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 3hs0_1_C DATA FIRST_RESID 1250 DATA SEQUENCE DLNLDITIEL PDREVPIRYR INYENALLAR TVETKLNQDI TVTASGDGKA DATA SEQUENCE TMTILTFYNA QLXXXXXVcN KFHLNVSVEN IXXXXXXXKG ALMLKIcTRY DATA SEQUENCE LGEVDSTMTI IDISMLTGFL PDAEDLTRLS KGVDRYISRY EVDNNMAQKV DATA SEQUENCE AVIIYLNKVS HSEDEcLHFK ILKHFEVGFI QPGSVKVYSY YNLDEKcTKF DATA SEQUENCE YHPDKGTGLL NKIcIGNVcR CAGETcSSLN HQERIDVPLQ IEKAcETNVD DATA SEQUENCE YVYKTKLLRI EEQDGNDIYV MDVLEVIKQG TDENPRAKTH QYISQRKcQE DATA SEQUENCE ALNLKVNDDY LIWGSRSDLL PTKDKISYII TKNTWIERWP HEDEcQEEEF DATA SEQUENCE QKLcDDFAQF SYTLTEFGcP T 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 1250 D HA 0.000 nan 4.640 nan 0.000 0.175 1250 D C 0.000 176.309 176.300 0.014 0.000 2.045 1250 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 1250 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 1251 L N 1.818 123.062 121.223 0.034 0.000 2.580 1251 L HA 0.552 4.893 4.340 0.002 0.000 0.266 1251 L C -2.023 174.879 176.870 0.053 0.000 0.955 1251 L CA -0.118 54.752 54.840 0.051 0.000 0.886 1251 L CB 1.546 43.652 42.059 0.078 0.000 1.263 1251 L HN -0.213 nan 8.230 nan 0.000 0.406 1252 N N 5.780 124.505 118.700 0.041 0.000 2.519 1252 N HA 0.546 5.287 4.740 0.002 0.000 0.291 1252 N C -1.823 173.710 175.510 0.037 0.000 1.107 1252 N CA -0.251 52.823 53.050 0.040 0.000 0.904 1252 N CB 2.569 41.076 38.487 0.033 0.000 1.500 1252 N HN 0.612 nan 8.380 nan 0.000 0.510 1253 L N 1.764 123.012 121.223 0.042 0.000 2.372 1253 L HA 0.361 4.702 4.340 0.002 0.000 0.274 1253 L C -0.785 176.116 176.870 0.053 0.000 0.988 1253 L CA -0.756 54.111 54.840 0.044 0.000 0.833 1253 L CB 1.904 43.991 42.059 0.046 0.000 1.236 1253 L HN 0.255 nan 8.230 nan 0.000 0.410 1254 D N 4.499 124.925 120.400 0.044 0.000 2.316 1254 D HA 0.384 5.025 4.640 0.002 0.000 0.245 1254 D C -0.277 176.050 176.300 0.046 0.000 1.171 1254 D CA 0.082 54.108 54.000 0.044 0.000 0.856 1254 D CB 1.318 42.135 40.800 0.027 0.000 1.090 1254 D HN 0.150 nan 8.370 nan 0.000 0.476 1255 I N 2.426 123.035 120.570 0.065 0.000 2.378 1255 I HA 0.257 4.428 4.170 0.002 0.000 0.291 1255 I C 0.162 176.279 176.117 0.001 0.000 0.992 1255 I CA -0.451 60.888 61.300 0.064 0.000 1.154 1255 I CB 1.690 39.782 38.000 0.153 0.000 1.315 1255 I HN 0.079 nan 8.210 nan 0.000 0.448 1256 T N 7.080 121.624 114.554 -0.016 0.000 2.807 1256 T HA 0.635 4.986 4.350 0.002 0.000 0.279 1256 T C 0.019 174.687 174.700 -0.053 0.000 0.993 1256 T CA -0.364 61.702 62.100 -0.057 0.000 0.970 1256 T CB 1.808 70.653 68.868 -0.039 0.000 0.950 1256 T HN 0.313 nan 8.240 nan 0.000 0.441 1257 I N 3.145 123.660 120.570 -0.092 0.000 2.464 1257 I HA 0.281 4.452 4.170 0.002 0.000 0.277 1257 I C -0.078 176.004 176.117 -0.057 0.000 1.040 1257 I CA -0.718 60.545 61.300 -0.060 0.000 1.153 1257 I CB 1.220 39.185 38.000 -0.060 0.000 1.274 1257 I HN 0.564 nan 8.210 nan 0.000 0.469 1258 E N 6.946 127.125 120.200 -0.036 0.000 2.200 1258 E HA 0.563 4.914 4.350 0.002 0.000 0.283 1258 E C -0.894 175.695 176.600 -0.019 0.000 1.015 1258 E CA -0.435 55.947 56.400 -0.029 0.000 0.819 1258 E CB 1.664 31.350 29.700 -0.023 0.000 1.081 1258 E HN 0.469 nan 8.360 nan 0.000 0.397 1259 L N 4.191 125.404 121.223 -0.018 0.000 2.330 1259 L HA 0.358 4.699 4.340 0.002 0.000 0.271 1259 L C -1.760 175.106 176.870 -0.008 0.000 1.013 1259 L CA -2.153 52.682 54.840 -0.009 0.000 0.816 1259 L CB 1.561 43.618 42.059 -0.004 0.000 1.287 1259 L HN 0.363 nan 8.230 nan 0.000 0.435 1260 P HA -0.081 nan 4.420 nan 0.000 0.231 1260 P C 0.542 177.840 177.300 -0.003 0.000 1.168 1260 P CA 0.568 63.666 63.100 -0.004 0.000 0.779 1260 P CB 0.091 31.789 31.700 -0.003 0.000 0.844 1261 D N 0.411 120.811 120.400 -0.001 0.000 2.349 1261 D HA -0.051 4.590 4.640 0.002 0.000 0.224 1261 D C 0.486 176.786 176.300 -0.000 0.000 1.029 1261 D CA 0.162 54.163 54.000 0.001 0.000 0.879 1261 D CB -0.013 40.791 40.800 0.006 0.000 0.906 1261 D HN 0.265 nan 8.370 nan 0.000 0.528 1262 R N -1.670 118.828 120.500 -0.004 0.000 2.710 1262 R HA 0.353 4.694 4.340 0.002 0.000 0.270 1262 R C -0.058 176.236 176.300 -0.010 0.000 1.021 1262 R CA -0.815 55.281 56.100 -0.006 0.000 0.889 1262 R CB 0.787 31.083 30.300 -0.007 0.000 1.243 1262 R HN -0.340 nan 8.270 nan 0.000 0.464 1263 E N 0.705 120.899 120.200 -0.010 0.000 2.060 1263 E HA 0.047 4.398 4.350 0.002 0.000 0.189 1263 E C 0.464 177.055 176.600 -0.016 0.000 0.974 1263 E CA 0.955 57.348 56.400 -0.012 0.000 0.808 1263 E CB 0.213 29.907 29.700 -0.009 0.000 0.768 1263 E HN 0.373 nan 8.360 nan 0.000 0.453 1264 V N 5.551 125.453 119.914 -0.019 0.000 2.470 1264 V HA 0.081 4.202 4.120 0.002 0.000 0.276 1264 V C -1.830 174.242 176.094 -0.037 0.000 1.040 1264 V CA -1.097 61.187 62.300 -0.026 0.000 1.008 1264 V CB 0.548 32.356 31.823 -0.025 0.000 0.990 1264 V HN 0.108 nan 8.190 nan 0.000 0.477 1265 P HA 0.290 nan 4.420 nan 0.000 0.272 1265 P C -0.625 176.617 177.300 -0.096 0.000 1.240 1265 P CA -0.252 62.812 63.100 -0.061 0.000 0.791 1265 P CB 1.103 32.770 31.700 -0.055 0.000 0.978 1266 I N 1.510 121.994 120.570 -0.143 0.000 2.330 1266 I HA 0.315 4.486 4.170 0.002 0.000 0.289 1266 I C 0.895 176.789 176.117 -0.372 0.000 1.001 1266 I CA -0.425 60.723 61.300 -0.253 0.000 1.193 1266 I CB 0.966 38.799 38.000 -0.279 0.000 1.345 1266 I HN 0.103 nan 8.210 nan 0.000 0.461 1267 R N 5.598 125.888 120.500 -0.349 0.000 2.387 1267 R HA 0.550 4.891 4.340 0.002 0.000 0.314 1267 R C -1.572 174.565 176.300 -0.272 0.000 0.958 1267 R CA -0.729 55.211 56.100 -0.267 0.000 0.846 1267 R CB 1.703 31.938 30.300 -0.109 0.000 1.147 1267 R HN 0.365 nan 8.270 nan 0.000 0.447 1268 Y N 1.056 121.359 120.300 0.006 0.000 2.509 1268 Y HA 0.485 5.036 4.550 0.002 0.000 0.341 1268 Y C 0.104 176.009 175.900 0.007 0.000 1.038 1268 Y CA -1.217 56.887 58.100 0.006 0.000 1.089 1268 Y CB 1.612 40.076 38.460 0.007 0.000 1.241 1268 Y HN 0.345 nan 8.280 nan 0.000 0.468 1269 R N 2.592 123.203 120.500 0.185 0.000 2.513 1269 R HA 0.729 5.070 4.340 0.002 0.000 0.301 1269 R C -1.995 174.349 176.300 0.074 0.000 0.968 1269 R CA -0.410 55.752 56.100 0.105 0.000 0.872 1269 R CB 0.844 31.186 30.300 0.070 0.000 1.177 1269 R HN 0.784 nan 8.270 nan 0.000 0.444 1270 I N 4.678 125.282 120.570 0.058 0.000 2.406 1270 I HA 0.404 4.575 4.170 0.002 0.000 0.290 1270 I C -0.732 175.407 176.117 0.037 0.000 0.999 1270 I CA -0.964 60.353 61.300 0.030 0.000 1.124 1270 I CB 1.771 39.782 38.000 0.018 0.000 1.289 1270 I HN 0.742 nan 8.210 nan 0.000 0.441 1271 N N 3.546 122.266 118.700 0.034 0.000 2.831 1271 N HA 0.196 4.937 4.740 0.002 0.000 0.276 1271 N C 0.373 175.929 175.510 0.077 0.000 1.416 1271 N CA -0.926 52.163 53.050 0.065 0.000 0.799 1271 N CB 0.384 38.912 38.487 0.069 0.000 1.554 1271 N HN 0.481 nan 8.380 nan 0.000 0.541 1272 Y N -0.092 120.209 120.300 0.002 0.000 2.241 1272 Y HA -0.155 4.396 4.550 0.001 0.000 0.286 1272 Y C 1.472 177.371 175.900 -0.002 0.000 1.166 1272 Y CA 1.969 60.069 58.100 -0.000 0.000 1.203 1272 Y CB -0.097 38.364 38.460 0.001 0.000 0.977 1272 Y HN 0.685 nan 8.280 nan 0.000 0.529 1273 E N -0.046 120.094 120.200 -0.100 0.000 2.031 1273 E HA -0.228 4.123 4.350 0.002 0.000 0.193 1273 E C 1.308 177.796 176.600 -0.187 0.000 0.994 1273 E CA 1.439 57.735 56.400 -0.172 0.000 0.800 1273 E CB -0.314 29.363 29.700 -0.039 0.000 0.752 1273 E HN 0.681 nan 8.360 nan 0.000 0.447 1274 N N 0.122 118.757 118.700 -0.109 0.000 2.268 1274 N HA 0.162 4.903 4.740 0.002 0.000 0.204 1274 N C 1.046 176.498 175.510 -0.098 0.000 1.124 1274 N CA 0.616 53.609 53.050 -0.094 0.000 0.838 1274 N CB 0.241 38.693 38.487 -0.058 0.000 0.994 1274 N HN 0.083 nan 8.380 nan 0.000 0.489 1275 A N 1.240 123.990 122.820 -0.116 0.000 1.903 1275 A HA -0.153 4.168 4.320 0.002 0.000 0.219 1275 A C 1.960 179.499 177.584 -0.076 0.000 1.191 1275 A CA 1.471 53.460 52.037 -0.080 0.000 0.638 1275 A CB -0.869 18.085 19.000 -0.075 0.000 0.823 1275 A HN 0.383 nan 8.150 nan 0.000 0.451 1276 L N -1.061 120.105 121.223 -0.095 0.000 2.478 1276 L HA 0.095 4.436 4.340 0.002 0.000 0.223 1276 L C 0.656 177.485 176.870 -0.070 0.000 1.140 1276 L CA -0.384 54.412 54.840 -0.074 0.000 0.842 1276 L CB -0.557 41.456 42.059 -0.076 0.000 0.953 1276 L HN 0.312 nan 8.230 nan 0.000 0.452 1277 L N 1.676 122.851 121.223 -0.082 0.000 2.361 1277 L HA 0.372 4.713 4.340 0.002 0.000 0.278 1277 L C 0.499 177.306 176.870 -0.105 0.000 1.113 1277 L CA -0.371 54.418 54.840 -0.086 0.000 0.849 1277 L CB 0.508 42.514 42.059 -0.088 0.000 1.155 1277 L HN -0.012 nan 8.230 nan 0.000 0.452 1278 A N 6.514 129.278 122.820 -0.093 0.000 2.366 1278 A HA 0.643 4.964 4.320 0.002 0.000 0.272 1278 A C -0.150 177.338 177.584 -0.159 0.000 1.135 1278 A CA -0.617 51.357 52.037 -0.106 0.000 0.804 1278 A CB 0.136 19.099 19.000 -0.062 0.000 1.064 1278 A HN 0.659 nan 8.150 nan 0.000 0.499 1279 R N 1.876 122.226 120.500 -0.250 0.000 2.393 1279 R HA 0.624 4.965 4.340 0.002 0.000 0.310 1279 R C -1.007 175.184 176.300 -0.182 0.000 0.968 1279 R CA -0.266 55.587 56.100 -0.412 0.000 0.867 1279 R CB 1.111 30.725 30.300 -1.143 0.000 1.124 1279 R HN 0.643 nan 8.270 nan 0.000 0.450 1280 T N 1.637 116.169 114.554 -0.037 0.000 2.881 1280 T HA 0.475 4.826 4.350 0.002 0.000 0.290 1280 T C -0.523 174.257 174.700 0.133 0.000 1.000 1280 T CA -0.560 61.577 62.100 0.061 0.000 0.978 1280 T CB 2.029 70.917 68.868 0.033 0.000 0.997 1280 T HN 0.197 nan 8.240 nan 0.000 0.443 1281 V N 2.853 122.851 119.914 0.140 0.000 2.604 1281 V HA 0.519 4.640 4.120 0.002 0.000 0.305 1281 V C -0.232 175.913 176.094 0.086 0.000 1.043 1281 V CA -0.995 61.375 62.300 0.115 0.000 0.888 1281 V CB 2.020 33.910 31.823 0.112 0.000 0.995 1281 V HN 0.833 nan 8.190 nan 0.000 0.429 1282 E N 1.341 121.582 120.200 0.068 0.000 2.166 1282 E HA 0.587 4.938 4.350 0.002 0.000 0.275 1282 E C -0.704 175.927 176.600 0.052 0.000 0.941 1282 E CA -0.339 56.099 56.400 0.063 0.000 0.784 1282 E CB 2.109 31.838 29.700 0.048 0.000 1.115 1282 E HN 0.702 nan 8.360 nan 0.000 0.399 1283 T N 1.812 116.400 114.554 0.058 0.000 2.861 1283 T HA 0.235 4.586 4.350 0.002 0.000 0.287 1283 T C 0.265 174.996 174.700 0.051 0.000 1.003 1283 T CA -0.648 61.479 62.100 0.045 0.000 0.977 1283 T CB 0.848 69.739 68.868 0.038 0.000 0.996 1283 T HN 0.349 nan 8.240 nan 0.000 0.448 1284 K N 3.510 123.933 120.400 0.040 0.000 2.458 1284 K HA 0.304 4.625 4.320 0.002 0.000 0.194 1284 K C 0.263 176.888 176.600 0.041 0.000 1.024 1284 K CA 0.262 56.574 56.287 0.042 0.000 1.108 1284 K CB 0.094 32.613 32.500 0.031 0.000 0.846 1284 K HN 0.474 nan 8.250 nan 0.000 0.518 1285 L N -0.457 120.788 121.223 0.035 0.000 2.271 1285 L HA 0.354 4.695 4.340 0.002 0.000 0.265 1285 L C -0.292 176.592 176.870 0.023 0.000 1.013 1285 L CA -1.202 53.653 54.840 0.026 0.000 0.820 1285 L CB 1.118 43.186 42.059 0.016 0.000 1.352 1285 L HN -0.148 nan 8.230 nan 0.000 0.443 1286 N N 0.754 119.459 118.700 0.009 0.000 2.851 1286 N HA 0.317 5.058 4.740 0.002 0.000 0.248 1286 N C -1.099 174.405 175.510 -0.010 0.000 1.221 1286 N CA -0.191 52.857 53.050 -0.004 0.000 0.847 1286 N CB 0.663 39.136 38.487 -0.022 0.000 1.150 1286 N HN 0.613 nan 8.380 nan 0.000 0.507 1287 Q N -0.075 119.722 119.800 -0.005 0.000 3.156 1287 Q HA 0.456 4.797 4.340 0.002 0.000 0.301 1287 Q C -1.054 174.942 176.000 -0.007 0.000 1.026 1287 Q CA -0.977 54.822 55.803 -0.007 0.000 0.827 1287 Q CB 0.926 29.662 28.738 -0.003 0.000 1.490 1287 Q HN 0.341 nan 8.270 nan 0.000 0.492 1288 D N 0.430 120.826 120.400 -0.007 0.000 2.341 1288 D HA 0.375 5.016 4.640 0.002 0.000 0.245 1288 D C -0.834 175.464 176.300 -0.003 0.000 1.106 1288 D CA 0.272 54.268 54.000 -0.007 0.000 0.905 1288 D CB 0.655 41.451 40.800 -0.007 0.000 1.202 1288 D HN 0.245 nan 8.370 nan 0.000 0.426 1289 I N 1.303 121.872 120.570 -0.002 0.000 2.468 1289 I HA 0.139 4.310 4.170 0.002 0.000 0.284 1289 I C -0.353 175.765 176.117 0.001 0.000 1.038 1289 I CA -0.533 60.768 61.300 0.001 0.000 1.083 1289 I CB 1.845 39.850 38.000 0.007 0.000 1.223 1289 I HN 0.047 nan 8.210 nan 0.000 0.443 1290 T N 5.549 120.102 114.554 -0.002 0.000 2.767 1290 T HA 0.520 4.871 4.350 0.002 0.000 0.288 1290 T C -0.114 174.585 174.700 -0.002 0.000 0.963 1290 T CA -0.502 61.596 62.100 -0.002 0.000 1.019 1290 T CB 1.582 70.446 68.868 -0.006 0.000 0.923 1290 T HN 0.181 nan 8.240 nan 0.000 0.468 1291 V N 3.730 123.646 119.914 0.003 0.000 2.444 1291 V HA 0.479 4.600 4.120 0.002 0.000 0.294 1291 V C 0.001 176.100 176.094 0.008 0.000 1.022 1291 V CA -0.860 61.445 62.300 0.008 0.000 0.850 1291 V CB 1.851 33.686 31.823 0.019 0.000 0.992 1291 V HN 0.993 nan 8.190 nan 0.000 0.426 1292 T N 4.111 118.669 114.554 0.005 0.000 2.842 1292 T HA 0.702 5.053 4.350 0.002 0.000 0.308 1292 T C -0.016 174.692 174.700 0.013 0.000 1.041 1292 T CA -0.275 61.829 62.100 0.006 0.000 0.964 1292 T CB 1.357 70.225 68.868 -0.001 0.000 0.972 1292 T HN 0.894 nan 8.240 nan 0.000 0.460 1293 A N 3.107 125.938 122.820 0.018 0.000 2.303 1293 A HA 0.834 5.155 4.320 0.002 0.000 0.320 1293 A C 0.181 177.776 177.584 0.020 0.000 1.192 1293 A CA -0.792 51.260 52.037 0.025 0.000 0.821 1293 A CB 0.738 19.756 19.000 0.030 0.000 1.188 1293 A HN 0.834 nan 8.150 nan 0.000 0.492 1294 S N 1.262 116.975 115.700 0.021 0.000 2.541 1294 S HA 0.970 5.441 4.470 0.002 0.000 0.280 1294 S C 0.019 174.631 174.600 0.021 0.000 1.112 1294 S CA -0.064 58.147 58.200 0.018 0.000 0.925 1294 S CB 1.618 64.826 63.200 0.013 0.000 1.067 1294 S HN 2.533 nan 8.310 nan 0.000 0.479 1295 G N 1.141 109.952 108.800 0.019 0.000 2.347 1295 G HA2 0.205 4.166 3.960 0.002 0.000 0.224 1295 G HA3 0.205 4.166 3.960 0.002 0.000 0.224 1295 G C -1.216 173.695 174.900 0.018 0.000 1.318 1295 G CA -0.002 45.110 45.100 0.020 0.000 1.016 1295 G HN 0.583 nan 8.290 nan 0.000 0.469 1296 D N -0.137 120.275 120.400 0.020 0.000 2.457 1296 D HA 0.244 4.885 4.640 0.002 0.000 0.254 1296 D C 1.469 177.780 176.300 0.019 0.000 1.097 1296 D CA 0.918 54.928 54.000 0.017 0.000 0.870 1296 D CB 1.125 41.935 40.800 0.015 0.000 1.253 1296 D HN 0.630 nan 8.370 nan 0.000 0.500 1297 G N 0.594 109.409 108.800 0.025 0.000 2.543 1297 G HA2 0.460 4.421 3.960 0.002 0.000 0.267 1297 G HA3 0.460 4.421 3.960 0.002 0.000 0.267 1297 G C -0.103 174.812 174.900 0.025 0.000 1.406 1297 G CA -0.292 44.824 45.100 0.027 0.000 1.048 1297 G HN -0.139 nan 8.290 nan 0.000 0.548 1298 K N -1.002 119.414 120.400 0.026 0.000 2.328 1298 K HA 0.699 5.020 4.320 0.002 0.000 0.246 1298 K C -0.825 175.789 176.600 0.023 0.000 0.955 1298 K CA -0.569 55.731 56.287 0.022 0.000 0.817 1298 K CB 2.446 34.957 32.500 0.019 0.000 1.208 1298 K HN 0.667 nan 8.250 nan 0.000 0.432 1299 A N 0.783 123.615 122.820 0.021 0.000 2.594 1299 A HA 0.566 4.887 4.320 0.002 0.000 0.295 1299 A C -1.263 176.331 177.584 0.017 0.000 1.071 1299 A CA -0.623 51.425 52.037 0.018 0.000 0.685 1299 A CB 1.967 20.981 19.000 0.023 0.000 1.285 1299 A HN 0.474 nan 8.150 nan 0.000 0.405 1300 T N 2.342 116.904 114.554 0.013 0.000 2.772 1300 T HA 0.496 4.847 4.350 0.002 0.000 0.288 1300 T C -0.250 174.459 174.700 0.015 0.000 0.994 1300 T CA -0.047 62.060 62.100 0.012 0.000 0.951 1300 T CB 0.447 69.320 68.868 0.009 0.000 0.933 1300 T HN 0.644 nan 8.240 nan 0.000 0.447 1301 M N 3.856 123.469 119.600 0.021 0.000 2.157 1301 M HA 0.425 4.906 4.480 0.002 0.000 0.354 1301 M C -0.874 175.439 176.300 0.021 0.000 1.170 1301 M CA -0.019 55.297 55.300 0.027 0.000 1.060 1301 M CB 0.542 33.163 32.600 0.035 0.000 1.615 1301 M HN 0.385 nan 8.290 nan 0.000 0.460 1302 T N 6.199 120.767 114.554 0.023 0.000 2.786 1302 T HA 0.546 4.897 4.350 0.002 0.000 0.283 1302 T C -0.629 174.085 174.700 0.023 0.000 0.992 1302 T CA -0.421 61.690 62.100 0.018 0.000 0.954 1302 T CB 0.726 69.604 68.868 0.017 0.000 0.934 1302 T HN 0.524 nan 8.240 nan 0.000 0.440 1303 I N 3.882 124.459 120.570 0.011 0.000 2.321 1303 I HA 0.372 4.543 4.170 0.002 0.000 0.291 1303 I C -0.421 175.682 176.117 -0.022 0.000 0.998 1303 I CA -0.334 60.971 61.300 0.009 0.000 1.227 1303 I CB 1.005 39.007 38.000 0.003 0.000 1.368 1303 I HN 0.438 nan 8.210 nan 0.000 0.466 1304 L N 6.451 127.662 121.223 -0.019 0.000 2.316 1304 L HA 0.495 4.836 4.340 0.002 0.000 0.280 1304 L C -0.503 176.268 176.870 -0.165 0.000 1.006 1304 L CA -0.505 54.249 54.840 -0.143 0.000 0.836 1304 L CB 1.330 43.329 42.059 -0.100 0.000 1.221 1304 L HN 0.503 nan 8.230 nan 0.000 0.418 1305 T N 2.631 117.051 114.554 -0.223 0.000 2.743 1305 T HA 0.533 4.884 4.350 0.002 0.000 0.292 1305 T C -0.397 174.234 174.700 -0.115 0.000 0.972 1305 T CA -0.251 61.801 62.100 -0.079 0.000 0.967 1305 T CB 0.392 69.245 68.868 -0.025 0.000 0.926 1305 T HN 0.072 nan 8.240 nan 0.000 0.459 1306 F N 3.636 123.680 119.950 0.157 0.000 2.421 1306 F HA 0.652 5.180 4.527 0.002 0.000 0.337 1306 F C 0.112 176.065 175.800 0.255 0.000 1.105 1306 F CA -0.825 57.268 58.000 0.155 0.000 1.049 1306 F CB 1.046 40.084 39.000 0.062 0.000 1.139 1306 F HN 0.658 nan 8.300 nan 0.000 0.479 1307 Y N -0.452 119.949 120.300 0.169 0.000 2.713 1307 Y HA 0.542 5.093 4.550 0.002 0.000 0.335 1307 Y C -1.830 174.119 175.900 0.082 0.000 1.222 1307 Y CA -1.694 56.465 58.100 0.100 0.000 1.061 1307 Y CB 0.906 39.398 38.460 0.054 0.000 1.314 1307 Y HN 0.392 nan 8.280 nan 0.000 0.453 1308 N N 1.167 119.894 118.700 0.045 0.000 2.426 1308 N HA 0.704 5.445 4.740 0.002 0.000 0.275 1308 N C -0.841 174.674 175.510 0.009 0.000 1.019 1308 N CA -0.276 52.743 53.050 -0.052 0.000 0.941 1308 N CB 1.882 40.380 38.487 0.019 0.000 1.123 1308 N HN 0.927 nan 8.380 nan 0.000 0.486 1309 A N 1.552 124.316 122.820 -0.093 0.000 2.269 1309 A HA 0.510 4.831 4.320 0.002 0.000 0.327 1309 A C 0.011 177.614 177.584 0.033 0.000 1.112 1309 A CA -0.635 51.419 52.037 0.028 0.000 0.865 1309 A CB 0.670 19.658 19.000 -0.020 0.000 1.227 1309 A HN 0.487 nan 8.150 nan 0.000 0.498 1310 Q N -0.835 118.999 119.800 0.056 0.000 2.471 1310 Q HA 0.462 4.803 4.340 0.002 0.000 0.223 1310 Q C -1.018 174.997 176.000 0.025 0.000 1.045 1310 Q CA 0.036 55.863 55.803 0.039 0.000 0.956 1310 Q CB 1.034 29.798 28.738 0.043 0.000 1.249 1310 Q HN 0.553 nan 8.270 nan 0.000 0.549 1318 c N 3.658 122.316 118.600 0.097 0.000 2.625 1318 c HA 0.022 4.593 4.570 0.002 0.000 0.398 1318 c C 1.951 176.082 174.090 0.069 0.000 1.405 1318 c CA 0.225 56.620 56.329 0.110 0.000 1.398 1318 c CB -1.798 40.803 42.510 0.152 0.000 2.318 1318 c HN 0.987 nan 8.230 nan 0.000 0.623 1319 N N 2.060 120.799 118.700 0.065 0.000 2.207 1319 N HA -0.039 4.702 4.740 0.002 0.000 0.182 1319 N C 1.700 177.194 175.510 -0.027 0.000 1.020 1319 N CA 1.248 54.308 53.050 0.017 0.000 0.858 1319 N CB 0.158 38.663 38.487 0.030 0.000 0.991 1319 N HN 0.636 nan 8.380 nan 0.000 0.427 1320 K N -1.742 118.688 120.400 0.051 0.000 2.360 1320 K HA 0.152 4.473 4.320 0.002 0.000 0.196 1320 K C -0.533 175.973 176.600 -0.157 0.000 1.049 1320 K CA 0.077 56.345 56.287 -0.033 0.000 1.049 1320 K CB 0.950 33.515 32.500 0.107 0.000 0.881 1320 K HN 0.037 nan 8.250 nan 0.000 0.542 1321 F N -0.221 119.750 119.950 0.034 0.000 2.593 1321 F HA 0.348 4.876 4.527 0.002 0.000 0.320 1321 F C 0.129 175.918 175.800 -0.017 0.000 1.060 1321 F CA -0.922 57.117 58.000 0.065 0.000 0.940 1321 F CB 1.532 40.619 39.000 0.144 0.000 1.268 1321 F HN -0.132 nan 8.300 nan 0.000 0.475 1322 H N 1.080 120.306 119.070 0.259 0.000 2.479 1322 H HA 0.711 5.268 4.556 0.002 0.000 0.335 1322 H C -1.386 174.046 175.328 0.173 0.000 1.142 1322 H CA -0.885 55.263 56.048 0.167 0.000 1.234 1322 H CB 2.042 31.864 29.762 0.101 0.000 1.503 1322 H HN 0.435 nan 8.280 nan 0.000 0.510 1323 L N 2.845 124.227 121.223 0.265 0.000 2.493 1323 L HA 0.431 4.772 4.340 0.002 0.000 0.265 1323 L C -1.746 175.176 176.870 0.087 0.000 0.954 1323 L CA -0.496 54.433 54.840 0.148 0.000 0.844 1323 L CB 1.938 44.063 42.059 0.110 0.000 1.302 1323 L HN 0.600 nan 8.230 nan 0.000 0.405 1324 N N 2.921 121.651 118.700 0.050 0.000 2.346 1324 N HA 0.738 5.479 4.740 0.002 0.000 0.289 1324 N C -1.621 173.886 175.510 -0.005 0.000 1.027 1324 N CA -0.290 52.773 53.050 0.022 0.000 0.864 1324 N CB 2.654 41.145 38.487 0.006 0.000 1.370 1324 N HN 0.363 nan 8.380 nan 0.000 0.481 1325 V N 1.449 121.361 119.914 -0.004 0.000 2.376 1325 V HA 0.545 4.666 4.120 0.002 0.000 0.287 1325 V C -0.262 175.804 176.094 -0.047 0.000 1.015 1325 V CA -0.680 61.591 62.300 -0.049 0.000 0.834 1325 V CB 1.022 32.836 31.823 -0.015 0.000 1.001 1325 V HN 0.640 nan 8.190 nan 0.000 0.428 1326 S N 3.261 118.897 115.700 -0.107 0.000 2.681 1326 S HA 0.828 5.299 4.470 0.002 0.000 0.299 1326 S C -0.489 174.007 174.600 -0.173 0.000 1.113 1326 S CA -0.810 57.334 58.200 -0.094 0.000 1.013 1326 S CB 2.475 65.623 63.200 -0.086 0.000 1.076 1326 S HN 0.734 nan 8.310 nan 0.000 0.534 1327 V N 1.120 120.960 119.914 -0.124 0.000 2.711 1327 V HA 0.607 4.728 4.120 0.002 0.000 0.304 1327 V C -1.670 174.351 176.094 -0.122 0.000 1.097 1327 V CA -0.250 61.947 62.300 -0.172 0.000 0.906 1327 V CB 1.733 33.466 31.823 -0.151 0.000 1.015 1327 V HN 0.995 nan 8.190 nan 0.000 0.427 1328 E N 3.791 123.909 120.200 -0.137 0.000 2.433 1328 E HA 0.546 4.897 4.350 0.002 0.000 0.273 1328 E C -0.879 175.663 176.600 -0.097 0.000 0.950 1328 E CA -0.830 55.510 56.400 -0.099 0.000 0.796 1328 E CB 1.876 31.524 29.700 -0.087 0.000 1.330 1328 E HN 0.831 nan 8.360 nan 0.000 0.455 1329 N N -0.066 118.593 118.700 -0.069 0.000 2.386 1329 N HA 0.518 5.259 4.740 0.002 0.000 0.291 1329 N C -0.365 175.117 175.510 -0.047 0.000 1.309 1329 N CA -0.125 52.892 53.050 -0.054 0.000 0.948 1329 N CB 0.452 38.919 38.487 -0.035 0.000 1.083 1329 N HN 0.301 nan 8.380 nan 0.000 0.527 1339 G N 1.311 110.142 108.800 0.051 0.000 2.571 1339 G HA2 0.627 4.588 3.960 0.002 0.000 0.327 1339 G HA3 0.627 4.588 3.960 0.002 0.000 0.327 1339 G C -0.414 174.581 174.900 0.157 0.000 1.008 1339 G CA -0.135 45.016 45.100 0.084 0.000 1.136 1339 G HN 0.423 nan 8.290 nan 0.000 0.444 1340 A N 2.020 124.905 122.820 0.109 0.000 2.469 1340 A HA 0.904 5.225 4.320 0.002 0.000 0.299 1340 A C -1.522 176.060 177.584 -0.004 0.000 1.098 1340 A CA -0.564 51.527 52.037 0.090 0.000 0.737 1340 A CB 2.047 21.081 19.000 0.057 0.000 1.312 1340 A HN 0.569 nan 8.150 nan 0.000 0.414 1341 L N 0.411 121.583 121.223 -0.085 0.000 2.376 1341 L HA 0.712 5.053 4.340 0.002 0.000 0.258 1341 L C -0.735 176.023 176.870 -0.187 0.000 1.013 1341 L CA -0.470 54.264 54.840 -0.176 0.000 0.822 1341 L CB 2.014 43.875 42.059 -0.330 0.000 1.388 1341 L HN 0.838 nan 8.230 nan 0.000 0.413 1342 M N 2.846 122.330 119.600 -0.193 0.000 2.072 1342 M HA 0.489 4.970 4.480 0.002 0.000 0.331 1342 M C -1.554 174.565 176.300 -0.302 0.000 1.004 1342 M CA -0.444 54.735 55.300 -0.201 0.000 0.952 1342 M CB 0.807 33.328 32.600 -0.132 0.000 1.511 1342 M HN 0.346 nan 8.290 nan 0.000 0.422 1343 L N 6.227 127.175 121.223 -0.460 0.000 2.278 1343 L HA 0.482 4.823 4.340 0.002 0.000 0.287 1343 L C -0.833 175.784 176.870 -0.421 0.000 1.072 1343 L CA 0.513 54.987 54.840 -0.611 0.000 0.819 1343 L CB 0.180 41.628 42.059 -1.019 0.000 1.176 1343 L HN 0.635 nan 8.230 nan 0.000 0.435 1344 K N 6.762 126.980 120.400 -0.303 0.000 2.274 1344 K HA 0.593 4.914 4.320 0.002 0.000 0.262 1344 K C -1.180 175.329 176.600 -0.152 0.000 0.961 1344 K CA -0.494 55.696 56.287 -0.162 0.000 0.833 1344 K CB 1.878 34.303 32.500 -0.125 0.000 1.102 1344 K HN 0.530 nan 8.250 nan 0.000 0.436 1345 I N 2.902 123.423 120.570 -0.082 0.000 2.468 1345 I HA 0.267 4.438 4.170 0.002 0.000 0.285 1345 I C -0.749 175.364 176.117 -0.006 0.000 1.039 1345 I CA -0.798 60.467 61.300 -0.058 0.000 1.074 1345 I CB 1.718 39.681 38.000 -0.063 0.000 1.228 1345 I HN 0.559 nan 8.210 nan 0.000 0.436 1346 c N 3.966 122.570 118.600 0.005 0.000 2.456 1346 c HA 0.826 5.397 4.570 0.002 0.000 0.325 1346 c C 0.283 174.413 174.090 0.066 0.000 1.217 1346 c CA -0.201 56.149 56.329 0.034 0.000 1.687 1346 c CB 1.700 44.226 42.510 0.027 0.000 2.270 1346 c HN 0.743 nan 8.230 nan 0.000 0.499 1347 T N 2.523 117.135 114.554 0.097 0.000 2.916 1347 T HA 0.673 5.024 4.350 0.002 0.000 0.305 1347 T C -0.936 173.895 174.700 0.219 0.000 1.119 1347 T CA -0.650 61.550 62.100 0.166 0.000 1.008 1347 T CB 1.697 70.647 68.868 0.137 0.000 1.129 1347 T HN 0.768 nan 8.240 nan 0.000 0.480 1348 R N 1.356 122.044 120.500 0.314 0.000 2.535 1348 R HA 0.446 4.787 4.340 0.002 0.000 0.274 1348 R C -1.942 174.532 176.300 0.290 0.000 1.090 1348 R CA -0.745 55.523 56.100 0.280 0.000 0.930 1348 R CB 1.437 31.852 30.300 0.193 0.000 1.223 1348 R HN 0.667 nan 8.270 nan 0.000 0.441 1349 Y N 4.281 124.600 120.300 0.031 0.000 2.304 1349 Y HA 0.301 4.852 4.550 0.002 0.000 0.327 1349 Y C -0.114 175.680 175.900 -0.177 0.000 1.209 1349 Y CA -0.310 57.593 58.100 -0.329 0.000 1.299 1349 Y CB 1.027 39.315 38.460 -0.287 0.000 1.249 1349 Y HN 0.632 nan 8.280 nan 0.000 0.519 1350 L N 5.581 126.283 121.223 -0.868 0.000 2.928 1350 L HA 0.368 4.709 4.340 0.002 0.000 0.246 1350 L C 0.925 177.388 176.870 -0.678 0.000 1.239 1350 L CA -0.115 54.376 54.840 -0.583 0.000 1.035 1350 L CB -0.395 41.391 42.059 -0.454 0.000 1.360 1350 L HN 0.795 nan 8.230 nan 0.000 0.529 1351 G N -0.858 107.332 108.800 -1.017 0.000 2.568 1351 G HA2 0.210 4.171 3.960 0.002 0.000 0.293 1351 G HA3 0.210 4.171 3.960 0.002 0.000 0.293 1351 G C 0.500 175.184 174.900 -0.361 0.000 1.347 1351 G CA -0.221 44.502 45.100 -0.627 0.000 1.039 1351 G HN 0.030 nan 8.290 nan 0.000 0.523 1352 E N -1.351 118.666 120.200 -0.306 0.000 2.385 1352 E HA 0.056 4.407 4.350 0.002 0.000 0.194 1352 E C 1.021 177.212 176.600 -0.682 0.000 1.013 1352 E CA 0.358 56.548 56.400 -0.350 0.000 0.866 1352 E CB 0.471 30.064 29.700 -0.179 0.000 0.832 1352 E HN 0.315 nan 8.360 nan 0.000 0.500 1353 V N -1.023 118.594 119.914 -0.494 0.000 3.001 1353 V HA 0.456 4.577 4.120 0.002 0.000 0.314 1353 V C -0.260 175.796 176.094 -0.064 0.000 1.099 1353 V CA -1.324 60.759 62.300 -0.362 0.000 0.989 1353 V CB 1.905 33.665 31.823 -0.105 0.000 1.040 1353 V HN -0.290 nan 8.190 nan 0.000 0.434 1354 D N 2.326 122.816 120.400 0.149 0.000 2.449 1354 D HA 0.326 4.967 4.640 0.002 0.000 0.236 1354 D C 0.552 176.901 176.300 0.082 0.000 1.149 1354 D CA 0.827 54.980 54.000 0.254 0.000 0.878 1354 D CB 0.912 41.837 40.800 0.208 0.000 1.198 1354 D HN 1.044 nan 8.370 nan 0.000 0.446 1355 S N 0.375 116.028 115.700 -0.078 0.000 2.499 1355 S HA 0.518 4.989 4.470 0.002 0.000 0.279 1355 S C -0.171 174.386 174.600 -0.072 0.000 1.219 1355 S CA -0.859 57.127 58.200 -0.357 0.000 1.062 1355 S CB 0.945 63.539 63.200 -1.009 0.000 0.978 1355 S HN 0.296 nan 8.310 nan 0.000 0.489 1356 T N 4.318 118.886 114.554 0.023 0.000 2.909 1356 T HA 0.413 4.764 4.350 0.002 0.000 0.286 1356 T C 0.202 174.940 174.700 0.063 0.000 1.002 1356 T CA -0.833 61.312 62.100 0.076 0.000 1.074 1356 T CB 0.469 69.427 68.868 0.151 0.000 0.984 1356 T HN 0.759 nan 8.240 nan 0.000 0.495 1357 M N 1.602 121.218 119.600 0.025 0.000 3.241 1357 M HA -0.146 4.335 4.480 0.002 0.000 0.169 1357 M C 0.006 176.331 176.300 0.042 0.000 1.333 1357 M CA 0.556 55.866 55.300 0.017 0.000 0.838 1357 M CB -2.820 29.755 32.600 -0.042 0.000 1.258 1357 M HN 0.800 nan 8.290 nan 0.000 0.656 1358 T N 2.557 117.122 114.554 0.018 0.000 2.927 1358 T HA 0.876 5.227 4.350 0.002 0.000 0.281 1358 T C 0.714 175.320 174.700 -0.158 0.000 0.998 1358 T CA -0.601 61.467 62.100 -0.053 0.000 1.019 1358 T CB 1.918 70.777 68.868 -0.016 0.000 1.061 1358 T HN 0.481 nan 8.240 nan 0.000 0.518 1359 I N 1.828 122.161 120.570 -0.396 0.000 2.569 1359 I HA 0.431 4.602 4.170 0.002 0.000 0.290 1359 I C -0.906 174.853 176.117 -0.598 0.000 1.088 1359 I CA -0.730 60.230 61.300 -0.566 0.000 1.047 1359 I CB 2.042 39.510 38.000 -0.887 0.000 1.237 1359 I HN 0.438 nan 8.210 nan 0.000 0.421 1360 I N 4.609 124.920 120.570 -0.433 0.000 2.405 1360 I HA 0.193 4.364 4.170 0.002 0.000 0.280 1360 I C -0.584 175.390 176.117 -0.239 0.000 1.027 1360 I CA -0.370 60.752 61.300 -0.296 0.000 1.161 1360 I CB 1.224 39.109 38.000 -0.191 0.000 1.300 1360 I HN 0.470 nan 8.210 nan 0.000 0.463 1361 D N 8.092 128.397 120.400 -0.158 0.000 2.365 1361 D HA 0.355 4.996 4.640 0.002 0.000 0.237 1361 D C -0.380 175.911 176.300 -0.014 0.000 1.190 1361 D CA -0.008 53.958 54.000 -0.057 0.000 0.867 1361 D CB 0.707 41.559 40.800 0.087 0.000 1.050 1361 D HN 0.337 nan 8.370 nan 0.000 0.491 1362 I N 2.467 123.037 120.570 -0.001 0.000 2.392 1362 I HA 0.196 4.367 4.170 0.002 0.000 0.295 1362 I C 0.398 176.573 176.117 0.095 0.000 0.985 1362 I CA -0.628 60.712 61.300 0.067 0.000 1.221 1362 I CB 1.661 39.730 38.000 0.115 0.000 1.366 1362 I HN 0.308 nan 8.210 nan 0.000 0.467 1363 S N 6.882 122.664 115.700 0.136 0.000 2.503 1363 S HA 0.628 5.099 4.470 0.002 0.000 0.301 1363 S C -0.421 174.289 174.600 0.182 0.000 1.087 1363 S CA -1.039 57.237 58.200 0.127 0.000 1.042 1363 S CB 1.795 65.046 63.200 0.085 0.000 1.043 1363 S HN 0.368 nan 8.310 nan 0.000 0.489 1364 M N 2.540 122.236 119.600 0.159 0.000 2.228 1364 M HA 0.336 4.817 4.480 0.002 0.000 0.326 1364 M C 0.093 176.457 176.300 0.107 0.000 1.122 1364 M CA -0.435 54.977 55.300 0.188 0.000 1.161 1364 M CB 0.093 32.802 32.600 0.180 0.000 1.437 1364 M HN 0.717 nan 8.290 nan 0.000 0.465 1365 L N 1.219 122.504 121.223 0.102 0.000 2.483 1365 L HA 0.043 4.384 4.340 0.002 0.000 0.276 1365 L C 0.726 177.693 176.870 0.162 0.000 1.213 1365 L CA -0.023 54.852 54.840 0.059 0.000 0.843 1365 L CB -0.051 42.041 42.059 0.054 0.000 1.107 1365 L HN 0.670 nan 8.230 nan 0.000 0.487 1366 T N 2.367 116.952 114.554 0.053 0.000 2.822 1366 T HA 0.140 4.491 4.350 0.002 0.000 0.288 1366 T C 1.037 175.613 174.700 -0.207 0.000 0.991 1366 T CA 1.090 63.182 62.100 -0.013 0.000 1.176 1366 T CB 0.251 69.101 68.868 -0.030 0.000 0.951 1366 T HN 1.029 nan 8.240 nan 0.000 0.526 1367 G N 2.496 111.038 108.800 -0.430 0.000 2.159 1367 G HA2 -0.224 3.737 3.960 0.002 0.000 0.256 1367 G HA3 -0.224 3.737 3.960 0.002 0.000 0.256 1367 G C -0.036 174.383 174.900 -0.801 0.000 0.977 1367 G CA -0.407 43.945 45.100 -1.246 0.000 0.652 1367 G HN 0.595 nan 8.290 nan 0.000 0.531 1368 F N -0.471 119.345 119.950 -0.224 0.000 2.497 1368 F HA 0.882 5.410 4.527 0.002 0.000 0.331 1368 F C 0.717 176.509 175.800 -0.014 0.000 1.060 1368 F CA -0.910 57.035 58.000 -0.092 0.000 0.989 1368 F CB 1.539 40.503 39.000 -0.061 0.000 1.245 1368 F HN 0.004 nan 8.300 nan 0.000 0.486 1369 L N 1.301 122.666 121.223 0.237 0.000 2.469 1369 L HA 0.445 4.786 4.340 0.002 0.000 0.256 1369 L C -2.804 174.142 176.870 0.127 0.000 1.006 1369 L CA -2.198 52.715 54.840 0.120 0.000 0.832 1369 L CB 2.935 45.000 42.059 0.009 0.000 1.421 1369 L HN 0.267 nan 8.230 nan 0.000 0.410 1370 P HA 0.085 nan 4.420 nan 0.000 0.282 1370 P C -1.102 176.214 177.300 0.026 0.000 1.262 1370 P CA -0.267 62.897 63.100 0.106 0.000 0.773 1370 P CB 0.481 32.133 31.700 -0.082 0.000 0.879 1371 D N 3.223 123.677 120.400 0.090 0.000 2.570 1371 D HA -0.021 4.620 4.640 0.002 0.000 0.243 1371 D C 1.340 177.634 176.300 -0.011 0.000 1.171 1371 D CA 0.356 54.385 54.000 0.048 0.000 0.879 1371 D CB 0.489 41.334 40.800 0.075 0.000 1.143 1371 D HN 0.331 nan 8.370 nan 0.000 0.511 1372 A N 4.317 127.128 122.820 -0.014 0.000 1.917 1372 A HA -0.268 4.053 4.320 0.002 0.000 0.219 1372 A C 2.004 179.594 177.584 0.009 0.000 1.182 1372 A CA 1.917 53.949 52.037 -0.009 0.000 0.633 1372 A CB -0.568 18.461 19.000 0.048 0.000 0.819 1372 A HN 0.807 nan 8.150 nan 0.000 0.448 1373 E N -0.653 119.554 120.200 0.013 0.000 2.072 1373 E HA -0.202 4.149 4.350 0.002 0.000 0.190 1373 E C 1.280 177.874 176.600 -0.010 0.000 0.982 1373 E CA 1.109 57.516 56.400 0.012 0.000 0.803 1373 E CB -0.104 29.606 29.700 0.016 0.000 0.755 1373 E HN 0.517 nan 8.360 nan 0.000 0.453 1374 D N 0.465 120.856 120.400 -0.015 0.000 2.144 1374 D HA -0.148 4.493 4.640 0.002 0.000 0.199 1374 D C 1.905 178.130 176.300 -0.125 0.000 0.984 1374 D CA 0.513 54.493 54.000 -0.033 0.000 0.834 1374 D CB -0.111 40.718 40.800 0.048 0.000 0.955 1374 D HN 0.162 nan 8.370 nan 0.000 0.465 1375 L N 0.648 121.754 121.223 -0.196 0.000 2.005 1375 L HA -0.115 4.226 4.340 0.002 0.000 0.207 1375 L C 2.264 179.070 176.870 -0.107 0.000 1.072 1375 L CA 1.620 56.278 54.840 -0.303 0.000 0.744 1375 L CB -0.952 40.831 42.059 -0.460 0.000 0.895 1375 L HN -0.034 nan 8.230 nan 0.000 0.433 1376 T N -0.782 113.780 114.554 0.014 0.000 2.822 1376 T HA -0.254 4.097 4.350 0.002 0.000 0.270 1376 T C 2.002 176.690 174.700 -0.021 0.000 1.064 1376 T CA 1.517 63.642 62.100 0.041 0.000 1.131 1376 T CB -0.291 68.605 68.868 0.045 0.000 0.858 1376 T HN 0.305 nan 8.240 nan 0.000 0.483 1377 R N 0.330 120.803 120.500 -0.045 0.000 2.119 1377 R HA 0.135 4.477 4.340 0.002 0.000 0.222 1377 R C 2.251 178.508 176.300 -0.071 0.000 1.088 1377 R CA 0.614 56.683 56.100 -0.051 0.000 0.984 1377 R CB -0.206 30.063 30.300 -0.051 0.000 0.884 1377 R HN 0.361 nan 8.270 nan 0.000 0.447 1378 L N 0.787 121.946 121.223 -0.107 0.000 2.093 1378 L HA -0.117 4.224 4.340 0.002 0.000 0.208 1378 L C 2.423 179.244 176.870 -0.082 0.000 1.085 1378 L CA 1.568 56.338 54.840 -0.116 0.000 0.755 1378 L CB -0.397 41.550 42.059 -0.188 0.000 0.904 1378 L HN 0.345 nan 8.230 nan 0.000 0.435 1379 S N -1.179 114.476 115.700 -0.075 0.000 2.442 1379 S HA -0.075 4.396 4.470 0.002 0.000 0.236 1379 S C 0.935 175.510 174.600 -0.042 0.000 1.007 1379 S CA 0.362 58.523 58.200 -0.065 0.000 0.965 1379 S CB -0.366 62.791 63.200 -0.072 0.000 0.773 1379 S HN 0.172 nan 8.310 nan 0.000 0.504 1380 K N 2.592 122.970 120.400 -0.036 0.000 2.489 1380 K HA 0.464 4.785 4.320 0.002 0.000 0.278 1380 K C 0.790 177.384 176.600 -0.010 0.000 1.000 1380 K CA 1.159 57.432 56.287 -0.022 0.000 1.012 1380 K CB -0.311 32.177 32.500 -0.021 0.000 0.903 1380 K HN 0.585 nan 8.250 nan 0.000 0.485 1381 G N -0.195 108.606 108.800 0.000 0.000 2.406 1381 G HA2 -0.129 3.832 3.960 0.002 0.000 0.680 1381 G HA3 -0.129 3.832 3.960 0.002 0.000 0.680 1381 G C 0.142 175.055 174.900 0.022 0.000 1.338 1381 G CA -0.564 44.542 45.100 0.010 0.000 0.941 1381 G HN 0.185 nan 8.290 nan 0.000 0.633 1382 V N 0.420 120.347 119.914 0.022 0.000 3.506 1382 V HA 0.101 4.222 4.120 0.002 0.000 0.263 1382 V C 2.203 178.317 176.094 0.033 0.000 1.203 1382 V CA 2.197 64.512 62.300 0.026 0.000 1.133 1382 V CB 0.110 31.942 31.823 0.016 0.000 0.802 1382 V HN 0.880 nan 8.190 nan 0.000 0.459 1383 D N 0.195 120.615 120.400 0.034 0.000 2.271 1383 D HA -0.032 4.609 4.640 0.002 0.000 0.206 1383 D C 1.152 177.487 176.300 0.058 0.000 0.967 1383 D CA 0.313 54.336 54.000 0.039 0.000 0.867 1383 D CB 0.160 40.979 40.800 0.032 0.000 0.960 1383 D HN 0.328 nan 8.370 nan 0.000 0.509 1384 R N -1.094 119.445 120.500 0.066 0.000 2.668 1384 R HA 0.550 4.891 4.340 0.002 0.000 0.279 1384 R C -1.490 174.910 176.300 0.166 0.000 0.976 1384 R CA -0.850 55.304 56.100 0.091 0.000 0.978 1384 R CB 1.711 32.033 30.300 0.037 0.000 1.133 1384 R HN 0.072 nan 8.270 nan 0.000 0.484 1385 Y N 2.204 122.552 120.300 0.079 0.000 2.433 1385 Y HA 0.524 5.076 4.550 0.002 0.000 0.337 1385 Y C -1.444 174.575 175.900 0.198 0.000 1.026 1385 Y CA -0.767 57.394 58.100 0.102 0.000 1.037 1385 Y CB 1.234 39.728 38.460 0.057 0.000 1.245 1385 Y HN 0.441 nan 8.280 nan 0.000 0.443 1386 I N 4.307 124.611 120.570 -0.443 0.000 2.569 1386 I HA 0.332 4.503 4.170 0.002 0.000 0.296 1386 I C -0.089 175.687 176.117 -0.568 0.000 1.028 1386 I CA -0.928 60.215 61.300 -0.260 0.000 1.082 1386 I CB 2.166 40.091 38.000 -0.125 0.000 1.264 1386 I HN 0.553 nan 8.210 nan 0.000 0.429 1387 S N 4.200 119.839 115.700 -0.101 0.000 2.603 1387 S HA 0.234 4.705 4.470 0.002 0.000 0.268 1387 S C 0.272 174.871 174.600 -0.001 0.000 1.317 1387 S CA -0.485 57.714 58.200 -0.001 0.000 1.012 1387 S CB 0.673 64.037 63.200 0.273 0.000 0.926 1387 S HN 0.562 nan 8.310 nan 0.000 0.539 1388 R N 1.884 122.373 120.500 -0.018 0.000 2.500 1388 R HA -0.025 4.316 4.340 0.002 0.000 0.281 1388 R C -1.132 175.181 176.300 0.021 0.000 0.953 1388 R CA 0.846 56.901 56.100 -0.076 0.000 1.108 1388 R CB -0.206 30.077 30.300 -0.028 0.000 0.901 1388 R HN 0.625 nan 8.270 nan 0.000 0.410 1389 Y N 0.378 120.648 120.300 -0.051 0.000 2.597 1389 Y HA 0.512 5.063 4.550 0.002 0.000 0.340 1389 Y C -1.154 174.723 175.900 -0.038 0.000 1.097 1389 Y CA -1.415 56.660 58.100 -0.042 0.000 1.037 1389 Y CB 1.150 39.575 38.460 -0.058 0.000 1.305 1389 Y HN 0.371 nan 8.280 nan 0.000 0.463 1390 E N 1.014 121.329 120.200 0.191 0.000 2.232 1390 E HA 0.686 5.037 4.350 0.002 0.000 0.265 1390 E C -1.209 175.488 176.600 0.162 0.000 1.001 1390 E CA -0.835 55.628 56.400 0.105 0.000 0.870 1390 E CB 2.490 32.224 29.700 0.055 0.000 1.175 1390 E HN 0.574 nan 8.360 nan 0.000 0.407 1391 V N 1.442 121.409 119.914 0.089 0.000 2.709 1391 V HA 0.396 4.517 4.120 0.002 0.000 0.308 1391 V C -0.761 175.355 176.094 0.037 0.000 1.062 1391 V CA -0.800 61.547 62.300 0.078 0.000 0.901 1391 V CB 2.216 34.090 31.823 0.085 0.000 1.003 1391 V HN 0.551 nan 8.190 nan 0.000 0.425 1392 D N 2.421 122.834 120.400 0.021 0.000 2.859 1392 D HA 0.375 5.016 4.640 0.002 0.000 0.223 1392 D C -0.053 176.260 176.300 0.021 0.000 1.218 1392 D CA -0.431 53.581 54.000 0.020 0.000 0.850 1392 D CB 1.452 42.265 40.800 0.021 0.000 1.656 1392 D HN 0.435 nan 8.370 nan 0.000 0.484 1393 N N 2.442 121.162 118.700 0.032 0.000 2.708 1393 N HA -0.290 4.451 4.740 0.002 0.000 0.251 1393 N C -0.121 175.409 175.510 0.033 0.000 1.017 1393 N CA 1.236 54.309 53.050 0.038 0.000 0.742 1393 N CB -1.136 37.386 38.487 0.058 0.000 0.943 1393 N HN 0.673 nan 8.380 nan 0.000 0.539 1394 N N -1.987 116.730 118.700 0.028 0.000 2.782 1394 N HA -0.238 4.503 4.740 0.002 0.000 0.251 1394 N C -1.187 174.336 175.510 0.021 0.000 1.101 1394 N CA 1.699 54.766 53.050 0.028 0.000 0.764 1394 N CB -0.937 37.569 38.487 0.030 0.000 1.122 1394 N HN 0.609 nan 8.380 nan 0.000 0.561 1395 M N 0.007 119.610 119.600 0.005 0.000 2.321 1395 M HA 0.580 5.061 4.480 0.002 0.000 0.315 1395 M C 0.166 176.439 176.300 -0.046 0.000 1.052 1395 M CA -0.745 54.540 55.300 -0.024 0.000 0.936 1395 M CB 2.087 34.657 32.600 -0.049 0.000 1.639 1395 M HN 0.148 nan 8.290 nan 0.000 0.433 1396 A N 2.516 125.280 122.820 -0.093 0.000 2.451 1396 A HA 0.211 4.532 4.320 0.002 0.000 0.266 1396 A C 0.475 177.993 177.584 -0.110 0.000 1.119 1396 A CA -0.321 51.627 52.037 -0.148 0.000 0.786 1396 A CB 0.211 18.902 19.000 -0.515 0.000 1.061 1396 A HN 0.786 nan 8.150 nan 0.000 0.503 1397 Q N 1.874 121.656 119.800 -0.030 0.000 2.600 1397 Q HA 0.077 4.418 4.340 0.002 0.000 0.276 1397 Q C -0.445 175.553 176.000 -0.004 0.000 1.006 1397 Q CA 0.627 56.413 55.803 -0.029 0.000 0.942 1397 Q CB -0.218 28.522 28.738 0.003 0.000 1.383 1397 Q HN 0.424 nan 8.270 nan 0.000 0.414 1398 K N 0.281 120.658 120.400 -0.039 0.000 2.292 1398 K HA 0.298 4.619 4.320 0.002 0.000 0.257 1398 K C 0.616 177.222 176.600 0.009 0.000 0.940 1398 K CA -0.547 55.732 56.287 -0.014 0.000 0.811 1398 K CB 2.452 34.917 32.500 -0.059 0.000 1.120 1398 K HN -0.153 nan 8.250 nan 0.000 0.428 1399 V N 0.837 120.781 119.914 0.050 0.000 3.174 1399 V HA 0.081 4.202 4.120 0.002 0.000 0.254 1399 V C 0.536 176.676 176.094 0.077 0.000 1.120 1399 V CA 0.693 63.042 62.300 0.082 0.000 1.114 1399 V CB 0.351 32.240 31.823 0.109 0.000 0.756 1399 V HN 0.733 nan 8.190 nan 0.000 0.467 1400 A N 0.276 123.130 122.820 0.057 0.000 2.273 1400 A HA 0.674 4.995 4.320 0.002 0.000 0.315 1400 A C -0.814 176.781 177.584 0.017 0.000 1.256 1400 A CA -0.266 51.801 52.037 0.051 0.000 0.851 1400 A CB 1.156 20.189 19.000 0.056 0.000 1.172 1400 A HN 0.053 nan 8.150 nan 0.000 0.508 1401 V N 5.185 125.099 119.914 0.001 0.000 2.334 1401 V HA 0.301 4.422 4.120 0.002 0.000 0.281 1401 V C -0.395 175.642 176.094 -0.095 0.000 1.016 1401 V CA -0.400 61.861 62.300 -0.065 0.000 0.832 1401 V CB 0.923 32.681 31.823 -0.108 0.000 0.999 1401 V HN 0.700 nan 8.190 nan 0.000 0.439 1402 I N 6.284 126.776 120.570 -0.130 0.000 2.321 1402 I HA 0.492 4.663 4.170 0.002 0.000 0.291 1402 I C -0.155 175.706 176.117 -0.426 0.000 0.998 1402 I CA -0.341 60.783 61.300 -0.294 0.000 1.227 1402 I CB 1.438 39.238 38.000 -0.333 0.000 1.368 1402 I HN 0.416 nan 8.210 nan 0.000 0.466 1403 I N 6.845 127.150 120.570 -0.443 0.000 2.354 1403 I HA 0.293 4.464 4.170 0.002 0.000 0.292 1403 I C -0.858 175.014 176.117 -0.408 0.000 0.989 1403 I CA -0.684 60.419 61.300 -0.327 0.000 1.188 1403 I CB 1.044 38.932 38.000 -0.187 0.000 1.342 1403 I HN 0.342 nan 8.210 nan 0.000 0.457 1404 Y N 6.390 126.701 120.300 0.017 0.000 2.335 1404 Y HA 0.561 5.112 4.550 0.002 0.000 0.339 1404 Y C -0.083 175.823 175.900 0.010 0.000 0.987 1404 Y CA -0.708 57.398 58.100 0.009 0.000 1.140 1404 Y CB 0.853 39.351 38.460 0.064 0.000 1.173 1404 Y HN 0.322 nan 8.280 nan 0.000 0.486 1405 L N 2.789 124.064 121.223 0.087 0.000 2.334 1405 L HA 0.398 4.739 4.340 0.002 0.000 0.275 1405 L C 0.738 177.643 176.870 0.059 0.000 1.036 1405 L CA -0.727 54.148 54.840 0.059 0.000 0.807 1405 L CB 1.201 43.273 42.059 0.021 0.000 1.231 1405 L HN 0.664 nan 8.230 nan 0.000 0.438 1406 N N 1.317 120.046 118.700 0.049 0.000 2.354 1406 N HA -0.033 4.708 4.740 0.002 0.000 0.179 1406 N C -0.234 175.297 175.510 0.034 0.000 1.021 1406 N CA 0.743 53.813 53.050 0.032 0.000 0.887 1406 N CB 0.186 38.689 38.487 0.026 0.000 0.974 1406 N HN 0.585 nan 8.380 nan 0.000 0.437 1407 K N -1.583 118.843 120.400 0.044 0.000 2.568 1407 K HA 0.461 4.782 4.320 0.002 0.000 0.273 1407 K C -1.807 174.838 176.600 0.074 0.000 0.951 1407 K CA -0.760 55.559 56.287 0.054 0.000 0.854 1407 K CB 1.713 34.248 32.500 0.058 0.000 1.424 1407 K HN -0.311 nan 8.250 nan 0.000 0.427 1408 V N 1.545 121.519 119.914 0.100 0.000 2.525 1408 V HA 0.286 4.407 4.120 0.002 0.000 0.299 1408 V C -0.272 175.933 176.094 0.185 0.000 1.034 1408 V CA -0.729 61.663 62.300 0.153 0.000 0.863 1408 V CB 1.696 33.669 31.823 0.250 0.000 0.999 1408 V HN 0.914 nan 8.190 nan 0.000 0.423 1409 S N 3.154 118.947 115.700 0.155 0.000 2.563 1409 S HA 0.044 4.515 4.470 0.002 0.000 0.284 1409 S C 1.132 175.850 174.600 0.197 0.000 1.331 1409 S CA -0.027 58.257 58.200 0.141 0.000 1.047 1409 S CB 0.140 63.368 63.200 0.047 0.000 0.859 1409 S HN 0.966 nan 8.310 nan 0.000 0.514 1410 H N 2.166 121.315 119.070 0.132 0.000 2.520 1410 H HA 0.402 4.959 4.556 0.002 0.000 0.284 1410 H C 0.778 176.136 175.328 0.049 0.000 1.037 1410 H CA 0.055 56.161 56.048 0.097 0.000 1.168 1410 H CB -0.092 29.718 29.762 0.080 0.000 1.497 1410 H HN 0.411 nan 8.280 nan 0.000 0.547 1411 S N 0.063 115.575 115.700 -0.313 0.000 2.694 1411 S HA 0.132 4.603 4.470 0.002 0.000 0.225 1411 S C 0.371 174.921 174.600 -0.083 0.000 1.012 1411 S CA -0.066 57.976 58.200 -0.263 0.000 0.896 1411 S CB 0.938 63.950 63.200 -0.313 0.000 0.838 1411 S HN 0.401 nan 8.310 nan 0.000 0.604 1412 E N 1.514 121.686 120.200 -0.047 0.000 2.256 1412 E HA 0.348 4.699 4.350 0.002 0.000 0.267 1412 E C -1.775 174.845 176.600 0.033 0.000 0.892 1412 E CA -0.659 55.740 56.400 -0.002 0.000 0.775 1412 E CB 1.161 30.857 29.700 -0.008 0.000 1.207 1412 E HN 0.117 nan 8.360 nan 0.000 0.420 1413 D N 2.041 122.467 120.400 0.044 0.000 2.493 1413 D HA -0.017 4.624 4.640 0.002 0.000 0.240 1413 D C -0.460 175.876 176.300 0.060 0.000 1.142 1413 D CA 0.869 54.907 54.000 0.064 0.000 0.872 1413 D CB 0.428 41.258 40.800 0.051 0.000 1.173 1413 D HN 0.177 nan 8.370 nan 0.000 0.467 1414 E N 1.991 122.237 120.200 0.077 0.000 1.993 1414 E HA 0.205 4.556 4.350 0.002 0.000 0.271 1414 E C -0.638 175.998 176.600 0.060 0.000 1.008 1414 E CA -0.495 55.944 56.400 0.066 0.000 0.814 1414 E CB 0.509 30.254 29.700 0.074 0.000 1.098 1414 E HN 0.425 nan 8.360 nan 0.000 0.407 1415 c N 3.697 122.330 118.600 0.056 0.000 2.405 1415 c HA 0.574 5.145 4.570 0.002 0.000 0.365 1415 c C 0.070 174.210 174.090 0.083 0.000 1.233 1415 c CA -0.745 55.621 56.329 0.061 0.000 2.230 1415 c CB -0.612 41.931 42.510 0.055 0.000 2.443 1415 c HN 0.614 nan 8.230 nan 0.000 0.556 1416 L N 1.138 122.414 121.223 0.089 0.000 2.322 1416 L HA 0.979 5.320 4.340 0.002 0.000 0.252 1416 L C -0.640 176.328 176.870 0.162 0.000 1.055 1416 L CA -0.677 54.220 54.840 0.096 0.000 0.849 1416 L CB 1.236 43.319 42.059 0.039 0.000 1.446 1416 L HN 0.932 nan 8.230 nan 0.000 0.416 1417 H N -1.553 117.562 119.070 0.075 0.000 3.060 1417 H HA 0.802 5.359 4.556 0.002 0.000 0.330 1417 H C -1.559 173.867 175.328 0.163 0.000 1.305 1417 H CA -1.027 55.025 56.048 0.006 0.000 1.209 1417 H CB 1.212 30.940 29.762 -0.057 0.000 1.913 1417 H HN 0.951 nan 8.280 nan 0.000 0.534 1418 F N -1.423 118.501 119.950 -0.042 0.000 2.725 1418 F HA 0.530 5.058 4.527 0.002 0.000 0.309 1418 F C -1.545 174.222 175.800 -0.055 0.000 1.132 1418 F CA -1.353 56.601 58.000 -0.076 0.000 0.957 1418 F CB 1.387 40.305 39.000 -0.136 0.000 1.286 1418 F HN 0.582 nan 8.300 nan 0.000 0.440 1419 K N 3.014 123.483 120.400 0.116 0.000 2.295 1419 K HA 0.623 4.944 4.320 0.002 0.000 0.270 1419 K C -0.558 176.079 176.600 0.062 0.000 1.011 1419 K CA -0.409 55.892 56.287 0.024 0.000 0.953 1419 K CB 1.203 33.735 32.500 0.053 0.000 0.956 1419 K HN 0.737 nan 8.250 nan 0.000 0.477 1420 I N 0.166 120.721 120.570 -0.025 0.000 2.582 1420 I HA 0.464 4.635 4.170 0.002 0.000 0.292 1420 I C -1.121 175.084 176.117 0.146 0.000 1.066 1420 I CA -1.173 60.154 61.300 0.045 0.000 1.053 1420 I CB 1.341 39.293 38.000 -0.079 0.000 1.241 1420 I HN 0.353 nan 8.210 nan 0.000 0.421 1421 L N 3.710 125.097 121.223 0.274 0.000 2.323 1421 L HA 0.574 4.915 4.340 0.002 0.000 0.265 1421 L C -0.144 176.897 176.870 0.285 0.000 1.012 1421 L CA -0.904 54.108 54.840 0.286 0.000 0.820 1421 L CB 1.818 43.960 42.059 0.139 0.000 1.334 1421 L HN 0.589 nan 8.230 nan 0.000 0.427 1422 K N 0.888 121.310 120.400 0.037 0.000 2.310 1422 K HA 0.098 4.419 4.320 0.002 0.000 0.290 1422 K C 0.597 177.089 176.600 -0.180 0.000 1.077 1422 K CA -0.126 55.909 56.287 -0.420 0.000 0.922 1422 K CB 0.400 32.609 32.500 -0.484 0.000 1.057 1422 K HN 0.678 nan 8.250 nan 0.000 0.479 1423 H N 4.728 123.608 119.070 -0.316 0.000 2.431 1423 H HA 0.037 4.594 4.556 0.002 0.000 0.295 1423 H C -0.476 174.866 175.328 0.023 0.000 1.038 1423 H CA 0.517 56.512 56.048 -0.089 0.000 1.360 1423 H CB 0.352 30.124 29.762 0.016 0.000 1.433 1423 H HN 0.496 nan 8.280 nan 0.000 0.536 1424 F N 0.104 119.884 119.950 -0.284 0.000 2.641 1424 F HA 0.426 4.954 4.527 0.002 0.000 0.308 1424 F C -1.132 174.536 175.800 -0.220 0.000 1.105 1424 F CA -1.499 56.325 58.000 -0.293 0.000 0.964 1424 F CB 1.408 40.199 39.000 -0.349 0.000 1.294 1424 F HN -0.215 nan 8.300 nan 0.000 0.442 1425 E N 1.966 122.170 120.200 0.007 0.000 2.259 1425 E HA 0.599 4.950 4.350 0.002 0.000 0.281 1425 E C -1.115 175.517 176.600 0.053 0.000 1.027 1425 E CA -0.521 55.846 56.400 -0.054 0.000 0.838 1425 E CB 1.488 31.170 29.700 -0.030 0.000 1.066 1425 E HN 0.832 nan 8.360 nan 0.000 0.401 1426 V N 1.812 121.719 119.914 -0.012 0.000 3.007 1426 V HA 0.723 4.844 4.120 0.002 0.000 0.311 1426 V C 1.063 177.186 176.094 0.047 0.000 1.120 1426 V CA -0.203 62.133 62.300 0.060 0.000 0.980 1426 V CB 1.304 33.182 31.823 0.092 0.000 1.033 1426 V HN 0.703 nan 8.190 nan 0.000 0.429 1427 G N 1.930 110.783 108.800 0.088 0.000 2.806 1427 G HA2 -0.140 3.821 3.960 0.002 0.000 0.214 1427 G HA3 -0.140 3.821 3.960 0.002 0.000 0.214 1427 G C 0.203 175.207 174.900 0.173 0.000 1.331 1427 G CA 1.575 46.744 45.100 0.115 0.000 0.807 1427 G HN 0.829 nan 8.290 nan 0.000 0.644 1428 F N 0.765 120.742 119.950 0.044 0.000 2.379 1428 F HA 0.588 5.116 4.527 0.002 0.000 0.332 1428 F C -0.185 175.662 175.800 0.077 0.000 1.096 1428 F CA -1.948 56.087 58.000 0.057 0.000 1.105 1428 F CB 1.039 40.063 39.000 0.040 0.000 1.189 1428 F HN -0.028 nan 8.300 nan 0.000 0.515 1429 I N 5.518 125.560 120.570 -0.880 0.000 2.359 1429 I HA 0.198 4.369 4.170 0.002 0.000 0.284 1429 I C -0.280 175.347 176.117 -0.817 0.000 1.018 1429 I CA -0.496 60.458 61.300 -0.577 0.000 1.173 1429 I CB 1.122 38.982 38.000 -0.233 0.000 1.326 1429 I HN 0.580 nan 8.210 nan 0.000 0.462 1430 Q N 6.659 126.209 119.800 -0.416 0.000 2.361 1430 Q HA 0.150 4.491 4.340 0.002 0.000 0.276 1430 Q C -2.126 173.835 176.000 -0.065 0.000 1.022 1430 Q CA -1.360 54.346 55.803 -0.162 0.000 0.898 1430 Q CB 0.266 29.011 28.738 0.011 0.000 1.246 1430 Q HN 0.328 nan 8.270 nan 0.000 0.410 1431 P HA -0.031 nan 4.420 nan 0.000 0.269 1431 P C -0.256 176.972 177.300 -0.121 0.000 1.215 1431 P CA 0.068 63.171 63.100 0.006 0.000 0.780 1431 P CB 0.506 32.216 31.700 0.016 0.000 0.898 1432 G N 0.344 108.830 108.800 -0.523 0.000 2.535 1432 G HA2 0.590 4.551 3.960 0.002 0.000 0.303 1432 G HA3 0.590 4.551 3.960 0.002 0.000 0.303 1432 G C -0.778 173.932 174.900 -0.316 0.000 1.237 1432 G CA -0.405 44.344 45.100 -0.584 0.000 0.986 1432 G HN 0.606 nan 8.290 nan 0.000 0.494 1433 S N -2.550 113.092 115.700 -0.096 0.000 2.651 1433 S HA 0.737 5.208 4.470 0.002 0.000 0.279 1433 S C -1.494 173.110 174.600 0.006 0.000 1.148 1433 S CA -0.760 57.337 58.200 -0.171 0.000 0.837 1433 S CB 2.124 65.036 63.200 -0.480 0.000 1.138 1433 S HN 0.868 nan 8.310 nan 0.000 0.478 1434 V N 1.475 121.328 119.914 -0.101 0.000 2.567 1434 V HA 0.488 4.609 4.120 0.002 0.000 0.298 1434 V C -0.839 175.205 176.094 -0.083 0.000 1.047 1434 V CA -0.606 61.670 62.300 -0.040 0.000 0.880 1434 V CB 1.784 33.601 31.823 -0.009 0.000 1.009 1434 V HN 0.908 nan 8.190 nan 0.000 0.429 1435 K N 3.280 123.657 120.400 -0.037 0.000 2.156 1435 K HA 0.879 5.200 4.320 0.002 0.000 0.250 1435 K C -1.342 175.255 176.600 -0.004 0.000 0.955 1435 K CA -0.873 55.423 56.287 0.015 0.000 0.855 1435 K CB 2.787 35.354 32.500 0.112 0.000 1.101 1435 K HN 0.370 nan 8.250 nan 0.000 0.434 1436 V N 3.184 123.090 119.914 -0.014 0.000 2.569 1436 V HA 0.388 4.509 4.120 0.002 0.000 0.301 1436 V C -1.572 174.374 176.094 -0.247 0.000 1.044 1436 V CA -0.870 61.261 62.300 -0.283 0.000 0.874 1436 V CB 0.893 32.436 31.823 -0.467 0.000 1.002 1436 V HN 0.782 nan 8.190 nan 0.000 0.424 1437 Y N 1.941 121.999 120.300 -0.404 0.000 2.625 1437 Y HA 0.888 5.439 4.550 0.002 0.000 0.338 1437 Y C -0.054 175.791 175.900 -0.092 0.000 1.123 1437 Y CA -1.219 56.763 58.100 -0.196 0.000 1.046 1437 Y CB 1.339 39.771 38.460 -0.045 0.000 1.299 1437 Y HN 0.567 nan 8.280 nan 0.000 0.464 1438 S N -0.091 115.752 115.700 0.238 0.000 2.786 1438 S HA 0.339 4.810 4.470 0.002 0.000 0.307 1438 S C 0.217 174.936 174.600 0.197 0.000 1.121 1438 S CA -0.382 57.928 58.200 0.183 0.000 0.975 1438 S CB 1.110 64.455 63.200 0.242 0.000 1.220 1438 S HN 0.888 nan 8.310 nan 0.000 0.550 1439 Y N 0.446 120.747 120.300 0.001 0.000 2.184 1439 Y HA -0.013 4.538 4.550 0.002 0.000 0.290 1439 Y C 1.572 177.394 175.900 -0.129 0.000 1.129 1439 Y CA 1.479 59.509 58.100 -0.118 0.000 1.144 1439 Y CB -0.500 37.767 38.460 -0.321 0.000 0.995 1439 Y HN 0.721 nan 8.280 nan 0.000 0.513 1440 Y N -0.007 120.352 120.300 0.099 0.000 2.583 1440 Y HA 0.074 4.625 4.550 0.002 0.000 0.293 1440 Y C 0.214 176.126 175.900 0.021 0.000 1.157 1440 Y CA 0.728 58.834 58.100 0.011 0.000 1.315 1440 Y CB -0.349 38.178 38.460 0.112 0.000 1.021 1440 Y HN 0.174 nan 8.280 nan 0.000 0.536 1441 N N -0.043 118.774 118.700 0.196 0.000 2.757 1441 N HA 0.235 4.976 4.740 0.002 0.000 0.296 1441 N C 0.381 175.999 175.510 0.179 0.000 1.874 1441 N CA -0.006 53.169 53.050 0.208 0.000 0.885 1441 N CB 0.269 38.950 38.487 0.325 0.000 1.242 1441 N HN 0.174 nan 8.380 nan 0.000 0.488 1442 L N -0.510 120.754 121.223 0.068 0.000 2.418 1442 L HA 0.033 4.374 4.340 0.002 0.000 0.218 1442 L C 1.045 177.887 176.870 -0.046 0.000 1.125 1442 L CA 0.838 55.694 54.840 0.027 0.000 0.835 1442 L CB 0.059 42.083 42.059 -0.058 0.000 0.953 1442 L HN 0.396 nan 8.230 nan 0.000 0.454 1443 D N 0.399 120.793 120.400 -0.010 0.000 2.162 1443 D HA -0.039 4.602 4.640 0.002 0.000 0.252 1443 D C 0.459 176.742 176.300 -0.028 0.000 1.095 1443 D CA 0.383 54.365 54.000 -0.029 0.000 0.928 1443 D CB -0.290 40.507 40.800 -0.005 0.000 0.989 1443 D HN 0.174 nan 8.370 nan 0.000 0.401 1444 E N 1.246 121.455 120.200 0.016 0.000 2.480 1444 E HA 0.096 4.447 4.350 0.002 0.000 0.258 1444 E C -0.198 176.433 176.600 0.051 0.000 0.984 1444 E CA 0.658 57.075 56.400 0.029 0.000 0.930 1444 E CB 0.616 30.345 29.700 0.048 0.000 0.936 1444 E HN 0.086 nan 8.360 nan 0.000 0.466 1445 K N 1.975 122.389 120.400 0.022 0.000 2.259 1445 K HA 0.327 4.648 4.320 0.002 0.000 0.252 1445 K C -0.933 175.706 176.600 0.065 0.000 0.936 1445 K CA -0.815 55.493 56.287 0.035 0.000 0.810 1445 K CB 1.892 34.345 32.500 -0.078 0.000 1.143 1445 K HN 0.447 nan 8.250 nan 0.000 0.427 1446 c N 2.485 121.143 118.600 0.098 0.000 2.415 1446 c HA 0.451 5.022 4.570 0.002 0.000 0.369 1446 c C -0.364 173.741 174.090 0.025 0.000 1.279 1446 c CA 0.238 56.617 56.329 0.085 0.000 1.886 1446 c CB -0.829 41.761 42.510 0.132 0.000 2.468 1446 c HN 0.719 nan 8.230 nan 0.000 0.553 1447 T N 6.204 120.756 114.554 -0.004 0.000 2.928 1447 T HA 0.475 4.826 4.350 0.002 0.000 0.296 1447 T C -1.009 173.607 174.700 -0.140 0.000 1.000 1447 T CA -0.755 61.279 62.100 -0.111 0.000 0.989 1447 T CB 1.324 70.099 68.868 -0.155 0.000 1.005 1447 T HN 0.645 nan 8.240 nan 0.000 0.442 1448 K N 1.814 122.092 120.400 -0.204 0.000 2.340 1448 K HA 0.696 5.017 4.320 0.002 0.000 0.244 1448 K C -1.230 175.193 176.600 -0.296 0.000 0.973 1448 K CA -0.800 55.418 56.287 -0.115 0.000 0.828 1448 K CB 2.275 34.787 32.500 0.020 0.000 1.226 1448 K HN 0.457 nan 8.250 nan 0.000 0.437 1449 F N 0.745 120.748 119.950 0.088 0.000 2.507 1449 F HA 0.424 4.952 4.527 0.002 0.000 0.327 1449 F C -0.206 175.670 175.800 0.126 0.000 1.068 1449 F CA -0.831 57.206 58.000 0.062 0.000 0.965 1449 F CB 1.249 40.253 39.000 0.007 0.000 1.192 1449 F HN 0.407 nan 8.300 nan 0.000 0.476 1450 Y N 0.007 120.426 120.300 0.198 0.000 2.457 1450 Y HA 0.678 5.229 4.550 0.002 0.000 0.343 1450 Y C -1.473 174.501 175.900 0.124 0.000 0.994 1450 Y CA -0.956 57.204 58.100 0.100 0.000 1.031 1450 Y CB 1.325 39.779 38.460 -0.011 0.000 1.246 1450 Y HN 0.700 nan 8.280 nan 0.000 0.449 1451 H N 4.380 123.502 119.070 0.087 0.000 2.974 1451 H HA 0.298 4.855 4.556 0.002 0.000 0.366 1451 H C -2.569 172.776 175.328 0.028 0.000 1.155 1451 H CA -2.203 53.844 56.048 -0.002 0.000 1.186 1451 H CB 3.287 33.030 29.762 -0.031 0.000 1.799 1451 H HN 0.479 nan 8.280 nan 0.000 0.541 1452 P HA -0.094 nan 4.420 nan 0.000 0.216 1452 P C 0.308 177.650 177.300 0.069 0.000 1.150 1452 P CA 1.264 64.296 63.100 -0.115 0.000 0.837 1452 P CB 0.455 32.022 31.700 -0.222 0.000 0.786 1453 D N -1.471 119.116 120.400 0.312 0.000 2.369 1453 D HA 0.087 4.728 4.640 0.002 0.000 0.211 1453 D C 0.155 176.580 176.300 0.208 0.000 1.077 1453 D CA 0.481 54.644 54.000 0.272 0.000 0.842 1453 D CB 0.215 41.194 40.800 0.297 0.000 0.947 1453 D HN 0.233 nan 8.370 nan 0.000 0.509 1454 K N -0.233 120.309 120.400 0.237 0.000 2.545 1454 K HA 0.428 4.749 4.320 0.002 0.000 0.252 1454 K C 0.986 177.654 176.600 0.112 0.000 0.948 1454 K CA -0.524 55.830 56.287 0.111 0.000 0.827 1454 K CB 2.261 34.772 32.500 0.019 0.000 1.128 1454 K HN -0.168 nan 8.250 nan 0.000 0.429 1455 G N 1.026 109.873 108.800 0.077 0.000 2.586 1455 G HA2 -0.189 3.772 3.960 0.002 0.000 0.215 1455 G HA3 -0.189 3.772 3.960 0.002 0.000 0.215 1455 G C 0.800 175.748 174.900 0.080 0.000 1.128 1455 G CA 1.326 46.468 45.100 0.069 0.000 0.774 1455 G HN 0.683 nan 8.290 nan 0.000 0.543 1456 T N -5.056 109.552 114.554 0.090 0.000 3.130 1456 T HA 0.407 4.758 4.350 0.002 0.000 0.288 1456 T C 1.578 176.370 174.700 0.152 0.000 0.936 1456 T CA 0.752 62.920 62.100 0.114 0.000 0.897 1456 T CB 0.453 69.375 68.868 0.089 0.000 1.178 1456 T HN 1.212 nan 8.240 nan 0.000 0.543 1457 G N 2.033 110.909 108.800 0.126 0.000 2.153 1457 G HA2 -0.227 3.734 3.960 0.002 0.000 0.252 1457 G HA3 -0.227 3.734 3.960 0.002 0.000 0.252 1457 G C -0.041 174.842 174.900 -0.029 0.000 0.994 1457 G CA 0.187 45.359 45.100 0.120 0.000 0.698 1457 G HN 0.650 nan 8.290 nan 0.000 0.521 1458 L N 0.472 121.666 121.223 -0.049 0.000 2.380 1458 L HA 0.420 4.761 4.340 0.002 0.000 0.273 1458 L C 1.427 178.218 176.870 -0.131 0.000 1.138 1458 L CA -0.771 53.991 54.840 -0.129 0.000 0.832 1458 L CB 0.810 42.829 42.059 -0.067 0.000 1.124 1458 L HN 0.066 nan 8.230 nan 0.000 0.454 1459 L N 3.175 124.302 121.223 -0.161 0.000 2.461 1459 L HA 0.038 4.379 4.340 0.002 0.000 0.272 1459 L C 0.509 177.324 176.870 -0.093 0.000 1.197 1459 L CA 0.026 54.801 54.840 -0.107 0.000 0.836 1459 L CB 0.199 42.196 42.059 -0.104 0.000 1.105 1459 L HN 0.628 nan 8.230 nan 0.000 0.477 1460 N N 2.927 121.575 118.700 -0.087 0.000 2.452 1460 N HA 0.202 4.943 4.740 0.002 0.000 0.266 1460 N C -0.868 174.602 175.510 -0.067 0.000 1.175 1460 N CA -0.047 52.960 53.050 -0.072 0.000 0.945 1460 N CB 0.508 38.951 38.487 -0.072 0.000 1.063 1460 N HN 0.442 nan 8.380 nan 0.000 0.472 1461 K N 1.465 121.833 120.400 -0.053 0.000 2.551 1461 K HA 0.506 4.827 4.320 0.002 0.000 0.269 1461 K C -1.611 174.968 176.600 -0.034 0.000 0.949 1461 K CA -0.752 55.508 56.287 -0.044 0.000 0.849 1461 K CB 1.461 33.934 32.500 -0.045 0.000 1.411 1461 K HN 0.241 nan 8.250 nan 0.000 0.432 1462 I N 1.289 121.841 120.570 -0.030 0.000 2.562 1462 I HA 0.459 4.630 4.170 0.002 0.000 0.301 1462 I C -0.666 175.437 176.117 -0.023 0.000 1.003 1462 I CA -1.037 60.248 61.300 -0.026 0.000 1.127 1462 I CB 1.948 39.932 38.000 -0.027 0.000 1.304 1462 I HN 0.625 nan 8.210 nan 0.000 0.446 1463 c N 5.342 123.930 118.600 -0.020 0.000 2.634 1463 c HA 0.612 5.183 4.570 0.002 0.000 0.313 1463 c C -0.364 173.717 174.090 -0.016 0.000 1.198 1463 c CA -0.452 55.867 56.329 -0.016 0.000 1.605 1463 c CB 1.463 43.966 42.510 -0.011 0.000 2.196 1463 c HN 0.505 nan 8.230 nan 0.000 0.486 1464 I N 3.258 123.818 120.570 -0.016 0.000 2.537 1464 I HA 0.541 4.712 4.170 0.002 0.000 0.276 1464 I C 0.890 177.001 176.117 -0.010 0.000 1.063 1464 I CA 1.169 62.459 61.300 -0.016 0.000 1.144 1464 I CB 0.630 38.617 38.000 -0.023 0.000 1.252 1464 I HN 1.065 nan 8.210 nan 0.000 0.480 1465 G N 5.078 113.875 108.800 -0.006 0.000 3.181 1465 G HA2 -0.361 3.600 3.960 0.002 0.000 0.322 1465 G HA3 -0.361 3.600 3.960 0.002 0.000 0.322 1465 G C 1.021 175.922 174.900 0.001 0.000 1.246 1465 G CA 0.642 45.741 45.100 -0.001 0.000 0.989 1465 G HN 0.441 nan 8.290 nan 0.000 0.607 1466 N N 0.273 118.973 118.700 0.001 0.000 2.197 1466 N HA 0.265 5.006 4.740 0.002 0.000 0.201 1466 N C 0.178 175.686 175.510 -0.002 0.000 1.148 1466 N CA 0.651 53.702 53.050 0.002 0.000 0.883 1466 N CB 1.292 39.783 38.487 0.007 0.000 1.012 1466 N HN 0.384 nan 8.380 nan 0.000 0.507 1467 V N 2.046 121.956 119.914 -0.007 0.000 2.385 1467 V HA 0.240 4.361 4.120 0.002 0.000 0.269 1467 V C 0.000 176.085 176.094 -0.014 0.000 1.043 1467 V CA -0.520 61.773 62.300 -0.011 0.000 0.906 1467 V CB 0.807 32.620 31.823 -0.016 0.000 0.995 1467 V HN 0.125 nan 8.190 nan 0.000 0.467 1468 c N 6.688 125.279 118.600 -0.014 0.000 2.382 1468 c HA 0.737 5.308 4.570 0.002 0.000 0.327 1468 c C 0.193 174.272 174.090 -0.019 0.000 1.250 1468 c CA -1.097 55.222 56.329 -0.017 0.000 1.707 1468 c CB 1.246 43.745 42.510 -0.017 0.000 2.272 1468 c HN 0.771 nan 8.230 nan 0.000 0.506 1469 R N 0.889 121.376 120.500 -0.021 0.000 2.778 1469 R HA 0.439 4.780 4.340 0.002 0.000 0.277 1469 R C -0.668 175.618 176.300 -0.025 0.000 0.977 1469 R CA -0.528 55.560 56.100 -0.019 0.000 0.950 1469 R CB 1.260 31.551 30.300 -0.015 0.000 1.165 1469 R HN 0.817 nan 8.270 nan 0.000 0.474 1470 C N 1.472 120.757 119.300 -0.026 0.000 2.629 1470 C HA 0.334 4.795 4.460 0.002 0.000 0.410 1470 C C 1.643 176.611 174.990 -0.036 0.000 1.339 1470 C CA 0.141 59.137 59.018 -0.038 0.000 1.810 1470 C CB -0.583 27.132 27.740 -0.042 0.000 2.549 1470 C HN 0.847 nan 8.230 nan 0.000 0.589 1471 A N 4.046 126.838 122.820 -0.047 0.000 2.169 1471 A HA 0.584 4.905 4.320 0.002 0.000 0.210 1471 A C 1.040 178.592 177.584 -0.053 0.000 1.168 1471 A CA 0.910 52.923 52.037 -0.041 0.000 0.813 1471 A CB -0.601 18.375 19.000 -0.041 0.000 0.861 1471 A HN 2.262 nan 8.150 nan 0.000 0.481 1472 G N -0.737 108.015 108.800 -0.080 0.000 2.784 1472 G HA2 -0.001 3.960 3.960 0.002 0.000 0.686 1472 G HA3 -0.001 3.960 3.960 0.002 0.000 0.686 1472 G C -0.137 174.676 174.900 -0.145 0.000 1.156 1472 G CA -0.026 45.011 45.100 -0.106 0.000 0.757 1472 G HN -0.006 nan 8.290 nan 0.000 0.642 1473 E N 0.109 120.172 120.200 -0.229 0.000 2.190 1473 E HA 0.072 4.423 4.350 0.002 0.000 0.191 1473 E C 2.040 178.544 176.600 -0.161 0.000 0.978 1473 E CA 1.436 57.657 56.400 -0.298 0.000 0.839 1473 E CB -0.181 29.072 29.700 -0.745 0.000 0.787 1473 E HN 0.684 nan 8.360 nan 0.000 0.473 1474 T N 0.100 114.575 114.554 -0.132 0.000 2.750 1474 T HA 0.108 4.459 4.350 0.002 0.000 0.351 1474 T C 0.306 174.978 174.700 -0.048 0.000 1.082 1474 T CA -0.106 61.956 62.100 -0.064 0.000 1.022 1474 T CB 0.580 69.414 68.868 -0.056 0.000 1.249 1474 T HN 0.084 nan 8.240 nan 0.000 0.520 1475 c N 1.402 119.983 118.600 -0.032 0.000 2.446 1475 c HA 0.619 5.190 4.570 0.002 0.000 0.329 1475 c C 0.614 174.685 174.090 -0.033 0.000 1.166 1475 c CA -0.753 55.561 56.329 -0.026 0.000 1.341 1475 c CB 0.636 43.139 42.510 -0.012 0.000 1.970 1475 c HN 0.954 nan 8.230 nan 0.000 0.452 1476 S N 3.102 118.783 115.700 -0.033 0.000 2.559 1476 S HA 0.415 4.886 4.470 0.002 0.000 0.282 1476 S C 0.196 174.759 174.600 -0.061 0.000 1.336 1476 S CA 0.645 58.816 58.200 -0.048 0.000 1.037 1476 S CB 0.346 63.526 63.200 -0.033 0.000 0.853 1476 S HN 1.265 nan 8.310 nan 0.000 0.523 1477 S N 4.759 120.398 115.700 -0.101 0.000 2.595 1477 S HA 0.582 5.053 4.470 0.002 0.000 0.281 1477 S C -0.767 173.730 174.600 -0.172 0.000 1.117 1477 S CA -1.052 57.082 58.200 -0.111 0.000 0.873 1477 S CB 1.030 64.171 63.200 -0.100 0.000 1.108 1477 S HN 0.693 nan 8.310 nan 0.000 0.477 1478 L N 1.893 123.027 121.223 -0.148 0.000 2.439 1478 L HA 0.490 4.831 4.340 0.002 0.000 0.261 1478 L C -0.162 176.587 176.870 -0.202 0.000 1.153 1478 L CA -0.062 54.672 54.840 -0.178 0.000 0.808 1478 L CB 0.783 42.779 42.059 -0.106 0.000 1.126 1478 L HN 0.966 nan 8.230 nan 0.000 0.460 1479 N N 1.246 119.793 118.700 -0.254 0.000 2.417 1479 N HA 0.413 5.154 4.740 0.002 0.000 0.300 1479 N C -1.250 174.233 175.510 -0.045 0.000 1.102 1479 N CA -0.465 52.421 53.050 -0.274 0.000 0.886 1479 N CB 0.883 39.003 38.487 -0.610 0.000 1.203 1479 N HN 0.441 nan 8.380 nan 0.000 0.496 1480 H N 1.530 120.549 119.070 -0.086 0.000 3.188 1480 H HA 0.189 4.746 4.556 0.002 0.000 0.325 1480 H C -1.607 173.732 175.328 0.018 0.000 1.033 1480 H CA -0.371 55.679 56.048 0.004 0.000 1.443 1480 H CB 0.823 30.599 29.762 0.024 0.000 1.968 1480 H HN 0.617 nan 8.280 nan 0.000 0.449 1481 Q N 3.046 122.911 119.800 0.109 0.000 2.337 1481 Q HA 0.204 4.545 4.340 0.002 0.000 0.266 1481 Q C 0.894 177.002 176.000 0.180 0.000 1.023 1481 Q CA -0.769 55.123 55.803 0.148 0.000 0.829 1481 Q CB 2.438 31.218 28.738 0.070 0.000 1.306 1481 Q HN 0.709 nan 8.270 nan 0.000 0.449 1482 E N 1.014 121.349 120.200 0.224 0.000 2.347 1482 E HA -0.039 4.312 4.350 0.002 0.000 0.196 1482 E C -0.015 176.660 176.600 0.126 0.000 1.008 1482 E CA 0.606 57.135 56.400 0.216 0.000 0.852 1482 E CB 0.376 30.174 29.700 0.162 0.000 0.783 1482 E HN 0.182 nan 8.360 nan 0.000 0.505 1483 R N 0.922 121.468 120.500 0.078 0.000 2.532 1483 R HA 0.444 4.785 4.340 0.002 0.000 0.297 1483 R C -0.884 175.413 176.300 -0.005 0.000 0.984 1483 R CA -0.756 55.367 56.100 0.038 0.000 0.884 1483 R CB 1.477 31.796 30.300 0.033 0.000 1.182 1483 R HN 0.074 nan 8.270 nan 0.000 0.442 1484 I N 2.399 122.931 120.570 -0.064 0.000 2.281 1484 I HA 0.030 4.201 4.170 0.002 0.000 0.293 1484 I C 0.296 176.355 176.117 -0.097 0.000 1.085 1484 I CA -0.617 60.599 61.300 -0.140 0.000 1.257 1484 I CB 0.804 38.586 38.000 -0.364 0.000 1.430 1484 I HN 0.384 nan 8.210 nan 0.000 0.489 1485 D N 6.321 126.690 120.400 -0.052 0.000 2.376 1485 D HA -0.014 4.627 4.640 0.002 0.000 0.278 1485 D C 1.168 177.448 176.300 -0.033 0.000 1.384 1485 D CA 0.116 54.098 54.000 -0.030 0.000 1.033 1485 D CB 0.956 41.748 40.800 -0.012 0.000 1.102 1485 D HN 0.306 nan 8.370 nan 0.000 0.530 1486 V N 5.612 125.513 119.914 -0.022 0.000 2.324 1486 V HA -0.184 3.937 4.120 0.002 0.000 0.250 1486 V C -0.656 175.447 176.094 0.016 0.000 1.060 1486 V CA 1.492 63.805 62.300 0.021 0.000 1.042 1486 V CB -1.445 30.391 31.823 0.022 0.000 0.650 1486 V HN 0.567 nan 8.190 nan 0.000 0.450 1487 P HA -0.125 nan 4.420 nan 0.000 0.214 1487 P C 1.957 179.237 177.300 -0.034 0.000 1.163 1487 P CA 1.206 64.284 63.100 -0.037 0.000 0.883 1487 P CB -0.060 31.617 31.700 -0.037 0.000 0.788 1488 L N -0.785 120.424 121.223 -0.023 0.000 2.156 1488 L HA -0.067 4.274 4.340 0.002 0.000 0.208 1488 L C 2.363 179.215 176.870 -0.029 0.000 1.095 1488 L CA 1.720 56.546 54.840 -0.024 0.000 0.770 1488 L CB -1.324 40.730 42.059 -0.008 0.000 0.914 1488 L HN -0.152 nan 8.230 nan 0.000 0.439 1489 Q N -0.802 118.989 119.800 -0.014 0.000 2.291 1489 Q HA -0.156 4.185 4.340 0.002 0.000 0.206 1489 Q C 1.874 177.929 176.000 0.092 0.000 0.976 1489 Q CA 1.297 57.094 55.803 -0.010 0.000 0.875 1489 Q CB 0.005 28.689 28.738 -0.090 0.000 0.927 1489 Q HN 0.417 nan 8.270 nan 0.000 0.450 1490 I N 0.057 120.650 120.570 0.038 0.000 2.206 1490 I HA -0.168 4.003 4.170 0.002 0.000 0.239 1490 I C 1.810 177.818 176.117 -0.182 0.000 1.078 1490 I CA 1.352 62.603 61.300 -0.081 0.000 1.367 1490 I CB -1.157 36.768 38.000 -0.125 0.000 1.078 1490 I HN 0.316 nan 8.210 nan 0.000 0.413 1491 E N 0.917 121.032 120.200 -0.142 0.000 2.209 1491 E HA -0.226 4.125 4.350 0.002 0.000 0.196 1491 E C 2.003 178.484 176.600 -0.198 0.000 0.993 1491 E CA 1.055 57.365 56.400 -0.149 0.000 0.819 1491 E CB -0.053 29.590 29.700 -0.094 0.000 0.745 1491 E HN 0.477 nan 8.360 nan 0.000 0.477 1492 K N 0.029 120.289 120.400 -0.233 0.000 2.186 1492 K HA 0.060 4.381 4.320 0.002 0.000 0.202 1492 K C 1.937 178.081 176.600 -0.761 0.000 1.052 1492 K CA 0.764 56.877 56.287 -0.290 0.000 0.965 1492 K CB 0.231 32.678 32.500 -0.088 0.000 0.746 1492 K HN 0.006 nan 8.250 nan 0.000 0.457 1493 A N -0.034 122.179 122.820 -1.012 0.000 2.081 1493 A HA -0.031 4.290 4.320 0.002 0.000 0.214 1493 A C 1.578 178.714 177.584 -0.745 0.000 1.158 1493 A CA 0.499 51.683 52.037 -1.421 0.000 0.724 1493 A CB -0.147 18.241 19.000 -1.020 0.000 0.826 1493 A HN 0.316 nan 8.150 nan 0.000 0.463 1494 c N 0.935 119.251 118.600 -0.474 0.000 2.525 1494 c HA 0.302 4.873 4.570 0.002 0.000 0.313 1494 c C 0.799 174.735 174.090 -0.256 0.000 1.311 1494 c CA -0.587 55.554 56.329 -0.313 0.000 1.725 1494 c CB -1.864 40.508 42.510 -0.230 0.000 1.926 1494 c HN 0.550 nan 8.230 nan 0.000 0.595 1495 E N -0.015 120.004 120.200 -0.302 0.000 2.392 1495 E HA 0.067 4.418 4.350 0.002 0.000 0.256 1495 E C 1.433 177.933 176.600 -0.165 0.000 1.145 1495 E CA 0.292 56.570 56.400 -0.203 0.000 0.929 1495 E CB 0.661 30.249 29.700 -0.187 0.000 0.998 1495 E HN 0.174 nan 8.360 nan 0.000 0.442 1496 T N 0.779 115.269 114.554 -0.107 0.000 2.821 1496 T HA -0.121 4.230 4.350 0.002 0.000 0.267 1496 T C 1.156 175.814 174.700 -0.070 0.000 1.046 1496 T CA 1.630 63.683 62.100 -0.078 0.000 1.139 1496 T CB -0.255 68.583 68.868 -0.050 0.000 0.871 1496 T HN 0.545 nan 8.240 nan 0.000 0.454 1497 N N 0.987 119.649 118.700 -0.065 0.000 2.412 1497 N HA 0.009 4.750 4.740 0.002 0.000 0.184 1497 N C 0.167 175.637 175.510 -0.067 0.000 1.101 1497 N CA 0.128 53.155 53.050 -0.040 0.000 0.881 1497 N CB -0.335 38.147 38.487 -0.008 0.000 0.969 1497 N HN 0.259 nan 8.380 nan 0.000 0.459 1498 V N 1.924 121.750 119.914 -0.147 0.000 2.405 1498 V HA 0.042 4.163 4.120 0.002 0.000 0.264 1498 V C 0.919 176.887 176.094 -0.210 0.000 1.048 1498 V CA -0.186 61.969 62.300 -0.242 0.000 0.966 1498 V CB 0.579 32.108 31.823 -0.489 0.000 1.015 1498 V HN 0.094 nan 8.190 nan 0.000 0.477 1499 D N 3.417 123.707 120.400 -0.184 0.000 2.197 1499 D HA 0.053 4.694 4.640 0.002 0.000 0.212 1499 D C 0.341 176.627 176.300 -0.023 0.000 0.963 1499 D CA 0.851 54.820 54.000 -0.052 0.000 0.864 1499 D CB 0.345 41.207 40.800 0.102 0.000 1.009 1499 D HN 0.674 nan 8.370 nan 0.000 0.479 1500 Y N -1.980 118.243 120.300 -0.128 0.000 2.609 1500 Y HA 0.667 5.218 4.550 0.002 0.000 0.342 1500 Y C -1.437 174.284 175.900 -0.299 0.000 1.058 1500 Y CA -1.547 56.394 58.100 -0.264 0.000 1.055 1500 Y CB 1.194 39.373 38.460 -0.468 0.000 1.292 1500 Y HN -0.277 nan 8.280 nan 0.000 0.476 1501 V N 2.216 122.066 119.914 -0.106 0.000 2.686 1501 V HA 0.495 4.616 4.120 0.002 0.000 0.306 1501 V C -1.502 174.667 176.094 0.125 0.000 1.065 1501 V CA -0.860 61.468 62.300 0.048 0.000 0.894 1501 V CB 1.230 33.159 31.823 0.176 0.000 1.004 1501 V HN 0.760 nan 8.190 nan 0.000 0.424 1502 Y N 1.453 121.989 120.300 0.394 0.000 2.605 1502 Y HA 0.632 5.183 4.550 0.002 0.000 0.343 1502 Y C 0.004 176.105 175.900 0.335 0.000 1.036 1502 Y CA -1.836 56.438 58.100 0.290 0.000 1.065 1502 Y CB 1.919 40.481 38.460 0.170 0.000 1.288 1502 Y HN 0.555 nan 8.280 nan 0.000 0.481 1503 K N 1.362 122.031 120.400 0.448 0.000 2.213 1503 K HA 0.657 4.978 4.320 0.002 0.000 0.270 1503 K C -1.228 175.452 176.600 0.134 0.000 1.002 1503 K CA -0.350 56.118 56.287 0.301 0.000 0.868 1503 K CB 0.746 33.260 32.500 0.022 0.000 1.093 1503 K HN 0.851 nan 8.250 nan 0.000 0.454 1504 T N 0.839 115.471 114.554 0.131 0.000 2.912 1504 T HA 0.316 4.667 4.350 0.002 0.000 0.299 1504 T C -0.920 173.791 174.700 0.019 0.000 1.052 1504 T CA -1.039 61.114 62.100 0.089 0.000 0.996 1504 T CB 1.577 70.547 68.868 0.170 0.000 1.070 1504 T HN 0.537 nan 8.240 nan 0.000 0.465 1505 K N 2.094 122.480 120.400 -0.023 0.000 2.156 1505 K HA 0.460 4.781 4.320 0.002 0.000 0.271 1505 K C -0.703 175.941 176.600 0.074 0.000 0.995 1505 K CA -1.032 55.221 56.287 -0.058 0.000 0.890 1505 K CB 0.901 33.352 32.500 -0.081 0.000 1.073 1505 K HN 0.518 nan 8.250 nan 0.000 0.454 1506 L N 7.156 128.458 121.223 0.132 0.000 2.433 1506 L HA 0.049 4.390 4.340 0.002 0.000 0.284 1506 L C 0.747 177.670 176.870 0.087 0.000 1.120 1506 L CA 0.230 55.174 54.840 0.172 0.000 0.879 1506 L CB 0.008 42.215 42.059 0.247 0.000 1.232 1506 L HN 0.844 nan 8.230 nan 0.000 0.454 1507 L N 4.233 125.508 121.223 0.087 0.000 2.007 1507 L HA 0.028 4.369 4.340 0.002 0.000 0.205 1507 L C 1.235 178.143 176.870 0.063 0.000 1.073 1507 L CA 1.352 56.232 54.840 0.067 0.000 0.744 1507 L CB -0.378 41.725 42.059 0.073 0.000 0.898 1507 L HN 0.670 nan 8.230 nan 0.000 0.435 1508 R N -1.427 119.123 120.500 0.083 0.000 3.041 1508 R HA 0.670 5.011 4.340 0.002 0.000 0.254 1508 R C -1.059 175.310 176.300 0.114 0.000 1.244 1508 R CA -0.860 55.289 56.100 0.082 0.000 1.023 1508 R CB 1.876 32.225 30.300 0.082 0.000 1.332 1508 R HN -0.123 nan 8.270 nan 0.000 0.463 1509 I N 1.186 121.834 120.570 0.129 0.000 2.637 1509 I HA 0.203 4.374 4.170 0.002 0.000 0.285 1509 I C -1.313 174.897 176.117 0.155 0.000 1.222 1509 I CA -0.275 61.151 61.300 0.210 0.000 1.067 1509 I CB 2.315 40.425 38.000 0.184 0.000 1.279 1509 I HN 0.553 nan 8.210 nan 0.000 0.441 1510 E N 5.176 125.463 120.200 0.145 0.000 2.244 1510 E HA 0.524 4.875 4.350 0.002 0.000 0.266 1510 E C -1.096 175.541 176.600 0.061 0.000 0.914 1510 E CA -0.880 55.572 56.400 0.086 0.000 0.794 1510 E CB 2.528 32.269 29.700 0.069 0.000 1.210 1510 E HN 0.383 nan 8.360 nan 0.000 0.414 1511 E N 1.976 122.202 120.200 0.043 0.000 2.182 1511 E HA 0.193 4.544 4.350 0.002 0.000 0.258 1511 E C -1.243 175.366 176.600 0.015 0.000 0.879 1511 E CA -0.628 55.787 56.400 0.025 0.000 0.754 1511 E CB 1.767 31.485 29.700 0.030 0.000 1.162 1511 E HN 0.156 nan 8.360 nan 0.000 0.419 1512 Q N 2.767 122.570 119.800 0.004 0.000 2.337 1512 Q HA 0.172 4.513 4.340 0.002 0.000 0.270 1512 Q C -1.449 174.549 176.000 -0.003 0.000 1.043 1512 Q CA -0.477 55.327 55.803 0.003 0.000 0.794 1512 Q CB 0.960 29.700 28.738 0.003 0.000 1.281 1512 Q HN 0.336 nan 8.270 nan 0.000 0.446 1513 D N 3.915 124.315 120.400 0.001 0.000 3.003 1513 D HA -0.161 4.480 4.640 0.002 0.000 0.223 1513 D C 0.577 176.873 176.300 -0.006 0.000 1.204 1513 D CA 1.847 55.847 54.000 -0.001 0.000 0.828 1513 D CB -1.053 39.746 40.800 -0.002 0.000 0.918 1513 D HN 1.104 nan 8.370 nan 0.000 0.401 1514 G N 0.740 109.539 108.800 -0.003 0.000 2.309 1514 G HA2 -0.365 3.596 3.960 0.002 0.000 0.286 1514 G HA3 -0.365 3.596 3.960 0.002 0.000 0.286 1514 G C 0.178 175.067 174.900 -0.018 0.000 1.002 1514 G CA 0.503 45.600 45.100 -0.005 0.000 0.786 1514 G HN 0.551 nan 8.290 nan 0.000 0.511 1515 N N 0.362 119.047 118.700 -0.025 0.000 2.321 1515 N HA 0.392 5.133 4.740 0.002 0.000 0.299 1515 N C -1.404 174.061 175.510 -0.075 0.000 1.048 1515 N CA -0.659 52.360 53.050 -0.053 0.000 0.836 1515 N CB 1.530 39.987 38.487 -0.049 0.000 1.269 1515 N HN -0.025 nan 8.380 nan 0.000 0.486 1516 D N 1.755 122.060 120.400 -0.159 0.000 2.441 1516 D HA 0.202 4.843 4.640 0.002 0.000 0.221 1516 D C 0.195 176.245 176.300 -0.416 0.000 1.156 1516 D CA -0.255 53.580 54.000 -0.275 0.000 0.896 1516 D CB 0.536 41.063 40.800 -0.456 0.000 1.028 1516 D HN 0.303 nan 8.370 nan 0.000 0.509 1517 I N 3.510 123.989 120.570 -0.151 0.000 2.293 1517 I HA 0.000 4.171 4.170 0.002 0.000 0.299 1517 I C -0.105 176.067 176.117 0.091 0.000 1.153 1517 I CA -0.549 60.718 61.300 -0.053 0.000 1.302 1517 I CB -1.112 36.899 38.000 0.019 0.000 1.460 1517 I HN 0.123 nan 8.210 nan 0.000 0.552 1518 Y N 4.909 125.281 120.300 0.121 0.000 2.594 1518 Y HA 0.162 4.713 4.550 0.002 0.000 0.344 1518 Y C 0.838 176.830 175.900 0.153 0.000 1.185 1518 Y CA -0.917 57.249 58.100 0.110 0.000 1.565 1518 Y CB -0.343 38.161 38.460 0.073 0.000 1.415 1518 Y HN 0.205 nan 8.280 nan 0.000 0.488 1519 V N 5.600 125.675 119.914 0.268 0.000 2.584 1519 V HA -0.075 4.046 4.120 0.002 0.000 0.303 1519 V C 0.439 176.663 176.094 0.218 0.000 1.035 1519 V CA 0.507 62.934 62.300 0.212 0.000 1.172 1519 V CB -0.003 31.905 31.823 0.142 0.000 0.896 1519 V HN 0.600 nan 8.190 nan 0.000 0.486 1520 M N 4.165 123.915 119.600 0.250 0.000 2.457 1520 M HA 0.475 4.956 4.480 0.002 0.000 0.300 1520 M C -1.004 175.424 176.300 0.213 0.000 1.141 1520 M CA -0.639 54.802 55.300 0.235 0.000 0.901 1520 M CB 2.052 34.833 32.600 0.301 0.000 1.687 1520 M HN 0.695 nan 8.290 nan 0.000 0.449 1521 D N 1.193 121.678 120.400 0.142 0.000 2.457 1521 D HA 0.647 5.288 4.640 0.002 0.000 0.240 1521 D C -1.435 174.896 176.300 0.051 0.000 1.041 1521 D CA -0.326 53.740 54.000 0.109 0.000 0.861 1521 D CB 2.188 43.021 40.800 0.056 0.000 1.394 1521 D HN 0.283 nan 8.370 nan 0.000 0.473 1522 V N 4.094 124.010 119.914 0.003 0.000 2.394 1522 V HA 0.201 4.322 4.120 0.002 0.000 0.282 1522 V C 0.926 176.974 176.094 -0.078 0.000 1.031 1522 V CA -0.632 61.610 62.300 -0.097 0.000 0.881 1522 V CB 1.262 32.880 31.823 -0.342 0.000 0.982 1522 V HN 0.554 nan 8.190 nan 0.000 0.451 1523 L N 3.281 124.459 121.223 -0.074 0.000 2.013 1523 L HA 0.196 4.537 4.340 0.002 0.000 0.204 1523 L C 0.933 177.770 176.870 -0.055 0.000 1.081 1523 L CA 1.444 56.230 54.840 -0.091 0.000 0.751 1523 L CB -0.411 41.548 42.059 -0.167 0.000 0.901 1523 L HN 0.709 nan 8.230 nan 0.000 0.440 1524 E N -1.465 118.727 120.200 -0.013 0.000 2.256 1524 E HA 0.351 4.702 4.350 0.002 0.000 0.268 1524 E C -1.161 175.532 176.600 0.156 0.000 0.877 1524 E CA -0.544 55.888 56.400 0.053 0.000 0.757 1524 E CB 2.586 32.321 29.700 0.059 0.000 1.183 1524 E HN -0.233 nan 8.360 nan 0.000 0.418 1525 V N 5.230 125.238 119.914 0.157 0.000 2.364 1525 V HA -0.023 4.098 4.120 0.002 0.000 0.252 1525 V C 1.106 177.359 176.094 0.265 0.000 1.075 1525 V CA 0.126 62.597 62.300 0.285 0.000 1.033 1525 V CB -0.312 31.639 31.823 0.214 0.000 1.116 1525 V HN 0.743 nan 8.190 nan 0.000 0.488 1526 I N 2.930 123.695 120.570 0.324 0.000 2.928 1526 I HA 0.100 4.271 4.170 0.002 0.000 0.266 1526 I C 1.059 177.260 176.117 0.140 0.000 1.234 1526 I CA 0.962 62.409 61.300 0.245 0.000 1.483 1526 I CB -0.797 37.408 38.000 0.341 0.000 1.097 1526 I HN 0.588 nan 8.210 nan 0.000 0.455 1527 K N 1.332 121.825 120.400 0.155 0.000 2.636 1527 K HA 0.132 4.453 4.320 0.002 0.000 0.286 1527 K C -0.452 176.222 176.600 0.123 0.000 1.100 1527 K CA -0.428 55.906 56.287 0.078 0.000 0.991 1527 K CB 1.143 33.643 32.500 -0.000 0.000 1.323 1527 K HN -0.125 nan 8.250 nan 0.000 0.478 1528 Q N 1.769 121.645 119.800 0.128 0.000 2.369 1528 Q HA 0.237 4.578 4.340 0.002 0.000 0.295 1528 Q C -0.069 176.021 176.000 0.150 0.000 1.075 1528 Q CA 1.379 57.278 55.803 0.160 0.000 0.941 1528 Q CB 0.802 29.606 28.738 0.110 0.000 1.260 1528 Q HN 0.714 nan 8.270 nan 0.000 0.417 1529 G N 0.802 109.722 108.800 0.201 0.000 3.262 1529 G HA2 0.270 4.231 3.960 0.002 0.000 0.229 1529 G HA3 0.270 4.231 3.960 0.002 0.000 0.229 1529 G C 0.040 175.042 174.900 0.169 0.000 1.280 1529 G CA 0.076 45.298 45.100 0.203 0.000 0.951 1529 G HN 0.607 nan 8.290 nan 0.000 0.589 1530 T N 0.350 115.013 114.554 0.183 0.000 2.904 1530 T HA 0.006 4.357 4.350 0.002 0.000 0.267 1530 T C 0.781 175.564 174.700 0.137 0.000 1.059 1530 T CA 0.901 63.085 62.100 0.140 0.000 1.137 1530 T CB -0.152 68.797 68.868 0.135 0.000 0.879 1530 T HN 0.392 nan 8.240 nan 0.000 0.467 1531 D N 1.899 122.406 120.400 0.179 0.000 2.434 1531 D HA -0.007 4.634 4.640 0.002 0.000 0.252 1531 D C 0.994 177.377 176.300 0.137 0.000 1.185 1531 D CA 0.213 54.312 54.000 0.165 0.000 0.886 1531 D CB 0.727 41.667 40.800 0.232 0.000 1.148 1531 D HN 0.368 nan 8.370 nan 0.000 0.483 1532 E N 2.498 122.754 120.200 0.094 0.000 2.276 1532 E HA -0.060 4.291 4.350 0.002 0.000 0.193 1532 E C 0.245 176.882 176.600 0.062 0.000 0.983 1532 E CA 0.176 56.620 56.400 0.073 0.000 0.861 1532 E CB 0.354 30.085 29.700 0.052 0.000 0.817 1532 E HN 0.216 nan 8.360 nan 0.000 0.485 1533 N N 1.006 119.739 118.700 0.054 0.000 2.716 1533 N HA 0.108 4.849 4.740 0.002 0.000 0.253 1533 N C -2.141 173.393 175.510 0.040 0.000 1.170 1533 N CA -1.809 51.263 53.050 0.036 0.000 0.807 1533 N CB 1.296 39.792 38.487 0.015 0.000 1.183 1533 N HN -0.148 nan 8.380 nan 0.000 0.524 1534 P HA 0.097 nan 4.420 nan 0.000 0.241 1534 P C 0.231 177.569 177.300 0.063 0.000 1.191 1534 P CA 0.459 63.608 63.100 0.080 0.000 0.771 1534 P CB 0.648 32.255 31.700 -0.156 0.000 0.929 1535 R N -0.843 119.657 120.500 0.000 0.000 2.543 1535 R HA 0.415 4.756 4.340 0.002 0.000 0.323 1535 R C 1.496 177.788 176.300 -0.013 0.000 1.002 1535 R CA 0.126 56.219 56.100 -0.012 0.000 1.106 1535 R CB 0.444 30.728 30.300 -0.028 0.000 1.280 1535 R HN 0.049 nan 8.270 nan 0.000 0.549 1536 A N 0.397 123.204 122.820 -0.022 0.000 2.085 1536 A HA 0.196 4.517 4.320 0.002 0.000 0.208 1536 A C 0.709 178.263 177.584 -0.050 0.000 1.191 1536 A CA 0.760 52.779 52.037 -0.030 0.000 0.799 1536 A CB 0.479 19.464 19.000 -0.024 0.000 0.877 1536 A HN -0.100 nan 8.150 nan 0.000 0.473 1537 K N 0.033 120.375 120.400 -0.096 0.000 2.316 1537 K HA 0.488 4.809 4.320 0.002 0.000 0.234 1537 K C -0.648 175.861 176.600 -0.153 0.000 1.054 1537 K CA -0.262 55.947 56.287 -0.131 0.000 0.879 1537 K CB 0.851 33.246 32.500 -0.175 0.000 1.252 1537 K HN 0.217 nan 8.250 nan 0.000 0.471 1538 T N -0.604 113.877 114.554 -0.122 0.000 2.744 1538 T HA 0.336 4.687 4.350 0.002 0.000 0.291 1538 T C 0.009 174.666 174.700 -0.072 0.000 0.957 1538 T CA -0.644 61.429 62.100 -0.045 0.000 1.002 1538 T CB 0.247 69.124 68.868 0.015 0.000 0.919 1538 T HN 0.249 nan 8.240 nan 0.000 0.468 1539 H N 3.642 122.773 119.070 0.101 0.000 2.969 1539 H HA 0.161 4.718 4.556 0.002 0.000 0.269 1539 H C 0.348 175.818 175.328 0.236 0.000 1.223 1539 H CA -0.253 55.895 56.048 0.168 0.000 1.400 1539 H CB 0.500 30.396 29.762 0.225 0.000 1.500 1539 H HN 0.654 nan 8.280 nan 0.000 0.486 1540 Q N 3.192 123.130 119.800 0.231 0.000 2.297 1540 Q HA 0.131 4.472 4.340 0.002 0.000 0.267 1540 Q C -0.602 175.540 176.000 0.237 0.000 1.006 1540 Q CA 0.320 56.252 55.803 0.216 0.000 0.896 1540 Q CB 0.815 29.615 28.738 0.102 0.000 1.186 1540 Q HN 0.531 nan 8.270 nan 0.000 0.392 1541 Y N 2.008 122.420 120.300 0.187 0.000 2.457 1541 Y HA 0.532 5.083 4.550 0.002 0.000 0.333 1541 Y C 0.161 176.071 175.900 0.016 0.000 1.119 1541 Y CA -0.728 57.472 58.100 0.166 0.000 1.143 1541 Y CB 1.307 39.888 38.460 0.201 0.000 1.230 1541 Y HN 0.428 nan 8.280 nan 0.000 0.469 1542 I N 1.506 122.140 120.570 0.106 0.000 2.647 1542 I HA 0.517 4.688 4.170 0.002 0.000 0.295 1542 I C -0.543 175.533 176.117 -0.069 0.000 1.078 1542 I CA -0.544 60.729 61.300 -0.044 0.000 1.048 1542 I CB 2.161 40.143 38.000 -0.031 0.000 1.239 1542 I HN 0.493 nan 8.210 nan 0.000 0.421 1543 S N 2.921 118.519 115.700 -0.170 0.000 2.672 1543 S HA 0.494 4.965 4.470 0.002 0.000 0.271 1543 S C -1.840 172.688 174.600 -0.120 0.000 1.171 1543 S CA -0.649 57.477 58.200 -0.123 0.000 0.817 1543 S CB 2.110 65.231 63.200 -0.132 0.000 1.150 1543 S HN 0.670 nan 8.310 nan 0.000 0.478 1544 Q N 0.629 120.387 119.800 -0.070 0.000 2.297 1544 Q HA 0.581 4.922 4.340 0.002 0.000 0.268 1544 Q C 0.541 176.525 176.000 -0.026 0.000 1.045 1544 Q CA -1.067 54.708 55.803 -0.048 0.000 0.861 1544 Q CB 1.290 30.008 28.738 -0.032 0.000 1.344 1544 Q HN 0.563 nan 8.270 nan 0.000 0.452 1545 R N 0.842 121.335 120.500 -0.012 0.000 2.117 1545 R HA -0.202 4.139 4.340 0.002 0.000 0.243 1545 R C 1.855 178.164 176.300 0.016 0.000 1.143 1545 R CA 1.819 57.926 56.100 0.011 0.000 0.968 1545 R CB -0.292 30.017 30.300 0.014 0.000 0.863 1545 R HN 0.686 nan 8.270 nan 0.000 0.444 1546 K N 0.263 120.668 120.400 0.008 0.000 2.163 1546 K HA -0.199 4.122 4.320 0.002 0.000 0.210 1546 K C 0.606 177.214 176.600 0.013 0.000 1.048 1546 K CA 1.564 57.856 56.287 0.010 0.000 0.928 1546 K CB -0.032 32.469 32.500 0.001 0.000 0.716 1546 K HN 0.264 nan 8.250 nan 0.000 0.459 1547 c N 0.936 119.544 118.600 0.013 0.000 2.422 1547 c HA 0.233 4.804 4.570 0.002 0.000 0.301 1547 c C 0.608 174.730 174.090 0.053 0.000 1.444 1547 c CA -0.807 55.536 56.329 0.023 0.000 1.771 1547 c CB -0.038 42.480 42.510 0.012 0.000 2.834 1547 c HN 0.334 nan 8.230 nan 0.000 0.545 1548 Q N 2.564 122.398 119.800 0.056 0.000 2.259 1548 Q HA 0.091 4.432 4.340 0.002 0.000 0.228 1548 Q C 0.686 176.734 176.000 0.080 0.000 0.909 1548 Q CA 0.767 56.625 55.803 0.092 0.000 0.948 1548 Q CB -0.177 28.603 28.738 0.070 0.000 1.041 1548 Q HN 0.931 nan 8.270 nan 0.000 0.445 1549 E N -4.298 115.940 120.200 0.063 0.000 1.872 1549 E HA 0.190 4.541 4.350 0.002 0.000 0.238 1549 E C -0.137 176.473 176.600 0.017 0.000 1.762 1549 E CA -0.145 56.274 56.400 0.032 0.000 1.053 1549 E CB -0.835 28.879 29.700 0.023 0.000 1.469 1549 E HN -0.112 nan 8.360 nan 0.000 0.556 1550 A N -0.672 122.150 122.820 0.002 0.000 4.529 1550 A HA -0.266 4.055 4.320 0.002 0.000 0.259 1550 A C 0.671 178.240 177.584 -0.023 0.000 0.736 1550 A CA 2.204 54.235 52.037 -0.010 0.000 1.138 1550 A CB -1.725 17.271 19.000 -0.006 0.000 1.079 1550 A HN 0.945 nan 8.150 nan 0.000 0.725 1551 L N -0.099 121.115 121.223 -0.015 0.000 2.556 1551 L HA 0.525 4.866 4.340 0.002 0.000 0.243 1551 L C 0.318 177.164 176.870 -0.040 0.000 1.331 1551 L CA -0.236 54.586 54.840 -0.031 0.000 0.927 1551 L CB 0.445 42.508 42.059 0.007 0.000 1.219 1551 L HN 0.255 nan 8.230 nan 0.000 0.490 1552 N N 1.656 120.324 118.700 -0.054 0.000 2.485 1552 N HA 0.053 4.794 4.740 0.002 0.000 0.199 1552 N C -0.138 175.337 175.510 -0.058 0.000 1.236 1552 N CA 0.123 53.149 53.050 -0.039 0.000 0.852 1552 N CB -0.000 38.475 38.487 -0.020 0.000 1.018 1552 N HN 0.354 nan 8.380 nan 0.000 0.457 1553 L N 1.365 122.508 121.223 -0.134 0.000 2.360 1553 L HA 0.173 4.514 4.340 0.002 0.000 0.276 1553 L C 0.475 177.273 176.870 -0.120 0.000 1.121 1553 L CA 0.012 54.767 54.840 -0.141 0.000 0.845 1553 L CB 0.625 42.522 42.059 -0.271 0.000 1.143 1553 L HN -0.138 nan 8.230 nan 0.000 0.452 1554 K N 1.757 122.152 120.400 -0.009 0.000 2.237 1554 K HA 0.306 4.627 4.320 0.002 0.000 0.270 1554 K C -0.420 176.194 176.600 0.023 0.000 1.015 1554 K CA -0.379 55.909 56.287 0.002 0.000 0.949 1554 K CB 0.848 33.359 32.500 0.018 0.000 0.976 1554 K HN 0.287 nan 8.250 nan 0.000 0.472 1555 V N 3.614 123.529 119.914 0.001 0.000 2.715 1555 V HA 0.028 4.149 4.120 0.002 0.000 0.299 1555 V C 0.237 176.340 176.094 0.015 0.000 1.054 1555 V CA -0.206 62.101 62.300 0.012 0.000 1.077 1555 V CB 0.094 31.921 31.823 0.006 0.000 0.972 1555 V HN 0.867 nan 8.190 nan 0.000 0.484 1556 N N 1.618 120.336 118.700 0.030 0.000 2.780 1556 N HA -0.145 4.596 4.740 0.002 0.000 0.248 1556 N C -0.890 174.650 175.510 0.051 0.000 1.102 1556 N CA 0.970 54.041 53.050 0.035 0.000 0.697 1556 N CB -0.921 37.574 38.487 0.014 0.000 1.028 1556 N HN 0.857 nan 8.380 nan 0.000 0.554 1557 D N -0.201 120.179 120.400 -0.032 0.000 2.299 1557 D HA 0.409 5.050 4.640 0.002 0.000 0.243 1557 D C -0.382 175.523 176.300 -0.659 0.000 0.982 1557 D CA -0.347 53.534 54.000 -0.198 0.000 0.924 1557 D CB 0.864 41.542 40.800 -0.204 0.000 1.238 1557 D HN -0.020 nan 8.370 nan 0.000 0.484 1558 D N 0.222 120.165 120.400 -0.762 0.000 2.181 1558 D HA 0.410 5.051 4.640 0.002 0.000 0.248 1558 D C -0.675 175.084 176.300 -0.901 0.000 1.020 1558 D CA -0.137 53.405 54.000 -0.764 0.000 0.891 1558 D CB 0.990 41.422 40.800 -0.614 0.000 1.187 1558 D HN 0.266 nan 8.370 nan 0.000 0.443 1559 Y N -0.278 120.066 120.300 0.074 0.000 2.553 1559 Y HA 0.338 4.889 4.550 0.002 0.000 0.347 1559 Y C -0.389 175.715 175.900 0.339 0.000 1.019 1559 Y CA -1.394 56.805 58.100 0.164 0.000 1.032 1559 Y CB 1.366 39.854 38.460 0.046 0.000 1.284 1559 Y HN 0.110 nan 8.280 nan 0.000 0.466 1560 L N 4.153 125.695 121.223 0.531 0.000 2.312 1560 L HA 0.489 4.830 4.340 0.002 0.000 0.287 1560 L C -1.110 175.965 176.870 0.342 0.000 1.091 1560 L CA 0.013 55.139 54.840 0.476 0.000 0.846 1560 L CB -0.637 41.620 42.059 0.330 0.000 1.219 1560 L HN 0.553 nan 8.230 nan 0.000 0.439 1561 I N 5.472 126.243 120.570 0.335 0.000 2.339 1561 I HA 0.283 4.454 4.170 0.002 0.000 0.290 1561 I C -1.175 175.102 176.117 0.268 0.000 0.994 1561 I CA -0.604 60.835 61.300 0.231 0.000 1.191 1561 I CB 1.065 39.176 38.000 0.185 0.000 1.343 1561 I HN 0.774 nan 8.210 nan 0.000 0.458 1562 W N 7.304 128.658 121.300 0.089 0.000 2.475 1562 W HA 0.832 5.493 4.660 0.002 0.000 0.320 1562 W C -0.431 175.919 176.519 -0.281 0.000 1.022 1562 W CA -1.492 55.744 57.345 -0.182 0.000 1.240 1562 W CB 0.431 29.775 29.460 -0.194 0.000 1.328 1562 W HN 0.423 nan 8.180 nan 0.000 0.439 1563 G N 1.256 109.734 108.800 -0.537 0.000 2.887 1563 G HA2 0.603 4.564 3.960 0.002 0.000 0.277 1563 G HA3 0.603 4.564 3.960 0.002 0.000 0.277 1563 G C -1.248 173.386 174.900 -0.444 0.000 1.346 1563 G CA -1.067 43.796 45.100 -0.394 0.000 1.058 1563 G HN 0.641 nan 8.290 nan 0.000 0.535 1564 S N -1.769 113.893 115.700 -0.065 0.000 2.521 1564 S HA 0.391 4.862 4.470 0.002 0.000 0.295 1564 S C 1.113 175.871 174.600 0.265 0.000 1.098 1564 S CA -0.559 57.672 58.200 0.052 0.000 0.999 1564 S CB 1.917 65.165 63.200 0.080 0.000 1.034 1564 S HN 0.609 nan 8.310 nan 0.000 0.483 1565 R N 2.784 123.436 120.500 0.254 0.000 2.117 1565 R HA -0.084 4.257 4.340 0.002 0.000 0.243 1565 R C 2.063 178.479 176.300 0.193 0.000 1.143 1565 R CA 2.683 58.965 56.100 0.305 0.000 0.968 1565 R CB -0.951 29.468 30.300 0.199 0.000 0.863 1565 R HN 0.723 nan 8.270 nan 0.000 0.444 1566 S N -0.562 115.219 115.700 0.135 0.000 2.537 1566 S HA -0.074 4.397 4.470 0.002 0.000 0.240 1566 S C 0.616 175.260 174.600 0.074 0.000 0.981 1566 S CA 1.119 59.367 58.200 0.080 0.000 0.948 1566 S CB -0.061 63.176 63.200 0.062 0.000 0.759 1566 S HN 0.296 nan 8.310 nan 0.000 0.531 1567 D N 0.847 121.330 120.400 0.139 0.000 2.342 1567 D HA 0.248 4.889 4.640 0.002 0.000 0.221 1567 D C 0.045 176.326 176.300 -0.032 0.000 1.101 1567 D CA -0.151 53.924 54.000 0.126 0.000 0.837 1567 D CB -0.016 40.938 40.800 0.257 0.000 0.938 1567 D HN 0.373 nan 8.370 nan 0.000 0.508 1568 L N 1.405 122.515 121.223 -0.188 0.000 2.410 1568 L HA 0.148 4.489 4.340 0.002 0.000 0.273 1568 L C -0.428 176.282 176.870 -0.266 0.000 1.144 1568 L CA 0.012 54.559 54.840 -0.488 0.000 0.863 1568 L CB 0.368 42.197 42.059 -0.384 0.000 1.140 1568 L HN -0.158 nan 8.230 nan 0.000 0.463 1569 L N 7.394 128.453 121.223 -0.274 0.000 2.325 1569 L HA 0.443 4.784 4.340 0.002 0.000 0.279 1569 L C -1.614 175.179 176.870 -0.128 0.000 1.054 1569 L CA -1.781 52.969 54.840 -0.149 0.000 0.804 1569 L CB 1.130 43.121 42.059 -0.112 0.000 1.200 1569 L HN 0.557 nan 8.230 nan 0.000 0.436 1570 P HA 0.031 nan 4.420 nan 0.000 0.238 1570 P C -0.376 176.891 177.300 -0.054 0.000 1.714 1570 P CA -0.191 62.871 63.100 -0.064 0.000 0.908 1570 P CB -0.539 31.135 31.700 -0.044 0.000 1.893 1571 T N 1.267 115.782 114.554 -0.065 0.000 2.737 1571 T HA 0.105 4.456 4.350 0.002 0.000 0.296 1571 T C 0.402 175.075 174.700 -0.045 0.000 0.922 1571 T CA -0.187 61.883 62.100 -0.049 0.000 1.079 1571 T CB 0.810 69.649 68.868 -0.049 0.000 0.892 1571 T HN 0.106 nan 8.240 nan 0.000 0.514 1572 K N 3.006 123.386 120.400 -0.033 0.000 2.383 1572 K HA 0.045 4.366 4.320 0.002 0.000 0.286 1572 K C -0.203 176.380 176.600 -0.029 0.000 1.051 1572 K CA 0.031 56.300 56.287 -0.029 0.000 0.974 1572 K CB 0.276 32.764 32.500 -0.021 0.000 0.968 1572 K HN 0.614 nan 8.250 nan 0.000 0.475 1573 D N 1.969 122.349 120.400 -0.033 0.000 3.070 1573 D HA -0.151 4.490 4.640 0.002 0.000 0.210 1573 D C -1.072 175.203 176.300 -0.042 0.000 1.103 1573 D CA 1.159 55.139 54.000 -0.034 0.000 0.980 1573 D CB -0.755 40.031 40.800 -0.025 0.000 1.100 1573 D HN 0.618 nan 8.370 nan 0.000 0.423 1574 K N 0.340 120.710 120.400 -0.049 0.000 2.535 1574 K HA 0.405 4.726 4.320 0.002 0.000 0.251 1574 K C -0.414 176.145 176.600 -0.069 0.000 0.942 1574 K CA -0.933 55.321 56.287 -0.056 0.000 0.798 1574 K CB 2.226 34.707 32.500 -0.032 0.000 1.267 1574 K HN -0.157 nan 8.250 nan 0.000 0.434 1575 I N 2.700 123.215 120.570 -0.092 0.000 2.278 1575 I HA 0.083 4.254 4.170 0.002 0.000 0.300 1575 I C -0.073 176.056 176.117 0.020 0.000 1.174 1575 I CA 0.135 61.399 61.300 -0.059 0.000 1.347 1575 I CB -0.850 37.078 38.000 -0.120 0.000 1.473 1575 I HN 0.411 nan 8.210 nan 0.000 0.595 1576 S N 5.734 121.381 115.700 -0.088 0.000 2.489 1576 S HA 0.675 5.146 4.470 0.002 0.000 0.291 1576 S C -0.493 173.947 174.600 -0.267 0.000 1.151 1576 S CA -0.328 57.819 58.200 -0.088 0.000 1.082 1576 S CB 1.552 64.706 63.200 -0.076 0.000 1.019 1576 S HN 0.374 nan 8.310 nan 0.000 0.492 1577 Y N 0.668 120.813 120.300 -0.259 0.000 2.805 1577 Y HA 0.651 5.202 4.550 0.002 0.000 0.321 1577 Y C -0.045 175.759 175.900 -0.160 0.000 1.203 1577 Y CA -1.104 56.830 58.100 -0.276 0.000 1.165 1577 Y CB 1.045 39.156 38.460 -0.582 0.000 1.371 1577 Y HN 0.425 nan 8.280 nan 0.000 0.564 1578 I N 1.801 122.457 120.570 0.143 0.000 2.512 1578 I HA 0.239 4.410 4.170 0.002 0.000 0.287 1578 I C -1.403 174.827 176.117 0.187 0.000 1.069 1578 I CA -0.737 60.635 61.300 0.120 0.000 1.056 1578 I CB 1.672 39.712 38.000 0.065 0.000 1.229 1578 I HN 0.341 nan 8.210 nan 0.000 0.429 1579 I N 6.662 127.348 120.570 0.193 0.000 2.578 1579 I HA 0.059 4.230 4.170 0.002 0.000 0.286 1579 I C 1.027 177.200 176.117 0.094 0.000 1.126 1579 I CA 0.841 62.247 61.300 0.178 0.000 1.380 1579 I CB 0.348 38.434 38.000 0.143 0.000 1.408 1579 I HN 0.661 nan 8.210 nan 0.000 0.532 1580 T N 2.211 116.821 114.554 0.092 0.000 2.551 1580 T HA 0.460 4.811 4.350 0.002 0.000 0.249 1580 T C 0.845 175.568 174.700 0.038 0.000 0.851 1580 T CA -0.730 61.402 62.100 0.053 0.000 1.149 1580 T CB 0.977 69.881 68.868 0.061 0.000 1.456 1580 T HN 0.390 nan 8.240 nan 0.000 0.514 1581 K N 0.532 120.955 120.400 0.038 0.000 2.361 1581 K HA 0.146 4.467 4.320 0.002 0.000 0.196 1581 K C 1.393 178.049 176.600 0.094 0.000 1.039 1581 K CA 0.255 56.566 56.287 0.039 0.000 1.001 1581 K CB -0.083 32.434 32.500 0.028 0.000 0.795 1581 K HN 0.384 nan 8.250 nan 0.000 0.495 1582 N N 0.899 119.664 118.700 0.109 0.000 2.515 1582 N HA -0.044 4.697 4.740 0.002 0.000 0.185 1582 N C 0.062 175.688 175.510 0.193 0.000 1.109 1582 N CA 0.665 53.809 53.050 0.157 0.000 0.903 1582 N CB 0.137 38.698 38.487 0.124 0.000 0.969 1582 N HN -0.008 nan 8.380 nan 0.000 0.450 1583 T N 1.013 115.650 114.554 0.138 0.000 2.767 1583 T HA 0.129 4.480 4.350 0.002 0.000 0.288 1583 T C -0.649 174.055 174.700 0.006 0.000 0.963 1583 T CA -0.598 61.570 62.100 0.113 0.000 1.019 1583 T CB 1.397 70.350 68.868 0.143 0.000 0.923 1583 T HN 0.159 nan 8.240 nan 0.000 0.468 1584 W N 6.031 127.103 121.300 -0.380 0.000 2.417 1584 W HA 0.592 5.253 4.660 0.002 0.000 0.315 1584 W C -1.881 174.343 176.519 -0.491 0.000 1.045 1584 W CA -1.459 55.477 57.345 -0.681 0.000 1.221 1584 W CB 0.504 28.898 29.460 -1.777 0.000 1.309 1584 W HN 0.524 nan 8.180 nan 0.000 0.453 1585 I N 5.064 125.333 120.570 -0.502 0.000 2.439 1585 I HA 0.288 4.459 4.170 0.002 0.000 0.283 1585 I C -0.420 175.500 176.117 -0.328 0.000 1.023 1585 I CA -0.636 60.490 61.300 -0.290 0.000 1.100 1585 I CB 2.071 39.893 38.000 -0.296 0.000 1.238 1585 I HN 0.336 nan 8.210 nan 0.000 0.445 1586 E N 5.472 125.645 120.200 -0.045 0.000 2.256 1586 E HA 0.441 4.792 4.350 0.002 0.000 0.267 1586 E C -0.867 175.855 176.600 0.202 0.000 0.892 1586 E CA -0.989 55.432 56.400 0.035 0.000 0.775 1586 E CB 2.548 32.358 29.700 0.183 0.000 1.207 1586 E HN 0.482 nan 8.360 nan 0.000 0.420 1587 R N 3.036 123.632 120.500 0.160 0.000 2.340 1587 R HA 0.122 4.463 4.340 0.002 0.000 0.300 1587 R C -1.158 175.109 176.300 -0.054 0.000 1.069 1587 R CA -0.408 55.798 56.100 0.177 0.000 0.984 1587 R CB 0.606 30.994 30.300 0.147 0.000 1.003 1587 R HN 0.442 nan 8.270 nan 0.000 0.459 1588 W N 8.116 129.191 121.300 -0.375 0.000 2.278 1588 W HA 0.350 5.011 4.660 0.002 0.000 0.317 1588 W C -2.451 173.717 176.519 -0.585 0.000 1.030 1588 W CA -3.185 53.756 57.345 -0.672 0.000 1.334 1588 W CB 0.996 30.130 29.460 -0.542 0.000 1.215 1588 W HN 0.525 nan 8.180 nan 0.000 0.405 1589 P HA -0.200 nan 4.420 nan 0.000 0.259 1589 P C 1.247 178.430 177.300 -0.194 0.000 1.155 1589 P CA 1.123 64.028 63.100 -0.325 0.000 0.759 1589 P CB 0.244 31.714 31.700 -0.384 0.000 0.753 1590 H N 3.940 122.843 119.070 -0.279 0.000 2.390 1590 H HA -0.220 4.337 4.556 0.002 0.000 0.298 1590 H C 1.304 176.500 175.328 -0.221 0.000 1.106 1590 H CA 2.336 58.230 56.048 -0.257 0.000 1.297 1590 H CB 0.571 30.210 29.762 -0.205 0.000 1.375 1590 H HN 0.586 nan 8.280 nan 0.000 0.509 1591 E N -1.385 118.791 120.200 -0.040 0.000 1.661 1591 E HA -0.124 4.227 4.350 0.002 0.000 0.199 1591 E C 1.020 177.630 176.600 0.017 0.000 0.682 1591 E CA 0.636 57.016 56.400 -0.035 0.000 1.423 1591 E CB -1.096 28.564 29.700 -0.066 0.000 4.530 1591 E HN 0.302 nan 8.360 nan 0.000 0.611 1592 D N 1.532 121.954 120.400 0.037 0.000 2.117 1592 D HA -0.076 4.565 4.640 0.002 0.000 0.198 1592 D C 1.430 177.761 176.300 0.052 0.000 0.982 1592 D CA 1.491 55.511 54.000 0.032 0.000 0.828 1592 D CB -0.092 40.716 40.800 0.013 0.000 0.967 1592 D HN 0.442 nan 8.370 nan 0.000 0.464 1593 E N 0.051 120.279 120.200 0.047 0.000 2.267 1593 E HA -0.147 4.204 4.350 0.002 0.000 0.197 1593 E C 1.954 178.677 176.600 0.204 0.000 0.998 1593 E CA 0.522 56.999 56.400 0.129 0.000 0.830 1593 E CB -0.147 29.535 29.700 -0.031 0.000 0.751 1593 E HN 0.289 nan 8.360 nan 0.000 0.491 1594 c N 1.335 120.009 118.600 0.122 0.000 2.472 1594 c HA 0.002 4.573 4.570 0.002 0.000 0.278 1594 c C 2.146 176.309 174.090 0.121 0.000 1.447 1594 c CA -0.007 56.407 56.329 0.142 0.000 1.773 1594 c CB -0.500 42.070 42.510 0.099 0.000 1.793 1594 c HN 0.401 nan 8.230 nan 0.000 0.544 1595 Q N 1.246 121.105 119.800 0.099 0.000 2.331 1595 Q HA 0.078 4.419 4.340 0.002 0.000 0.203 1595 Q C 0.562 176.606 176.000 0.074 0.000 0.944 1595 Q CA 0.669 56.516 55.803 0.073 0.000 0.892 1595 Q CB -0.143 28.627 28.738 0.054 0.000 0.983 1595 Q HN 0.730 nan 8.270 nan 0.000 0.482 1596 E N 1.195 121.454 120.200 0.098 0.000 2.313 1596 E HA 0.017 4.368 4.350 0.002 0.000 0.276 1596 E C 0.436 177.071 176.600 0.058 0.000 1.031 1596 E CA -0.173 56.271 56.400 0.072 0.000 0.857 1596 E CB 0.810 30.558 29.700 0.081 0.000 1.040 1596 E HN 0.159 nan 8.360 nan 0.000 0.408 1597 E N 2.469 122.682 120.200 0.022 0.000 2.273 1597 E HA -0.271 4.080 4.350 0.002 0.000 0.198 1597 E C 1.432 178.019 176.600 -0.022 0.000 1.002 1597 E CA 0.931 57.337 56.400 0.009 0.000 0.828 1597 E CB 0.224 29.921 29.700 -0.004 0.000 0.747 1597 E HN 0.443 nan 8.360 nan 0.000 0.491 1598 E N -0.858 119.293 120.200 -0.082 0.000 2.435 1598 E HA -0.079 4.272 4.350 0.002 0.000 0.195 1598 E C 0.198 176.575 176.600 -0.373 0.000 1.029 1598 E CA 0.493 56.742 56.400 -0.252 0.000 0.865 1598 E CB 0.243 29.724 29.700 -0.366 0.000 0.833 1598 E HN 0.339 nan 8.360 nan 0.000 0.510 1599 F N -0.374 119.606 119.950 0.051 0.000 2.837 1599 F HA 0.216 4.744 4.527 0.002 0.000 0.328 1599 F C 1.828 177.665 175.800 0.061 0.000 1.173 1599 F CA -0.410 57.626 58.000 0.061 0.000 1.160 1599 F CB 0.775 39.808 39.000 0.055 0.000 1.115 1599 F HN -0.073 nan 8.300 nan 0.000 0.512 1600 Q N 0.504 120.423 119.800 0.198 0.000 2.204 1600 Q HA -0.017 4.324 4.340 0.002 0.000 0.198 1600 Q C 1.759 177.840 176.000 0.134 0.000 0.946 1600 Q CA 0.963 56.853 55.803 0.146 0.000 0.859 1600 Q CB 0.366 29.161 28.738 0.095 0.000 0.946 1600 Q HN 0.344 nan 8.270 nan 0.000 0.474 1601 K N -0.014 120.461 120.400 0.124 0.000 2.305 1601 K HA -0.049 4.272 4.320 0.002 0.000 0.199 1601 K C 1.894 178.579 176.600 0.141 0.000 1.047 1601 K CA 0.143 56.495 56.287 0.109 0.000 0.976 1601 K CB 0.182 32.728 32.500 0.078 0.000 0.765 1601 K HN 0.091 nan 8.250 nan 0.000 0.474 1602 L N 1.033 122.373 121.223 0.195 0.000 2.005 1602 L HA -0.169 4.172 4.340 0.002 0.000 0.207 1602 L C 2.009 179.060 176.870 0.301 0.000 1.072 1602 L CA 1.730 56.719 54.840 0.248 0.000 0.744 1602 L CB -0.666 41.582 42.059 0.315 0.000 0.895 1602 L HN 0.151 nan 8.230 nan 0.000 0.433 1603 c N -0.036 118.705 118.600 0.234 0.000 2.403 1603 c HA -0.161 4.410 4.570 0.002 0.000 0.282 1603 c C 2.231 176.484 174.090 0.271 0.000 1.297 1603 c CA 1.116 57.583 56.329 0.229 0.000 1.785 1603 c CB -1.198 41.419 42.510 0.179 0.000 1.963 1603 c HN 0.597 nan 8.230 nan 0.000 0.507 1604 D N 0.154 120.674 120.400 0.201 0.000 2.277 1604 D HA -0.045 4.596 4.640 0.002 0.000 0.208 1604 D C 1.675 178.058 176.300 0.139 0.000 0.962 1604 D CA 0.874 54.967 54.000 0.156 0.000 0.865 1604 D CB -0.347 40.516 40.800 0.105 0.000 0.939 1604 D HN 0.416 nan 8.370 nan 0.000 0.510 1605 D N -0.756 119.718 120.400 0.123 0.000 2.178 1605 D HA -0.083 4.558 4.640 0.002 0.000 0.202 1605 D C 1.606 177.875 176.300 -0.052 0.000 0.974 1605 D CA 0.593 54.601 54.000 0.013 0.000 0.841 1605 D CB -0.148 40.607 40.800 -0.075 0.000 0.953 1605 D HN 0.247 nan 8.370 nan 0.000 0.478 1606 F N 1.033 120.927 119.950 -0.094 0.000 2.128 1606 F HA 0.026 4.554 4.527 0.002 0.000 0.295 1606 F C 2.477 178.344 175.800 0.111 0.000 1.100 1606 F CA 0.830 58.710 58.000 -0.200 0.000 1.260 1606 F CB -0.398 38.198 39.000 -0.674 0.000 1.009 1606 F HN -0.105 nan 8.300 nan 0.000 0.476 1607 A N -0.523 122.518 122.820 0.368 0.000 2.076 1607 A HA -0.265 4.056 4.320 0.002 0.000 0.220 1607 A C 2.066 179.796 177.584 0.244 0.000 1.160 1607 A CA 1.939 54.165 52.037 0.313 0.000 0.653 1607 A CB -0.791 18.340 19.000 0.220 0.000 0.801 1607 A HN 0.524 nan 8.150 nan 0.000 0.455 1608 Q N -2.243 117.679 119.800 0.203 0.000 2.250 1608 Q HA 0.019 4.360 4.340 0.002 0.000 0.200 1608 Q C 1.703 177.830 176.000 0.211 0.000 0.941 1608 Q CA 0.946 56.861 55.803 0.187 0.000 0.872 1608 Q CB -0.213 28.592 28.738 0.111 0.000 0.965 1608 Q HN 0.606 nan 8.270 nan 0.000 0.480 1609 F N 0.345 120.302 119.950 0.012 0.000 2.098 1609 F HA -0.025 4.503 4.527 0.002 0.000 0.294 1609 F C 2.267 178.097 175.800 0.050 0.000 1.107 1609 F CA 1.538 59.506 58.000 -0.053 0.000 1.234 1609 F CB -0.441 38.407 39.000 -0.253 0.000 1.002 1609 F HN 0.080 nan 8.300 nan 0.000 0.472 1610 S N -1.319 114.594 115.700 0.356 0.000 2.584 1610 S HA -0.184 4.287 4.470 0.002 0.000 0.240 1610 S C 1.357 176.117 174.600 0.265 0.000 0.975 1610 S CA 0.989 59.404 58.200 0.359 0.000 0.949 1610 S CB -0.740 62.843 63.200 0.639 0.000 0.761 1610 S HN 0.640 nan 8.310 nan 0.000 0.536 1611 Y N 0.749 121.102 120.300 0.088 0.000 2.439 1611 Y HA 0.190 4.741 4.550 0.002 0.000 0.281 1611 Y C 2.391 178.315 175.900 0.041 0.000 1.145 1611 Y CA 1.314 59.461 58.100 0.078 0.000 1.252 1611 Y CB -0.522 37.999 38.460 0.101 0.000 1.271 1611 Y HN 0.150 nan 8.280 nan 0.000 0.516 1612 T N 1.781 116.349 114.554 0.022 0.000 2.802 1612 T HA -0.217 4.134 4.350 0.002 0.000 0.269 1612 T C 1.735 176.327 174.700 -0.180 0.000 1.062 1612 T CA 2.005 64.044 62.100 -0.101 0.000 1.133 1612 T CB -0.454 68.350 68.868 -0.107 0.000 0.852 1612 T HN 0.308 nan 8.240 nan 0.000 0.485 1613 L N 0.660 121.718 121.223 -0.276 0.000 2.529 1613 L HA 0.068 4.409 4.340 0.002 0.000 0.223 1613 L C 2.380 179.143 176.870 -0.178 0.000 1.113 1613 L CA 0.829 55.489 54.840 -0.300 0.000 0.861 1613 L CB 0.050 41.775 42.059 -0.557 0.000 1.012 1613 L HN 0.399 nan 8.230 nan 0.000 0.461 1614 T N -5.517 108.945 114.554 -0.152 0.000 2.990 1614 T HA 0.004 4.355 4.350 0.002 0.000 0.249 1614 T C 1.464 176.070 174.700 -0.156 0.000 1.039 1614 T CA 0.214 62.252 62.100 -0.102 0.000 1.036 1614 T CB 0.434 69.287 68.868 -0.024 0.000 0.994 1614 T HN 0.021 nan 8.240 nan 0.000 0.489 1615 E N 0.606 120.642 120.200 -0.274 0.000 2.127 1615 E HA 0.256 4.607 4.350 0.002 0.000 0.191 1615 E C 1.129 177.534 176.600 -0.325 0.000 0.964 1615 E CA 0.627 56.813 56.400 -0.357 0.000 0.832 1615 E CB -0.293 29.009 29.700 -0.665 0.000 0.790 1615 E HN 0.493 nan 8.360 nan 0.000 0.465 1616 F N -0.019 119.778 119.950 -0.256 0.000 2.582 1616 F HA 0.383 4.911 4.527 0.002 0.000 0.290 1616 F C 1.465 177.175 175.800 -0.149 0.000 1.115 1616 F CA 0.828 58.723 58.000 -0.174 0.000 1.445 1616 F CB 0.264 39.166 39.000 -0.162 0.000 1.126 1616 F HN 0.227 nan 8.300 nan 0.000 0.574 1617 G N 0.038 108.838 108.800 0.000 0.000 2.698 1617 G HA2 -0.274 3.687 3.960 0.002 0.000 0.233 1617 G HA3 -0.274 3.687 3.960 0.002 0.000 0.233 1617 G C -0.230 174.632 174.900 -0.064 0.000 1.352 1617 G CA -0.927 44.141 45.100 -0.053 0.000 0.879 1617 G HN 0.297 nan 8.290 nan 0.000 0.567 1618 c N 1.092 119.640 118.600 -0.086 0.000 2.727 1618 c HA 0.380 4.951 4.570 0.002 0.000 0.401 1618 c C 0.344 174.389 174.090 -0.074 0.000 1.294 1618 c CA 0.441 56.706 56.329 -0.105 0.000 2.134 1618 c CB 0.520 42.965 42.510 -0.110 0.000 2.724 1618 c HN 0.720 nan 8.230 nan 0.000 0.677 1619 P HA 0.046 nan 4.420 nan 0.000 0.221 1619 P C 0.453 177.721 177.300 -0.054 0.000 1.155 1619 P CA 1.097 64.154 63.100 -0.071 0.000 0.812 1619 P CB 0.022 31.667 31.700 -0.091 0.000 0.801 1620 T N 0.000 114.518 114.554 -0.061 0.000 3.816 1620 T HA 0.000 4.351 4.350 0.002 0.000 0.228 1620 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 1620 T CB 0.000 68.836 68.868 -0.054 0.000 0.612 1620 T HN 0.000 nan 8.240 nan 0.000 0.658