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 3i5q_1_B DATA FIRST_RESID 1255 DATA SEQUENCE IVQLASRIQD ACEVAGIQGD ILSLVYTDAR IDSAIKDELI KTLDGKILST DATA SEQUENCE SELFNDFAVP LSYHEIALFI FKIADFRDHE VIMAKWDELF QSLRMEFNNT DATA SEQUENCE GKKEDSMNFI NLLSNVLIKI GKNVQDSEFI FPIFELFPIV CNFFYETLPK DATA SEQUENCE EHIVSGSIVS IFITAGVSFN KMYYILKELI ETSDSDNSVF NKEMTWLIHE DATA SEQUENCE WYKSDRKFRD IISYNDIIHL KEYKIDNDPI EKYVKNSGNN LGICFYKE 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 1255 I HA 0.000 nan 4.170 nan 0.000 0.288 1255 I C 0.000 176.140 176.117 0.038 0.000 1.063 1255 I CA 0.000 61.336 61.300 0.059 0.000 1.566 1255 I CB 0.000 38.056 38.000 0.093 0.000 1.214 1256 V N 4.044 123.971 119.914 0.022 0.000 2.435 1256 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 1256 V C -0.367 175.631 176.094 -0.160 0.000 1.030 1256 V CA -0.609 61.619 62.300 -0.121 0.000 0.881 1256 V CB 1.396 33.027 31.823 -0.321 0.000 0.983 1256 V HN 0.758 nan 8.190 nan 0.000 0.445 1257 Q N 5.294 125.011 119.800 -0.139 0.000 2.372 1257 Q HA 0.594 4.934 4.340 -0.000 0.000 0.259 1257 Q C -1.621 174.311 176.000 -0.112 0.000 0.993 1257 Q CA -0.810 54.940 55.803 -0.089 0.000 0.854 1257 Q CB 1.941 30.666 28.738 -0.022 0.000 1.231 1257 Q HN 0.382 nan 8.270 nan 0.000 0.462 1258 L N 1.797 122.946 121.223 -0.123 0.000 2.331 1258 L HA 0.681 5.021 4.340 -0.000 0.000 0.275 1258 L C 0.277 177.146 176.870 -0.001 0.000 1.022 1258 L CA -0.716 54.077 54.840 -0.077 0.000 0.812 1258 L CB 1.273 43.261 42.059 -0.118 0.000 1.257 1258 L HN 0.832 nan 8.230 nan 0.000 0.435 1259 A N 2.057 124.899 122.820 0.036 0.000 2.371 1259 A HA 0.582 4.902 4.320 -0.000 0.000 0.257 1259 A C 0.186 177.785 177.584 0.025 0.000 1.089 1259 A CA -0.052 52.003 52.037 0.030 0.000 0.794 1259 A CB 0.299 19.319 19.000 0.034 0.000 1.029 1259 A HN 0.710 nan 8.150 nan 0.000 0.488 1260 S N 0.589 116.300 115.700 0.017 0.000 2.526 1260 S HA 0.655 5.125 4.470 -0.000 0.000 0.293 1260 S C -0.420 174.186 174.600 0.011 0.000 1.092 1260 S CA -0.665 57.543 58.200 0.013 0.000 0.980 1260 S CB 1.460 64.667 63.200 0.011 0.000 1.048 1260 S HN 0.694 nan 8.310 nan 0.000 0.483 1261 R N 1.487 121.991 120.500 0.008 0.000 2.621 1261 R HA 0.490 4.830 4.340 -0.000 0.000 0.292 1261 R C 0.727 177.028 176.300 0.002 0.000 0.969 1261 R CA -0.708 55.395 56.100 0.006 0.000 0.887 1261 R CB 1.232 31.536 30.300 0.008 0.000 1.180 1261 R HN 0.572 nan 8.270 nan 0.000 0.450 1262 I N 1.801 122.372 120.570 0.002 0.000 2.264 1262 I HA -0.360 3.810 4.170 -0.000 0.000 0.248 1262 I C 2.431 178.546 176.117 -0.003 0.000 1.111 1262 I CA 1.605 62.904 61.300 -0.001 0.000 1.382 1262 I CB -0.250 37.750 38.000 0.000 0.000 1.060 1262 I HN 0.679 nan 8.210 nan 0.000 0.418 1263 Q N 0.378 120.178 119.800 -0.000 0.000 2.437 1263 Q HA -0.165 4.175 4.340 -0.000 0.000 0.210 1263 Q C 0.538 176.536 176.000 -0.003 0.000 0.972 1263 Q CA 1.202 57.005 55.803 -0.000 0.000 0.903 1263 Q CB -0.126 28.614 28.738 0.003 0.000 0.967 1263 Q HN 0.442 nan 8.270 nan 0.000 0.486 1264 D N 0.494 120.890 120.400 -0.006 0.000 2.340 1264 D HA 0.195 4.835 4.640 -0.000 0.000 0.217 1264 D C 1.316 177.601 176.300 -0.026 0.000 1.081 1264 D CA 0.542 54.535 54.000 -0.013 0.000 0.842 1264 D CB 0.488 41.281 40.800 -0.011 0.000 0.934 1264 D HN 0.394 nan 8.370 nan 0.000 0.511 1265 A N 0.699 123.506 122.820 -0.022 0.000 1.948 1265 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 1265 A C 2.458 180.019 177.584 -0.037 0.000 1.177 1265 A CA 1.748 53.768 52.037 -0.028 0.000 0.636 1265 A CB -0.932 18.056 19.000 -0.020 0.000 0.815 1265 A HN 0.532 nan 8.150 nan 0.000 0.449 1266 C N -1.015 118.266 119.300 -0.031 0.000 2.466 1266 C HA 0.038 4.498 4.460 -0.000 0.000 0.278 1266 C C 2.241 177.203 174.990 -0.047 0.000 1.288 1266 C CA 0.990 59.988 59.018 -0.033 0.000 1.722 1266 C CB -1.372 26.355 27.740 -0.021 0.000 2.017 1266 C HN 0.642 nan 8.230 nan 0.000 0.488 1267 E N 1.216 121.386 120.200 -0.051 0.000 2.106 1267 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 1267 E C 2.340 178.854 176.600 -0.142 0.000 0.984 1267 E CA 1.420 57.771 56.400 -0.081 0.000 0.806 1267 E CB -0.138 29.523 29.700 -0.065 0.000 0.750 1267 E HN 0.597 nan 8.360 nan 0.000 0.458 1268 V N 1.372 121.216 119.914 -0.117 0.000 2.343 1268 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 1268 V C 2.334 178.351 176.094 -0.128 0.000 1.051 1268 V CA 1.753 63.974 62.300 -0.132 0.000 1.036 1268 V CB -0.750 31.022 31.823 -0.085 0.000 0.654 1268 V HN 0.342 nan 8.190 nan 0.000 0.451 1269 A N 0.650 123.413 122.820 -0.094 0.000 1.917 1269 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 1269 A C 2.429 179.956 177.584 -0.094 0.000 1.182 1269 A CA 2.160 54.146 52.037 -0.085 0.000 0.633 1269 A CB -1.288 17.676 19.000 -0.060 0.000 0.819 1269 A HN 0.546 nan 8.150 nan 0.000 0.448 1270 G N -0.022 108.721 108.800 -0.095 0.000 2.440 1270 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 1270 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 1270 G C 1.500 176.339 174.900 -0.102 0.000 1.154 1270 G CA 1.167 46.221 45.100 -0.078 0.000 0.767 1270 G HN 0.521 nan 8.290 nan 0.000 0.552 1271 I N 0.247 120.700 120.570 -0.194 0.000 2.315 1271 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 1271 I C 2.922 178.943 176.117 -0.160 0.000 1.117 1271 I CA 0.891 62.061 61.300 -0.216 0.000 1.404 1271 I CB -0.321 37.468 38.000 -0.351 0.000 1.071 1271 I HN 0.259 nan 8.210 nan 0.000 0.419 1272 Q N 0.771 120.472 119.800 -0.166 0.000 2.167 1272 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 1272 Q C 2.385 178.292 176.000 -0.154 0.000 0.970 1272 Q CA 1.490 57.179 55.803 -0.190 0.000 0.855 1272 Q CB -0.343 28.289 28.738 -0.178 0.000 0.911 1272 Q HN 0.635 nan 8.270 nan 0.000 0.438 1273 G N 1.317 110.049 108.800 -0.113 0.000 2.402 1273 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 1273 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 1273 G C 0.957 175.804 174.900 -0.088 0.000 1.162 1273 G CA 0.876 45.922 45.100 -0.091 0.000 0.777 1273 G HN 0.224 nan 8.290 nan 0.000 0.539 1274 D N 0.697 121.050 120.400 -0.078 0.000 2.117 1274 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 1274 D C 2.553 178.781 176.300 -0.119 0.000 0.982 1274 D CA 0.463 54.418 54.000 -0.074 0.000 0.828 1274 D CB -0.143 40.650 40.800 -0.013 0.000 0.967 1274 D HN 0.360 nan 8.370 nan 0.000 0.464 1275 I N 0.840 121.335 120.570 -0.125 0.000 2.226 1275 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 1275 I C 2.571 178.633 176.117 -0.092 0.000 1.100 1275 I CA 0.518 61.748 61.300 -0.118 0.000 1.374 1275 I CB -0.158 37.737 38.000 -0.175 0.000 1.057 1275 I HN -0.011 nan 8.210 nan 0.000 0.413 1276 L N -0.038 121.122 121.223 -0.104 0.000 2.042 1276 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 1276 L C 2.710 179.575 176.870 -0.008 0.000 1.076 1276 L CA 1.922 56.732 54.840 -0.051 0.000 0.749 1276 L CB -0.255 41.764 42.059 -0.067 0.000 0.893 1276 L HN 0.235 nan 8.230 nan 0.000 0.432 1277 S N -0.444 115.223 115.700 -0.055 0.000 2.368 1277 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 1277 S C 1.961 176.546 174.600 -0.024 0.000 1.030 1277 S CA 1.403 59.578 58.200 -0.043 0.000 0.999 1277 S CB -0.361 62.788 63.200 -0.084 0.000 0.844 1277 S HN 0.481 nan 8.310 nan 0.000 0.459 1278 L N 0.929 122.068 121.223 -0.140 0.000 2.017 1278 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 1278 L C 2.541 179.389 176.870 -0.036 0.000 1.073 1278 L CA 1.153 55.840 54.840 -0.254 0.000 0.745 1278 L CB -0.725 40.842 42.059 -0.821 0.000 0.894 1278 L HN 0.224 nan 8.230 nan 0.000 0.432 1279 V N -0.848 119.114 119.914 0.079 0.000 2.392 1279 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 1279 V C 2.241 178.408 176.094 0.122 0.000 1.059 1279 V CA 1.935 64.336 62.300 0.170 0.000 1.051 1279 V CB -0.678 31.248 31.823 0.173 0.000 0.658 1279 V HN 0.413 nan 8.190 nan 0.000 0.455 1280 Y N 1.540 121.841 120.300 0.002 0.000 2.165 1280 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 1280 Y C 2.472 178.369 175.900 -0.005 0.000 1.155 1280 Y CA 2.300 60.397 58.100 -0.006 0.000 1.164 1280 Y CB -0.316 38.130 38.460 -0.023 0.000 0.978 1280 Y HN 0.250 nan 8.280 nan 0.000 0.513 1281 T N -0.128 114.457 114.554 0.051 0.000 3.107 1281 T HA -0.028 4.322 4.350 -0.000 0.000 0.249 1281 T C 0.063 174.743 174.700 -0.033 0.000 1.096 1281 T CA 0.312 62.398 62.100 -0.024 0.000 1.012 1281 T CB -0.271 68.625 68.868 0.046 0.000 0.977 1281 T HN 0.197 nan 8.240 nan 0.000 0.527 1282 D N 1.915 122.316 120.400 0.001 0.000 2.342 1282 D HA 0.255 4.894 4.640 -0.000 0.000 0.260 1282 D C 1.090 177.387 176.300 -0.006 0.000 1.278 1282 D CA -0.237 53.785 54.000 0.037 0.000 0.910 1282 D CB 0.916 41.791 40.800 0.124 0.000 1.079 1282 D HN 0.200 nan 8.370 nan 0.000 0.496 1283 A N 4.885 127.697 122.820 -0.012 0.000 2.172 1283 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 1283 A C 1.899 179.471 177.584 -0.020 0.000 1.154 1283 A CA 0.666 52.687 52.037 -0.026 0.000 0.701 1283 A CB -0.045 18.942 19.000 -0.022 0.000 0.789 1283 A HN 0.600 nan 8.150 nan 0.000 0.465 1284 R N -0.628 119.867 120.500 -0.008 0.000 2.299 1284 R HA 0.262 4.602 4.340 -0.000 0.000 0.197 1284 R C -0.198 176.089 176.300 -0.020 0.000 0.971 1284 R CA 0.258 56.349 56.100 -0.015 0.000 1.030 1284 R CB -0.037 30.253 30.300 -0.017 0.000 0.932 1284 R HN 0.449 nan 8.270 nan 0.000 0.477 1285 I N 0.594 121.154 120.570 -0.016 0.000 2.525 1285 I HA 0.142 4.312 4.170 -0.000 0.000 0.301 1285 I C -0.272 175.830 176.117 -0.025 0.000 0.992 1285 I CA -1.112 60.178 61.300 -0.016 0.000 1.162 1285 I CB 1.546 39.549 38.000 0.005 0.000 1.332 1285 I HN -0.176 nan 8.210 nan 0.000 0.458 1286 D N 2.655 123.042 120.400 -0.022 0.000 2.308 1286 D HA 0.048 4.688 4.640 -0.000 0.000 0.251 1286 D C 1.134 177.419 176.300 -0.024 0.000 1.127 1286 D CA 0.311 54.296 54.000 -0.025 0.000 0.876 1286 D CB 1.534 42.322 40.800 -0.021 0.000 1.176 1286 D HN 0.517 nan 8.370 nan 0.000 0.446 1287 S N 2.881 118.561 115.700 -0.033 0.000 2.392 1287 S HA -0.285 4.185 4.470 -0.000 0.000 0.232 1287 S C 1.829 176.420 174.600 -0.015 0.000 1.041 1287 S CA 1.909 60.087 58.200 -0.035 0.000 1.026 1287 S CB -0.127 63.050 63.200 -0.038 0.000 0.845 1287 S HN 0.574 nan 8.310 nan 0.000 0.465 1288 A N 1.574 124.387 122.820 -0.010 0.000 1.897 1288 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 1288 A C 2.103 179.691 177.584 0.006 0.000 1.181 1288 A CA 1.332 53.368 52.037 -0.002 0.000 0.620 1288 A CB -0.588 18.409 19.000 -0.004 0.000 0.821 1288 A HN 0.570 nan 8.150 nan 0.000 0.443 1289 I N 0.343 120.914 120.570 0.003 0.000 2.226 1289 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 1289 I C 2.205 178.341 176.117 0.031 0.000 1.100 1289 I CA 1.552 62.859 61.300 0.012 0.000 1.374 1289 I CB -1.302 36.700 38.000 0.003 0.000 1.057 1289 I HN 0.383 nan 8.210 nan 0.000 0.413 1290 K N 0.439 120.855 120.400 0.026 0.000 2.020 1290 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 1290 K C 1.908 178.542 176.600 0.056 0.000 1.050 1290 K CA 1.878 58.191 56.287 0.043 0.000 0.929 1290 K CB -0.363 32.144 32.500 0.012 0.000 0.714 1290 K HN 0.227 nan 8.250 nan 0.000 0.443 1291 D N 1.011 121.436 120.400 0.041 0.000 2.126 1291 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 1291 D C 1.898 178.224 176.300 0.044 0.000 1.001 1291 D CA 1.405 55.431 54.000 0.043 0.000 0.841 1291 D CB 0.073 40.890 40.800 0.029 0.000 0.949 1291 D HN 0.100 nan 8.370 nan 0.000 0.446 1292 E N -0.260 119.965 120.200 0.041 0.000 2.051 1292 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 1292 E C 2.298 178.938 176.600 0.067 0.000 0.991 1292 E CA 0.376 56.803 56.400 0.044 0.000 0.799 1292 E CB -0.421 29.301 29.700 0.036 0.000 0.748 1292 E HN 0.282 nan 8.360 nan 0.000 0.449 1293 L N 0.774 122.051 121.223 0.090 0.000 2.046 1293 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 1293 L C 2.435 179.353 176.870 0.079 0.000 1.077 1293 L CA 1.227 56.149 54.840 0.137 0.000 0.747 1293 L CB -0.954 41.218 42.059 0.189 0.000 0.896 1293 L HN 0.132 nan 8.230 nan 0.000 0.432 1294 I N -0.709 119.898 120.570 0.063 0.000 2.163 1294 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 1294 I C 2.438 178.567 176.117 0.020 0.000 1.085 1294 I CA 1.067 62.389 61.300 0.037 0.000 1.347 1294 I CB -0.358 37.675 38.000 0.055 0.000 1.044 1294 I HN 0.241 nan 8.210 nan 0.000 0.408 1295 K N 0.363 120.781 120.400 0.029 0.000 2.020 1295 K HA -0.173 4.147 4.320 -0.000 0.000 0.212 1295 K C 2.087 178.698 176.600 0.018 0.000 1.050 1295 K CA 2.042 58.342 56.287 0.021 0.000 0.929 1295 K CB -1.233 31.281 32.500 0.024 0.000 0.714 1295 K HN 0.329 nan 8.250 nan 0.000 0.443 1296 T N 2.617 117.192 114.554 0.036 0.000 2.652 1296 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 1296 T C 2.130 176.833 174.700 0.004 0.000 1.039 1296 T CA 1.257 63.382 62.100 0.042 0.000 1.153 1296 T CB -0.300 68.630 68.868 0.103 0.000 0.863 1296 T HN 0.107 nan 8.240 nan 0.000 0.428 1297 L N 0.615 121.822 121.223 -0.026 0.000 2.201 1297 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 1297 L C 2.125 178.954 176.870 -0.070 0.000 1.105 1297 L CA 1.007 55.790 54.840 -0.094 0.000 0.775 1297 L CB -0.312 41.656 42.059 -0.151 0.000 0.913 1297 L HN 0.161 nan 8.230 nan 0.000 0.440 1298 D N -0.882 119.493 120.400 -0.041 0.000 2.346 1298 D HA 0.013 4.653 4.640 -0.000 0.000 0.206 1298 D C 1.973 178.257 176.300 -0.026 0.000 1.001 1298 D CA 0.896 54.874 54.000 -0.037 0.000 0.871 1298 D CB 0.421 41.203 40.800 -0.030 0.000 0.943 1298 D HN 0.263 nan 8.370 nan 0.000 0.518 1299 G N 0.717 109.507 108.800 -0.017 0.000 2.441 1299 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.212 1299 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.212 1299 G C 0.791 175.685 174.900 -0.010 0.000 1.164 1299 G CA 0.416 45.510 45.100 -0.009 0.000 0.811 1299 G HN 0.339 nan 8.290 nan 0.000 0.535 1300 K N -1.366 119.028 120.400 -0.010 0.000 2.283 1300 K HA 0.658 4.978 4.320 -0.000 0.000 0.257 1300 K C -1.452 175.139 176.600 -0.016 0.000 1.066 1300 K CA -1.000 55.282 56.287 -0.008 0.000 0.891 1300 K CB 1.385 33.887 32.500 0.003 0.000 1.438 1300 K HN -0.166 nan 8.250 nan 0.000 0.464 1301 I N 2.780 123.343 120.570 -0.011 0.000 2.328 1301 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 1301 I C -0.180 175.936 176.117 -0.002 0.000 1.012 1301 I CA -0.670 60.620 61.300 -0.017 0.000 1.195 1301 I CB 0.546 38.535 38.000 -0.018 0.000 1.350 1301 I HN 0.573 nan 8.210 nan 0.000 0.464 1302 L N 4.489 125.713 121.223 0.001 0.000 2.439 1302 L HA 0.310 4.650 4.340 -0.000 0.000 0.261 1302 L C 1.157 178.040 176.870 0.022 0.000 1.153 1302 L CA -0.425 54.434 54.840 0.032 0.000 0.808 1302 L CB 0.945 43.048 42.059 0.073 0.000 1.126 1302 L HN 0.695 nan 8.230 nan 0.000 0.460 1303 S N -0.906 114.815 115.700 0.034 0.000 2.584 1303 S HA 0.022 4.492 4.470 -0.000 0.000 0.270 1303 S C 1.242 175.865 174.600 0.039 0.000 1.346 1303 S CA -0.126 58.092 58.200 0.029 0.000 1.018 1303 S CB 1.126 64.344 63.200 0.030 0.000 0.899 1303 S HN 0.799 nan 8.310 nan 0.000 0.542 1304 T N -0.221 114.350 114.554 0.028 0.000 2.684 1304 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 1304 T C 1.974 176.720 174.700 0.076 0.000 1.036 1304 T CA 1.676 63.800 62.100 0.040 0.000 1.148 1304 T CB -1.261 67.622 68.868 0.026 0.000 0.863 1304 T HN 0.661 nan 8.240 nan 0.000 0.436 1305 S N 1.152 116.881 115.700 0.049 0.000 2.374 1305 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 1305 S C 2.163 176.832 174.600 0.115 0.000 1.037 1305 S CA 1.997 60.231 58.200 0.056 0.000 1.024 1305 S CB -0.553 62.661 63.200 0.023 0.000 0.861 1305 S HN 0.736 nan 8.310 nan 0.000 0.456 1306 E N 0.111 120.372 120.200 0.102 0.000 2.028 1306 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 1306 E C 2.153 178.874 176.600 0.201 0.000 0.988 1306 E CA 1.230 57.702 56.400 0.120 0.000 0.799 1306 E CB -0.209 29.557 29.700 0.110 0.000 0.755 1306 E HN 0.523 nan 8.360 nan 0.000 0.447 1307 L N 0.054 121.408 121.223 0.218 0.000 2.042 1307 L HA -0.191 4.148 4.340 -0.000 0.000 0.210 1307 L C 2.418 179.432 176.870 0.239 0.000 1.076 1307 L CA 1.223 56.226 54.840 0.272 0.000 0.749 1307 L CB -0.486 41.626 42.059 0.089 0.000 0.893 1307 L HN 0.232 nan 8.230 nan 0.000 0.432 1308 F N 1.063 121.033 119.950 0.033 0.000 2.051 1308 F HA -0.222 4.305 4.527 -0.000 0.000 0.296 1308 F C 2.489 178.278 175.800 -0.018 0.000 1.122 1308 F CA 1.779 59.761 58.000 -0.029 0.000 1.201 1308 F CB -0.165 38.794 39.000 -0.067 0.000 0.978 1308 F HN 0.103 nan 8.300 nan 0.000 0.472 1309 N N -0.088 118.743 118.700 0.218 0.000 2.376 1309 N HA -0.097 4.643 4.740 -0.000 0.000 0.177 1309 N C 0.914 176.392 175.510 -0.053 0.000 1.024 1309 N CA 1.198 54.305 53.050 0.095 0.000 0.893 1309 N CB -0.272 38.294 38.487 0.131 0.000 0.980 1309 N HN 0.383 nan 8.380 nan 0.000 0.439 1310 D N -0.980 119.372 120.400 -0.079 0.000 2.366 1310 D HA 0.115 4.755 4.640 -0.000 0.000 0.205 1310 D C 0.984 176.955 176.300 -0.548 0.000 1.022 1310 D CA 0.385 54.202 54.000 -0.305 0.000 0.868 1310 D CB 0.221 40.806 40.800 -0.358 0.000 0.953 1310 D HN 0.173 nan 8.370 nan 0.000 0.514 1311 F N 0.655 120.527 119.950 -0.130 0.000 2.362 1311 F HA 0.315 4.842 4.527 -0.000 0.000 0.264 1311 F C 2.309 177.933 175.800 -0.294 0.000 0.905 1311 F CA 0.074 57.970 58.000 -0.173 0.000 1.142 1311 F CB -0.762 38.188 39.000 -0.083 0.000 1.250 1311 F HN -0.174 nan 8.300 nan 0.000 0.771 1312 A N 0.213 122.995 122.820 -0.064 0.000 1.908 1312 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 1312 A C 2.177 179.517 177.584 -0.407 0.000 1.181 1312 A CA 2.341 54.227 52.037 -0.252 0.000 0.627 1312 A CB -1.199 17.588 19.000 -0.356 0.000 0.818 1312 A HN 0.201 nan 8.150 nan 0.000 0.445 1313 V N 0.314 119.953 119.914 -0.460 0.000 2.239 1313 V HA -0.126 3.994 4.120 -0.000 0.000 0.242 1313 V C -0.051 175.885 176.094 -0.263 0.000 1.038 1313 V CA 2.331 64.410 62.300 -0.367 0.000 1.002 1313 V CB -1.495 30.143 31.823 -0.309 0.000 0.641 1313 V HN 0.379 nan 8.190 nan 0.000 0.449 1314 P HA -0.115 nan 4.420 nan 0.000 0.216 1314 P C 1.588 178.715 177.300 -0.287 0.000 1.150 1314 P CA 1.444 64.407 63.100 -0.228 0.000 0.837 1314 P CB -0.025 31.535 31.700 -0.232 0.000 0.786 1315 L N -2.084 118.879 121.223 -0.433 0.000 2.592 1315 L HA 0.143 4.483 4.340 -0.000 0.000 0.227 1315 L C 0.415 176.901 176.870 -0.640 0.000 1.127 1315 L CA 0.098 54.558 54.840 -0.634 0.000 0.884 1315 L CB -0.534 40.850 42.059 -1.125 0.000 1.065 1315 L HN -0.125 nan 8.230 nan 0.000 0.457 1316 S N -0.483 114.925 115.700 -0.486 0.000 3.749 1316 S HA -0.198 4.272 4.470 -0.000 0.000 0.348 1316 S C -0.282 173.964 174.600 -0.591 0.000 1.045 1316 S CA 0.284 58.166 58.200 -0.530 0.000 1.051 1316 S CB -1.590 61.389 63.200 -0.368 0.000 0.898 1316 S HN 0.273 nan 8.310 nan 0.000 0.472 1317 Y N 1.693 121.736 120.300 -0.427 0.000 2.632 1317 Y HA 0.273 4.823 4.550 -0.000 0.000 0.336 1317 Y C 1.652 177.359 175.900 -0.322 0.000 1.237 1317 Y CA -1.413 56.484 58.100 -0.339 0.000 1.595 1317 Y CB -0.460 37.882 38.460 -0.197 0.000 1.508 1317 Y HN 0.375 nan 8.280 nan 0.000 0.480 1318 H N 0.689 119.726 119.070 -0.054 0.000 2.387 1318 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 1318 H C 1.415 176.601 175.328 -0.236 0.000 1.090 1318 H CA 1.560 57.504 56.048 -0.173 0.000 1.332 1318 H CB 0.098 29.758 29.762 -0.170 0.000 1.386 1318 H HN 0.514 nan 8.280 nan 0.000 0.516 1319 E N 0.488 120.622 120.200 -0.109 0.000 2.077 1319 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 1319 E C 2.293 178.828 176.600 -0.108 0.000 0.989 1319 E CA 0.665 56.958 56.400 -0.180 0.000 0.800 1319 E CB -0.067 29.532 29.700 -0.167 0.000 0.746 1319 E HN 0.281 nan 8.360 nan 0.000 0.452 1320 I N 1.027 121.562 120.570 -0.058 0.000 2.163 1320 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 1320 I C 2.337 178.422 176.117 -0.053 0.000 1.085 1320 I CA 1.420 62.720 61.300 -0.000 0.000 1.347 1320 I CB -1.563 36.448 38.000 0.018 0.000 1.044 1320 I HN 0.078 nan 8.210 nan 0.000 0.408 1321 A N 1.223 123.939 122.820 -0.173 0.000 1.892 1321 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 1321 A C 2.426 179.754 177.584 -0.426 0.000 1.188 1321 A CA 1.615 53.451 52.037 -0.335 0.000 0.631 1321 A CB -0.961 17.773 19.000 -0.443 0.000 0.822 1321 A HN 0.432 nan 8.150 nan 0.000 0.447 1322 L N -2.112 118.948 121.223 -0.272 0.000 2.083 1322 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 1322 L C 2.521 179.476 176.870 0.142 0.000 1.083 1322 L CA 1.181 55.955 54.840 -0.110 0.000 0.752 1322 L CB -0.549 41.346 42.059 -0.274 0.000 0.899 1322 L HN 0.435 nan 8.230 nan 0.000 0.433 1323 F N 0.974 120.878 119.950 -0.076 0.000 2.186 1323 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 1323 F C 2.285 178.105 175.800 0.034 0.000 1.090 1323 F CA 1.071 59.066 58.000 -0.009 0.000 1.307 1323 F CB -0.402 38.571 39.000 -0.045 0.000 1.019 1323 F HN -0.071 nan 8.300 nan 0.000 0.489 1324 I N -1.166 119.457 120.570 0.088 0.000 2.226 1324 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 1324 I C 2.355 178.585 176.117 0.189 0.000 1.100 1324 I CA 0.916 62.236 61.300 0.033 0.000 1.374 1324 I CB -0.680 37.354 38.000 0.057 0.000 1.057 1324 I HN -0.062 nan 8.210 nan 0.000 0.413 1325 F N 1.480 121.525 119.950 0.158 0.000 2.065 1325 F HA -0.292 4.235 4.527 -0.000 0.000 0.298 1325 F C 2.595 178.522 175.800 0.211 0.000 1.112 1325 F CA 1.717 59.818 58.000 0.168 0.000 1.212 1325 F CB -1.178 37.967 39.000 0.241 0.000 0.975 1325 F HN 0.058 nan 8.300 nan 0.000 0.476 1326 K N 0.262 120.932 120.400 0.451 0.000 2.009 1326 K HA -0.205 4.114 4.320 -0.000 0.000 0.210 1326 K C 2.003 178.757 176.600 0.257 0.000 1.049 1326 K CA 1.768 58.276 56.287 0.370 0.000 0.929 1326 K CB -0.442 32.316 32.500 0.430 0.000 0.714 1326 K HN 0.027 nan 8.250 nan 0.000 0.440 1327 I N 1.611 122.287 120.570 0.177 0.000 2.335 1327 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 1327 I C 2.170 178.333 176.117 0.078 0.000 1.129 1327 I CA 1.369 62.704 61.300 0.058 0.000 1.402 1327 I CB -0.924 37.007 38.000 -0.115 0.000 1.069 1327 I HN 0.329 nan 8.210 nan 0.000 0.424 1328 A N -0.864 122.029 122.820 0.122 0.000 2.238 1328 A HA -0.033 4.287 4.320 -0.000 0.000 0.208 1328 A C 1.029 178.691 177.584 0.130 0.000 1.177 1328 A CA 0.663 52.770 52.037 0.117 0.000 0.804 1328 A CB -0.483 18.597 19.000 0.132 0.000 0.823 1328 A HN 0.422 nan 8.150 nan 0.000 0.482 1329 D N -2.415 118.069 120.400 0.140 0.000 2.751 1329 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 1329 D C -0.442 175.891 176.300 0.054 0.000 1.149 1329 D CA 0.511 54.565 54.000 0.089 0.000 0.682 1329 D CB -1.822 39.002 40.800 0.041 0.000 1.068 1329 D HN 0.371 nan 8.370 nan 0.000 0.429 1330 F N 0.275 120.198 119.950 -0.046 0.000 2.456 1330 F HA 0.367 4.894 4.527 -0.000 0.000 0.358 1330 F C 1.604 177.276 175.800 -0.213 0.000 1.095 1330 F CA 0.075 57.973 58.000 -0.169 0.000 1.216 1330 F CB 0.612 39.455 39.000 -0.263 0.000 1.125 1330 F HN -0.052 nan 8.300 nan 0.000 0.549 1331 R N 2.031 122.019 120.500 -0.854 0.000 2.521 1331 R HA 0.052 4.392 4.340 -0.000 0.000 0.289 1331 R C -0.356 175.616 176.300 -0.548 0.000 0.936 1331 R CA -0.324 55.362 56.100 -0.689 0.000 1.089 1331 R CB 0.124 29.766 30.300 -1.097 0.000 1.348 1331 R HN 0.573 nan 8.270 nan 0.000 0.536 1332 D N 1.155 120.993 120.400 -0.936 0.000 2.451 1332 D HA -0.114 4.526 4.640 -0.000 0.000 0.254 1332 D C 0.672 176.914 176.300 -0.097 0.000 1.204 1332 D CA 0.612 54.326 54.000 -0.477 0.000 0.896 1332 D CB 0.749 41.233 40.800 -0.527 0.000 1.136 1332 D HN 0.212 nan 8.370 nan 0.000 0.499 1333 H N 4.117 123.174 119.070 -0.023 0.000 2.321 1333 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 1333 H C 1.426 176.828 175.328 0.123 0.000 1.087 1333 H CA 1.820 57.925 56.048 0.096 0.000 1.319 1333 H CB 0.532 30.357 29.762 0.105 0.000 1.379 1333 H HN 0.458 nan 8.280 nan 0.000 0.501 1334 E N -0.053 120.238 120.200 0.152 0.000 2.058 1334 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 1334 E C 2.554 179.222 176.600 0.114 0.000 0.997 1334 E CA 1.276 57.746 56.400 0.117 0.000 0.801 1334 E CB -0.482 29.294 29.700 0.127 0.000 0.746 1334 E HN 0.377 nan 8.360 nan 0.000 0.450 1335 V N 1.540 121.534 119.914 0.134 0.000 2.427 1335 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 1335 V C 2.393 178.634 176.094 0.245 0.000 1.051 1335 V CA 1.278 63.693 62.300 0.192 0.000 1.048 1335 V CB -0.443 31.522 31.823 0.236 0.000 0.666 1335 V HN 0.176 nan 8.190 nan 0.000 0.456 1336 I N -0.733 119.953 120.570 0.193 0.000 2.202 1336 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 1336 I C 2.476 178.831 176.117 0.396 0.000 1.091 1336 I CA 1.311 62.806 61.300 0.325 0.000 1.368 1336 I CB -0.344 37.830 38.000 0.290 0.000 1.058 1336 I HN 0.232 nan 8.210 nan 0.000 0.410 1337 M N 0.409 120.133 119.600 0.205 0.000 2.296 1337 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 1337 M C 2.513 178.973 176.300 0.266 0.000 1.064 1337 M CA 1.404 56.845 55.300 0.234 0.000 1.109 1337 M CB -1.410 31.178 32.600 -0.020 0.000 1.396 1337 M HN 0.280 nan 8.290 nan 0.000 0.430 1338 A N 0.324 123.269 122.820 0.208 0.000 1.930 1338 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 1338 A C 2.311 179.994 177.584 0.166 0.000 1.175 1338 A CA 1.881 54.025 52.037 0.178 0.000 0.627 1338 A CB -0.455 18.642 19.000 0.161 0.000 0.815 1338 A HN 0.350 nan 8.150 nan 0.000 0.443 1339 K N -0.875 119.651 120.400 0.211 0.000 2.057 1339 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 1339 K C 1.561 178.155 176.600 -0.009 0.000 1.050 1339 K CA 1.503 57.843 56.287 0.088 0.000 0.935 1339 K CB -0.568 32.044 32.500 0.188 0.000 0.715 1339 K HN 0.616 nan 8.250 nan 0.000 0.439 1340 W N 1.033 122.395 121.300 0.103 0.000 2.342 1340 W HA -0.159 4.501 4.660 -0.000 0.000 0.297 1340 W C 1.923 178.523 176.519 0.136 0.000 1.213 1340 W CA 1.541 58.942 57.345 0.093 0.000 1.251 1340 W CB -0.412 29.177 29.460 0.215 0.000 1.136 1340 W HN 0.313 nan 8.180 nan 0.000 0.526 1341 D N 0.049 120.666 120.400 0.362 0.000 2.117 1341 D HA -0.194 4.445 4.640 -0.000 0.000 0.197 1341 D C 1.769 178.150 176.300 0.135 0.000 0.987 1341 D CA 1.647 55.820 54.000 0.289 0.000 0.829 1341 D CB -0.083 40.831 40.800 0.189 0.000 0.961 1341 D HN 0.144 nan 8.370 nan 0.000 0.460 1342 E N -0.558 119.606 120.200 -0.059 0.000 2.110 1342 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 1342 E C 2.038 178.460 176.600 -0.296 0.000 0.988 1342 E CA 0.444 56.667 56.400 -0.295 0.000 0.804 1342 E CB -0.110 29.141 29.700 -0.749 0.000 0.745 1342 E HN 0.267 nan 8.360 nan 0.000 0.458 1343 L N 0.306 121.363 121.223 -0.277 0.000 1.989 1343 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 1343 L C 1.995 178.764 176.870 -0.167 0.000 1.071 1343 L CA 1.768 56.508 54.840 -0.167 0.000 0.749 1343 L CB -0.558 41.302 42.059 -0.332 0.000 0.890 1343 L HN 0.026 nan 8.230 nan 0.000 0.431 1344 F N -0.246 119.652 119.950 -0.087 0.000 2.134 1344 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 1344 F C 2.646 178.407 175.800 -0.066 0.000 1.097 1344 F CA 1.744 59.552 58.000 -0.320 0.000 1.264 1344 F CB -0.755 37.883 39.000 -0.603 0.000 1.001 1344 F HN 0.208 nan 8.300 nan 0.000 0.479 1345 Q N -0.273 119.656 119.800 0.215 0.000 2.167 1345 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 1345 Q C 2.410 178.543 176.000 0.222 0.000 0.970 1345 Q CA 1.707 57.659 55.803 0.249 0.000 0.855 1345 Q CB -0.277 28.570 28.738 0.181 0.000 0.911 1345 Q HN 0.481 nan 8.270 nan 0.000 0.438 1346 S N 0.357 116.167 115.700 0.183 0.000 2.383 1346 S HA -0.089 4.381 4.470 -0.000 0.000 0.227 1346 S C 1.920 176.640 174.600 0.199 0.000 1.026 1346 S CA 0.614 58.924 58.200 0.184 0.000 0.981 1346 S CB -0.402 62.926 63.200 0.213 0.000 0.818 1346 S HN 0.265 nan 8.310 nan 0.000 0.472 1347 L N 0.955 122.309 121.223 0.217 0.000 2.046 1347 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 1347 L C 3.187 180.344 176.870 0.479 0.000 1.077 1347 L CA 1.435 56.464 54.840 0.314 0.000 0.747 1347 L CB -0.467 41.743 42.059 0.252 0.000 0.896 1347 L HN 0.298 nan 8.230 nan 0.000 0.432 1348 R N -0.415 120.400 120.500 0.524 0.000 2.117 1348 R HA -0.194 4.146 4.340 -0.000 0.000 0.243 1348 R C 2.322 178.758 176.300 0.227 0.000 1.143 1348 R CA 1.405 57.747 56.100 0.404 0.000 0.968 1348 R CB -0.062 30.482 30.300 0.407 0.000 0.863 1348 R HN 0.268 nan 8.270 nan 0.000 0.444 1349 M N 0.598 120.321 119.600 0.204 0.000 2.213 1349 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 1349 M C 1.745 178.108 176.300 0.106 0.000 1.062 1349 M CA 1.602 56.978 55.300 0.127 0.000 1.105 1349 M CB -0.581 32.088 32.600 0.115 0.000 1.385 1349 M HN 0.270 nan 8.290 nan 0.000 0.417 1350 E N -1.155 119.140 120.200 0.157 0.000 2.474 1350 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 1350 E C 0.363 177.058 176.600 0.159 0.000 1.041 1350 E CA -0.291 56.192 56.400 0.139 0.000 0.874 1350 E CB -0.208 29.586 29.700 0.157 0.000 0.914 1350 E HN 0.194 nan 8.360 nan 0.000 0.498 1351 F N 2.812 122.724 119.950 -0.064 0.000 2.456 1351 F HA 0.293 4.820 4.527 -0.000 0.000 0.358 1351 F C -0.319 175.356 175.800 -0.208 0.000 1.095 1351 F CA -1.230 56.611 58.000 -0.265 0.000 1.216 1351 F CB 0.741 39.201 39.000 -0.899 0.000 1.125 1351 F HN -0.207 nan 8.300 nan 0.000 0.549 1352 N N 4.839 123.065 118.700 -0.790 0.000 2.527 1352 N HA 0.122 4.862 4.740 -0.000 0.000 0.236 1352 N C -1.104 173.648 175.510 -1.263 0.000 0.999 1352 N CA -0.233 52.356 53.050 -0.768 0.000 0.935 1352 N CB -0.012 38.284 38.487 -0.319 0.000 1.132 1352 N HN 0.476 nan 8.380 nan 0.000 0.511 1353 N N 1.775 119.800 118.700 -1.126 0.000 2.645 1353 N HA 0.079 4.819 4.740 -0.000 0.000 0.233 1353 N C 0.318 175.628 175.510 -0.335 0.000 1.058 1353 N CA 0.055 52.617 53.050 -0.814 0.000 0.942 1353 N CB 0.537 38.710 38.487 -0.524 0.000 1.210 1353 N HN 0.549 nan 8.380 nan 0.000 0.512 1354 T N -1.347 113.077 114.554 -0.216 0.000 3.022 1354 T HA 0.210 4.559 4.350 -0.000 0.000 0.250 1354 T C 1.251 175.938 174.700 -0.022 0.000 1.060 1354 T CA 0.416 62.456 62.100 -0.101 0.000 1.013 1354 T CB 0.291 69.115 68.868 -0.074 0.000 0.982 1354 T HN 0.424 nan 8.240 nan 0.000 0.508 1355 G N 1.687 110.507 108.800 0.032 0.000 2.162 1355 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 1355 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 1355 G C 0.008 175.063 174.900 0.257 0.000 0.976 1355 G CA 0.122 45.292 45.100 0.116 0.000 0.655 1355 G HN 0.625 nan 8.290 nan 0.000 0.533 1356 K N 0.473 120.966 120.400 0.154 0.000 2.368 1356 K HA 0.259 4.579 4.320 -0.000 0.000 0.282 1356 K C 1.546 178.167 176.600 0.035 0.000 1.035 1356 K CA -0.102 56.249 56.287 0.107 0.000 0.973 1356 K CB 0.839 33.362 32.500 0.039 0.000 0.957 1356 K HN 0.185 nan 8.250 nan 0.000 0.474 1357 K N 2.958 123.279 120.400 -0.132 0.000 2.063 1357 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 1357 K C 1.511 177.958 176.600 -0.256 0.000 1.048 1357 K CA 1.706 57.664 56.287 -0.548 0.000 0.928 1357 K CB 0.256 32.547 32.500 -0.349 0.000 0.713 1357 K HN 0.607 nan 8.250 nan 0.000 0.442 1358 E N 0.748 120.891 120.200 -0.095 0.000 2.051 1358 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 1358 E C 1.489 178.105 176.600 0.027 0.000 0.991 1358 E CA 1.224 57.606 56.400 -0.029 0.000 0.799 1358 E CB -0.558 29.138 29.700 -0.006 0.000 0.748 1358 E HN 0.303 nan 8.360 nan 0.000 0.449 1359 D N 1.324 121.762 120.400 0.063 0.000 2.123 1359 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 1359 D C 2.174 178.651 176.300 0.296 0.000 0.992 1359 D CA 1.522 55.622 54.000 0.167 0.000 0.833 1359 D CB -0.255 40.617 40.800 0.119 0.000 0.954 1359 D HN 0.107 nan 8.370 nan 0.000 0.455 1360 S N 0.207 116.033 115.700 0.209 0.000 2.353 1360 S HA -0.155 4.315 4.470 -0.000 0.000 0.222 1360 S C 2.088 176.738 174.600 0.085 0.000 1.035 1360 S CA 0.964 59.277 58.200 0.188 0.000 1.025 1360 S CB -0.182 63.102 63.200 0.139 0.000 0.902 1360 S HN 0.259 nan 8.310 nan 0.000 0.440 1361 M N 1.547 121.157 119.600 0.016 0.000 2.082 1361 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 1361 M C 1.961 178.276 176.300 0.024 0.000 1.071 1361 M CA 1.723 57.026 55.300 0.005 0.000 1.103 1361 M CB -0.846 31.745 32.600 -0.015 0.000 1.307 1361 M HN 0.373 nan 8.290 nan 0.000 0.409 1362 N N -0.295 118.443 118.700 0.063 0.000 2.036 1362 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 1362 N C 1.641 177.200 175.510 0.081 0.000 1.037 1362 N CA 1.471 54.566 53.050 0.075 0.000 0.855 1362 N CB -0.346 38.205 38.487 0.107 0.000 1.033 1362 N HN 0.181 nan 8.380 nan 0.000 0.423 1363 F N 1.920 121.849 119.950 -0.035 0.000 2.126 1363 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 1363 F C 1.936 177.594 175.800 -0.236 0.000 1.096 1363 F CA 1.165 59.057 58.000 -0.180 0.000 1.255 1363 F CB -0.307 38.330 39.000 -0.606 0.000 0.997 1363 F HN -0.006 nan 8.300 nan 0.000 0.479 1364 I N 0.124 120.520 120.570 -0.291 0.000 2.226 1364 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 1364 I C 2.076 178.055 176.117 -0.231 0.000 1.100 1364 I CA 1.381 62.482 61.300 -0.332 0.000 1.374 1364 I CB -0.660 37.302 38.000 -0.064 0.000 1.057 1364 I HN 0.151 nan 8.210 nan 0.000 0.413 1365 N N 0.998 119.619 118.700 -0.132 0.000 2.043 1365 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 1365 N C 1.785 177.219 175.510 -0.126 0.000 1.037 1365 N CA 1.615 54.611 53.050 -0.091 0.000 0.851 1365 N CB -0.609 37.852 38.487 -0.042 0.000 1.027 1365 N HN 0.337 nan 8.380 nan 0.000 0.422 1366 L N -0.203 120.932 121.223 -0.146 0.000 2.046 1366 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 1366 L C 1.950 178.699 176.870 -0.202 0.000 1.077 1366 L CA 1.461 56.224 54.840 -0.129 0.000 0.747 1366 L CB -1.007 41.014 42.059 -0.063 0.000 0.896 1366 L HN 0.098 nan 8.230 nan 0.000 0.432 1367 L N -0.065 120.929 121.223 -0.381 0.000 2.042 1367 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 1367 L C 2.435 179.185 176.870 -0.200 0.000 1.076 1367 L CA 2.133 56.740 54.840 -0.388 0.000 0.749 1367 L CB -1.082 40.546 42.059 -0.718 0.000 0.893 1367 L HN 0.441 nan 8.230 nan 0.000 0.432 1368 S N 0.153 115.758 115.700 -0.157 0.000 2.355 1368 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 1368 S C 1.709 176.258 174.600 -0.085 0.000 1.031 1368 S CA 1.273 59.426 58.200 -0.079 0.000 0.993 1368 S CB -0.548 62.623 63.200 -0.048 0.000 0.859 1368 S HN 0.555 nan 8.310 nan 0.000 0.453 1369 N N 1.488 120.135 118.700 -0.089 0.000 2.104 1369 N HA -0.079 4.661 4.740 -0.000 0.000 0.190 1369 N C 1.772 177.231 175.510 -0.085 0.000 1.024 1369 N CA 0.979 53.982 53.050 -0.078 0.000 0.853 1369 N CB -0.907 37.538 38.487 -0.069 0.000 1.008 1369 N HN 0.192 nan 8.380 nan 0.000 0.424 1370 V N 1.680 121.536 119.914 -0.097 0.000 2.287 1370 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 1370 V C 2.320 178.367 176.094 -0.078 0.000 1.053 1370 V CA 1.352 63.592 62.300 -0.100 0.000 1.027 1370 V CB -0.490 31.261 31.823 -0.119 0.000 0.646 1370 V HN 0.229 nan 8.190 nan 0.000 0.447 1371 L N -1.060 120.127 121.223 -0.059 0.000 2.156 1371 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 1371 L C 2.279 179.140 176.870 -0.015 0.000 1.095 1371 L CA 1.175 56.024 54.840 0.015 0.000 0.770 1371 L CB -0.445 41.614 42.059 0.001 0.000 0.914 1371 L HN 0.253 nan 8.230 nan 0.000 0.439 1372 I N 0.130 120.659 120.570 -0.070 0.000 2.226 1372 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 1372 I C 2.745 178.795 176.117 -0.112 0.000 1.100 1372 I CA 1.400 62.646 61.300 -0.090 0.000 1.374 1372 I CB -0.216 37.736 38.000 -0.079 0.000 1.057 1372 I HN 0.255 nan 8.210 nan 0.000 0.413 1373 K N 1.015 121.351 120.400 -0.107 0.000 2.025 1373 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 1373 K C 2.225 178.722 176.600 -0.172 0.000 1.049 1373 K CA 1.592 57.801 56.287 -0.131 0.000 0.933 1373 K CB -0.122 32.308 32.500 -0.118 0.000 0.714 1373 K HN 0.117 nan 8.250 nan 0.000 0.438 1374 I N 1.123 121.608 120.570 -0.141 0.000 2.226 1374 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 1374 I C 1.961 177.954 176.117 -0.207 0.000 1.100 1374 I CA 1.853 63.058 61.300 -0.159 0.000 1.374 1374 I CB -0.743 37.211 38.000 -0.077 0.000 1.057 1374 I HN 0.262 nan 8.210 nan 0.000 0.413 1375 G N 0.079 108.743 108.800 -0.226 0.000 2.408 1375 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 1375 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 1375 G C 1.780 176.354 174.900 -0.543 0.000 1.150 1375 G CA 0.624 45.314 45.100 -0.684 0.000 0.776 1375 G HN 0.388 nan 8.290 nan 0.000 0.542 1376 K N 0.108 120.315 120.400 -0.321 0.000 2.113 1376 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 1376 K C 2.224 178.663 176.600 -0.267 0.000 1.047 1376 K CA 1.466 57.604 56.287 -0.248 0.000 0.928 1376 K CB -0.211 32.179 32.500 -0.184 0.000 0.716 1376 K HN 0.348 nan 8.250 nan 0.000 0.446 1377 N N -0.286 118.212 118.700 -0.336 0.000 2.376 1377 N HA -0.093 4.647 4.740 -0.000 0.000 0.177 1377 N C 1.304 176.609 175.510 -0.343 0.000 1.024 1377 N CA 0.862 53.656 53.050 -0.426 0.000 0.893 1377 N CB 0.566 38.591 38.487 -0.770 0.000 0.980 1377 N HN 0.053 nan 8.380 nan 0.000 0.439 1378 V N -1.503 118.236 119.914 -0.292 0.000 3.432 1378 V HA 0.153 4.272 4.120 -0.000 0.000 0.298 1378 V C 1.558 177.605 176.094 -0.080 0.000 1.464 1378 V CA -0.083 62.156 62.300 -0.101 0.000 1.046 1378 V CB 0.374 32.232 31.823 0.059 0.000 0.887 1378 V HN 0.073 nan 8.190 nan 0.000 0.441 1379 Q N 2.597 122.198 119.800 -0.332 0.000 2.226 1379 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 1379 Q C 1.484 177.528 176.000 0.072 0.000 0.975 1379 Q CA 2.295 57.955 55.803 -0.238 0.000 0.866 1379 Q CB -1.107 27.427 28.738 -0.341 0.000 0.915 1379 Q HN 0.766 nan 8.270 nan 0.000 0.440 1380 D N 0.024 120.446 120.400 0.036 0.000 2.392 1380 D HA -0.057 4.583 4.640 -0.000 0.000 0.228 1380 D C -0.175 176.204 176.300 0.131 0.000 1.003 1380 D CA 0.596 54.644 54.000 0.080 0.000 0.917 1380 D CB 0.017 40.847 40.800 0.050 0.000 0.890 1380 D HN 0.191 nan 8.370 nan 0.000 0.532 1381 S N -0.190 115.619 115.700 0.181 0.000 2.498 1381 S HA 0.186 4.656 4.470 -0.000 0.000 0.317 1381 S C 0.547 175.295 174.600 0.245 0.000 1.090 1381 S CA -0.721 57.620 58.200 0.235 0.000 1.089 1381 S CB 1.630 65.011 63.200 0.300 0.000 0.997 1381 S HN 0.020 nan 8.310 nan 0.000 0.470 1382 E N 3.355 123.618 120.200 0.104 0.000 2.481 1382 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 1382 E C 0.229 176.781 176.600 -0.080 0.000 1.047 1382 E CA 0.584 56.971 56.400 -0.022 0.000 0.867 1382 E CB 0.051 29.638 29.700 -0.187 0.000 0.858 1382 E HN 0.769 nan 8.360 nan 0.000 0.513 1383 F N 0.204 120.274 119.950 0.200 0.000 2.317 1383 F HA -0.009 4.518 4.527 -0.000 0.000 0.293 1383 F C 2.038 178.015 175.800 0.294 0.000 1.085 1383 F CA 0.463 58.587 58.000 0.207 0.000 1.390 1383 F CB 0.166 39.249 39.000 0.138 0.000 1.077 1383 F HN 0.011 nan 8.300 nan 0.000 0.517 1384 I N -1.871 119.016 120.570 0.529 0.000 3.228 1384 I HA -0.052 4.118 4.170 -0.000 0.000 0.279 1384 I C 0.142 176.726 176.117 0.778 0.000 1.221 1384 I CA 0.940 62.608 61.300 0.613 0.000 1.458 1384 I CB -0.596 37.726 38.000 0.536 0.000 1.105 1384 I HN 0.006 nan 8.210 nan 0.000 0.445 1385 F N 4.022 124.195 119.950 0.371 0.000 2.523 1385 F HA 0.450 4.977 4.527 -0.000 0.000 0.322 1385 F C -2.430 173.457 175.800 0.144 0.000 1.361 1385 F CA -2.975 55.189 58.000 0.274 0.000 1.151 1385 F CB 0.551 39.704 39.000 0.256 0.000 1.391 1385 F HN -0.154 nan 8.300 nan 0.000 0.566 1386 P HA 0.214 nan 4.420 nan 0.000 0.260 1386 P C 1.214 178.427 177.300 -0.145 0.000 1.651 1386 P CA 0.315 63.416 63.100 0.001 0.000 1.139 1386 P CB 0.127 31.904 31.700 0.127 0.000 1.756 1387 I N 1.144 121.604 120.570 -0.183 0.000 2.194 1387 I HA -0.292 3.878 4.170 -0.000 0.000 0.246 1387 I C 2.008 177.976 176.117 -0.247 0.000 1.093 1387 I CA 1.494 62.602 61.300 -0.320 0.000 1.355 1387 I CB -0.545 37.283 38.000 -0.286 0.000 1.046 1387 I HN 0.146 nan 8.210 nan 0.000 0.413 1388 F N 1.689 121.496 119.950 -0.239 0.000 2.202 1388 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 1388 F C 2.218 177.936 175.800 -0.137 0.000 1.082 1388 F CA 1.870 59.748 58.000 -0.204 0.000 1.313 1388 F CB -0.014 38.894 39.000 -0.153 0.000 1.024 1388 F HN 0.045 nan 8.300 nan 0.000 0.495 1389 E N -0.429 119.761 120.200 -0.017 0.000 2.251 1389 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 1389 E C 2.144 178.668 176.600 -0.126 0.000 0.964 1389 E CA 0.515 56.897 56.400 -0.030 0.000 0.868 1389 E CB -0.168 29.617 29.700 0.143 0.000 0.828 1389 E HN 0.357 nan 8.360 nan 0.000 0.481 1390 L N -0.216 120.884 121.223 -0.205 0.000 2.131 1390 L HA -0.017 4.323 4.340 -0.000 0.000 0.206 1390 L C 2.045 178.862 176.870 -0.088 0.000 1.087 1390 L CA 0.641 55.341 54.840 -0.233 0.000 0.767 1390 L CB -0.259 41.547 42.059 -0.422 0.000 0.917 1390 L HN 0.134 nan 8.230 nan 0.000 0.441 1391 F N 1.798 121.551 119.950 -0.329 0.000 2.065 1391 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 1391 F C -0.469 175.228 175.800 -0.171 0.000 1.112 1391 F CA 1.946 59.737 58.000 -0.348 0.000 1.212 1391 F CB -1.287 37.280 39.000 -0.722 0.000 0.975 1391 F HN 0.045 nan 8.300 nan 0.000 0.476 1392 P HA -0.152 nan 4.420 nan 0.000 0.217 1392 P C 2.021 179.296 177.300 -0.042 0.000 1.150 1392 P CA 1.718 64.849 63.100 0.052 0.000 0.832 1392 P CB -0.136 31.603 31.700 0.065 0.000 0.787 1393 I N -1.186 119.316 120.570 -0.113 0.000 2.226 1393 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 1393 I C 2.107 178.078 176.117 -0.243 0.000 1.100 1393 I CA 1.352 62.538 61.300 -0.189 0.000 1.374 1393 I CB -0.584 37.255 38.000 -0.269 0.000 1.057 1393 I HN -0.162 nan 8.210 nan 0.000 0.413 1394 V N 0.158 119.944 119.914 -0.213 0.000 2.358 1394 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 1394 V C 2.613 178.778 176.094 0.119 0.000 1.047 1394 V CA 1.625 63.899 62.300 -0.043 0.000 1.035 1394 V CB -0.587 31.262 31.823 0.042 0.000 0.658 1394 V HN 0.551 nan 8.190 nan 0.000 0.452 1395 C N 0.459 119.700 119.300 -0.098 0.000 2.393 1395 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 1395 C C 2.612 177.728 174.990 0.211 0.000 1.215 1395 C CA 1.798 60.818 59.018 0.004 0.000 1.743 1395 C CB -1.669 26.052 27.740 -0.031 0.000 2.044 1395 C HN 0.669 nan 8.230 nan 0.000 0.464 1396 N N -0.283 118.486 118.700 0.115 0.000 2.120 1396 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 1396 N C 1.592 177.215 175.510 0.188 0.000 1.024 1396 N CA 1.391 54.514 53.050 0.121 0.000 0.852 1396 N CB -0.292 38.227 38.487 0.053 0.000 1.003 1396 N HN 0.540 nan 8.380 nan 0.000 0.424 1397 F N 1.131 121.097 119.950 0.027 0.000 2.075 1397 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 1397 F C 1.745 177.618 175.800 0.121 0.000 1.113 1397 F CA 1.287 59.300 58.000 0.021 0.000 1.218 1397 F CB -0.496 38.426 39.000 -0.130 0.000 0.984 1397 F HN -0.096 nan 8.300 nan 0.000 0.472 1398 F N -0.450 119.517 119.950 0.029 0.000 2.087 1398 F HA -0.306 4.221 4.527 -0.000 0.000 0.299 1398 F C 2.289 177.960 175.800 -0.215 0.000 1.100 1398 F CA 2.216 60.144 58.000 -0.121 0.000 1.226 1398 F CB -1.214 37.715 39.000 -0.118 0.000 0.983 1398 F HN 0.018 nan 8.300 nan 0.000 0.479 1399 Y N -0.602 119.759 120.300 0.101 0.000 2.395 1399 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 1399 Y C 2.230 178.109 175.900 -0.036 0.000 1.123 1399 Y CA 1.008 59.125 58.100 0.028 0.000 1.227 1399 Y CB -0.467 38.001 38.460 0.014 0.000 1.012 1399 Y HN 0.108 nan 8.280 nan 0.000 0.552 1400 E N -1.017 119.214 120.200 0.052 0.000 2.208 1400 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 1400 E C 1.714 178.249 176.600 -0.108 0.000 0.988 1400 E CA 1.593 57.978 56.400 -0.026 0.000 0.828 1400 E CB 0.029 29.705 29.700 -0.039 0.000 0.763 1400 E HN 0.374 nan 8.360 nan 0.000 0.478 1401 T N 0.479 114.898 114.554 -0.226 0.000 2.953 1401 T HA 0.127 4.477 4.350 -0.000 0.000 0.247 1401 T C 0.805 175.431 174.700 -0.123 0.000 1.029 1401 T CA 0.343 62.282 62.100 -0.269 0.000 1.144 1401 T CB 0.209 68.732 68.868 -0.576 0.000 0.870 1401 T HN -0.072 nan 8.240 nan 0.000 0.446 1402 L N 1.431 122.572 121.223 -0.135 0.000 2.352 1402 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 1402 L C -2.490 174.351 176.870 -0.047 0.000 1.034 1402 L CA -2.664 52.147 54.840 -0.048 0.000 0.806 1402 L CB 0.379 42.398 42.059 -0.066 0.000 1.244 1402 L HN -0.114 nan 8.230 nan 0.000 0.447 1403 P HA 0.040 nan 4.420 nan 0.000 0.264 1403 P C -0.116 177.110 177.300 -0.123 0.000 1.193 1403 P CA 0.045 63.061 63.100 -0.139 0.000 0.763 1403 P CB 0.489 31.950 31.700 -0.397 0.000 0.810 1404 K N 3.028 123.387 120.400 -0.068 0.000 2.059 1404 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 1404 K C 1.647 178.239 176.600 -0.013 0.000 1.050 1404 K CA 1.651 57.936 56.287 -0.003 0.000 0.927 1404 K CB -0.161 32.395 32.500 0.093 0.000 0.714 1404 K HN 0.620 nan 8.250 nan 0.000 0.447 1405 E N 0.781 120.948 120.200 -0.055 0.000 2.472 1405 E HA -0.197 4.153 4.350 -0.000 0.000 0.200 1405 E C 0.876 177.533 176.600 0.094 0.000 1.046 1405 E CA 1.340 57.735 56.400 -0.009 0.000 0.871 1405 E CB -0.325 29.346 29.700 -0.048 0.000 0.806 1405 E HN 0.624 nan 8.360 nan 0.000 0.533 1406 H N 0.023 119.094 119.070 0.002 0.000 2.575 1406 H HA 0.321 4.877 4.556 -0.000 0.000 0.267 1406 H C 0.314 175.637 175.328 -0.009 0.000 0.966 1406 H CA -0.417 55.634 56.048 0.006 0.000 1.165 1406 H CB 0.612 30.384 29.762 0.017 0.000 1.433 1406 H HN 0.046 nan 8.280 nan 0.000 0.544 1407 I N 2.732 123.340 120.570 0.062 0.000 2.291 1407 I HA 0.082 4.252 4.170 -0.000 0.000 0.290 1407 I C -0.272 175.849 176.117 0.006 0.000 1.050 1407 I CA -0.527 60.762 61.300 -0.020 0.000 1.245 1407 I CB 1.163 39.010 38.000 -0.256 0.000 1.405 1407 I HN -0.119 nan 8.210 nan 0.000 0.478 1408 V N 4.855 124.773 119.914 0.006 0.000 2.649 1408 V HA 0.123 4.243 4.120 -0.000 0.000 0.292 1408 V C 0.843 176.911 176.094 -0.043 0.000 1.055 1408 V CA -0.471 61.833 62.300 0.007 0.000 1.023 1408 V CB 1.225 33.054 31.823 0.011 0.000 0.992 1408 V HN 0.731 nan 8.190 nan 0.000 0.480 1409 S N 2.967 118.675 115.700 0.014 0.000 2.558 1409 S HA 0.367 4.837 4.470 -0.000 0.000 0.291 1409 S C 1.331 175.794 174.600 -0.227 0.000 1.306 1409 S CA 0.779 58.983 58.200 0.007 0.000 1.056 1409 S CB 0.424 63.713 63.200 0.147 0.000 0.836 1409 S HN 1.599 nan 8.310 nan 0.000 0.504 1410 G N 2.288 110.831 108.800 -0.429 0.000 2.234 1410 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.235 1410 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.235 1410 G C 1.147 175.489 174.900 -0.930 0.000 0.997 1410 G CA 0.411 44.759 45.100 -1.253 0.000 0.623 1410 G HN 0.666 nan 8.290 nan 0.000 0.514 1411 S N 0.201 115.572 115.700 -0.549 0.000 2.420 1411 S HA -0.065 4.405 4.470 -0.000 0.000 0.237 1411 S C 2.193 176.491 174.600 -0.504 0.000 1.023 1411 S CA 1.712 59.654 58.200 -0.429 0.000 0.991 1411 S CB -0.135 62.877 63.200 -0.313 0.000 0.792 1411 S HN 0.512 nan 8.310 nan 0.000 0.488 1412 I N -0.147 120.095 120.570 -0.547 0.000 2.499 1412 I HA 0.050 4.220 4.170 -0.000 0.000 0.243 1412 I C 2.254 178.322 176.117 -0.081 0.000 1.085 1412 I CA 0.450 61.462 61.300 -0.480 0.000 1.422 1412 I CB -0.816 36.807 38.000 -0.627 0.000 1.165 1412 I HN 0.100 nan 8.210 nan 0.000 0.440 1413 V N 0.594 120.537 119.914 0.048 0.000 2.407 1413 V HA -0.263 3.856 4.120 -0.000 0.000 0.248 1413 V C 2.702 178.865 176.094 0.115 0.000 1.055 1413 V CA 2.353 64.836 62.300 0.306 0.000 1.049 1413 V CB -0.496 31.484 31.823 0.261 0.000 0.662 1413 V HN 0.675 nan 8.190 nan 0.000 0.455 1414 S N -0.484 115.078 115.700 -0.231 0.000 2.419 1414 S HA -0.184 4.285 4.470 -0.000 0.000 0.233 1414 S C 1.891 176.458 174.600 -0.055 0.000 1.016 1414 S CA 1.795 59.889 58.200 -0.177 0.000 0.974 1414 S CB -0.743 62.213 63.200 -0.406 0.000 0.786 1414 S HN 0.608 nan 8.310 nan 0.000 0.492 1415 I N 0.422 120.939 120.570 -0.087 0.000 2.118 1415 I HA -0.188 3.982 4.170 -0.000 0.000 0.241 1415 I C 2.216 178.254 176.117 -0.131 0.000 1.070 1415 I CA 1.866 63.077 61.300 -0.149 0.000 1.327 1415 I CB -0.479 37.349 38.000 -0.287 0.000 1.034 1415 I HN 0.259 nan 8.210 nan 0.000 0.405 1416 F N 0.075 120.064 119.950 0.064 0.000 2.146 1416 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 1416 F C 2.381 178.196 175.800 0.025 0.000 1.096 1416 F CA 0.984 59.053 58.000 0.115 0.000 1.275 1416 F CB -0.528 38.541 39.000 0.114 0.000 1.008 1416 F HN -0.034 nan 8.300 nan 0.000 0.480 1417 I N 0.056 120.688 120.570 0.102 0.000 2.163 1417 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 1417 I C 2.286 178.387 176.117 -0.026 0.000 1.085 1417 I CA 1.798 63.043 61.300 -0.092 0.000 1.347 1417 I CB -1.759 36.090 38.000 -0.252 0.000 1.044 1417 I HN 0.167 nan 8.210 nan 0.000 0.408 1418 T N 1.181 115.736 114.554 0.003 0.000 2.915 1418 T HA -0.014 4.336 4.350 -0.000 0.000 0.269 1418 T C 1.941 176.630 174.700 -0.019 0.000 1.071 1418 T CA 1.115 63.216 62.100 0.001 0.000 1.132 1418 T CB -0.235 68.633 68.868 0.001 0.000 0.878 1418 T HN 0.442 nan 8.240 nan 0.000 0.479 1419 A N 0.660 123.469 122.820 -0.018 0.000 2.121 1419 A HA 0.411 4.731 4.320 -0.000 0.000 0.218 1419 A C 2.020 179.573 177.584 -0.051 0.000 1.154 1419 A CA 1.275 53.278 52.037 -0.056 0.000 0.679 1419 A CB -0.660 18.312 19.000 -0.047 0.000 0.795 1419 A HN 0.767 nan 8.150 nan 0.000 0.458 1420 G N -2.417 106.392 108.800 0.014 0.000 2.164 1420 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.154 1420 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.154 1420 G C 0.011 175.009 174.900 0.163 0.000 1.014 1420 G CA -0.136 44.986 45.100 0.036 0.000 0.683 1420 G HN 0.716 nan 8.290 nan 0.000 0.500 1421 V N 2.372 122.386 119.914 0.166 0.000 2.614 1421 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 1421 V C 1.443 177.578 176.094 0.068 0.000 1.049 1421 V CA 0.169 62.576 62.300 0.178 0.000 1.038 1421 V CB 1.342 33.273 31.823 0.181 0.000 0.980 1421 V HN 1.023 nan 8.190 nan 0.000 0.481 1422 S N 3.778 119.468 115.700 -0.016 0.000 2.573 1422 S HA 0.207 4.677 4.470 -0.000 0.000 0.277 1422 S C 0.749 175.161 174.600 -0.314 0.000 1.346 1422 S CA -0.096 57.856 58.200 -0.413 0.000 1.034 1422 S CB 0.112 62.908 63.200 -0.672 0.000 0.879 1422 S HN 0.436 nan 8.310 nan 0.000 0.528 1423 F N 1.778 121.390 119.950 -0.563 0.000 2.126 1423 F HA -0.138 4.389 4.527 0.000 0.000 0.299 1423 F C 2.513 177.890 175.800 -0.706 0.000 1.096 1423 F CA 1.844 59.372 58.000 -0.787 0.000 1.255 1423 F CB -0.526 37.525 39.000 -1.582 0.000 0.997 1423 F HN 0.665 nan 8.300 nan 0.000 0.479 1424 N N 0.544 119.035 118.700 -0.348 0.000 2.018 1424 N HA -0.270 4.470 4.740 -0.000 0.000 0.196 1424 N C 1.925 177.564 175.510 0.216 0.000 1.043 1424 N CA 1.720 54.821 53.050 0.085 0.000 0.856 1424 N CB -0.523 38.102 38.487 0.229 0.000 1.042 1424 N HN 0.301 nan 8.380 nan 0.000 0.423 1425 K N 0.761 121.225 120.400 0.107 0.000 2.032 1425 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 1425 K C 2.232 178.858 176.600 0.043 0.000 1.048 1425 K CA 1.290 57.650 56.287 0.122 0.000 0.927 1425 K CB -0.134 32.405 32.500 0.064 0.000 0.712 1425 K HN -0.047 nan 8.250 nan 0.000 0.441 1426 M N 0.393 119.955 119.600 -0.062 0.000 2.108 1426 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 1426 M C 1.903 178.103 176.300 -0.168 0.000 1.066 1426 M CA 1.603 56.801 55.300 -0.169 0.000 1.107 1426 M CB -0.696 31.780 32.600 -0.207 0.000 1.356 1426 M HN 0.379 nan 8.290 nan 0.000 0.406 1427 Y N -0.623 119.566 120.300 -0.186 0.000 2.128 1427 Y HA -0.311 4.239 4.550 0.000 0.000 0.284 1427 Y C 1.786 177.555 175.900 -0.217 0.000 1.154 1427 Y CA 2.084 60.071 58.100 -0.188 0.000 1.149 1427 Y CB -0.743 37.671 38.460 -0.076 0.000 0.976 1427 Y HN 0.294 nan 8.280 nan 0.000 0.505 1428 Y N -0.012 120.237 120.300 -0.085 0.000 2.242 1428 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 1428 Y C 2.438 178.212 175.900 -0.210 0.000 1.137 1428 Y CA 1.579 59.577 58.100 -0.170 0.000 1.181 1428 Y CB -0.465 38.016 38.460 0.035 0.000 0.989 1428 Y HN 0.159 nan 8.280 nan 0.000 0.527 1429 I N -1.235 119.301 120.570 -0.058 0.000 2.202 1429 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 1429 I C 2.207 178.149 176.117 -0.290 0.000 1.091 1429 I CA 0.903 62.140 61.300 -0.106 0.000 1.368 1429 I CB -0.414 37.498 38.000 -0.146 0.000 1.058 1429 I HN 0.181 nan 8.210 nan 0.000 0.410 1430 L N 1.262 122.179 121.223 -0.510 0.000 2.083 1430 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 1430 L C 2.427 179.019 176.870 -0.462 0.000 1.083 1430 L CA 1.860 56.297 54.840 -0.672 0.000 0.752 1430 L CB -0.842 40.789 42.059 -0.715 0.000 0.899 1430 L HN 0.116 nan 8.230 nan 0.000 0.433 1431 K N -0.613 119.518 120.400 -0.448 0.000 2.057 1431 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 1431 K C 2.123 178.656 176.600 -0.112 0.000 1.049 1431 K CA 1.816 57.909 56.287 -0.323 0.000 0.931 1431 K CB -0.124 32.083 32.500 -0.489 0.000 0.714 1431 K HN 0.484 nan 8.250 nan 0.000 0.440 1432 E N 0.420 120.583 120.200 -0.062 0.000 2.152 1432 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 1432 E C 2.036 178.716 176.600 0.133 0.000 0.983 1432 E CA 0.505 56.946 56.400 0.068 0.000 0.818 1432 E CB 0.068 29.831 29.700 0.105 0.000 0.758 1432 E HN 0.305 nan 8.360 nan 0.000 0.467 1433 L N 0.574 121.782 121.223 -0.026 0.000 2.027 1433 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 1433 L C 2.463 179.343 176.870 0.016 0.000 1.074 1433 L CA 0.965 55.686 54.840 -0.198 0.000 0.745 1433 L CB -0.249 41.349 42.059 -0.769 0.000 0.898 1433 L HN 0.245 nan 8.230 nan 0.000 0.433 1434 I N -0.020 120.561 120.570 0.018 0.000 2.163 1434 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 1434 I C 2.473 178.684 176.117 0.157 0.000 1.081 1434 I CA 1.583 62.998 61.300 0.192 0.000 1.353 1434 I CB -0.335 37.775 38.000 0.183 0.000 1.054 1434 I HN 0.396 nan 8.210 nan 0.000 0.407 1435 E N -0.483 119.785 120.200 0.113 0.000 2.427 1435 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 1435 E C 1.492 178.146 176.600 0.091 0.000 1.028 1435 E CA 0.834 57.292 56.400 0.097 0.000 0.864 1435 E CB -0.212 29.537 29.700 0.082 0.000 0.813 1435 E HN 0.224 nan 8.360 nan 0.000 0.514 1436 T N 0.890 115.511 114.554 0.112 0.000 3.086 1436 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 1436 T C 0.142 174.912 174.700 0.116 0.000 1.074 1436 T CA 0.221 62.391 62.100 0.117 0.000 0.988 1436 T CB 0.264 69.233 68.868 0.168 0.000 0.988 1436 T HN 0.277 nan 8.240 nan 0.000 0.530 1437 S N 0.508 116.279 115.700 0.118 0.000 2.454 1437 S HA 0.446 4.916 4.470 -0.000 0.000 0.306 1437 S C -0.254 174.378 174.600 0.054 0.000 1.100 1437 S CA -0.843 57.414 58.200 0.095 0.000 1.087 1437 S CB 1.623 64.900 63.200 0.128 0.000 1.019 1437 S HN -0.042 nan 8.310 nan 0.000 0.480 1438 D N 1.822 122.241 120.400 0.031 0.000 2.328 1438 D HA 0.121 4.761 4.640 -0.000 0.000 0.221 1438 D C 1.111 177.407 176.300 -0.007 0.000 1.072 1438 D CA 0.271 54.280 54.000 0.015 0.000 0.850 1438 D CB 0.219 41.027 40.800 0.013 0.000 0.922 1438 D HN 0.660 nan 8.370 nan 0.000 0.516 1439 S N -0.475 115.210 115.700 -0.025 0.000 2.647 1439 S HA 0.184 4.654 4.470 -0.000 0.000 0.284 1439 S C 1.033 175.586 174.600 -0.078 0.000 1.134 1439 S CA -0.622 57.541 58.200 -0.062 0.000 1.027 1439 S CB 1.351 64.491 63.200 -0.099 0.000 1.180 1439 S HN -0.276 nan 8.310 nan 0.000 0.521 1440 D N 1.111 121.443 120.400 -0.114 0.000 2.087 1440 D HA -0.060 4.580 4.640 -0.000 0.000 0.192 1440 D C 0.514 176.750 176.300 -0.108 0.000 0.993 1440 D CA 1.797 55.733 54.000 -0.106 0.000 0.828 1440 D CB -0.581 40.141 40.800 -0.130 0.000 0.968 1440 D HN 0.638 nan 8.370 nan 0.000 0.448 1441 N N -1.837 116.737 118.700 -0.209 0.000 2.965 1441 N HA -0.216 4.524 4.740 -0.000 0.000 0.232 1441 N C 1.221 176.676 175.510 -0.091 0.000 0.913 1441 N CA 1.119 54.057 53.050 -0.187 0.000 0.981 1441 N CB -1.584 36.916 38.487 0.021 0.000 1.077 1441 N HN 0.291 nan 8.380 nan 0.000 0.589 1442 S N -0.424 115.213 115.700 -0.105 0.000 2.374 1442 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 1442 S C 1.870 176.459 174.600 -0.018 0.000 1.037 1442 S CA 1.904 60.080 58.200 -0.039 0.000 1.024 1442 S CB -0.558 62.605 63.200 -0.062 0.000 0.861 1442 S HN 0.181 nan 8.310 nan 0.000 0.456 1443 V N 0.866 120.704 119.914 -0.126 0.000 2.307 1443 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 1443 V C 2.426 178.631 176.094 0.185 0.000 1.045 1443 V CA 1.677 63.940 62.300 -0.062 0.000 1.024 1443 V CB -1.047 30.607 31.823 -0.280 0.000 0.651 1443 V HN 0.417 nan 8.190 nan 0.000 0.449 1444 F N 1.376 121.354 119.950 0.046 0.000 2.161 1444 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 1444 F C 2.219 178.069 175.800 0.084 0.000 1.089 1444 F CA 1.417 59.475 58.000 0.098 0.000 1.282 1444 F CB -1.634 37.394 39.000 0.047 0.000 1.010 1444 F HN 0.318 nan 8.300 nan 0.000 0.485 1445 N N 0.155 119.032 118.700 0.295 0.000 2.120 1445 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 1445 N C 1.670 177.327 175.510 0.244 0.000 1.024 1445 N CA 1.178 54.389 53.050 0.269 0.000 0.852 1445 N CB -0.148 38.484 38.487 0.241 0.000 1.003 1445 N HN 0.288 nan 8.380 nan 0.000 0.424 1446 K N 0.802 121.329 120.400 0.211 0.000 2.097 1446 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 1446 K C 1.657 178.407 176.600 0.251 0.000 1.050 1446 K CA 0.825 57.240 56.287 0.213 0.000 0.938 1446 K CB 0.058 32.661 32.500 0.171 0.000 0.718 1446 K HN 0.157 nan 8.250 nan 0.000 0.442 1447 E N 0.929 121.274 120.200 0.241 0.000 2.051 1447 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 1447 E C 1.984 178.746 176.600 0.270 0.000 0.991 1447 E CA 1.241 57.796 56.400 0.259 0.000 0.799 1447 E CB -0.226 29.668 29.700 0.323 0.000 0.748 1447 E HN 0.208 nan 8.360 nan 0.000 0.449 1448 M N 0.806 120.492 119.600 0.142 0.000 2.159 1448 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 1448 M C 1.985 178.364 176.300 0.131 0.000 1.063 1448 M CA 1.606 56.904 55.300 -0.003 0.000 1.110 1448 M CB -0.585 31.807 32.600 -0.347 0.000 1.374 1448 M HN -0.042 nan 8.290 nan 0.000 0.411 1449 T N -0.835 113.866 114.554 0.244 0.000 2.708 1449 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 1449 T C 1.217 176.154 174.700 0.396 0.000 1.037 1449 T CA 1.812 64.114 62.100 0.335 0.000 1.146 1449 T CB -0.722 68.346 68.868 0.333 0.000 0.865 1449 T HN 0.741 nan 8.240 nan 0.000 0.435 1450 W N 1.542 122.960 121.300 0.197 0.000 2.358 1450 W HA -0.097 4.563 4.660 0.000 0.000 0.303 1450 W C 1.959 178.606 176.519 0.213 0.000 1.208 1450 W CA 0.657 58.116 57.345 0.189 0.000 1.274 1450 W CB -0.545 28.994 29.460 0.131 0.000 1.138 1450 W HN 0.148 nan 8.180 nan 0.000 0.515 1451 L N 1.078 122.610 121.223 0.515 0.000 1.989 1451 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 1451 L C 2.265 179.257 176.870 0.204 0.000 1.071 1451 L CA 2.205 57.262 54.840 0.362 0.000 0.749 1451 L CB -1.096 41.145 42.059 0.302 0.000 0.890 1451 L HN 0.135 nan 8.230 nan 0.000 0.431 1452 I N -1.260 119.431 120.570 0.201 0.000 2.226 1452 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 1452 I C 2.341 178.460 176.117 0.004 0.000 1.100 1452 I CA 1.437 62.821 61.300 0.140 0.000 1.374 1452 I CB -0.497 37.591 38.000 0.147 0.000 1.057 1452 I HN 0.389 nan 8.210 nan 0.000 0.413 1453 H N -0.001 119.059 119.070 -0.016 0.000 2.389 1453 H HA -0.191 4.365 4.556 -0.000 0.000 0.299 1453 H C 2.174 177.417 175.328 -0.140 0.000 1.081 1453 H CA 1.565 57.570 56.048 -0.073 0.000 1.345 1453 H CB 0.096 29.786 29.762 -0.121 0.000 1.393 1453 H HN 0.215 nan 8.280 nan 0.000 0.520 1454 E N -0.164 119.900 120.200 -0.227 0.000 2.077 1454 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 1454 E C 1.826 178.377 176.600 -0.082 0.000 0.989 1454 E CA 1.049 57.280 56.400 -0.281 0.000 0.800 1454 E CB -0.234 29.062 29.700 -0.674 0.000 0.746 1454 E HN 0.474 nan 8.360 nan 0.000 0.452 1455 W N 0.214 121.296 121.300 -0.363 0.000 2.355 1455 W HA -0.227 4.433 4.660 -0.000 0.000 0.309 1455 W C 1.991 177.957 176.519 -0.921 0.000 1.206 1455 W CA 1.561 58.347 57.345 -0.931 0.000 1.284 1455 W CB -1.327 27.409 29.460 -1.206 0.000 1.145 1455 W HN 0.241 nan 8.180 nan 0.000 0.502 1456 Y N 2.270 122.277 120.300 -0.487 0.000 2.053 1456 Y HA -0.336 4.214 4.550 -0.000 0.000 0.277 1456 Y C 2.692 178.541 175.900 -0.084 0.000 1.159 1456 Y CA 3.645 61.675 58.100 -0.117 0.000 1.125 1456 Y CB -0.711 37.773 38.460 0.039 0.000 0.969 1456 Y HN 0.053 nan 8.280 nan 0.000 0.492 1457 K N -1.094 119.343 120.400 0.062 0.000 2.504 1457 K HA 0.013 4.333 4.320 -0.000 0.000 0.195 1457 K C 1.443 177.989 176.600 -0.089 0.000 1.036 1457 K CA 1.415 57.705 56.287 0.005 0.000 0.984 1457 K CB -0.055 32.516 32.500 0.118 0.000 0.788 1457 K HN 0.179 nan 8.250 nan 0.000 0.488 1458 S N 0.238 115.843 115.700 -0.159 0.000 2.497 1458 S HA 0.009 4.479 4.470 -0.000 0.000 0.218 1458 S C -0.417 174.023 174.600 -0.267 0.000 1.023 1458 S CA -0.045 58.081 58.200 -0.123 0.000 0.913 1458 S CB 0.313 63.481 63.200 -0.053 0.000 0.800 1458 S HN 0.396 nan 8.310 nan 0.000 0.505 1459 D N 0.887 120.996 120.400 -0.485 0.000 2.421 1459 D HA 0.247 4.887 4.640 -0.000 0.000 0.254 1459 D C 0.723 176.787 176.300 -0.394 0.000 1.238 1459 D CA -0.458 53.143 54.000 -0.664 0.000 0.919 1459 D CB 0.803 40.897 40.800 -1.176 0.000 1.152 1459 D HN -0.056 nan 8.370 nan 0.000 0.552 1460 R N 3.725 124.056 120.500 -0.282 0.000 2.105 1460 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 1460 R C 1.587 177.754 176.300 -0.222 0.000 1.135 1460 R CA 1.468 57.429 56.100 -0.232 0.000 0.967 1460 R CB 0.105 30.316 30.300 -0.150 0.000 0.861 1460 R HN 0.289 nan 8.270 nan 0.000 0.442 1461 K N -0.506 119.775 120.400 -0.198 0.000 2.360 1461 K HA -0.171 4.149 4.320 -0.000 0.000 0.201 1461 K C 1.495 177.946 176.600 -0.249 0.000 1.046 1461 K CA 1.253 57.435 56.287 -0.174 0.000 0.945 1461 K CB -0.119 32.321 32.500 -0.101 0.000 0.750 1461 K HN 0.309 nan 8.250 nan 0.000 0.464 1462 F N 0.484 120.139 119.950 -0.493 0.000 2.656 1462 F HA 0.190 4.717 4.527 -0.000 0.000 0.291 1462 F C 1.781 177.252 175.800 -0.548 0.000 1.122 1462 F CA -0.014 57.591 58.000 -0.659 0.000 1.427 1462 F CB 0.332 38.751 39.000 -0.968 0.000 1.125 1462 F HN -0.133 nan 8.300 nan 0.000 0.583 1463 R N 0.192 120.472 120.500 -0.366 0.000 2.093 1463 R HA -0.084 4.256 4.340 -0.000 0.000 0.224 1463 R C 1.117 177.248 176.300 -0.281 0.000 1.101 1463 R CA 1.292 57.145 56.100 -0.412 0.000 0.979 1463 R CB -0.529 29.438 30.300 -0.556 0.000 0.877 1463 R HN 0.182 nan 8.270 nan 0.000 0.441 1464 D N 0.849 121.088 120.400 -0.268 0.000 2.411 1464 D HA -0.125 4.515 4.640 -0.000 0.000 0.226 1464 D C 1.589 177.745 176.300 -0.240 0.000 0.988 1464 D CA 0.929 54.808 54.000 -0.203 0.000 0.938 1464 D CB 0.032 40.731 40.800 -0.167 0.000 0.883 1464 D HN 0.492 nan 8.370 nan 0.000 0.525 1465 I N -4.052 116.277 120.570 -0.402 0.000 4.124 1465 I HA 0.247 4.417 4.170 -0.000 0.000 0.311 1465 I C 0.262 176.140 176.117 -0.399 0.000 1.259 1465 I CA -0.014 60.971 61.300 -0.526 0.000 1.315 1465 I CB 0.838 38.159 38.000 -1.131 0.000 1.223 1465 I HN -0.295 nan 8.210 nan 0.000 0.441 1466 I N 1.879 122.214 120.570 -0.392 0.000 2.619 1466 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 1466 I C -0.022 176.083 176.117 -0.021 0.000 1.100 1466 I CA -0.787 60.371 61.300 -0.236 0.000 1.043 1466 I CB 2.405 40.175 38.000 -0.384 0.000 1.239 1466 I HN 0.208 nan 8.210 nan 0.000 0.420 1467 S N 4.193 119.887 115.700 -0.010 0.000 2.632 1467 S HA 0.151 4.621 4.470 -0.000 0.000 0.267 1467 S C 0.968 175.582 174.600 0.024 0.000 1.276 1467 S CA -0.177 58.063 58.200 0.066 0.000 0.998 1467 S CB 0.764 63.986 63.200 0.036 0.000 0.953 1467 S HN 0.679 nan 8.310 nan 0.000 0.547 1468 Y N 2.323 122.627 120.300 0.007 0.000 2.256 1468 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 1468 Y C 1.889 177.643 175.900 -0.244 0.000 1.155 1468 Y CA 2.266 60.294 58.100 -0.120 0.000 1.203 1468 Y CB -0.500 37.969 38.460 0.016 0.000 0.980 1468 Y HN 0.699 nan 8.280 nan 0.000 0.530 1469 N N 0.150 118.712 118.700 -0.229 0.000 2.207 1469 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 1469 N C 0.858 176.059 175.510 -0.516 0.000 1.020 1469 N CA 1.459 54.267 53.050 -0.403 0.000 0.858 1469 N CB -0.470 37.965 38.487 -0.087 0.000 0.991 1469 N HN 0.392 nan 8.380 nan 0.000 0.427 1470 D N 0.287 120.564 120.400 -0.205 0.000 2.371 1470 D HA -0.003 4.637 4.640 -0.000 0.000 0.234 1470 D C 1.318 177.487 176.300 -0.218 0.000 1.049 1470 D CA 0.171 54.127 54.000 -0.073 0.000 0.907 1470 D CB 0.158 40.932 40.800 -0.044 0.000 0.891 1470 D HN 0.257 nan 8.370 nan 0.000 0.531 1471 I N -0.457 119.842 120.570 -0.451 0.000 4.197 1471 I HA 0.089 4.259 4.170 -0.000 0.000 0.307 1471 I C 1.600 177.458 176.117 -0.432 0.000 1.236 1471 I CA -0.012 60.964 61.300 -0.540 0.000 1.321 1471 I CB 0.227 37.668 38.000 -0.932 0.000 1.309 1471 I HN -0.072 nan 8.210 nan 0.000 0.450 1472 I N -1.192 119.040 120.570 -0.563 0.000 2.756 1472 I HA -0.156 4.013 4.170 -0.000 0.000 0.262 1472 I C 1.985 177.959 176.117 -0.239 0.000 1.225 1472 I CA 1.255 62.313 61.300 -0.403 0.000 1.472 1472 I CB -0.938 36.679 38.000 -0.640 0.000 1.094 1472 I HN 0.181 nan 8.210 nan 0.000 0.454 1473 H N 1.702 120.703 119.070 -0.115 0.000 2.363 1473 H HA 0.123 4.678 4.556 -0.000 0.000 0.301 1473 H C 1.030 176.356 175.328 -0.004 0.000 1.074 1473 H CA 0.487 56.499 56.048 -0.060 0.000 1.354 1473 H CB -0.304 29.415 29.762 -0.072 0.000 1.397 1473 H HN 0.299 nan 8.280 nan 0.000 0.516 1474 L N 3.266 124.563 121.223 0.123 0.000 2.704 1474 L HA -0.033 4.307 4.340 -0.000 0.000 0.279 1474 L C 1.010 178.020 176.870 0.234 0.000 1.147 1474 L CA 0.438 55.365 54.840 0.146 0.000 0.994 1474 L CB 0.044 42.160 42.059 0.095 0.000 1.332 1474 L HN 0.016 nan 8.230 nan 0.000 0.471 1475 K N 2.780 123.277 120.400 0.162 0.000 2.276 1475 K HA 0.223 4.543 4.320 -0.000 0.000 0.198 1475 K C -0.099 176.590 176.600 0.148 0.000 1.052 1475 K CA 0.412 56.781 56.287 0.136 0.000 0.984 1475 K CB 0.524 33.075 32.500 0.085 0.000 0.836 1475 K HN 0.550 nan 8.250 nan 0.000 0.490 1476 E N 0.363 120.650 120.200 0.145 0.000 2.278 1476 E HA 0.118 4.468 4.350 -0.000 0.000 0.272 1476 E C -1.826 174.881 176.600 0.179 0.000 0.890 1476 E CA -0.672 55.826 56.400 0.164 0.000 0.770 1476 E CB 1.812 31.581 29.700 0.115 0.000 1.212 1476 E HN -0.005 nan 8.360 nan 0.000 0.415 1477 Y N 3.214 123.583 120.300 0.114 0.000 2.497 1477 Y HA 0.152 4.702 4.550 -0.000 0.000 0.334 1477 Y C -0.527 175.422 175.900 0.082 0.000 1.199 1477 Y CA 0.693 58.857 58.100 0.107 0.000 1.425 1477 Y CB 0.553 39.090 38.460 0.129 0.000 1.291 1477 Y HN 0.327 nan 8.280 nan 0.000 0.562 1478 K N 6.283 126.220 120.400 -0.772 0.000 2.508 1478 K HA 0.307 4.627 4.320 -0.000 0.000 0.260 1478 K C 0.471 176.535 176.600 -0.893 0.000 0.949 1478 K CA -0.747 55.170 56.287 -0.615 0.000 0.834 1478 K CB 1.989 34.339 32.500 -0.250 0.000 1.365 1478 K HN 0.694 nan 8.250 nan 0.000 0.437 1479 I N 1.286 121.581 120.570 -0.458 0.000 2.315 1479 I HA -0.327 3.843 4.170 -0.000 0.000 0.251 1479 I C 1.556 177.577 176.117 -0.160 0.000 1.125 1479 I CA 1.561 62.729 61.300 -0.221 0.000 1.392 1479 I CB -0.326 37.655 38.000 -0.031 0.000 1.065 1479 I HN 0.700 nan 8.210 nan 0.000 0.424 1480 D N 0.025 120.328 120.400 -0.162 0.000 2.249 1480 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 1480 D C 1.430 177.664 176.300 -0.110 0.000 0.962 1480 D CA 0.694 54.634 54.000 -0.099 0.000 0.860 1480 D CB -0.780 39.975 40.800 -0.073 0.000 0.955 1480 D HN 0.274 nan 8.370 nan 0.000 0.505 1481 N N 0.812 119.403 118.700 -0.182 0.000 2.550 1481 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 1481 N C -0.032 175.433 175.510 -0.075 0.000 1.110 1481 N CA 0.362 53.333 53.050 -0.132 0.000 0.912 1481 N CB -0.203 38.196 38.487 -0.148 0.000 0.968 1481 N HN 0.161 nan 8.380 nan 0.000 0.448 1482 D N 0.738 121.090 120.400 -0.080 0.000 2.349 1482 D HA 0.025 4.665 4.640 -0.000 0.000 0.266 1482 D C -1.623 174.742 176.300 0.109 0.000 1.293 1482 D CA -1.809 52.268 54.000 0.128 0.000 0.926 1482 D CB 1.104 42.049 40.800 0.242 0.000 1.090 1482 D HN 0.120 nan 8.370 nan 0.000 0.502 1483 P HA -0.036 nan 4.420 nan 0.000 0.217 1483 P C 1.750 179.039 177.300 -0.018 0.000 1.151 1483 P CA 0.614 63.719 63.100 0.010 0.000 0.828 1483 P CB 0.342 32.020 31.700 -0.037 0.000 0.788 1484 I N -0.436 120.124 120.570 -0.018 0.000 2.286 1484 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 1484 I C 2.503 178.666 176.117 0.077 0.000 1.115 1484 I CA 1.437 62.684 61.300 -0.089 0.000 1.392 1484 I CB -0.539 37.302 38.000 -0.264 0.000 1.065 1484 I HN -0.023 nan 8.210 nan 0.000 0.418 1485 E N 1.810 122.099 120.200 0.148 0.000 2.017 1485 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 1485 E C 2.112 178.766 176.600 0.090 0.000 0.997 1485 E CA 1.793 58.284 56.400 0.151 0.000 0.804 1485 E CB -0.170 29.621 29.700 0.152 0.000 0.757 1485 E HN 0.257 nan 8.360 nan 0.000 0.448 1486 K N -0.861 119.577 120.400 0.062 0.000 2.001 1486 K HA -0.284 4.036 4.320 -0.000 0.000 0.214 1486 K C 2.374 178.988 176.600 0.023 0.000 1.050 1486 K CA 1.873 58.177 56.287 0.028 0.000 0.934 1486 K CB -0.687 31.822 32.500 0.015 0.000 0.718 1486 K HN 0.310 nan 8.250 nan 0.000 0.443 1487 Y N 1.066 121.316 120.300 -0.084 0.000 2.151 1487 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 1487 Y C 1.793 177.649 175.900 -0.073 0.000 1.166 1487 Y CA 1.802 59.836 58.100 -0.109 0.000 1.163 1487 Y CB -0.249 38.097 38.460 -0.191 0.000 0.974 1487 Y HN -0.077 nan 8.280 nan 0.000 0.511 1488 V N 0.662 120.571 119.914 -0.009 0.000 2.548 1488 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 1488 V C 1.890 177.922 176.094 -0.104 0.000 1.055 1488 V CA 1.992 64.255 62.300 -0.062 0.000 1.065 1488 V CB -0.492 31.398 31.823 0.112 0.000 0.681 1488 V HN 0.313 nan 8.190 nan 0.000 0.462 1489 K N 0.191 120.550 120.400 -0.067 0.000 2.589 1489 K HA -0.004 4.316 4.320 -0.000 0.000 0.192 1489 K C 1.069 177.607 176.600 -0.104 0.000 1.029 1489 K CA 0.359 56.611 56.287 -0.059 0.000 1.031 1489 K CB 0.006 32.490 32.500 -0.026 0.000 0.821 1489 K HN 0.401 nan 8.250 nan 0.000 0.502 1490 N N -1.542 117.045 118.700 -0.190 0.000 2.428 1490 N HA 0.052 4.792 4.740 -0.000 0.000 0.249 1490 N C 0.588 175.935 175.510 -0.272 0.000 1.092 1490 N CA 0.457 53.383 53.050 -0.207 0.000 0.833 1490 N CB 0.966 39.330 38.487 -0.205 0.000 1.575 1490 N HN -0.134 nan 8.380 nan 0.000 0.476 1491 S N -0.261 115.161 115.700 -0.463 0.000 2.603 1491 S HA 0.539 5.009 4.470 -0.000 0.000 0.232 1491 S C 0.636 175.055 174.600 -0.300 0.000 1.016 1491 S CA 0.092 58.018 58.200 -0.456 0.000 0.976 1491 S CB 1.832 64.550 63.200 -0.802 0.000 0.921 1491 S HN 0.596 nan 8.310 nan 0.000 0.516 1492 G N 3.115 111.775 108.800 -0.234 0.000 2.592 1492 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.684 1492 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.684 1492 G C -0.384 174.506 174.900 -0.018 0.000 1.291 1492 G CA -0.363 44.682 45.100 -0.091 0.000 0.891 1492 G HN 0.376 nan 8.290 nan 0.000 0.544 1493 N N -0.154 118.578 118.700 0.053 0.000 2.279 1493 N HA 0.079 4.819 4.740 -0.000 0.000 0.226 1493 N C 0.259 175.862 175.510 0.154 0.000 1.126 1493 N CA -0.033 53.096 53.050 0.132 0.000 0.846 1493 N CB 0.372 38.936 38.487 0.129 0.000 1.050 1493 N HN 0.558 nan 8.380 nan 0.000 0.502 1494 N N 1.420 120.200 118.700 0.133 0.000 2.521 1494 N HA 0.128 4.868 4.740 -0.000 0.000 0.236 1494 N C 0.145 175.748 175.510 0.156 0.000 1.067 1494 N CA -0.247 52.881 53.050 0.129 0.000 0.939 1494 N CB 0.361 38.901 38.487 0.089 0.000 1.201 1494 N HN 0.269 nan 8.380 nan 0.000 0.511 1495 L N 2.066 123.382 121.223 0.156 0.000 2.591 1495 L HA 0.285 4.625 4.340 -0.000 0.000 0.228 1495 L C 1.315 178.241 176.870 0.095 0.000 1.133 1495 L CA 0.043 54.939 54.840 0.093 0.000 0.880 1495 L CB -0.848 41.281 42.059 0.117 0.000 1.033 1495 L HN 0.681 nan 8.230 nan 0.000 0.450 1496 G N 1.288 110.155 108.800 0.112 0.000 2.698 1496 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.225 1496 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.225 1496 G C -0.199 174.786 174.900 0.143 0.000 1.345 1496 G CA -0.274 44.891 45.100 0.109 0.000 0.871 1496 G HN 0.245 nan 8.290 nan 0.000 0.540 1497 I N -1.648 119.005 120.570 0.139 0.000 3.004 1497 I HA 0.510 4.680 4.170 -0.000 0.000 0.287 1497 I C 1.261 177.482 176.117 0.173 0.000 1.144 1497 I CA -0.912 60.477 61.300 0.148 0.000 1.353 1497 I CB 0.198 38.282 38.000 0.140 0.000 1.417 1497 I HN 0.711 nan 8.210 nan 0.000 0.602 1498 C N 4.037 123.419 119.300 0.137 0.000 2.538 1498 C HA 0.071 4.530 4.460 -0.000 0.000 0.408 1498 C C 0.160 175.132 174.990 -0.030 0.000 1.421 1498 C CA -0.162 58.856 59.018 0.001 0.000 1.642 1498 C CB -1.691 25.985 27.740 -0.107 0.000 2.553 1498 C HN 0.590 nan 8.230 nan 0.000 0.604 1499 F N 4.081 123.894 119.950 -0.228 0.000 2.411 1499 F HA 0.599 5.126 4.527 -0.000 0.000 0.352 1499 F C -0.413 175.207 175.800 -0.301 0.000 1.123 1499 F CA -0.642 57.256 58.000 -0.169 0.000 1.044 1499 F CB 0.241 39.205 39.000 -0.060 0.000 1.135 1499 F HN 0.617 nan 8.300 nan 0.000 0.461 1500 Y N 3.823 123.710 120.300 -0.690 0.000 2.534 1500 Y HA 0.361 4.911 4.550 -0.000 0.000 0.329 1500 Y C 0.072 175.549 175.900 -0.706 0.000 1.154 1500 Y CA -1.045 56.775 58.100 -0.467 0.000 1.192 1500 Y CB 0.922 39.236 38.460 -0.243 0.000 1.275 1500 Y HN 0.475 nan 8.280 nan 0.000 0.491 1501 K N 1.262 121.655 120.400 -0.012 0.000 2.326 1501 K HA 0.360 4.680 4.320 -0.000 0.000 0.275 1501 K C 0.174 176.762 176.600 -0.020 0.000 1.018 1501 K CA 0.022 56.349 56.287 0.065 0.000 0.962 1501 K CB 0.496 33.093 32.500 0.161 0.000 0.953 1501 K HN 0.858 nan 8.250 nan 0.000 0.475 1502 E N 0.000 120.203 120.200 0.004 0.000 2.725 1502 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1502 E CA 0.000 56.405 56.400 0.008 0.000 0.976 1502 E CB 0.000 29.727 29.700 0.046 0.000 0.812 1502 E HN 0.000 nan 8.360 nan 0.000 0.440