 0.062 0.000 1.034 1438 M CB 0.581 33.242 32.600 0.101 0.000 2.060 1438 M HN 0.350 nan 8.290 nan 0.000 0.689 1439 N N 1.981 120.701 118.700 0.033 0.000 2.586 1439 N HA -0.184 4.557 4.740 0.001 0.000 0.282 1439 N C -1.301 174.226 175.510 0.028 0.000 1.171 1439 N CA -0.033 53.026 53.050 0.016 0.000 0.733 1439 N CB -0.183 38.311 38.487 0.011 0.000 0.910 1439 N HN 0.317 nan 8.380 nan 0.000 0.548 1440 L N 2.900 124.141 121.223 0.031 0.000 2.260 1440 L HA 0.306 4.646 4.340 0.001 0.000 0.289 1440 L C -0.097 176.906 176.870 0.221 0.000 1.057 1440 L CA -0.026 54.852 54.840 0.063 0.000 0.811 1440 L CB 1.351 43.366 42.059 -0.073 0.000 1.184 1440 L HN 0.275 nan 8.230 nan 0.000 0.429 1441 Q N 3.258 123.163 119.800 0.176 0.000 2.261 1441 Q HA 0.259 4.600 4.340 0.001 0.000 0.252 1441 Q C 1.261 177.418 176.000 0.262 0.000 0.915 1441 Q CA 0.602 56.543 55.803 0.229 0.000 0.915 1441 Q CB 1.576 30.382 28.738 0.113 0.000 1.204 1441 Q HN 0.928 nan 8.270 nan 0.000 0.421 1442 G N 3.590 112.644 108.800 0.422 0.000 2.728 1442 G HA2 -0.391 3.569 3.960 0.001 0.000 0.224 1442 G HA3 -0.391 3.569 3.960 0.001 0.000 0.224 1442 G C 0.991 175.852 174.900 -0.064 0.000 1.123 1442 G CA 1.691 46.879 45.100 0.146 0.000 0.755 1442 G HN 0.624 nan 8.290 nan 0.000 0.622 1443 E N 0.536 120.736 120.200 0.001 0.000 2.051 1443 E HA -0.016 4.334 4.350 0.001 0.000 0.192 1443 E C 2.424 178.978 176.600 -0.077 0.000 0.991 1443 E CA 1.330 57.708 56.400 -0.037 0.000 0.799 1443 E CB -0.304 29.392 29.700 -0.007 0.000 0.748 1443 E HN 0.658 nan 8.360 nan 0.000 0.449 1444 E N 0.059 120.226 120.200 -0.055 0.000 2.118 1444 E HA -0.199 4.151 4.350 0.001 0.000 0.195 1444 E C 1.759 178.278 176.600 -0.135 0.000 0.992 1444 E CA 0.850 57.208 56.400 -0.070 0.000 0.804 1444 E CB -0.246 29.430 29.700 -0.040 0.000 0.741 1444 E HN 0.185 nan 8.360 nan 0.000 0.458 1445 F N 1.956 121.651 119.950 -0.425 0.000 2.043 1445 F HA -0.266 4.261 4.527 0.001 0.000 0.297 1445 F C 2.273 177.828 175.800 -0.409 0.000 1.121 1445 F CA 1.759 59.385 58.000 -0.623 0.000 1.199 1445 F CB -0.847 37.318 39.000 -1.391 0.000 0.968 1445 F HN -0.078 nan 8.300 nan 0.000 0.478 1446 V N -1.302 118.233 119.914 -0.631 0.000 2.453 1446 V HA -0.323 3.797 4.120 0.001 0.000 0.252 1446 V C 2.500 178.408 176.094 -0.309 0.000 1.068 1446 V CA 1.742 63.719 62.300 -0.538 0.000 1.070 1446 V CB -2.199 29.479 31.823 -0.241 0.000 0.664 1446 V HN 0.557 nan 8.190 nan 0.000 0.461 1447 C N 0.088 119.256 119.300 -0.220 0.000 2.436 1447 C HA -0.014 4.447 4.460 0.001 0.000 0.277 1447 C C 2.769 177.683 174.990 -0.126 0.000 1.241 1447 C CA 1.234 60.175 59.018 -0.128 0.000 1.721 1447 C CB -1.170 26.518 27.740 -0.086 0.000 2.043 1447 C HN 0.596 nan 8.230 nan 0.000 0.472 1448 L N 0.915 122.043 121.223 -0.158 0.000 1.971 1448 L HA -0.236 4.104 4.340 0.001 0.000 0.215 1448 L C 2.654 179.445 176.870 -0.132 0.000 1.072 1448 L CA 1.995 56.773 54.840 -0.102 0.000 0.758 1448 L CB -0.744 41.281 42.059 -0.056 0.000 0.889 1448 L HN 0.392 nan 8.230 nan 0.000 0.433 1449 K N -0.496 119.702 120.400 -0.337 0.000 2.360 1449 K HA -0.143 4.177 4.320 0.001 0.000 0.201 1449 K C 1.696 178.301 176.600 0.008 0.000 1.046 1449 K CA 1.397 57.484 56.287 -0.332 0.000 0.940 1449 K CB 0.094 32.088 32.500 -0.842 0.000 0.748 1449 K HN 0.198 nan 8.250 nan 0.000 0.465 1450 S N -0.047 115.680 115.700 0.045 0.000 2.511 1450 S HA 0.185 4.656 4.470 0.001 0.000 0.214 1450 S C 1.427 176.052 174.600 0.043 0.000 0.997 1450 S CA -0.120 58.155 58.200 0.125 0.000 0.908 1450 S CB 0.211 63.428 63.200 0.028 0.000 0.803 1450 S HN 0.249 nan 8.310 nan 0.000 0.504 1451 I N 0.900 121.482 120.570 0.021 0.000 2.703 1451 I HA 0.051 4.221 4.170 0.001 0.000 0.259 1451 I C 1.729 177.868 176.117 0.037 0.000 1.151 1451 I CA 0.772 62.083 61.300 0.019 0.000 1.470 1451 I CB -0.150 37.857 38.000 0.013 0.000 1.112 1451 I HN 0.218 nan 8.210 nan 0.000 0.437 1452 I N 0.532 121.130 120.570 0.047 0.000 2.315 1452 I HA -0.268 3.903 4.170 0.001 0.000 0.248 1452 I C 2.500 178.664 176.117 0.078 0.000 1.117 1452 I CA 1.110 62.443 61.300 0.054 0.000 1.404 1452 I CB -0.142 37.882 38.000 0.040 0.000 1.071 1452 I HN 0.249 nan 8.210 nan 0.000 0.419 1453 L N 0.606 121.898 121.223 0.115 0.000 2.083 1453 L HA -0.151 4.190 4.340 0.001 0.000 0.209 1453 L C 2.077 179.014 176.870 0.112 0.000 1.083 1453 L CA 1.977 56.897 54.840 0.132 0.000 0.752 1453 L CB -0.257 41.867 42.059 0.109 0.000 0.899 1453 L HN 0.143 nan 8.230 nan 0.000 0.433 1454 L N -1.205 120.060 121.223 0.071 0.000 2.408 1454 L HA 0.096 4.436 4.340 0.001 0.000 0.215 1454 L C 1.939 178.789 176.870 -0.033 0.000 1.081 1454 L CA 0.577 55.447 54.840 0.050 0.000 0.840 1454 L CB -0.365 41.712 42.059 0.031 0.000 1.002 1454 L HN 0.311 nan 8.230 nan 0.000 0.468 1455 N N -0.296 118.387 118.700 -0.028 0.000 2.402 1455 N HA -0.037 4.704 4.740 0.001 0.000 0.174 1455 N C 0.511 175.957 175.510 -0.106 0.000 1.027 1455 N CA 0.261 53.262 53.050 -0.083 0.000 0.891 1455 N CB 0.345 38.830 38.487 -0.003 0.000 1.016 1455 N HN -0.044 nan 8.380 nan 0.000 0.439 1456 S N 0.138 115.828 115.700 -0.016 0.000 2.443 1456 S HA 0.421 4.891 4.470 0.001 0.000 0.284 1456 S C 0.562 175.162 174.600 0.000 0.000 1.206 1456 S CA 0.222 58.436 58.200 0.023 0.000 1.074 1456 S CB 0.011 63.248 63.200 0.062 0.000 0.963 1456 S HN 0.575 nan 8.310 nan 0.000 0.501 1457 G N 2.078 110.868 108.800 -0.016 0.000 2.289 1457 G HA2 -0.208 3.752 3.960 0.001 0.000 0.280 1457 G HA3 -0.208 3.752 3.960 0.001 0.000 0.280 1457 G C 0.415 175.140 174.900 -0.292 0.000 1.089 1457 G CA 0.218 45.314 45.100 -0.005 0.000 0.939 1457 G HN 0.777 nan 8.290 nan 0.000 0.499 1458 V N -1.185 118.369 119.914 -0.599 0.000 3.085 1458 V HA 0.222 4.342 4.120 0.001 0.000 0.245 1458 V C 2.092 177.576 176.094 -1.016 0.000 1.114 1458 V CA 2.045 63.763 62.300 -0.970 0.000 1.108 1458 V CB -0.260 31.085 31.823 -0.795 0.000 0.798 1458 V HN 0.540 nan 8.190 nan 0.000 0.471 1459 Y N 1.817 121.948 120.300 -0.282 0.000 2.206 1459 Y HA 0.062 4.613 4.550 0.001 0.000 0.292 1459 Y C 1.837 177.647 175.900 -0.150 0.000 1.123 1459 Y CA 1.041 59.053 58.100 -0.146 0.000 1.142 1459 Y CB -1.032 37.408 38.460 -0.034 0.000 1.006 1459 Y HN 0.349 nan 8.280 nan 0.000 0.518 1460 T N -0.018 114.542 114.554 0.010 0.000 2.817 1460 T HA 0.264 4.614 4.350 0.001 0.000 0.295 1460 T C -0.729 173.945 174.700 -0.044 0.000 0.958 1460 T CA -0.003 62.146 62.100 0.082 0.000 1.157 1460 T CB -0.279 68.695 68.868 0.176 0.000 0.898 1460 T HN 0.212 nan 8.240 nan 0.000 0.536 1461 F N 2.414 122.332 119.950 -0.054 0.000 2.654 1461 F HA 0.310 4.838 4.527 0.001 0.000 0.308 1461 F C 0.486 176.215 175.800 -0.118 0.000 1.108 1461 F CA -1.617 56.224 58.000 -0.264 0.000 0.957 1461 F CB 1.969 40.833 39.000 -0.226 0.000 1.309 1461 F HN 0.497 nan 8.300 nan 0.000 0.446 1462 L N 1.954 123.199 121.223 0.037 0.000 1.913 1462 L HA -0.034 4.306 4.340 0.001 0.000 0.217 1462 L C 1.223 178.058 176.870 -0.059 0.000 1.086 1462 L CA 1.826 56.663 54.840 -0.004 0.000 0.772 1462 L CB -0.843 41.186 42.059 -0.050 0.000 0.887 1462 L HN 0.614 nan 8.230 nan 0.000 0.432 1463 S N -1.083 114.524 115.700 -0.154 0.000 2.569 1463 S HA 0.048 4.519 4.470 0.001 0.000 0.274 1463 S C 0.651 175.211 174.600 -0.065 0.000 1.353 1463 S CA 0.246 58.374 58.200 -0.119 0.000 1.023 1463 S CB 0.612 63.717 63.200 -0.158 0.000 0.876 1463 S HN 0.393 nan 8.310 nan 0.000 0.540 1464 S N 0.468 116.145 115.700 -0.038 0.000 2.780 1464 S HA 0.201 4.671 4.470 0.001 0.000 0.248 1464 S C 0.898 175.492 174.600 -0.009 0.000 1.036 1464 S CA -0.044 58.152 58.200 -0.006 0.000 1.061 1464 S CB 0.137 63.342 63.200 0.007 0.000 1.037 1464 S HN 0.982 nan 8.310 nan 0.000 0.584 1465 T N 0.423 114.960 114.554 -0.028 0.000 3.133 1465 T HA 0.373 4.723 4.350 0.001 0.000 0.329 1465 T C 1.169 175.857 174.700 -0.021 0.000 1.248 1465 T CA -0.479 61.607 62.100 -0.024 0.000 0.933 1465 T CB -0.104 68.743 68.868 -0.035 0.000 1.943 1465 T HN -0.069 nan 8.240 nan 0.000 0.572 1466 L N 0.140 121.349 121.223 -0.024 0.000 2.395 1466 L HA 0.168 4.508 4.340 0.001 0.000 0.218 1466 L C 2.462 179.311 176.870 -0.035 0.000 1.130 1466 L CA 1.239 56.067 54.840 -0.019 0.000 0.826 1466 L CB -1.369 40.680 42.059 -0.016 0.000 0.941 1466 L HN 0.647 nan 8.230 nan 0.000 0.451 1467 K N 0.506 120.872 120.400 -0.056 0.000 2.025 1467 K HA -0.132 4.189 4.320 0.001 0.000 0.207 1467 K C 2.359 178.890 176.600 -0.115 0.000 1.049 1467 K CA 1.784 58.019 56.287 -0.086 0.000 0.933 1467 K CB -0.440 32.000 32.500 -0.100 0.000 0.714 1467 K HN 0.023 nan 8.250 nan 0.000 0.438 1468 S N -0.313 115.316 115.700 -0.117 0.000 2.399 1468 S HA -0.023 4.447 4.470 0.001 0.000 0.231 1468 S C 1.609 176.188 174.600 -0.036 0.000 1.022 1468 S CA 0.870 58.982 58.200 -0.148 0.000 0.983 1468 S CB -0.171 62.978 63.200 -0.085 0.000 0.803 1468 S HN 0.301 nan 8.310 nan 0.000 0.480 1469 L N 1.234 122.451 121.223 -0.010 0.000 2.240 1469 L HA 0.103 4.443 4.340 0.001 0.000 0.211 1469 L C 2.277 179.152 176.870 0.008 0.000 1.106 1469 L CA 1.306 56.158 54.840 0.021 0.000 0.793 1469 L CB -1.244 40.831 42.059 0.027 0.000 0.927 1469 L HN 0.458 nan 8.230 nan 0.000 0.446 1470 E N -0.081 120.107 120.200 -0.019 0.000 2.077 1470 E HA -0.204 4.147 4.350 0.001 0.000 0.193 1470 E C 1.913 178.511 176.600 -0.004 0.000 0.989 1470 E CA 1.072 57.461 56.400 -0.019 0.000 0.800 1470 E CB 0.107 29.777 29.700 -0.051 0.000 0.746 1470 E HN 0.542 nan 8.360 nan 0.000 0.452 1471 E N 1.092 121.276 120.200 -0.027 0.000 2.028 1471 E HA -0.192 4.159 4.350 0.001 0.000 0.191 1471 E C 2.110 178.742 176.600 0.053 0.000 0.988 1471 E CA 0.726 57.136 56.400 0.016 0.000 0.799 1471 E CB -0.136 29.512 29.700 -0.086 0.000 0.755 1471 E HN 0.085 nan 8.360 nan 0.000 0.447 1472 K N 1.163 121.592 120.400 0.048 0.000 2.077 1472 K HA -0.301 4.020 4.320 0.001 0.000 0.213 1472 K C 1.684 178.064 176.600 -0.367 0.000 1.051 1472 K CA 2.281 58.470 56.287 -0.162 0.000 0.929 1472 K CB -0.137 32.316 32.500 -0.078 0.000 0.715 1472 K HN -0.023 nan 8.250 nan 0.000 0.451 1473 D N -0.702 119.643 120.400 -0.092 0.000 2.087 1473 D HA -0.206 4.435 4.640 0.001 0.000 0.192 1473 D C 1.905 178.242 176.300 0.060 0.000 0.993 1473 D CA 1.515 55.532 54.000 0.029 0.000 0.828 1473 D CB -0.204 40.638 40.800 0.069 0.000 0.968 1473 D HN 0.357 nan 8.370 nan 0.000 0.448 1474 H N 0.181 119.232 119.070 -0.032 0.000 2.321 1474 H HA -0.151 4.406 4.556 0.001 0.000 0.295 1474 H C 2.241 177.564 175.328 -0.010 0.000 1.102 1474 H CA 1.578 57.615 56.048 -0.018 0.000 1.266 1474 H CB -0.189 29.552 29.762 -0.035 0.000 1.363 1474 H HN 0.191 nan 8.280 nan 0.000 0.492 1475 I N 0.086 120.574 120.570 -0.136 0.000 2.113 1475 I HA -0.308 3.863 4.170 0.001 0.000 0.238 1475 I C 2.445 178.522 176.117 -0.067 0.000 1.070 1475 I CA 1.613 62.806 61.300 -0.179 0.000 1.332 1475 I CB -0.767 37.153 38.000 -0.132 0.000 1.044 1475 I HN 0.385 nan 8.210 nan 0.000 0.402 1476 H N -0.039 119.001 119.070 -0.050 0.000 2.394 1476 H HA -0.239 4.317 4.556 0.001 0.000 0.297 1476 H C 2.498 177.805 175.328 -0.036 0.000 1.113 1476 H CA 1.387 57.419 56.048 -0.027 0.000 1.277 1476 H CB -0.044 29.724 29.762 0.010 0.000 1.370 1476 H HN 0.250 nan 8.280 nan 0.000 0.506 1477 R N 0.446 120.991 120.500 0.075 0.000 2.062 1477 R HA -0.092 4.249 4.340 0.001 0.000 0.229 1477 R C 2.258 178.532 176.300 -0.043 0.000 1.128 1477 R CA 1.128 57.240 56.100 0.020 0.000 0.960 1477 R CB -0.081 30.237 30.300 0.031 0.000 0.855 1477 R HN 0.088 nan 8.270 nan 0.000 0.432 1478 V N 1.423 121.248 119.914 -0.148 0.000 2.358 1478 V HA -0.226 3.894 4.120 0.001 0.000 0.246 1478 V C 2.358 178.407 176.094 -0.076 0.000 1.047 1478 V CA 1.517 63.726 62.300 -0.151 0.000 1.035 1478 V CB -0.361 31.300 31.823 -0.270 0.000 0.658 1478 V HN 0.355 nan 8.190 nan 0.000 0.452 1479 L N -0.360 120.832 121.223 -0.052 0.000 2.079 1479 L HA -0.215 4.125 4.340 0.001 0.000 0.210 1479 L C 2.425 179.294 176.870 -0.003 0.000 1.081 1479 L CA 1.619 56.451 54.840 -0.014 0.000 0.752 1479 L CB -0.689 41.382 42.059 0.021 0.000 0.896 1479 L HN 0.373 nan 8.230 nan 0.000 0.433 1480 D N 0.119 120.522 120.400 0.004 0.000 2.149 1480 D HA -0.230 4.410 4.640 0.001 0.000 0.198 1480 D C 2.125 178.428 176.300 0.004 0.000 0.990 1480 D CA 1.306 55.310 54.000 0.008 0.000 0.839 1480 D CB 0.108 40.916 40.800 0.014 0.000 0.948 1480 D HN 0.296 nan 8.370 nan 0.000 0.460 1481 K N 0.708 121.104 120.400 -0.006 0.000 2.057 1481 K HA -0.084 4.236 4.320 0.001 0.000 0.206 1481 K C 2.293 178.888 176.600 -0.009 0.000 1.050 1481 K CA 0.743 57.026 56.287 -0.006 0.000 0.935 1481 K CB -0.157 32.334 32.500 -0.016 0.000 0.715 1481 K HN 0.073 nan 8.250 nan 0.000 0.439 1482 I N 1.441 122.000 120.570 -0.018 0.000 2.335 1482 I HA -0.261 3.909 4.170 0.001 0.000 0.251 1482 I C 1.971 178.085 176.117 -0.005 0.000 1.129 1482 I CA 1.375 62.663 61.300 -0.021 0.000 1.402 1482 I CB -0.534 37.450 38.000 -0.026 0.000 1.069 1482 I HN 0.255 nan 8.210 nan 0.000 0.424 1483 T N 0.212 114.769 114.554 0.006 0.000 2.746 1483 T HA -0.160 4.190 4.350 0.001 0.000 0.267 1483 T C 1.467 176.186 174.700 0.031 0.000 1.039 1483 T CA 1.581 63.692 62.100 0.019 0.000 1.142 1483 T CB -0.280 68.600 68.868 0.020 0.000 0.866 1483 T HN 0.373 nan 8.240 nan 0.000 0.444 1484 D N 1.068 121.487 120.400 0.030 0.000 2.149 1484 D HA -0.037 4.603 4.640 0.001 0.000 0.201 1484 D C 2.211 178.548 176.300 0.061 0.000 0.972 1484 D CA 1.037 55.067 54.000 0.050 0.000 0.835 1484 D CB -0.661 40.165 40.800 0.044 0.000 0.966 1484 D HN 0.329 nan 8.370 nan 0.000 0.476 1485 T N 1.076 115.640 114.554 0.016 0.000 2.929 1485 T HA -0.023 4.328 4.350 0.001 0.000 0.271 1485 T C 2.132 176.837 174.700 0.007 0.000 1.085 1485 T CA 0.482 62.567 62.100 -0.025 0.000 1.125 1485 T CB 0.038 68.870 68.868 -0.059 0.000 0.874 1485 T HN 0.133 nan 8.240 nan 0.000 0.494 1486 L N 0.010 121.250 121.223 0.028 0.000 2.130 1486 L HA 0.074 4.415 4.340 0.001 0.000 0.200 1486 L C 2.414 179.328 176.870 0.072 0.000 1.075 1486 L CA 0.499 55.361 54.840 0.038 0.000 0.768 1486 L CB -0.334 41.739 42.059 0.023 0.000 0.933 1486 L HN 0.161 nan 8.230 nan 0.000 0.451 1487 I N -0.074 120.543 120.570 0.078 0.000 2.194 1487 I HA -0.368 3.802 4.170 0.001 0.000 0.246 1487 I C 2.585 178.759 176.117 0.095 0.000 1.093 1487 I CA 1.653 63.001 61.300 0.080 0.000 1.355 1487 I CB -1.356 36.693 38.000 0.081 0.000 1.046 1487 I HN 0.440 nan 8.210 nan 0.000 0.413 1488 H N 1.602 120.677 119.070 0.009 0.000 2.274 1488 H HA -0.189 4.368 4.556 0.001 0.000 0.296 1488 H C 2.264 177.593 175.328 0.002 0.000 1.061 1488 H CA 1.846 57.897 56.048 0.004 0.000 1.226 1488 H CB -0.797 28.966 29.762 0.003 0.000 1.370 1488 H HN 0.240 nan 8.280 nan 0.000 0.507 1489 L N 0.123 121.583 121.223 0.395 0.000 2.563 1489 L HA -0.189 4.151 4.340 0.001 0.000 0.230 1489 L C 2.461 179.401 176.870 0.117 0.000 1.162 1489 L CA 0.892 55.881 54.840 0.248 0.000 0.812 1489 L CB -0.145 41.976 42.059 0.103 0.000 0.935 1489 L HN 0.391 nan 8.230 nan 0.000 0.451 1490 M N -2.727 116.921 119.600 0.080 0.000 2.534 1490 M HA 0.045 4.526 4.480 0.001 0.000 0.263 1490 M C 2.071 178.371 176.300 0.000 0.000 1.152 1490 M CA 0.853 56.173 55.300 0.034 0.000 1.145 1490 M CB 0.121 32.738 32.600 0.029 0.000 1.333 1490 M HN 0.304 nan 8.290 nan 0.000 0.477 1491 A N -0.504 122.301 122.820 -0.025 0.000 2.030 1491 A HA 0.022 4.343 4.320 0.001 0.000 0.215 1491 A C 1.730 179.267 177.584 -0.078 0.000 1.164 1491 A CA 0.740 52.736 52.037 -0.068 0.000 0.697 1491 A CB -0.072 18.866 19.000 -0.104 0.000 0.827 1491 A HN 0.094 nan 8.150 nan 0.000 0.457 1492 K N 0.739 121.093 120.400 -0.078 0.000 3.025 1492 K HA 0.312 4.632 4.320 0.001 0.000 0.260 1492 K C 0.267 176.868 176.600 0.003 0.000 1.023 1492 K CA 0.632 56.890 56.287 -0.047 0.000 1.194 1492 K CB -0.557 31.963 32.500 0.034 0.000 1.094 1492 K HN 0.432 nan 8.250 nan 0.000 0.460 1493 A N -1.474 121.340 122.820 -0.009 0.000 2.449 1493 A HA 0.296 4.616 4.320 0.001 0.000 0.238 1493 A C 0.661 178.240 177.584 -0.009 0.000 1.009 1493 A CA 0.217 52.255 52.037 0.001 0.000 1.136 1493 A CB 0.035 19.044 19.000 0.014 0.000 1.152 1493 A HN 0.229 nan 8.150 nan 0.000 0.469 1494 G N 0.235 109.022 108.800 -0.021 0.000 2.272 1494 G HA2 -0.192 3.768 3.960 0.001 0.000 0.280 1494 G HA3 -0.192 3.768 3.960 0.001 0.000 0.280 1494 G C -0.143 174.742 174.900 -0.026 0.000 1.067 1494 G CA 0.503 45.589 45.100 -0.024 0.000 0.902 1494 G HN 0.751 nan 8.290 nan 0.000 0.500 1495 L N 1.714 122.918 121.223 -0.032 0.000 2.262 1495 L HA 0.407 4.747 4.340 0.001 0.000 0.288 1495 L C 1.520 178.354 176.870 -0.059 0.000 1.035 1495 L CA -0.336 54.482 54.840 -0.036 0.000 0.820 1495 L CB 1.243 43.285 42.059 -0.028 0.000 1.204 1495 L HN 0.481 nan 8.230 nan 0.000 0.424 1496 T N 0.656 115.175 114.554 -0.059 0.000 2.923 1496 T HA -0.067 4.284 4.350 0.001 0.000 0.320 1496 T C 1.515 176.133 174.700 -0.136 0.000 1.074 1496 T CA -0.089 61.964 62.100 -0.079 0.000 1.131 1496 T CB 0.544 69.374 68.868 -0.064 0.000 1.058 1496 T HN 0.492 nan 8.240 nan 0.000 0.535 1497 L N 1.664 122.786 121.223 -0.169 0.000 2.089 1497 L HA -0.198 4.143 4.340 0.001 0.000 0.213 1497 L C 3.145 179.661 176.870 -0.589 0.000 1.079 1497 L CA 2.199 56.849 54.840 -0.316 0.000 0.758 1497 L CB -0.733 41.185 42.059 -0.236 0.000 0.891 1497 L HN 0.870 nan 8.230 nan 0.000 0.433 1498 Q N -0.007 119.590 119.800 -0.339 0.000 2.084 1498 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 1498 Q C 2.232 178.146 176.000 -0.144 0.000 0.978 1498 Q CA 1.591 57.258 55.803 -0.227 0.000 0.844 1498 Q CB 0.014 28.720 28.738 -0.054 0.000 0.898 1498 Q HN 0.573 nan 8.270 nan 0.000 0.426 1499 Q N -0.239 119.493 119.800 -0.112 0.000 2.170 1499 Q HA -0.214 4.126 4.340 0.001 0.000 0.203 1499 Q C 2.059 178.036 176.000 -0.038 0.000 0.976 1499 Q CA 1.463 57.236 55.803 -0.050 0.000 0.858 1499 Q CB 0.008 28.722 28.738 -0.040 0.000 0.907 1499 Q HN 0.520 nan 8.270 nan 0.000 0.433 1500 Q N -0.450 119.296 119.800 -0.091 0.000 2.046 1500 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 1500 Q C 1.712 177.752 176.000 0.067 0.000 0.975 1500 Q CA 1.195 56.980 55.803 -0.029 0.000 0.836 1500 Q CB -0.118 28.585 28.738 -0.057 0.000 0.896 1500 Q HN 0.588 nan 8.270 nan 0.000 0.428 1501 H N 0.681 119.758 119.070 0.012 0.000 2.280 1501 H HA -0.178 4.379 4.556 0.001 0.000 0.294 1501 H C 2.343 177.680 175.328 0.015 0.000 1.064 1501 H CA 1.306 57.361 56.048 0.012 0.000 1.208 1501 H CB -0.049 29.719 29.762 0.009 0.000 1.365 1501 H HN 0.266 nan 8.280 nan 0.000 0.511 1502 Q N 0.349 120.251 119.800 0.170 0.000 2.156 1502 Q HA -0.258 4.082 4.340 0.001 0.000 0.211 1502 Q C 2.437 178.480 176.000 0.071 0.000 0.995 1502 Q CA 1.559 57.418 55.803 0.093 0.000 0.877 1502 Q CB -0.249 28.527 28.738 0.064 0.000 0.920 1502 Q HN 0.408 nan 8.270 nan 0.000 0.416 1503 R N 0.472 121.009 120.500 0.063 0.000 2.090 1503 R HA -0.134 4.207 4.340 0.001 0.000 0.228 1503 R C 2.316 178.653 176.300 0.061 0.000 1.110 1503 R CA 0.716 56.849 56.100 0.054 0.000 0.973 1503 R CB -0.173 30.151 30.300 0.040 0.000 0.869 1503 R HN 0.221 nan 8.270 nan 0.000 0.440 1504 L N 0.918 122.183 121.223 0.071 0.000 1.989 1504 L HA -0.145 4.195 4.340 0.001 0.000 0.211 1504 L C 2.292 179.198 176.870 0.061 0.000 1.071 1504 L CA 2.325 57.205 54.840 0.067 0.000 0.749 1504 L CB -0.809 41.297 42.059 0.079 0.000 0.890 1504 L HN 0.231 nan 8.230 nan 0.000 0.431 1505 A N -1.002 121.855 122.820 0.062 0.000 1.892 1505 A HA -0.322 3.998 4.320 0.001 0.000 0.218 1505 A C 2.170 179.789 177.584 0.058 0.000 1.188 1505 A CA 2.176 54.244 52.037 0.052 0.000 0.631 1505 A CB -0.790 18.238 19.000 0.047 0.000 0.822 1505 A HN 0.716 nan 8.150 nan 0.000 0.447 1506 Q N -0.751 119.086 119.800 0.062 0.000 2.181 1506 Q HA -0.140 4.201 4.340 0.001 0.000 0.205 1506 Q C 2.071 178.128 176.000 0.095 0.000 0.980 1506 Q CA 1.490 57.335 55.803 0.071 0.000 0.862 1506 Q CB -0.335 28.444 28.738 0.069 0.000 0.905 1506 Q HN 0.694 nan 8.270 nan 0.000 0.429 1507 L N -0.051 121.227 121.223 0.092 0.000 2.068 1507 L HA -0.140 4.201 4.340 0.001 0.000 0.204 1507 L C 2.169 179.107 176.870 0.113 0.000 1.076 1507 L CA 0.818 55.726 54.840 0.113 0.000 0.753 1507 L CB -0.263 41.841 42.059 0.074 0.000 0.910 1507 L HN 0.193 nan 8.230 nan 0.000 0.439 1508 L N -0.553 120.720 121.223 0.082 0.000 2.265 1508 L HA -0.196 4.144 4.340 0.001 0.000 0.215 1508 L C 2.302 179.220 176.870 0.080 0.000 1.117 1508 L CA 0.879 55.764 54.840 0.075 0.000 0.782 1508 L CB -0.389 41.704 42.059 0.056 0.000 0.914 1508 L HN 0.323 nan 8.230 nan 0.000 0.441 1509 L N -0.754 120.517 121.223 0.080 0.000 2.270 1509 L HA -0.116 4.224 4.340 0.001 0.000 0.210 1509 L C 2.446 179.373 176.870 0.094 0.000 1.104 1509 L CA 0.305 55.190 54.840 0.074 0.000 0.804 1509 L CB -0.185 41.909 42.059 0.059 0.000 0.937 1509 L HN 0.216 nan 8.230 nan 0.000 0.450 1510 I N 0.307 120.949 120.570 0.119 0.000 2.286 1510 I HA -0.281 3.890 4.170 0.001 0.000 0.248 1510 I C 2.472 178.671 176.117 0.137 0.000 1.115 1510 I CA 1.556 62.934 61.300 0.131 0.000 1.392 1510 I CB -0.970 37.173 38.000 0.237 0.000 1.065 1510 I HN 0.282 nan 8.210 nan 0.000 0.418 1511 L N 0.048 121.352 121.223 0.134 0.000 2.191 1511 L HA -0.209 4.132 4.340 0.001 0.000 0.212 1511 L C 2.728 179.658 176.870 0.100 0.000 1.103 1511 L CA 1.285 56.193 54.840 0.113 0.000 0.769 1511 L CB -0.693 41.424 42.059 0.097 0.000 0.908 1511 L HN 0.271 nan 8.230 nan 0.000 0.438 1512 S N -0.805 114.955 115.700 0.100 0.000 2.348 1512 S HA -0.260 4.211 4.470 0.001 0.000 0.221 1512 S C 2.172 176.836 174.600 0.106 0.000 1.033 1512 S CA 1.185 59.436 58.200 0.085 0.000 1.010 1512 S CB -0.336 62.905 63.200 0.069 0.000 0.891 1512 S HN 0.511 nan 8.310 nan 0.000 0.442 1513 H N 0.715 119.807 119.070 0.037 0.000 2.395 1513 H HA 0.078 4.634 4.556 0.001 0.000 0.299 1513 H C 2.116 177.483 175.328 0.065 0.000 1.070 1513 H CA 1.581 57.665 56.048 0.060 0.000 1.356 1513 H CB -0.266 29.511 29.762 0.024 0.000 1.401 1513 H HN 0.462 nan 8.280 nan 0.000 0.524 1514 I N 0.239 120.901 120.570 0.153 0.000 2.264 1514 I HA -0.259 3.911 4.170 0.001 0.000 0.248 1514 I C 2.905 179.028 176.117 0.009 0.000 1.111 1514 I CA 0.743 62.081 61.300 0.065 0.000 1.382 1514 I CB -0.254 37.780 38.000 0.057 0.000 1.060 1514 I HN 0.117 nan 8.210 nan 0.000 0.418 1515 R N 0.348 120.869 120.500 0.035 0.000 2.073 1515 R HA -0.235 4.105 4.340 0.001 0.000 0.234 1515 R C 2.352 178.658 176.300 0.010 0.000 1.134 1515 R CA 1.871 57.985 56.100 0.023 0.000 0.952 1515 R CB -0.826 29.507 30.300 0.055 0.000 0.850 1515 R HN 0.393 nan 8.270 nan 0.000 0.433 1516 H N 0.391 119.386 119.070 -0.123 0.000 2.319 1516 H HA -0.044 4.513 4.556 0.001 0.000 0.299 1516 H C 2.136 177.346 175.328 -0.197 0.000 1.092 1516 H CA 2.403 58.338 56.048 -0.188 0.000 1.302 1516 H CB -0.225 29.338 29.762 -0.332 0.000 1.373 1516 H HN 0.087 nan 8.280 nan 0.000 0.497 1517 M N -1.066 118.384 119.600 -0.249 0.000 2.117 1517 M HA -0.198 4.283 4.480 0.001 0.000 0.262 1517 M C 2.649 178.817 176.300 -0.220 0.000 1.065 1517 M CA 1.762 56.911 55.300 -0.251 0.000 1.114 1517 M CB -0.256 32.269 32.600 -0.125 0.000 1.361 1517 M HN 0.300 nan 8.290 nan 0.000 0.408 1518 S N 0.580 116.167 115.700 -0.188 0.000 2.359 1518 S HA -0.163 4.307 4.470 0.001 0.000 0.224 1518 S C 1.670 176.143 174.600 -0.211 0.000 1.035 1518 S CA 1.563 59.627 58.200 -0.226 0.000 1.018 1518 S CB -0.297 62.773 63.200 -0.215 0.000 0.876 1518 S HN 0.445 nan 8.310 nan 0.000 0.448 1519 N N 1.414 120.018 118.700 -0.159 0.000 2.043 1519 N HA -0.062 4.679 4.740 0.001 0.000 0.193 1519 N C 1.752 177.182 175.510 -0.134 0.000 1.037 1519 N CA 1.198 54.180 53.050 -0.115 0.000 0.851 1519 N CB -0.393 38.063 38.487 -0.051 0.000 1.027 1519 N HN 0.353 nan 8.380 nan 0.000 0.422 1520 K N 0.542 120.811 120.400 -0.218 0.000 2.057 1520 K HA -0.019 4.301 4.320 0.001 0.000 0.207 1520 K C 2.035 178.592 176.600 -0.071 0.000 1.049 1520 K CA 1.021 57.208 56.287 -0.167 0.000 0.931 1520 K CB -0.997 31.343 32.500 -0.267 0.000 0.714 1520 K HN 0.285 nan 8.250 nan 0.000 0.440 1521 G N 0.850 109.583 108.800 -0.111 0.000 2.448 1521 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 1521 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 1521 G C 1.617 176.514 174.900 -0.005 0.000 1.127 1521 G CA 0.798 45.856 45.100 -0.070 0.000 0.766 1521 G HN 0.228 nan 8.290 nan 0.000 0.552 1522 M N -0.133 119.435 119.600 -0.052 0.000 2.193 1522 M HA 0.161 4.641 4.480 0.001 0.000 0.265 1522 M C 2.332 178.694 176.300 0.103 0.000 1.071 1522 M CA 0.988 56.286 55.300 -0.004 0.000 1.140 1522 M CB 0.013 32.532 32.600 -0.134 0.000 1.369 1522 M HN -0.014 nan 8.290 nan 0.000 0.423 1523 E N -0.365 119.875 120.200 0.067 0.000 2.118 1523 E HA -0.261 4.089 4.350 0.001 0.000 0.195 1523 E C 2.039 178.735 176.600 0.161 0.000 0.992 1523 E CA 1.202 57.661 56.400 0.097 0.000 0.804 1523 E CB -0.677 29.047 29.700 0.041 0.000 0.741 1523 E HN 0.623 nan 8.360 nan 0.000 0.458 1524 H N 0.394 119.494 119.070 0.051 0.000 2.293 1524 H HA -0.107 4.449 4.556 0.001 0.000 0.300 1524 H C 2.247 177.616 175.328 0.069 0.000 1.082 1524 H CA 1.408 57.484 56.048 0.047 0.000 1.308 1524 H CB -0.254 29.519 29.762 0.017 0.000 1.375 1524 H HN 0.132 nan 8.280 nan 0.000 0.495 1525 L N 0.572 121.989 121.223 0.323 0.000 2.046 1525 L HA -0.198 4.142 4.340 0.001 0.000 0.208 1525 L C 2.512 179.470 176.870 0.146 0.000 1.077 1525 L CA 1.809 56.801 54.840 0.253 0.000 0.747 1525 L CB -1.191 41.021 42.059 0.256 0.000 0.896 1525 L HN 0.276 nan 8.230 nan 0.000 0.432 1526 Y N -0.837 119.503 120.300 0.067 0.000 2.256 1526 Y HA -0.305 4.245 4.550 0.001 0.000 0.288 1526 Y C 2.831 178.727 175.900 -0.007 0.000 1.155 1526 Y CA 1.871 59.994 58.100 0.037 0.000 1.203 1526 Y CB -0.256 38.230 38.460 0.043 0.000 0.980 1526 Y HN 0.404 nan 8.280 nan 0.000 0.530 1527 S N -0.347 115.353 115.700 0.000 0.000 2.345 1527 S HA -0.168 4.303 4.470 0.001 0.000 0.220 1527 S C 1.945 176.437 174.600 -0.180 0.000 1.031 1527 S CA 1.500 59.633 58.200 -0.112 0.000 0.996 1527 S CB -0.300 62.810 63.200 -0.150 0.000 0.882 1527 S HN 0.474 nan 8.310 nan 0.000 0.445 1528 M N 1.622 121.123 119.600 -0.166 0.000 2.358 1528 M HA 0.003 4.483 4.480 0.001 0.000 0.264 1528 M C 2.088 178.317 176.300 -0.119 0.000 1.064 1528 M CA 1.256 56.482 55.300 -0.122 0.000 1.093 1528 M CB -1.194 31.379 32.600 -0.045 0.000 1.401 1528 M HN 0.494 nan 8.290 nan 0.000 0.440 1529 K N -0.023 120.282 120.400 -0.159 0.000 2.062 1529 K HA -0.090 4.230 4.320 0.001 0.000 0.205 1529 K C 1.850 178.316 176.600 -0.223 0.000 1.051 1529 K CA 1.259 57.434 56.287 -0.187 0.000 0.941 1529 K CB 0.063 32.420 32.500 -0.239 0.000 0.719 1529 K HN 0.313 nan 8.250 nan 0.000 0.440 1530 C N 1.529 120.651 119.300 -0.296 0.000 2.472 1530 C HA 0.089 4.550 4.460 0.001 0.000 0.278 1530 C C 1.712 176.617 174.990 -0.141 0.000 1.447 1530 C CA 0.437 59.313 59.018 -0.237 0.000 1.773 1530 C CB -0.581 27.005 27.740 -0.258 0.000 1.793 1530 C HN 0.393 nan 8.230 nan 0.000 0.544 1531 K N 0.686 121.010 120.400 -0.128 0.000 2.372 1531 K HA 0.097 4.417 4.320 0.001 0.000 0.200 1531 K C -0.165 176.387 176.600 -0.080 0.000 1.022 1531 K CA -0.086 56.146 56.287 -0.091 0.000 1.125 1531 K CB -0.021 32.426 32.500 -0.088 0.000 0.855 1531 K HN 0.420 nan 8.250 nan 0.000 0.524 1532 N N 1.234 119.879 118.700 -0.091 0.000 2.667 1532 N HA -0.150 4.591 4.740 0.001 0.000 0.263 1532 N C 0.246 175.715 175.510 -0.069 0.000 1.038 1532 N CA 0.559 53.562 53.050 -0.079 0.000 0.749 1532 N CB -0.934 37.514 38.487 -0.065 0.000 0.892 1532 N HN 0.020 nan 8.380 nan 0.000 0.546 1533 V N -1.470 118.401 119.914 -0.071 0.000 3.539 1533 V HA 0.114 4.235 4.120 0.001 0.000 0.262 1533 V C 0.905 176.962 176.094 -0.061 0.000 1.381 1533 V CA 0.240 62.507 62.300 -0.055 0.000 1.060 1533 V CB 1.247 33.043 31.823 -0.045 0.000 0.842 1533 V HN 0.305 nan 8.190 nan 0.000 0.445 1534 V N 2.828 122.695 119.914 -0.078 0.000 2.465 1534 V HA 0.497 4.617 4.120 0.001 0.000 0.279 1534 V C -2.079 173.903 176.094 -0.187 0.000 1.045 1534 V CA -1.829 60.410 62.300 -0.102 0.000 0.938 1534 V CB 1.607 33.392 31.823 -0.063 0.000 0.986 1534 V HN 0.249 nan 8.190 nan 0.000 0.467 1535 P HA 0.159 nan 4.420 nan 0.000 0.273 1535 P C -0.383 176.643 177.300 -0.458 0.000 1.258 1535 P CA -0.237 62.563 63.100 -0.499 0.000 0.802 1535 P CB 0.324 31.421 31.700 -1.006 0.000 1.040 1536 L N -0.014 120.992 121.223 -0.362 0.000 2.968 1536 L HA 0.191 4.531 4.340 0.001 0.000 0.235 1536 L C -0.112 176.722 176.870 -0.059 0.000 1.323 1536 L CA 0.082 54.820 54.840 -0.169 0.000 1.159 1536 L CB -1.671 40.339 42.059 -0.081 0.000 1.523 1536 L HN 0.302 nan 8.230 nan 0.000 0.468 1537 Y N 0.646 120.943 120.300 -0.005 0.000 2.697 1537 Y HA -0.050 4.500 4.550 0.000 0.000 0.349 1537 Y C 1.384 177.268 175.900 -0.027 0.000 1.120 1537 Y CA -0.955 57.139 58.100 -0.011 0.000 1.468 1537 Y CB 0.276 38.733 38.460 -0.006 0.000 1.182 1537 Y HN 0.419 nan 8.280 nan 0.000 0.525 1538 D N 1.806 122.279 120.400 0.122 0.000 2.178 1538 D HA -0.216 4.424 4.640 0.001 0.000 0.202 1538 D C 1.929 178.233 176.300 0.006 0.000 0.974 1538 D CA 0.659 54.686 54.000 0.045 0.000 0.841 1538 D CB -0.119 40.700 40.800 0.032 0.000 0.953 1538 D HN 0.470 nan 8.370 nan 0.000 0.478 1539 L N 0.110 121.337 121.223 0.006 0.000 2.042 1539 L HA -0.076 4.265 4.340 0.001 0.000 0.210 1539 L C 2.035 178.832 176.870 -0.121 0.000 1.076 1539 L CA 1.340 56.151 54.840 -0.049 0.000 0.749 1539 L CB -0.564 41.468 42.059 -0.044 0.000 0.893 1539 L HN 0.121 nan 8.230 nan 0.000 0.432 1540 L N -0.753 120.422 121.223 -0.079 0.000 2.131 1540 L HA -0.101 4.240 4.340 0.001 0.000 0.206 1540 L C 2.284 179.050 176.870 -0.174 0.000 1.087 1540 L CA 1.081 55.821 54.840 -0.167 0.000 0.767 1540 L CB -0.512 41.566 42.059 0.031 0.000 0.917 1540 L HN 0.151 nan 8.230 nan 0.000 0.441 1541 L N 0.083 121.271 121.223 -0.058 0.000 2.131 1541 L HA -0.211 4.129 4.340 0.001 0.000 0.210 1541 L C 2.425 179.259 176.870 -0.060 0.000 1.092 1541 L CA 1.945 56.765 54.840 -0.034 0.000 0.759 1541 L CB -0.899 41.156 42.059 -0.006 0.000 0.903 1541 L HN 0.573 nan 8.230 nan 0.000 0.435 1542 E N -0.764 119.379 120.200 -0.095 0.000 2.031 1542 E HA -0.249 4.101 4.350 0.001 0.000 0.193 1542 E C 2.176 178.685 176.600 -0.152 0.000 0.994 1542 E CA 1.212 57.556 56.400 -0.093 0.000 0.800 1542 E CB 0.055 29.702 29.700 -0.089 0.000 0.752 1542 E HN 0.247 nan 8.360 nan 0.000 0.447 1543 M N 0.400 119.784 119.600 -0.360 0.000 2.202 1543 M HA -0.132 4.348 4.480 0.001 0.000 0.262 1543 M C 2.384 178.532 176.300 -0.254 0.000 1.063 1543 M CA 0.889 55.821 55.300 -0.614 0.000 1.097 1543 M CB -0.876 30.698 32.600 -1.709 0.000 1.382 1543 M HN 0.260 nan 8.290 nan 0.000 0.413 1544 L N 0.673 121.811 121.223 -0.142 0.000 2.095 1544 L HA -0.090 4.251 4.340 0.001 0.000 0.204 1544 L C 1.556 178.550 176.870 0.206 0.000 1.080 1544 L CA 1.886 56.823 54.840 0.163 0.000 0.759 1544 L CB -0.749 41.406 42.059 0.159 0.000 0.914 1544 L HN 0.136 nan 8.230 nan 0.000 0.439 1545 D N -0.315 120.157 120.400 0.119 0.000 2.350 1545 D HA -0.017 4.623 4.640 0.001 0.000 0.216 1545 D C 2.057 178.424 176.300 0.111 0.000 0.968 1545 D CA 1.000 55.075 54.000 0.125 0.000 0.894 1545 D CB 0.082 40.930 40.800 0.080 0.000 0.909 1545 D HN 0.456 nan 8.370 nan 0.000 0.520 1546 A N -0.431 122.459 122.820 0.118 0.000 2.168 1546 A HA -0.128 4.193 4.320 0.001 0.000 0.215 1546 A C 1.265 178.874 177.584 0.042 0.000 1.152 1546 A CA 0.945 53.026 52.037 0.073 0.000 0.716 1546 A CB -0.453 18.580 19.000 0.054 0.000 0.794 1546 A HN 0.216 nan 8.150 nan 0.000 0.465 1547 H N -0.722 118.401 119.070 0.088 0.000 2.551 1547 H HA 0.246 4.802 4.556 0.001 0.000 0.271 1547 H C -0.092 175.251 175.328 0.025 0.000 0.984 1547 H CA -0.045 56.050 56.048 0.078 0.000 1.164 1547 H CB 0.042 29.880 29.762 0.128 0.000 1.437 1547 H HN 0.416 nan 8.280 nan 0.000 0.550 1548 R N 0.485 121.037 120.500 0.087 0.000 2.788 1548 R HA -0.178 4.162 4.340 0.001 0.000 0.258 1548 R C -1.040 175.236 176.300 -0.040 0.000 0.895 1548 R CA -0.059 56.055 56.100 0.023 0.000 0.702 1548 R CB -1.454 28.853 30.300 0.011 0.000 1.661 1548 R HN 0.105 nan 8.270 nan 0.000 0.520 1549 L N 0.000 121.128 121.223 -0.159 0.000 2.949 1549 L HA 0.000 4.340 4.340 0.001 0.000 0.249 1549 L CA 0.000 54.623 54.840 -0.362 0.000 0.813 1549 L CB 0.000 41.663 42.059 -0.660 0.000 0.961 1549 L HN 0.000 nan 8.230 nan 0.000 0.502