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 1ynn_1_J DATA FIRST_RESID 1253 DATA SEQUENCE TQGLPRVIEL FEARRPKAKA VISEIDGVVR IEEGEDRLSV FVESEGFSKE DATA SEQUENCE YKLPKDARLL VKDGDYVEAG QPLTRGAIDP HQLLEAKGPE AVERYLVDEI DATA SEQUENCE QKVYRAQGVK LHDKHIEIVV RQMLKYVEVT DPGDSRLLEG QVLEKWDVEA DATA SEQUENCE LNERLIAEGK VPVAWKPLLM GVTKSALSTK SWLSAASFQN TTHVLTEAAI DATA SEQUENCE AGKKDELIGL KENVILGRLI PAGTGSDFVR FTQVVDQRTL KAIEEARKE 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 1253 T HA 0.000 nan 4.350 nan 0.000 0.228 1253 T C 0.000 174.696 174.700 -0.007 0.000 1.109 1253 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 1253 T CB 0.000 68.871 68.868 0.004 0.000 0.612 1254 Q N 1.661 121.452 119.800 -0.015 0.000 2.943 1254 Q HA 0.862 5.202 4.340 -0.000 0.000 0.341 1254 Q C 0.861 176.836 176.000 -0.041 0.000 0.858 1254 Q CA -0.371 55.415 55.803 -0.028 0.000 0.804 1254 Q CB -0.064 28.658 28.738 -0.026 0.000 1.399 1254 Q HN 1.626 nan 8.270 nan 0.000 0.511 1255 G N 0.237 109.001 108.800 -0.061 0.000 2.574 1255 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.282 1255 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.282 1255 G C 0.360 175.199 174.900 -0.101 0.000 1.257 1255 G CA 0.465 45.516 45.100 -0.083 0.000 0.956 1255 G HN 0.830 nan 8.290 nan 0.000 0.560 1256 L N 2.240 123.409 121.223 -0.089 0.000 2.156 1256 L HA 0.178 4.518 4.340 -0.000 0.000 0.208 1256 L C 0.481 177.328 176.870 -0.039 0.000 1.095 1256 L CA 2.692 57.483 54.840 -0.082 0.000 0.770 1256 L CB -1.301 40.718 42.059 -0.066 0.000 0.914 1256 L HN 0.406 nan 8.230 nan 0.000 0.439 1257 P HA -0.213 nan 4.420 nan 0.000 0.215 1257 P C 1.623 178.926 177.300 0.005 0.000 1.157 1257 P CA 1.467 64.564 63.100 -0.005 0.000 0.874 1257 P CB -0.160 31.537 31.700 -0.006 0.000 0.790 1258 R N -0.197 120.298 120.500 -0.009 0.000 2.081 1258 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 1258 R C 2.027 178.340 176.300 0.022 0.000 1.131 1258 R CA 1.313 57.411 56.100 -0.003 0.000 0.960 1258 R CB -1.079 29.206 30.300 -0.025 0.000 0.856 1258 R HN 0.085 nan 8.270 nan 0.000 0.436 1259 V N 1.649 121.576 119.914 0.022 0.000 2.287 1259 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 1259 V C 2.441 178.692 176.094 0.262 0.000 1.053 1259 V CA 1.515 63.897 62.300 0.136 0.000 1.027 1259 V CB -0.430 31.433 31.823 0.067 0.000 0.646 1259 V HN 0.224 nan 8.190 nan 0.000 0.447 1260 I N -0.092 120.563 120.570 0.141 0.000 2.142 1260 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 1260 I C 2.520 178.726 176.117 0.148 0.000 1.078 1260 I CA 1.483 62.868 61.300 0.142 0.000 1.343 1260 I CB -1.441 36.598 38.000 0.066 0.000 1.046 1260 I HN 0.451 nan 8.210 nan 0.000 0.405 1261 E N 0.214 120.468 120.200 0.090 0.000 2.187 1261 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 1261 E C 2.135 178.771 176.600 0.060 0.000 1.004 1261 E CA 1.245 57.684 56.400 0.066 0.000 0.813 1261 E CB 0.100 29.826 29.700 0.042 0.000 0.736 1261 E HN 0.209 nan 8.360 nan 0.000 0.468 1262 L N -0.787 120.467 121.223 0.052 0.000 2.084 1262 L HA -0.039 4.301 4.340 -0.000 0.000 0.202 1262 L C 1.960 178.791 176.870 -0.064 0.000 1.074 1262 L CA 1.377 56.190 54.840 -0.046 0.000 0.757 1262 L CB -1.024 40.943 42.059 -0.153 0.000 0.918 1262 L HN 0.136 nan 8.230 nan 0.000 0.444 1263 F N 0.314 120.270 119.950 0.010 0.000 2.075 1263 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 1263 F C 2.509 178.320 175.800 0.017 0.000 1.113 1263 F CA 1.331 59.341 58.000 0.016 0.000 1.218 1263 F CB -0.328 38.689 39.000 0.027 0.000 0.984 1263 F HN 0.071 nan 8.300 nan 0.000 0.472 1264 E N 0.515 120.847 120.200 0.220 0.000 2.331 1264 E HA -0.018 4.332 4.350 -0.000 0.000 0.199 1264 E C 0.633 177.287 176.600 0.089 0.000 1.008 1264 E CA 0.704 57.183 56.400 0.132 0.000 0.843 1264 E CB -0.594 29.170 29.700 0.107 0.000 0.761 1264 E HN 0.280 nan 8.360 nan 0.000 0.507 1265 A N 0.768 123.623 122.820 0.058 0.000 2.360 1265 A HA -0.256 4.064 4.320 -0.000 0.000 0.289 1265 A C -0.208 177.401 177.584 0.040 0.000 1.437 1265 A CA 1.102 53.137 52.037 -0.003 0.000 0.734 1265 A CB -1.362 17.599 19.000 -0.066 0.000 1.145 1265 A HN 0.129 nan 8.150 nan 0.000 0.374 1266 R N -0.811 119.731 120.500 0.070 0.000 2.854 1266 R HA 0.756 5.096 4.340 -0.000 0.000 0.271 1266 R C 0.544 176.908 176.300 0.106 0.000 0.996 1266 R CA -0.311 55.855 56.100 0.110 0.000 0.961 1266 R CB 1.006 31.355 30.300 0.082 0.000 1.182 1266 R HN 1.045 nan 8.270 nan 0.000 0.479 1267 R N 2.771 123.342 120.500 0.119 0.000 2.483 1267 R HA 0.117 4.457 4.340 -0.000 0.000 0.329 1267 R C -2.003 174.331 176.300 0.058 0.000 0.961 1267 R CA -0.767 55.384 56.100 0.085 0.000 1.041 1267 R CB -1.408 28.930 30.300 0.064 0.000 0.930 1267 R HN 0.408 nan 8.270 nan 0.000 0.413 1268 P HA 0.189 nan 4.420 nan 0.000 0.275 1268 P C -0.851 176.467 177.300 0.031 0.000 1.266 1268 P CA -0.648 62.478 63.100 0.042 0.000 0.793 1268 P CB 0.704 32.432 31.700 0.047 0.000 1.074 1269 K N 0.509 120.924 120.400 0.025 0.000 2.297 1269 K HA 0.395 4.715 4.320 -0.000 0.000 0.286 1269 K C -0.095 176.515 176.600 0.017 0.000 1.053 1269 K CA 0.099 56.397 56.287 0.019 0.000 0.940 1269 K CB -0.070 32.439 32.500 0.015 0.000 1.019 1269 K HN 0.734 nan 8.250 nan 0.000 0.475 1270 A N 3.686 126.514 122.820 0.013 0.000 2.919 1270 A HA -0.122 4.198 4.320 -0.000 0.000 0.280 1270 A C 0.237 177.825 177.584 0.008 0.000 1.379 1270 A CA 0.465 52.508 52.037 0.009 0.000 0.729 1270 A CB -1.482 17.524 19.000 0.009 0.000 1.084 1270 A HN 0.765 nan 8.150 nan 0.000 0.420 1271 K N 0.843 121.246 120.400 0.005 0.000 2.652 1271 K HA 0.372 4.692 4.320 -0.000 0.000 0.239 1271 K C 0.933 177.522 176.600 -0.018 0.000 1.235 1271 K CA 0.521 56.808 56.287 -0.000 0.000 1.191 1271 K CB -0.567 31.935 32.500 0.003 0.000 1.348 1271 K HN 1.503 nan 8.250 nan 0.000 0.239 1272 A N 1.835 124.642 122.820 -0.021 0.000 2.598 1272 A HA -0.004 4.315 4.320 -0.000 0.000 0.239 1272 A C 0.266 177.803 177.584 -0.078 0.000 1.032 1272 A CA -0.073 51.940 52.037 -0.041 0.000 0.760 1272 A CB 0.085 19.065 19.000 -0.033 0.000 0.946 1272 A HN 0.363 nan 8.150 nan 0.000 0.512 1273 V N 3.533 123.384 119.914 -0.104 0.000 2.715 1273 V HA 0.364 4.484 4.120 -0.000 0.000 0.299 1273 V C 0.245 176.195 176.094 -0.240 0.000 1.054 1273 V CA 0.199 62.389 62.300 -0.184 0.000 1.077 1273 V CB 0.336 32.026 31.823 -0.223 0.000 0.972 1273 V HN 0.744 nan 8.190 nan 0.000 0.484 1274 I N 0.890 121.282 120.570 -0.297 0.000 2.545 1274 I HA 0.570 4.740 4.170 -0.000 0.000 0.292 1274 I C 0.032 175.928 176.117 -0.367 0.000 1.040 1274 I CA -0.499 60.640 61.300 -0.270 0.000 1.068 1274 I CB 1.947 39.836 38.000 -0.185 0.000 1.251 1274 I HN 0.350 nan 8.210 nan 0.000 0.424 1275 S N 2.938 118.462 115.700 -0.293 0.000 2.516 1275 S HA 0.091 4.561 4.470 -0.000 0.000 0.282 1275 S C 1.067 175.631 174.600 -0.060 0.000 1.286 1275 S CA -0.100 57.977 58.200 -0.206 0.000 1.066 1275 S CB 0.365 63.527 63.200 -0.063 0.000 0.884 1275 S HN 0.794 nan 8.310 nan 0.000 0.491 1276 E N 2.260 122.502 120.200 0.069 0.000 2.107 1276 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 1276 E C 0.345 176.959 176.600 0.022 0.000 0.982 1276 E CA 0.727 57.158 56.400 0.053 0.000 0.809 1276 E CB 0.244 30.000 29.700 0.093 0.000 0.756 1276 E HN 0.536 nan 8.360 nan 0.000 0.459 1277 I N 0.728 121.331 120.570 0.056 0.000 3.002 1277 I HA 0.098 4.268 4.170 -0.000 0.000 0.310 1277 I C -1.545 174.626 176.117 0.090 0.000 1.087 1277 I CA -1.141 60.195 61.300 0.060 0.000 1.017 1277 I CB 1.739 39.777 38.000 0.063 0.000 1.226 1277 I HN -0.167 nan 8.210 nan 0.000 0.443 1278 D N 3.927 124.386 120.400 0.098 0.000 2.264 1278 D HA 0.659 5.299 4.640 -0.000 0.000 0.249 1278 D C 0.081 176.458 176.300 0.128 0.000 1.070 1278 D CA -0.316 53.745 54.000 0.102 0.000 0.912 1278 D CB 1.608 42.463 40.800 0.091 0.000 1.193 1278 D HN 0.827 nan 8.370 nan 0.000 0.427 1279 G N -0.221 108.652 108.800 0.121 0.000 2.539 1279 G HA2 0.398 4.358 3.960 -0.000 0.000 0.138 1279 G HA3 0.398 4.358 3.960 -0.000 0.000 0.138 1279 G C -1.447 173.487 174.900 0.057 0.000 1.148 1279 G CA -0.280 44.886 45.100 0.111 0.000 1.057 1279 G HN 0.506 nan 8.290 nan 0.000 0.511 1280 V N -0.049 119.860 119.914 -0.009 0.000 2.919 1280 V HA 0.768 4.888 4.120 -0.000 0.000 0.316 1280 V C -0.012 176.057 176.094 -0.041 0.000 1.077 1280 V CA -0.834 61.383 62.300 -0.138 0.000 0.977 1280 V CB 1.748 33.410 31.823 -0.269 0.000 1.039 1280 V HN 0.594 nan 8.190 nan 0.000 0.441 1281 V N 2.261 122.136 119.914 -0.066 0.000 2.612 1281 V HA 0.594 4.714 4.120 -0.000 0.000 0.301 1281 V C 0.182 176.286 176.094 0.017 0.000 1.046 1281 V CA -0.496 61.812 62.300 0.013 0.000 0.946 1281 V CB 1.551 33.381 31.823 0.012 0.000 1.003 1281 V HN 0.876 nan 8.190 nan 0.000 0.459 1282 R N 3.411 123.964 120.500 0.088 0.000 2.734 1282 R HA 0.486 4.826 4.340 -0.000 0.000 0.242 1282 R C -0.456 175.921 176.300 0.130 0.000 1.617 1282 R CA -0.214 55.924 56.100 0.064 0.000 1.572 1282 R CB 0.799 31.100 30.300 0.002 0.000 1.477 1282 R HN 0.749 nan 8.270 nan 0.000 0.707 1283 I N 0.703 121.334 120.570 0.101 0.000 2.752 1283 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 1283 I C -0.010 176.159 176.117 0.087 0.000 1.188 1283 I CA 0.293 61.660 61.300 0.111 0.000 1.427 1283 I CB 0.735 38.777 38.000 0.070 0.000 1.365 1283 I HN 0.586 nan 8.210 nan 0.000 0.585 1284 E N 4.019 124.286 120.200 0.112 0.000 2.291 1284 E HA 0.547 4.897 4.350 -0.000 0.000 0.276 1284 E C -0.232 176.412 176.600 0.072 0.000 0.896 1284 E CA 0.654 57.100 56.400 0.078 0.000 0.774 1284 E CB 1.417 31.164 29.700 0.078 0.000 1.227 1284 E HN 2.322 nan 8.360 nan 0.000 0.413 1285 E N 1.632 121.858 120.200 0.043 0.000 6.165 1285 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 1285 E C 0.428 177.049 176.600 0.035 0.000 1.399 1285 E CA 0.837 57.258 56.400 0.036 0.000 1.382 1285 E CB -2.125 27.598 29.700 0.039 0.000 0.979 1285 E HN 0.959 nan 8.360 nan 0.000 0.311 1286 G N -0.418 108.398 108.800 0.026 0.000 2.920 1286 G HA2 0.368 4.328 3.960 -0.000 0.000 0.208 1286 G HA3 0.368 4.328 3.960 -0.000 0.000 0.208 1286 G C 1.125 176.036 174.900 0.019 0.000 1.159 1286 G CA 1.867 46.981 45.100 0.023 0.000 0.784 1286 G HN 1.433 nan 8.290 nan 0.000 0.535 1287 E N 0.255 120.466 120.200 0.019 0.000 2.118 1287 E HA 0.203 4.553 4.350 -0.000 0.000 0.203 1287 E C 1.987 178.596 176.600 0.016 0.000 0.958 1287 E CA 1.212 57.621 56.400 0.015 0.000 0.957 1287 E CB -1.112 28.596 29.700 0.013 0.000 1.205 1287 E HN 0.350 nan 8.360 nan 0.000 0.494 1288 D N -0.015 120.395 120.400 0.017 0.000 2.106 1288 D HA 0.244 4.884 4.640 -0.000 0.000 0.194 1288 D C 1.472 177.783 176.300 0.018 0.000 0.988 1288 D CA 3.120 57.130 54.000 0.016 0.000 0.845 1288 D CB -0.444 40.366 40.800 0.017 0.000 0.990 1288 D HN 0.860 nan 8.370 nan 0.000 0.448 1289 R N -1.308 119.206 120.500 0.023 0.000 2.673 1289 R HA 0.726 5.066 4.340 -0.000 0.000 0.281 1289 R C -0.957 175.363 176.300 0.034 0.000 0.991 1289 R CA -0.257 55.858 56.100 0.024 0.000 0.896 1289 R CB 0.865 31.178 30.300 0.022 0.000 1.201 1289 R HN 0.970 nan 8.270 nan 0.000 0.457 1290 L N 1.385 122.628 121.223 0.033 0.000 2.295 1290 L HA 0.867 5.207 4.340 -0.000 0.000 0.285 1290 L C 0.060 176.959 176.870 0.048 0.000 1.035 1290 L CA 0.072 54.937 54.840 0.042 0.000 0.806 1290 L CB 2.296 44.375 42.059 0.034 0.000 1.214 1290 L HN 0.994 nan 8.230 nan 0.000 0.426 1291 S N 3.759 119.504 115.700 0.074 0.000 2.536 1291 S HA 0.741 5.211 4.470 -0.000 0.000 0.271 1291 S C -1.234 173.443 174.600 0.128 0.000 1.134 1291 S CA -0.750 57.494 58.200 0.073 0.000 0.897 1291 S CB 1.692 64.924 63.200 0.053 0.000 1.094 1291 S HN 0.548 nan 8.310 nan 0.000 0.473 1292 V N 3.565 123.538 119.914 0.099 0.000 2.435 1292 V HA 0.578 4.698 4.120 -0.000 0.000 0.290 1292 V C -1.148 175.032 176.094 0.143 0.000 1.030 1292 V CA -0.527 61.865 62.300 0.154 0.000 0.881 1292 V CB 1.087 32.978 31.823 0.113 0.000 0.983 1292 V HN 0.878 nan 8.190 nan 0.000 0.445 1293 F N 3.691 123.687 119.950 0.077 0.000 2.422 1293 F HA 0.591 5.118 4.527 -0.000 0.000 0.333 1293 F C 0.179 176.034 175.800 0.091 0.000 1.095 1293 F CA -0.444 57.593 58.000 0.061 0.000 1.038 1293 F CB 1.943 40.951 39.000 0.014 0.000 1.156 1293 F HN 0.142 nan 8.300 nan 0.000 0.483 1294 V N 3.511 123.579 119.914 0.256 0.000 2.409 1294 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 1294 V C -0.895 175.314 176.094 0.191 0.000 1.020 1294 V CA -0.496 61.931 62.300 0.212 0.000 0.848 1294 V CB 1.555 33.524 31.823 0.243 0.000 0.990 1294 V HN 0.818 nan 8.190 nan 0.000 0.430 1295 E N 3.631 123.920 120.200 0.148 0.000 2.352 1295 E HA 0.732 5.082 4.350 -0.000 0.000 0.280 1295 E C -0.960 175.690 176.600 0.083 0.000 0.930 1295 E CA -0.821 55.658 56.400 0.131 0.000 0.765 1295 E CB 2.280 32.058 29.700 0.129 0.000 1.219 1295 E HN 0.548 nan 8.360 nan 0.000 0.434 1296 S N 0.721 116.476 115.700 0.091 0.000 2.810 1296 S HA 0.407 4.877 4.470 -0.000 0.000 0.315 1296 S C -0.346 174.268 174.600 0.022 0.000 1.138 1296 S CA -1.035 57.198 58.200 0.056 0.000 0.889 1296 S CB 0.758 64.001 63.200 0.071 0.000 1.236 1296 S HN 0.661 nan 8.310 nan 0.000 0.548 1297 E N 0.369 120.567 120.200 -0.004 0.000 2.366 1297 E HA 0.473 4.823 4.350 -0.000 0.000 0.266 1297 E C 0.910 177.453 176.600 -0.095 0.000 1.015 1297 E CA -0.228 56.150 56.400 -0.036 0.000 0.906 1297 E CB -0.246 29.433 29.700 -0.034 0.000 0.979 1297 E HN 1.333 nan 8.360 nan 0.000 0.443 1298 G N 3.178 111.909 108.800 -0.114 0.000 2.848 1298 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 1298 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 1298 G C -0.348 174.477 174.900 -0.125 0.000 1.374 1298 G CA -0.273 44.682 45.100 -0.240 0.000 0.982 1298 G HN 0.494 nan 8.290 nan 0.000 0.563 1299 F N 1.756 121.720 119.950 0.023 0.000 2.595 1299 F HA 0.534 5.061 4.527 -0.000 0.000 0.359 1299 F C 1.221 177.042 175.800 0.035 0.000 1.147 1299 F CA 0.506 58.520 58.000 0.024 0.000 1.341 1299 F CB 1.173 40.188 39.000 0.025 0.000 1.104 1299 F HN 0.549 nan 8.300 nan 0.000 0.603 1300 S N 2.757 118.607 115.700 0.250 0.000 2.680 1300 S HA 0.336 4.806 4.470 -0.000 0.000 0.262 1300 S C -1.026 173.632 174.600 0.097 0.000 1.138 1300 S CA -0.948 57.361 58.200 0.181 0.000 1.072 1300 S CB 0.178 63.483 63.200 0.175 0.000 1.097 1300 S HN 0.448 nan 8.310 nan 0.000 0.468 1301 K N 2.906 123.316 120.400 0.018 0.000 2.159 1301 K HA 0.362 4.682 4.320 -0.000 0.000 0.266 1301 K C -0.309 175.968 176.600 -0.538 0.000 0.975 1301 K CA -0.602 55.525 56.287 -0.267 0.000 0.865 1301 K CB 1.936 34.268 32.500 -0.280 0.000 1.087 1301 K HN 0.712 nan 8.250 nan 0.000 0.446 1302 E N 2.881 122.587 120.200 -0.824 0.000 2.129 1302 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 1302 E C -1.505 174.543 176.600 -0.919 0.000 0.900 1302 E CA -0.577 55.159 56.400 -1.107 0.000 0.755 1302 E CB 0.688 29.775 29.700 -1.023 0.000 1.117 1302 E HN 0.391 nan 8.360 nan 0.000 0.410 1303 Y N 4.328 124.399 120.300 -0.382 0.000 2.356 1303 Y HA 0.229 4.779 4.550 -0.000 0.000 0.334 1303 Y C -0.072 175.726 175.900 -0.169 0.000 0.958 1303 Y CA -1.140 56.836 58.100 -0.206 0.000 1.196 1303 Y CB 1.299 39.679 38.460 -0.134 0.000 1.137 1303 Y HN 0.337 nan 8.280 nan 0.000 0.485 1304 K N 3.840 124.232 120.400 -0.013 0.000 2.276 1304 K HA 0.454 4.774 4.320 -0.000 0.000 0.285 1304 K C -1.355 175.258 176.600 0.023 0.000 1.062 1304 K CA -0.560 55.721 56.287 -0.010 0.000 0.918 1304 K CB 1.403 33.885 32.500 -0.030 0.000 1.055 1304 K HN 0.455 nan 8.250 nan 0.000 0.477 1305 L N 4.819 126.057 121.223 0.025 0.000 2.317 1305 L HA 0.298 4.638 4.340 -0.000 0.000 0.281 1305 L C -1.654 175.226 176.870 0.016 0.000 1.024 1305 L CA -2.323 52.530 54.840 0.022 0.000 0.810 1305 L CB 1.487 43.560 42.059 0.024 0.000 1.240 1305 L HN 0.442 nan 8.230 nan 0.000 0.427 1306 P HA -0.202 nan 4.420 nan 0.000 0.223 1306 P C 0.795 178.102 177.300 0.011 0.000 1.140 1306 P CA 0.939 64.045 63.100 0.010 0.000 0.783 1306 P CB 0.206 31.910 31.700 0.007 0.000 0.759 1307 K N -1.731 118.678 120.400 0.013 0.000 6.290 1307 K HA -0.202 4.118 4.320 -0.000 0.000 0.468 1307 K C 0.592 177.199 176.600 0.011 0.000 0.353 1307 K CA 1.961 58.256 56.287 0.014 0.000 1.965 1307 K CB -2.184 30.324 32.500 0.013 0.000 0.605 1307 K HN 0.102 nan 8.250 nan 0.000 0.718 1308 D N 1.654 122.060 120.400 0.009 0.000 2.403 1308 D HA 0.054 4.694 4.640 -0.000 0.000 0.227 1308 D C 0.646 176.951 176.300 0.007 0.000 0.995 1308 D CA 1.030 55.035 54.000 0.008 0.000 0.928 1308 D CB -0.286 40.518 40.800 0.006 0.000 0.887 1308 D HN 0.480 nan 8.370 nan 0.000 0.529 1309 A N 0.903 123.727 122.820 0.007 0.000 2.522 1309 A HA 0.065 4.385 4.320 -0.000 0.000 0.256 1309 A C 0.865 178.452 177.584 0.005 0.000 1.086 1309 A CA -0.056 51.984 52.037 0.005 0.000 0.763 1309 A CB 0.069 19.072 19.000 0.006 0.000 1.024 1309 A HN -0.006 nan 8.150 nan 0.000 0.502 1310 R N 2.586 123.088 120.500 0.003 0.000 4.518 1310 R HA 0.141 4.481 4.340 -0.000 0.000 0.243 1310 R C -0.126 176.175 176.300 0.002 0.000 1.720 1310 R CA -0.337 55.766 56.100 0.004 0.000 1.526 1310 R CB -0.615 29.688 30.300 0.004 0.000 1.425 1310 R HN 0.776 nan 8.270 nan 0.000 0.787 1311 L N -1.110 120.114 121.223 0.002 0.000 2.453 1311 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 1311 L C -0.168 176.705 176.870 0.004 0.000 1.182 1311 L CA 0.412 55.252 54.840 -0.000 0.000 0.858 1311 L CB 0.501 42.563 42.059 0.004 0.000 1.120 1311 L HN 0.077 nan 8.230 nan 0.000 0.474 1312 L N 6.048 127.272 121.223 0.002 0.000 2.732 1312 L HA 0.499 4.839 4.340 -0.000 0.000 0.246 1312 L C -0.873 176.002 176.870 0.008 0.000 1.407 1312 L CA -0.042 54.801 54.840 0.006 0.000 0.861 1312 L CB 0.636 42.699 42.059 0.007 0.000 1.161 1312 L HN 0.625 nan 8.230 nan 0.000 0.510 1313 V N 2.588 122.508 119.914 0.011 0.000 2.569 1313 V HA 0.389 4.509 4.120 -0.000 0.000 0.301 1313 V C 0.056 176.161 176.094 0.019 0.000 1.044 1313 V CA -1.029 61.281 62.300 0.016 0.000 0.874 1313 V CB 2.362 34.194 31.823 0.015 0.000 1.002 1313 V HN 0.380 nan 8.190 nan 0.000 0.424 1314 K N 1.867 122.278 120.400 0.019 0.000 2.126 1314 K HA 0.436 4.756 4.320 -0.000 0.000 0.257 1314 K C -0.382 176.227 176.600 0.015 0.000 1.007 1314 K CA -0.748 55.550 56.287 0.018 0.000 0.928 1314 K CB 1.179 33.690 32.500 0.018 0.000 1.013 1314 K HN 0.560 nan 8.250 nan 0.000 0.473 1315 D N 0.008 120.416 120.400 0.012 0.000 2.405 1315 D HA 0.028 4.668 4.640 -0.000 0.000 0.232 1315 D C 0.976 177.267 176.300 -0.014 0.000 1.240 1315 D CA 2.347 56.349 54.000 0.003 0.000 0.881 1315 D CB 0.072 40.873 40.800 -0.000 0.000 1.222 1315 D HN 0.760 nan 8.370 nan 0.000 0.482 1316 G N 1.153 109.929 108.800 -0.041 0.000 2.337 1316 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.290 1316 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.290 1316 G C -0.073 174.754 174.900 -0.121 0.000 1.003 1316 G CA 0.366 45.409 45.100 -0.095 0.000 0.825 1316 G HN 0.588 nan 8.290 nan 0.000 0.509 1317 D N -0.812 119.548 120.400 -0.068 0.000 2.345 1317 D HA 0.365 5.005 4.640 -0.000 0.000 0.247 1317 D C 0.476 176.729 176.300 -0.079 0.000 1.108 1317 D CA -0.060 53.932 54.000 -0.013 0.000 0.894 1317 D CB 0.494 41.311 40.800 0.028 0.000 1.203 1317 D HN 0.195 nan 8.370 nan 0.000 0.430 1318 Y N 0.555 120.870 120.300 0.026 0.000 2.300 1318 Y HA 0.357 4.906 4.550 -0.000 0.000 0.328 1318 Y C 0.726 176.642 175.900 0.027 0.000 1.270 1318 Y CA -0.140 57.977 58.100 0.028 0.000 1.352 1318 Y CB 1.086 39.560 38.460 0.023 0.000 1.286 1318 Y HN 0.012 nan 8.280 nan 0.000 0.536 1319 V N 1.059 121.084 119.914 0.185 0.000 3.178 1319 V HA 0.290 4.410 4.120 -0.000 0.000 0.302 1319 V C -1.276 174.873 176.094 0.092 0.000 1.262 1319 V CA -0.989 61.373 62.300 0.103 0.000 1.030 1319 V CB 2.430 34.291 31.823 0.064 0.000 1.074 1319 V HN 0.807 nan 8.190 nan 0.000 0.438 1320 E N 1.893 122.127 120.200 0.056 0.000 2.227 1320 E HA 0.753 5.103 4.350 -0.000 0.000 0.268 1320 E C -0.276 176.339 176.600 0.025 0.000 0.907 1320 E CA -0.590 55.837 56.400 0.043 0.000 0.786 1320 E CB 2.006 31.723 29.700 0.029 0.000 1.191 1320 E HN 0.995 nan 8.360 nan 0.000 0.411 1321 A N 2.123 124.960 122.820 0.029 0.000 2.546 1321 A HA 0.378 4.698 4.320 -0.000 0.000 0.243 1321 A C 1.127 178.702 177.584 -0.015 0.000 1.063 1321 A CA 0.965 53.011 52.037 0.014 0.000 0.757 1321 A CB -0.588 18.426 19.000 0.023 0.000 0.991 1321 A HN 1.024 nan 8.150 nan 0.000 0.503 1322 G N 0.786 109.562 108.800 -0.039 0.000 2.184 1322 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 1322 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 1322 G C 0.348 175.193 174.900 -0.090 0.000 0.975 1322 G CA 0.591 45.649 45.100 -0.070 0.000 0.642 1322 G HN 1.393 nan 8.290 nan 0.000 0.536 1323 Q N 0.991 120.749 119.800 -0.070 0.000 2.267 1323 Q HA 0.515 4.855 4.340 -0.000 0.000 0.255 1323 Q C -2.380 173.565 176.000 -0.091 0.000 0.923 1323 Q CA -1.930 53.832 55.803 -0.068 0.000 0.925 1323 Q CB 1.183 29.902 28.738 -0.032 0.000 1.195 1323 Q HN 0.177 nan 8.270 nan 0.000 0.417 1324 P HA -0.129 nan 4.420 nan 0.000 0.264 1324 P C -0.462 176.790 177.300 -0.080 0.000 1.179 1324 P CA 0.126 63.167 63.100 -0.097 0.000 0.763 1324 P CB 0.519 32.176 31.700 -0.072 0.000 0.806 1325 L N 2.581 123.745 121.223 -0.099 0.000 3.076 1325 L HA 0.207 4.547 4.340 -0.000 0.000 0.271 1325 L C 1.328 178.160 176.870 -0.064 0.000 1.152 1325 L CA 1.528 56.314 54.840 -0.091 0.000 0.996 1325 L CB -0.334 41.628 42.059 -0.161 0.000 1.453 1325 L HN 0.274 nan 8.230 nan 0.000 0.571 1326 T N -0.445 114.071 114.554 -0.063 0.000 3.009 1326 T HA 0.262 4.612 4.350 -0.000 0.000 0.267 1326 T C -0.191 174.495 174.700 -0.025 0.000 0.942 1326 T CA 0.138 62.213 62.100 -0.041 0.000 0.883 1326 T CB 0.388 69.227 68.868 -0.049 0.000 1.192 1326 T HN 0.368 nan 8.240 nan 0.000 0.524 1327 R N -0.143 120.342 120.500 -0.025 0.000 1.008 1327 R HA 0.113 4.453 4.340 -0.000 0.000 0.429 1327 R C -0.003 176.295 176.300 -0.004 0.000 1.364 1327 R CA 0.761 56.856 56.100 -0.010 0.000 1.225 1327 R CB -1.486 28.813 30.300 -0.002 0.000 3.501 1327 R HN 0.694 nan 8.270 nan 0.000 0.510 1328 G N 1.630 110.434 108.800 0.008 0.000 2.297 1328 G HA2 0.409 4.369 3.960 -0.000 0.000 0.209 1328 G HA3 0.409 4.369 3.960 -0.000 0.000 0.209 1328 G C -0.471 174.449 174.900 0.032 0.000 1.267 1328 G CA -0.173 44.937 45.100 0.016 0.000 1.127 1328 G HN 1.706 nan 8.290 nan 0.000 0.498 1329 A N -0.454 122.388 122.820 0.037 0.000 2.302 1329 A HA 0.761 5.081 4.320 -0.000 0.000 0.285 1329 A C 0.264 177.872 177.584 0.041 0.000 1.105 1329 A CA -0.201 51.878 52.037 0.070 0.000 0.816 1329 A CB 0.272 19.312 19.000 0.066 0.000 1.067 1329 A HN 1.041 nan 8.150 nan 0.000 0.489 1330 I N 1.194 121.798 120.570 0.056 0.000 2.353 1330 I HA 0.128 4.298 4.170 -0.000 0.000 0.293 1330 I C -0.173 175.941 176.117 -0.005 0.000 0.992 1330 I CA -0.410 60.846 61.300 -0.074 0.000 1.268 1330 I CB 1.425 39.207 38.000 -0.363 0.000 1.387 1330 I HN 0.651 nan 8.210 nan 0.000 0.478 1331 D N 9.408 129.799 120.400 -0.016 0.000 2.367 1331 D HA 0.067 4.707 4.640 -0.000 0.000 0.255 1331 D C -1.422 174.884 176.300 0.010 0.000 1.300 1331 D CA -2.064 51.952 54.000 0.026 0.000 0.959 1331 D CB 0.801 41.624 40.800 0.038 0.000 1.064 1331 D HN 0.232 nan 8.370 nan 0.000 0.509 1332 P HA -0.165 nan 4.420 nan 0.000 0.234 1332 P C 0.811 178.061 177.300 -0.084 0.000 1.162 1332 P CA 0.806 63.890 63.100 -0.027 0.000 0.759 1332 P CB 0.213 31.918 31.700 0.008 0.000 0.813 1333 H N 0.394 119.468 119.070 0.006 0.000 2.355 1333 H HA 0.064 4.620 4.556 -0.000 0.000 0.303 1333 H C 2.076 177.398 175.328 -0.010 0.000 1.061 1333 H CA 1.184 57.234 56.048 0.004 0.000 1.368 1333 H CB -0.227 29.540 29.762 0.008 0.000 1.412 1333 H HN 0.279 nan 8.280 nan 0.000 0.523 1334 Q N 0.143 120.008 119.800 0.108 0.000 2.124 1334 Q HA -0.127 4.212 4.340 -0.000 0.000 0.202 1334 Q C 2.374 178.368 176.000 -0.011 0.000 0.977 1334 Q CA 1.018 56.840 55.803 0.031 0.000 0.850 1334 Q CB -0.078 28.660 28.738 -0.001 0.000 0.901 1334 Q HN 0.195 nan 8.270 nan 0.000 0.429 1335 L N 0.954 122.150 121.223 -0.045 0.000 2.005 1335 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 1335 L C 2.190 179.039 176.870 -0.036 0.000 1.072 1335 L CA 1.326 56.117 54.840 -0.082 0.000 0.744 1335 L CB -0.733 41.230 42.059 -0.161 0.000 0.895 1335 L HN 0.258 nan 8.230 nan 0.000 0.433 1336 L N 0.011 121.228 121.223 -0.011 0.000 1.976 1336 L HA -0.292 4.047 4.340 -0.000 0.000 0.223 1336 L C 2.420 179.305 176.870 0.025 0.000 1.081 1336 L CA 2.638 57.486 54.840 0.013 0.000 0.784 1336 L CB -1.182 40.896 42.059 0.032 0.000 0.896 1336 L HN 0.542 nan 8.230 nan 0.000 0.438 1337 E N -0.647 119.575 120.200 0.037 0.000 2.478 1337 E HA -0.083 4.267 4.350 -0.000 0.000 0.198 1337 E C 1.401 178.009 176.600 0.013 0.000 1.046 1337 E CA 0.823 57.243 56.400 0.034 0.000 0.870 1337 E CB 0.100 29.826 29.700 0.043 0.000 0.818 1337 E HN 0.696 nan 8.360 nan 0.000 0.527 1338 A N -0.086 122.735 122.820 0.001 0.000 2.508 1338 A HA 0.239 4.559 4.320 -0.000 0.000 0.250 1338 A C 1.612 179.187 177.584 -0.015 0.000 1.208 1338 A CA -0.046 51.984 52.037 -0.012 0.000 0.960 1338 A CB 0.510 19.496 19.000 -0.023 0.000 1.099 1338 A HN 0.029 nan 8.150 nan 0.000 0.542 1339 K N -1.496 118.896 120.400 -0.013 0.000 2.601 1339 K HA 0.399 4.719 4.320 -0.000 0.000 0.214 1339 K C 0.288 176.889 176.600 0.002 0.000 1.628 1339 K CA 1.030 57.310 56.287 -0.012 0.000 1.036 1339 K CB 1.373 33.854 32.500 -0.030 0.000 1.352 1339 K HN 0.977 nan 8.250 nan 0.000 0.607 1340 G N 0.448 109.253 108.800 0.009 0.000 2.375 1340 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.663 1340 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.663 1340 G C -2.672 172.244 174.900 0.026 0.000 1.391 1340 G CA -0.422 44.692 45.100 0.023 0.000 0.949 1340 G HN -0.169 nan 8.290 nan 0.000 0.646 1341 P HA -0.007 nan 4.420 nan 0.000 0.217 1341 P C 1.351 178.666 177.300 0.025 0.000 1.154 1341 P CA 1.775 64.895 63.100 0.034 0.000 0.841 1341 P CB 0.177 31.909 31.700 0.052 0.000 0.788 1342 E N 1.597 121.814 120.200 0.029 0.000 2.038 1342 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 1342 E C 2.371 178.985 176.600 0.024 0.000 1.000 1342 E CA 1.749 58.163 56.400 0.023 0.000 0.803 1342 E CB -1.822 27.893 29.700 0.025 0.000 0.750 1342 E HN 0.195 nan 8.360 nan 0.000 0.448 1343 A N 1.047 123.881 122.820 0.024 0.000 1.940 1343 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 1343 A C 2.554 180.163 177.584 0.041 0.000 1.176 1343 A CA 1.560 53.613 52.037 0.026 0.000 0.631 1343 A CB -0.916 18.091 19.000 0.012 0.000 0.814 1343 A HN 0.178 nan 8.150 nan 0.000 0.446 1344 V N -0.246 119.688 119.914 0.032 0.000 2.343 1344 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 1344 V C 2.441 178.575 176.094 0.067 0.000 1.051 1344 V CA 2.488 64.819 62.300 0.051 0.000 1.036 1344 V CB -0.567 31.266 31.823 0.015 0.000 0.654 1344 V HN 0.700 nan 8.190 nan 0.000 0.451 1345 E N -0.628 119.589 120.200 0.028 0.000 2.049 1345 E HA -0.244 4.105 4.350 -0.000 0.000 0.198 1345 E C 2.524 179.130 176.600 0.009 0.000 1.007 1345 E CA 1.337 57.739 56.400 0.003 0.000 0.809 1345 E CB -0.176 29.522 29.700 -0.004 0.000 0.749 1345 E HN 0.311 nan 8.360 nan 0.000 0.450 1346 R N -0.389 120.131 120.500 0.033 0.000 2.148 1346 R HA -0.139 4.201 4.340 -0.000 0.000 0.227 1346 R C 2.153 178.487 176.300 0.056 0.000 1.103 1346 R CA 0.837 56.956 56.100 0.033 0.000 0.983 1346 R CB -0.297 30.026 30.300 0.038 0.000 0.874 1346 R HN 0.320 nan 8.270 nan 0.000 0.451 1347 Y N 1.219 121.497 120.300 -0.038 0.000 2.109 1347 Y HA -0.239 4.311 4.550 -0.000 0.000 0.285 1347 Y C 2.022 177.888 175.900 -0.057 0.000 1.131 1347 Y CA 1.226 59.301 58.100 -0.042 0.000 1.121 1347 Y CB -0.543 37.891 38.460 -0.043 0.000 0.987 1347 Y HN -0.149 nan 8.280 nan 0.000 0.495 1348 L N -0.152 120.966 121.223 -0.176 0.000 1.965 1348 L HA -0.285 4.055 4.340 -0.000 0.000 0.226 1348 L C 2.644 179.333 176.870 -0.301 0.000 1.083 1348 L CA 1.944 56.605 54.840 -0.299 0.000 0.790 1348 L CB -1.837 40.104 42.059 -0.197 0.000 0.898 1348 L HN 0.230 nan 8.230 nan 0.000 0.439 1349 V N 0.087 119.887 119.914 -0.190 0.000 2.233 1349 V HA -0.388 3.732 4.120 -0.000 0.000 0.252 1349 V C 2.379 178.399 176.094 -0.123 0.000 1.063 1349 V CA 2.220 64.443 62.300 -0.129 0.000 1.032 1349 V CB -0.644 31.141 31.823 -0.064 0.000 0.645 1349 V HN 0.466 nan 8.190 nan 0.000 0.446 1350 D N -0.841 119.482 120.400 -0.129 0.000 2.158 1350 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 1350 D C 2.285 178.491 176.300 -0.156 0.000 0.995 1350 D CA 1.198 55.133 54.000 -0.108 0.000 0.846 1350 D CB -0.083 40.673 40.800 -0.074 0.000 0.941 1350 D HN 0.464 nan 8.370 nan 0.000 0.456 1351 E N -0.112 119.907 120.200 -0.302 0.000 2.170 1351 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 1351 E C 2.428 178.926 176.600 -0.169 0.000 0.981 1351 E CA 0.027 56.237 56.400 -0.317 0.000 0.830 1351 E CB 0.140 29.460 29.700 -0.634 0.000 0.775 1351 E HN 0.414 nan 8.360 nan 0.000 0.470 1352 I N 1.088 121.578 120.570 -0.133 0.000 2.193 1352 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 1352 I C 2.476 178.678 176.117 0.142 0.000 1.084 1352 I CA 0.817 62.122 61.300 0.009 0.000 1.365 1352 I CB -0.329 37.688 38.000 0.028 0.000 1.064 1352 I HN -0.036 nan 8.210 nan 0.000 0.410 1353 Q N 1.159 121.029 119.800 0.117 0.000 2.173 1353 Q HA -0.278 4.062 4.340 -0.000 0.000 0.208 1353 Q C 2.168 178.235 176.000 0.113 0.000 0.989 1353 Q CA 1.554 57.444 55.803 0.144 0.000 0.872 1353 Q CB -0.422 28.350 28.738 0.056 0.000 0.909 1353 Q HN 0.488 nan 8.270 nan 0.000 0.420 1354 K N 0.001 120.422 120.400 0.036 0.000 2.059 1354 K HA -0.171 4.148 4.320 -0.000 0.000 0.212 1354 K C 2.132 178.740 176.600 0.014 0.000 1.050 1354 K CA 1.763 58.056 56.287 0.010 0.000 0.927 1354 K CB -0.066 32.416 32.500 -0.030 0.000 0.714 1354 K HN 0.091 nan 8.250 nan 0.000 0.447 1355 V N -0.097 119.815 119.914 -0.004 0.000 2.244 1355 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 1355 V C 2.020 178.083 176.094 -0.052 0.000 1.042 1355 V CA 1.696 63.956 62.300 -0.066 0.000 1.006 1355 V CB -0.934 30.791 31.823 -0.162 0.000 0.641 1355 V HN 0.250 nan 8.190 nan 0.000 0.446 1356 Y N 0.378 120.684 120.300 0.010 0.000 2.193 1356 Y HA -0.271 4.279 4.550 -0.000 0.000 0.285 1356 Y C 2.836 178.739 175.900 0.005 0.000 1.166 1356 Y CA 2.052 60.160 58.100 0.012 0.000 1.181 1356 Y CB -0.284 38.189 38.460 0.023 0.000 0.976 1356 Y HN 0.081 nan 8.280 nan 0.000 0.520 1357 R N -0.222 120.374 120.500 0.159 0.000 2.057 1357 R HA -0.074 4.265 4.340 -0.000 0.000 0.229 1357 R C 2.441 178.771 176.300 0.051 0.000 1.136 1357 R CA 1.309 57.461 56.100 0.086 0.000 0.952 1357 R CB -0.671 29.664 30.300 0.057 0.000 0.848 1357 R HN 0.271 nan 8.270 nan 0.000 0.430 1358 A N -0.389 122.451 122.820 0.032 0.000 2.066 1358 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 1358 A C 1.960 179.549 177.584 0.008 0.000 1.157 1358 A CA 1.084 53.129 52.037 0.013 0.000 0.670 1358 A CB -0.239 18.762 19.000 0.002 0.000 0.804 1358 A HN 0.255 nan 8.150 nan 0.000 0.453 1359 Q N -1.603 118.201 119.800 0.007 0.000 2.137 1359 Q HA 0.210 4.550 4.340 -0.000 0.000 0.198 1359 Q C 1.311 177.324 176.000 0.022 0.000 0.960 1359 Q CA 1.751 57.557 55.803 0.004 0.000 0.847 1359 Q CB 0.107 28.836 28.738 -0.015 0.000 0.915 1359 Q HN 0.790 nan 8.270 nan 0.000 0.448 1360 G N -1.921 106.905 108.800 0.043 0.000 2.870 1360 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 1360 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 1360 G C -0.468 174.465 174.900 0.055 0.000 0.973 1360 G CA -0.049 45.075 45.100 0.040 0.000 0.807 1360 G HN 0.129 nan 8.290 nan 0.000 0.573 1361 V N 1.366 121.337 119.914 0.095 0.000 2.686 1361 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 1361 V C 0.565 176.696 176.094 0.062 0.000 1.055 1361 V CA -0.078 62.281 62.300 0.098 0.000 1.050 1361 V CB 1.642 33.578 31.823 0.189 0.000 0.984 1361 V HN 0.339 nan 8.190 nan 0.000 0.482 1362 K N 4.715 125.128 120.400 0.023 0.000 2.307 1362 K HA 0.714 5.034 4.320 -0.000 0.000 0.263 1362 K C -1.482 175.107 176.600 -0.018 0.000 0.973 1362 K CA -0.645 55.642 56.287 -0.001 0.000 0.846 1362 K CB 1.293 33.788 32.500 -0.008 0.000 1.100 1362 K HN 0.634 nan 8.250 nan 0.000 0.438 1363 L N 0.555 121.761 121.223 -0.028 0.000 2.505 1363 L HA 0.445 4.785 4.340 -0.000 0.000 0.259 1363 L C -0.767 176.152 176.870 0.082 0.000 0.952 1363 L CA -0.897 53.950 54.840 0.011 0.000 0.840 1363 L CB 1.194 43.200 42.059 -0.088 0.000 1.358 1363 L HN 0.556 nan 8.230 nan 0.000 0.409 1364 H N 1.582 120.721 119.070 0.115 0.000 2.972 1364 H HA 0.076 4.632 4.556 -0.000 0.000 0.343 1364 H C -0.054 175.280 175.328 0.010 0.000 1.054 1364 H CA 0.924 56.986 56.048 0.023 0.000 1.412 1364 H CB 1.155 30.852 29.762 -0.109 0.000 1.385 1364 H HN 0.836 nan 8.280 nan 0.000 0.600 1365 D N 3.401 124.002 120.400 0.334 0.000 2.117 1365 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 1365 D C 1.945 178.307 176.300 0.104 0.000 0.987 1365 D CA 1.684 55.792 54.000 0.179 0.000 0.829 1365 D CB 0.067 40.944 40.800 0.128 0.000 0.961 1365 D HN 0.654 nan 8.370 nan 0.000 0.460 1366 K N 0.072 120.480 120.400 0.013 0.000 2.281 1366 K HA -0.179 4.141 4.320 -0.000 0.000 0.203 1366 K C 1.781 178.272 176.600 -0.182 0.000 1.046 1366 K CA 1.159 57.312 56.287 -0.222 0.000 0.938 1366 K CB -0.305 31.871 32.500 -0.540 0.000 0.737 1366 K HN 0.214 nan 8.250 nan 0.000 0.458 1367 H N 1.223 120.265 119.070 -0.048 0.000 2.256 1367 H HA 0.003 4.559 4.556 -0.000 0.000 0.299 1367 H C 2.204 177.539 175.328 0.011 0.000 1.071 1367 H CA 1.832 57.864 56.048 -0.025 0.000 1.280 1367 H CB -0.263 29.489 29.762 -0.018 0.000 1.370 1367 H HN 0.167 nan 8.280 nan 0.000 0.490 1368 I N 0.905 121.579 120.570 0.173 0.000 2.264 1368 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 1368 I C 2.365 178.525 176.117 0.072 0.000 1.111 1368 I CA 1.119 62.504 61.300 0.142 0.000 1.382 1368 I CB -0.312 37.746 38.000 0.096 0.000 1.060 1368 I HN 0.282 nan 8.210 nan 0.000 0.418 1369 E N 1.001 121.220 120.200 0.032 0.000 2.097 1369 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 1369 E C 2.262 178.862 176.600 0.001 0.000 1.000 1369 E CA 1.498 57.897 56.400 -0.003 0.000 0.804 1369 E CB -0.132 29.553 29.700 -0.025 0.000 0.740 1369 E HN 0.478 nan 8.360 nan 0.000 0.454 1370 I N 0.251 120.829 120.570 0.013 0.000 2.226 1370 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 1370 I C 2.220 178.358 176.117 0.035 0.000 1.100 1370 I CA 0.823 62.130 61.300 0.012 0.000 1.374 1370 I CB -0.081 37.929 38.000 0.016 0.000 1.057 1370 I HN 0.015 nan 8.210 nan 0.000 0.413 1371 V N -0.112 119.855 119.914 0.089 0.000 2.307 1371 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 1371 V C 2.393 178.542 176.094 0.092 0.000 1.045 1371 V CA 1.412 63.795 62.300 0.137 0.000 1.024 1371 V CB -0.564 31.446 31.823 0.312 0.000 0.651 1371 V HN 0.229 nan 8.190 nan 0.000 0.449 1372 V N 0.150 120.087 119.914 0.039 0.000 2.392 1372 V HA -0.289 3.830 4.120 -0.000 0.000 0.249 1372 V C 2.646 178.724 176.094 -0.027 0.000 1.059 1372 V CA 2.260 64.543 62.300 -0.028 0.000 1.051 1372 V CB -0.884 30.896 31.823 -0.073 0.000 0.658 1372 V HN 0.481 nan 8.190 nan 0.000 0.455 1373 R N -0.114 120.371 120.500 -0.025 0.000 2.103 1373 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 1373 R C 2.361 178.618 176.300 -0.072 0.000 1.142 1373 R CA 1.737 57.809 56.100 -0.047 0.000 0.960 1373 R CB -0.128 30.145 30.300 -0.045 0.000 0.858 1373 R HN 0.553 nan 8.270 nan 0.000 0.439 1374 Q N -0.137 119.633 119.800 -0.050 0.000 2.123 1374 Q HA -0.100 4.240 4.340 -0.000 0.000 0.199 1374 Q C 2.063 178.023 176.000 -0.067 0.000 0.966 1374 Q CA 1.085 56.841 55.803 -0.079 0.000 0.845 1374 Q CB -0.232 28.493 28.738 -0.022 0.000 0.907 1374 Q HN 0.443 nan 8.270 nan 0.000 0.439 1375 M N -0.271 119.325 119.600 -0.008 0.000 2.435 1375 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 1375 M C 1.048 177.344 176.300 -0.008 0.000 1.065 1375 M CA 0.824 56.134 55.300 0.017 0.000 1.076 1375 M CB 0.046 32.651 32.600 0.008 0.000 1.403 1375 M HN 0.086 nan 8.290 nan 0.000 0.454 1376 L N -0.868 120.319 121.223 -0.060 0.000 2.638 1376 L HA 0.083 4.423 4.340 -0.000 0.000 0.232 1376 L C 1.868 178.637 176.870 -0.168 0.000 1.099 1376 L CA 0.861 55.658 54.840 -0.072 0.000 0.883 1376 L CB -0.709 41.316 42.059 -0.057 0.000 1.136 1376 L HN 0.216 nan 8.230 nan 0.000 0.492 1377 K N -0.274 119.938 120.400 -0.313 0.000 2.385 1377 K HA -0.210 4.110 4.320 -0.000 0.000 0.202 1377 K C -0.236 175.915 176.600 -0.748 0.000 1.044 1377 K CA 1.387 57.316 56.287 -0.596 0.000 0.933 1377 K CB 0.028 32.016 32.500 -0.853 0.000 0.744 1377 K HN 0.189 nan 8.250 nan 0.000 0.479 1378 Y N -1.064 119.179 120.300 -0.093 0.000 2.587 1378 Y HA 0.443 4.992 4.550 -0.000 0.000 0.337 1378 Y C -0.179 175.637 175.900 -0.139 0.000 1.065 1378 Y CA -1.381 56.653 58.100 -0.110 0.000 1.126 1378 Y CB 1.943 40.364 38.460 -0.065 0.000 1.279 1378 Y HN -0.254 nan 8.280 nan 0.000 0.489 1379 V N -1.677 118.262 119.914 0.041 0.000 3.048 1379 V HA 0.508 4.628 4.120 -0.000 0.000 0.303 1379 V C -1.174 174.938 176.094 0.030 0.000 1.214 1379 V CA -1.159 61.111 62.300 -0.049 0.000 0.984 1379 V CB 1.773 33.379 31.823 -0.362 0.000 1.054 1379 V HN 0.828 nan 8.190 nan 0.000 0.430 1380 E N 1.258 121.508 120.200 0.082 0.000 2.222 1380 E HA 0.704 5.054 4.350 -0.000 0.000 0.272 1380 E C -0.990 175.690 176.600 0.134 0.000 0.982 1380 E CA -0.819 55.633 56.400 0.087 0.000 0.842 1380 E CB 2.189 31.934 29.700 0.074 0.000 1.144 1380 E HN 0.744 nan 8.360 nan 0.000 0.397 1381 V N 2.019 121.996 119.914 0.107 0.000 2.607 1381 V HA 0.326 4.445 4.120 -0.000 0.000 0.289 1381 V C 0.116 176.269 176.094 0.098 0.000 1.053 1381 V CA -0.562 61.811 62.300 0.122 0.000 0.996 1381 V CB 1.034 32.912 31.823 0.091 0.000 0.995 1381 V HN 0.807 nan 8.190 nan 0.000 0.476 1382 T N 0.176 114.790 114.554 0.100 0.000 2.840 1382 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 1382 T C -0.649 174.079 174.700 0.048 0.000 0.991 1382 T CA -0.522 61.614 62.100 0.060 0.000 0.964 1382 T CB 1.142 70.037 68.868 0.046 0.000 0.954 1382 T HN 0.829 nan 8.240 nan 0.000 0.438 1383 D N 3.123 123.545 120.400 0.037 0.000 4.478 1383 D HA -0.100 4.540 4.640 -0.000 0.000 0.238 1383 D C -2.371 173.952 176.300 0.039 0.000 1.056 1383 D CA 0.079 54.097 54.000 0.029 0.000 1.245 1383 D CB 0.203 41.013 40.800 0.017 0.000 0.794 1383 D HN 0.453 nan 8.370 nan 0.000 0.394 1384 P HA 0.427 nan 4.420 nan 0.000 0.282 1384 P C 0.674 177.998 177.300 0.040 0.000 1.287 1384 P CA 0.129 63.257 63.100 0.047 0.000 0.792 1384 P CB 0.951 32.675 31.700 0.041 0.000 1.163 1385 G N -1.399 107.427 108.800 0.044 0.000 2.828 1385 G HA2 0.057 4.017 3.960 -0.000 0.000 0.201 1385 G HA3 0.057 4.017 3.960 -0.000 0.000 0.201 1385 G C 0.408 175.327 174.900 0.032 0.000 1.102 1385 G CA 0.244 45.367 45.100 0.038 0.000 0.815 1385 G HN 0.538 nan 8.290 nan 0.000 0.590 1386 D N 0.235 120.656 120.400 0.034 0.000 2.914 1386 D HA 0.267 4.907 4.640 -0.000 0.000 0.349 1386 D C -0.261 176.055 176.300 0.027 0.000 1.540 1386 D CA 0.152 54.169 54.000 0.028 0.000 0.778 1386 D CB 0.788 41.604 40.800 0.027 0.000 1.213 1386 D HN 0.325 nan 8.370 nan 0.000 0.451 1387 S N -1.850 113.867 115.700 0.028 0.000 2.843 1387 S HA 0.795 5.264 4.470 -0.000 0.000 0.301 1387 S C 0.109 174.724 174.600 0.025 0.000 1.206 1387 S CA -0.929 57.287 58.200 0.026 0.000 0.875 1387 S CB 1.433 64.651 63.200 0.030 0.000 1.248 1387 S HN 0.231 nan 8.310 nan 0.000 0.555 1388 R N 0.514 121.027 120.500 0.022 0.000 2.457 1388 R HA 0.733 5.073 4.340 -0.000 0.000 0.284 1388 R C 0.302 176.618 176.300 0.026 0.000 1.024 1388 R CA -0.343 55.770 56.100 0.021 0.000 1.025 1388 R CB -0.617 29.692 30.300 0.016 0.000 1.063 1388 R HN 1.218 nan 8.270 nan 0.000 0.493 1389 L N 0.447 121.685 121.223 0.026 0.000 2.727 1389 L HA 0.439 4.779 4.340 -0.000 0.000 0.237 1389 L C -0.102 176.785 176.870 0.029 0.000 1.370 1389 L CA 0.439 55.298 54.840 0.032 0.000 1.248 1389 L CB -0.155 41.923 42.059 0.031 0.000 1.556 1389 L HN 0.685 nan 8.230 nan 0.000 0.420 1390 L N -1.067 120.172 121.223 0.026 0.000 3.699 1390 L HA 0.322 4.662 4.340 -0.000 0.000 0.344 1390 L C 0.486 177.366 176.870 0.017 0.000 1.196 1390 L CA -0.197 54.655 54.840 0.021 0.000 1.202 1390 L CB 0.582 42.648 42.059 0.013 0.000 1.592 1390 L HN 0.431 nan 8.230 nan 0.000 0.631 1391 E N 1.251 121.463 120.200 0.020 0.000 2.398 1391 E HA 0.252 4.602 4.350 -0.000 0.000 0.263 1391 E C 0.294 176.898 176.600 0.007 0.000 1.046 1391 E CA 0.033 56.440 56.400 0.010 0.000 0.908 1391 E CB 1.276 30.986 29.700 0.016 0.000 0.963 1391 E HN 0.162 nan 8.360 nan 0.000 0.431 1392 G N 2.058 110.846 108.800 -0.020 0.000 2.377 1392 G HA2 0.281 4.241 3.960 -0.000 0.000 0.316 1392 G HA3 0.281 4.241 3.960 -0.000 0.000 0.316 1392 G C -0.551 174.324 174.900 -0.041 0.000 1.115 1392 G CA -0.243 44.834 45.100 -0.039 0.000 0.952 1392 G HN 0.249 nan 8.290 nan 0.000 0.441 1393 Q N 1.691 121.500 119.800 0.014 0.000 2.377 1393 Q HA 0.536 4.876 4.340 -0.000 0.000 0.271 1393 Q C -0.220 175.861 176.000 0.135 0.000 1.077 1393 Q CA -0.604 55.226 55.803 0.046 0.000 0.820 1393 Q CB 2.303 31.058 28.738 0.028 0.000 1.347 1393 Q HN 0.383 nan 8.270 nan 0.000 0.444 1394 V N 5.122 125.147 119.914 0.185 0.000 2.599 1394 V HA -0.069 4.051 4.120 -0.000 0.000 0.300 1394 V C 1.592 177.641 176.094 -0.076 0.000 1.034 1394 V CA 0.472 62.861 62.300 0.148 0.000 1.115 1394 V CB 0.293 32.185 31.823 0.115 0.000 0.934 1394 V HN 0.944 nan 8.190 nan 0.000 0.485 1395 L N 3.150 124.243 121.223 -0.216 0.000 2.043 1395 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 1395 L C 2.125 178.814 176.870 -0.300 0.000 1.075 1395 L CA 2.077 56.688 54.840 -0.381 0.000 0.752 1395 L CB 0.055 41.864 42.059 -0.417 0.000 0.891 1395 L HN 0.895 nan 8.230 nan 0.000 0.432 1396 E N -1.378 118.716 120.200 -0.175 0.000 2.451 1396 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 1396 E C 1.470 178.041 176.600 -0.048 0.000 1.027 1396 E CA -0.103 56.239 56.400 -0.098 0.000 0.914 1396 E CB 0.223 29.880 29.700 -0.071 0.000 1.054 1396 E HN 0.170 nan 8.360 nan 0.000 0.461 1397 K N -0.834 119.540 120.400 -0.045 0.000 2.166 1397 K HA -0.026 4.294 4.320 -0.000 0.000 0.201 1397 K C 1.219 177.822 176.600 0.005 0.000 1.052 1397 K CA 1.103 57.387 56.287 -0.005 0.000 0.969 1397 K CB -0.209 32.300 32.500 0.015 0.000 0.761 1397 K HN 0.399 nan 8.250 nan 0.000 0.459 1398 W N 1.875 123.164 121.300 -0.019 0.000 3.213 1398 W HA 0.230 4.890 4.660 -0.000 0.000 0.430 1398 W C 0.703 177.264 176.519 0.071 0.000 0.975 1398 W CA -0.406 56.956 57.345 0.030 0.000 2.015 1398 W CB -0.406 29.073 29.460 0.032 0.000 1.047 1398 W HN -0.073 nan 8.180 nan 0.000 0.797 1399 D N -1.179 119.248 120.400 0.045 0.000 2.431 1399 D HA 0.033 4.673 4.640 -0.000 0.000 0.227 1399 D C 2.204 178.556 176.300 0.086 0.000 1.030 1399 D CA 1.515 55.570 54.000 0.093 0.000 0.897 1399 D CB 0.276 41.101 40.800 0.040 0.000 1.058 1399 D HN 0.162 nan 8.370 nan 0.000 0.500 1400 V N 0.884 120.833 119.914 0.057 0.000 2.809 1400 V HA -0.014 4.106 4.120 -0.000 0.000 0.256 1400 V C 1.834 177.963 176.094 0.059 0.000 1.080 1400 V CA 1.885 64.215 62.300 0.051 0.000 1.102 1400 V CB -1.067 30.779 31.823 0.038 0.000 0.705 1400 V HN 0.288 nan 8.190 nan 0.000 0.475 1401 E N -0.469 119.775 120.200 0.073 0.000 2.405 1401 E HA 0.695 5.045 4.350 -0.000 0.000 0.214 1401 E C 0.974 177.636 176.600 0.103 0.000 1.101 1401 E CA 0.657 57.103 56.400 0.077 0.000 1.254 1401 E CB 0.211 29.954 29.700 0.073 0.000 1.240 1401 E HN 0.681 nan 8.360 nan 0.000 0.439 1402 A N -0.642 122.243 122.820 0.108 0.000 1.803 1402 A HA 0.496 4.816 4.320 -0.000 0.000 0.202 1402 A C 1.229 178.858 177.584 0.075 0.000 1.802 1402 A CA 0.363 52.472 52.037 0.121 0.000 1.096 1402 A CB 0.309 19.445 19.000 0.226 0.000 1.046 1402 A HN 0.461 nan 8.150 nan 0.000 0.568 1403 L N 1.377 122.646 121.223 0.076 0.000 2.928 1403 L HA 0.362 4.702 4.340 -0.000 0.000 0.246 1403 L C 1.096 177.992 176.870 0.042 0.000 1.239 1403 L CA 0.156 55.027 54.840 0.050 0.000 1.035 1403 L CB 0.231 42.321 42.059 0.050 0.000 1.360 1403 L HN 0.633 nan 8.230 nan 0.000 0.529 1404 N N -0.531 118.195 118.700 0.044 0.000 2.503 1404 N HA -0.037 4.703 4.740 -0.000 0.000 0.210 1404 N C 1.203 176.731 175.510 0.031 0.000 1.077 1404 N CA 0.967 54.038 53.050 0.035 0.000 0.855 1404 N CB 0.704 39.212 38.487 0.036 0.000 1.323 1404 N HN 0.268 nan 8.380 nan 0.000 0.452 1405 E N 0.621 120.842 120.200 0.035 0.000 2.357 1405 E HA 0.093 4.443 4.350 -0.000 0.000 0.194 1405 E C 1.203 177.817 176.600 0.023 0.000 1.177 1405 E CA 0.907 57.324 56.400 0.029 0.000 0.998 1405 E CB -1.145 28.575 29.700 0.033 0.000 1.106 1405 E HN 0.632 nan 8.360 nan 0.000 0.470 1406 R N -2.377 118.136 120.500 0.022 0.000 2.435 1406 R HA 0.589 4.929 4.340 -0.000 0.000 0.276 1406 R C 1.914 178.223 176.300 0.015 0.000 0.866 1406 R CA 1.037 57.147 56.100 0.016 0.000 1.085 1406 R CB -1.182 29.127 30.300 0.014 0.000 1.751 1406 R HN 0.950 nan 8.270 nan 0.000 0.463 1407 L N -0.636 120.598 121.223 0.018 0.000 2.408 1407 L HA 0.775 5.115 4.340 -0.000 0.000 0.215 1407 L C 2.308 179.187 176.870 0.015 0.000 1.081 1407 L CA 1.994 56.844 54.840 0.017 0.000 0.840 1407 L CB -0.413 41.658 42.059 0.020 0.000 1.002 1407 L HN 0.954 nan 8.230 nan 0.000 0.468 1408 I N -2.101 118.478 120.570 0.015 0.000 3.489 1408 I HA 0.792 4.962 4.170 -0.000 0.000 0.273 1408 I C 1.656 177.781 176.117 0.013 0.000 0.979 1408 I CA 0.398 61.706 61.300 0.013 0.000 2.160 1408 I CB -0.415 37.593 38.000 0.014 0.000 1.637 1408 I HN 0.661 nan 8.210 nan 0.000 0.449 1409 A N 2.481 125.309 122.820 0.014 0.000 2.981 1409 A HA 0.575 4.895 4.320 -0.000 0.000 0.280 1409 A C 0.474 178.067 177.584 0.015 0.000 1.797 1409 A CA 0.776 52.822 52.037 0.014 0.000 1.456 1409 A CB -2.063 16.946 19.000 0.015 0.000 1.057 1409 A HN 1.653 nan 8.150 nan 0.000 0.602 1410 E N 0.411 120.619 120.200 0.013 0.000 2.373 1410 E HA 0.605 4.954 4.350 -0.000 0.000 0.263 1410 E C 0.607 177.214 176.600 0.011 0.000 1.073 1410 E CA 0.106 56.513 56.400 0.012 0.000 0.894 1410 E CB 0.818 30.524 29.700 0.010 0.000 1.008 1410 E HN 2.371 nan 8.360 nan 0.000 0.420 1411 G N -0.291 108.516 108.800 0.011 0.000 2.361 1411 G HA2 0.410 4.370 3.960 -0.000 0.000 0.331 1411 G HA3 0.410 4.370 3.960 -0.000 0.000 0.331 1411 G C 0.427 175.334 174.900 0.013 0.000 1.324 1411 G CA 0.539 45.646 45.100 0.011 0.000 0.984 1411 G HN 1.484 nan 8.290 nan 0.000 0.586 1412 K N -2.238 118.169 120.400 0.012 0.000 3.860 1412 K HA -0.255 4.065 4.320 -0.000 0.000 0.215 1412 K C 0.592 177.200 176.600 0.013 0.000 0.729 1412 K CA 3.879 60.174 56.287 0.013 0.000 0.634 1412 K CB -1.622 30.888 32.500 0.017 0.000 0.774 1412 K HN 2.307 nan 8.250 nan 0.000 0.793 1413 V N -3.124 116.801 119.914 0.018 0.000 3.012 1413 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 1413 V C -2.291 173.817 176.094 0.024 0.000 1.166 1413 V CA -0.966 61.344 62.300 0.017 0.000 0.974 1413 V CB 1.711 33.545 31.823 0.020 0.000 1.040 1413 V HN 0.455 nan 8.190 nan 0.000 0.428 1414 P HA 0.173 nan 4.420 nan 0.000 0.237 1414 P C -0.153 177.179 177.300 0.053 0.000 1.178 1414 P CA 0.348 63.464 63.100 0.027 0.000 0.766 1414 P CB -0.017 31.682 31.700 -0.003 0.000 0.876 1415 V N -1.783 118.160 119.914 0.050 0.000 3.478 1415 V HA -0.150 3.970 4.120 -0.000 0.000 0.490 1415 V C 0.325 176.464 176.094 0.076 0.000 0.682 1415 V CA -0.156 62.193 62.300 0.082 0.000 2.029 1415 V CB -2.129 29.772 31.823 0.130 0.000 2.466 1415 V HN 0.409 nan 8.190 nan 0.000 0.504 1416 A N 6.583 129.428 122.820 0.041 0.000 2.328 1416 A HA 0.862 5.182 4.320 -0.000 0.000 0.284 1416 A C -0.427 177.222 177.584 0.109 0.000 1.160 1416 A CA 0.173 52.200 52.037 -0.016 0.000 0.818 1416 A CB 0.649 19.622 19.000 -0.044 0.000 1.087 1416 A HN 2.033 nan 8.150 nan 0.000 0.504 1417 W N 2.236 123.547 121.300 0.019 0.000 2.929 1417 W HA 0.779 5.439 4.660 -0.000 0.000 0.345 1417 W C -1.028 175.505 176.519 0.022 0.000 1.151 1417 W CA -1.521 55.838 57.345 0.023 0.000 1.111 1417 W CB 0.834 30.311 29.460 0.027 0.000 1.449 1417 W HN 0.697 nan 8.180 nan 0.000 0.572 1418 K N 1.431 122.150 120.400 0.533 0.000 2.427 1418 K HA 0.635 4.955 4.320 -0.000 0.000 0.252 1418 K C -2.774 174.046 176.600 0.367 0.000 0.931 1418 K CA -1.970 54.557 56.287 0.401 0.000 0.793 1418 K CB 2.180 34.792 32.500 0.186 0.000 1.211 1418 K HN 0.215 nan 8.250 nan 0.000 0.426 1419 P HA 0.014 nan 4.420 nan 0.000 0.269 1419 P C -1.111 176.260 177.300 0.118 0.000 1.215 1419 P CA -0.419 62.780 63.100 0.165 0.000 0.780 1419 P CB 0.571 32.367 31.700 0.160 0.000 0.898 1420 L N 2.750 124.026 121.223 0.089 0.000 2.431 1420 L HA 0.360 4.700 4.340 -0.000 0.000 0.266 1420 L C -0.876 176.056 176.870 0.104 0.000 0.978 1420 L CA -0.737 54.168 54.840 0.108 0.000 0.822 1420 L CB 1.781 43.905 42.059 0.108 0.000 1.310 1420 L HN 0.238 nan 8.230 nan 0.000 0.409 1421 L N 6.179 127.477 121.223 0.123 0.000 2.389 1421 L HA 0.303 4.643 4.340 -0.000 0.000 0.265 1421 L C -0.431 176.493 176.870 0.091 0.000 1.167 1421 L CA -0.088 54.777 54.840 0.042 0.000 1.045 1421 L CB 0.284 42.254 42.059 -0.149 0.000 1.351 1421 L HN 0.694 nan 8.230 nan 0.000 0.419 1422 M N 1.965 121.630 119.600 0.108 0.000 2.228 1422 M HA 0.143 4.623 4.480 -0.000 0.000 0.351 1422 M C 0.867 177.220 176.300 0.089 0.000 1.233 1422 M CA 0.007 55.382 55.300 0.124 0.000 1.129 1422 M CB 0.879 33.596 32.600 0.196 0.000 1.604 1422 M HN 0.433 nan 8.290 nan 0.000 0.457 1423 G N 2.263 111.117 108.800 0.090 0.000 2.807 1423 G HA2 0.401 4.361 3.960 -0.000 0.000 0.316 1423 G HA3 0.401 4.361 3.960 -0.000 0.000 0.316 1423 G C 0.953 175.913 174.900 0.100 0.000 0.900 1423 G CA -0.499 44.652 45.100 0.084 0.000 1.499 1423 G HN 0.748 nan 8.290 nan 0.000 0.484 1424 V N 1.958 121.945 119.914 0.121 0.000 0.602 1424 V HA -0.406 3.714 4.120 -0.000 0.000 0.092 1424 V C 2.887 179.044 176.094 0.106 0.000 1.758 1424 V CA 3.322 65.707 62.300 0.143 0.000 3.371 1424 V CB -1.358 30.603 31.823 0.230 0.000 0.660 1424 V HN 0.684 nan 8.190 nan 0.000 0.677 1425 T N -2.156 112.450 114.554 0.087 0.000 2.770 1425 T HA -0.196 4.154 4.350 -0.000 0.000 0.263 1425 T C 1.654 176.355 174.700 0.001 0.000 1.039 1425 T CA 2.188 64.324 62.100 0.060 0.000 1.142 1425 T CB -0.122 68.784 68.868 0.064 0.000 0.868 1425 T HN 0.625 nan 8.240 nan 0.000 0.435 1426 K N 0.561 120.965 120.400 0.007 0.000 2.148 1426 K HA 0.071 4.391 4.320 -0.000 0.000 0.204 1426 K C 2.312 178.894 176.600 -0.030 0.000 1.050 1426 K CA 1.223 57.489 56.287 -0.035 0.000 0.942 1426 K CB -0.392 32.105 32.500 -0.006 0.000 0.724 1426 K HN 0.248 nan 8.250 nan 0.000 0.446 1427 S N -0.800 114.939 115.700 0.066 0.000 2.561 1427 S HA 0.070 4.540 4.470 -0.000 0.000 0.225 1427 S C 1.558 176.249 174.600 0.152 0.000 0.977 1427 S CA 0.665 58.982 58.200 0.196 0.000 0.926 1427 S CB -0.118 63.225 63.200 0.239 0.000 0.769 1427 S HN 0.426 nan 8.310 nan 0.000 0.533 1428 A N 1.593 124.434 122.820 0.034 0.000 1.850 1428 A HA 0.190 4.510 4.320 -0.000 0.000 0.212 1428 A C 2.059 179.556 177.584 -0.145 0.000 1.208 1428 A CA 1.099 53.142 52.037 0.010 0.000 0.609 1428 A CB -1.024 18.005 19.000 0.048 0.000 0.860 1428 A HN 0.597 nan 8.150 nan 0.000 0.448 1429 L N 0.900 121.905 121.223 -0.363 0.000 2.012 1429 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 1429 L C 1.224 177.926 176.870 -0.280 0.000 1.073 1429 L CA 2.175 56.703 54.840 -0.521 0.000 0.748 1429 L CB -0.434 41.312 42.059 -0.523 0.000 0.891 1429 L HN 0.304 nan 8.230 nan 0.000 0.431 1430 S N 0.108 115.655 115.700 -0.254 0.000 4.117 1430 S HA 0.126 4.596 4.470 -0.000 0.000 0.191 1430 S C 0.336 174.820 174.600 -0.192 0.000 1.308 1430 S CA 0.135 58.151 58.200 -0.307 0.000 0.906 1430 S CB -1.133 61.726 63.200 -0.567 0.000 1.565 1430 S HN 0.554 nan 8.310 nan 0.000 0.439 1431 T N 1.158 115.681 114.554 -0.052 0.000 2.855 1431 T HA 0.334 4.684 4.350 -0.000 0.000 0.281 1431 T C 1.290 176.026 174.700 0.060 0.000 1.007 1431 T CA -1.033 61.103 62.100 0.060 0.000 1.009 1431 T CB 0.894 69.807 68.868 0.075 0.000 0.983 1431 T HN 0.299 nan 8.240 nan 0.000 0.455 1432 K N 2.366 122.819 120.400 0.089 0.000 2.366 1432 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 1432 K C 0.517 177.184 176.600 0.112 0.000 1.045 1432 K CA 0.974 57.316 56.287 0.091 0.000 0.934 1432 K CB -0.777 31.776 32.500 0.087 0.000 0.746 1432 K HN 0.324 nan 8.250 nan 0.000 0.470 1433 S N 2.301 118.055 115.700 0.089 0.000 2.466 1433 S HA 0.192 4.662 4.470 -0.000 0.000 0.313 1433 S C 0.374 175.018 174.600 0.073 0.000 1.078 1433 S CA -0.854 57.378 58.200 0.054 0.000 1.115 1433 S CB -0.014 63.176 63.200 -0.017 0.000 1.006 1433 S HN 0.559 nan 8.310 nan 0.000 0.487 1434 W N 5.851 127.178 121.300 0.045 0.000 2.321 1434 W HA -0.238 4.422 4.660 -0.000 0.000 0.306 1434 W C 0.791 177.346 176.519 0.060 0.000 1.217 1434 W CA 1.026 58.400 57.345 0.049 0.000 1.257 1434 W CB -0.632 28.852 29.460 0.041 0.000 1.145 1434 W HN 0.494 nan 8.180 nan 0.000 0.509 1435 L N 1.957 122.711 121.223 -0.782 0.000 1.997 1435 L HA -0.291 4.049 4.340 -0.000 0.000 0.216 1435 L C 2.970 179.718 176.870 -0.203 0.000 1.074 1435 L CA 2.959 57.404 54.840 -0.658 0.000 0.763 1435 L CB -1.796 39.852 42.059 -0.685 0.000 0.890 1435 L HN 0.426 nan 8.230 nan 0.000 0.434 1436 S N -1.820 113.820 115.700 -0.099 0.000 2.439 1436 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 1436 S C 2.060 176.774 174.600 0.189 0.000 1.029 1436 S CA 0.451 58.668 58.200 0.029 0.000 0.946 1436 S CB -0.529 62.700 63.200 0.048 0.000 0.797 1436 S HN 0.323 nan 8.310 nan 0.000 0.504 1437 A N 2.231 125.157 122.820 0.177 0.000 1.972 1437 A HA 0.259 4.578 4.320 -0.000 0.000 0.219 1437 A C 2.446 180.204 177.584 0.290 0.000 1.169 1437 A CA 1.599 53.775 52.037 0.232 0.000 0.635 1437 A CB -1.369 17.713 19.000 0.137 0.000 0.810 1437 A HN 0.737 nan 8.150 nan 0.000 0.446 1438 A N 0.195 123.145 122.820 0.217 0.000 1.851 1438 A HA -0.148 4.171 4.320 -0.000 0.000 0.216 1438 A C 2.398 180.073 177.584 0.152 0.000 1.195 1438 A CA 2.305 54.456 52.037 0.190 0.000 0.622 1438 A CB -1.219 17.883 19.000 0.170 0.000 0.831 1438 A HN 0.617 nan 8.150 nan 0.000 0.444 1439 S N -0.329 115.417 115.700 0.077 0.000 2.409 1439 S HA -0.181 4.289 4.470 -0.000 0.000 0.237 1439 S C 0.650 175.208 174.600 -0.070 0.000 1.060 1439 S CA 1.076 59.246 58.200 -0.050 0.000 1.052 1439 S CB -0.790 62.303 63.200 -0.179 0.000 0.871 1439 S HN 0.412 nan 8.310 nan 0.000 0.465 1440 F N 1.857 121.815 119.950 0.013 0.000 2.480 1440 F HA 0.337 4.864 4.527 -0.000 0.000 0.319 1440 F C 2.271 178.080 175.800 0.015 0.000 1.230 1440 F CA 0.346 58.352 58.000 0.010 0.000 1.285 1440 F CB -0.145 38.859 39.000 0.007 0.000 1.208 1440 F HN 0.148 nan 8.300 nan 0.000 0.579 1441 Q N 1.199 121.139 119.800 0.234 0.000 1.954 1441 Q HA -0.272 4.068 4.340 -0.000 0.000 0.215 1441 Q C 1.034 177.098 176.000 0.106 0.000 1.026 1441 Q CA 2.128 58.007 55.803 0.125 0.000 0.881 1441 Q CB -1.211 27.591 28.738 0.107 0.000 0.977 1441 Q HN 0.622 nan 8.270 nan 0.000 0.416 1442 N N 0.736 119.497 118.700 0.102 0.000 2.402 1442 N HA 0.086 4.826 4.740 -0.000 0.000 0.259 1442 N C -0.031 175.550 175.510 0.119 0.000 1.167 1442 N CA 0.638 53.742 53.050 0.091 0.000 0.949 1442 N CB 0.870 39.393 38.487 0.060 0.000 1.212 1442 N HN 0.623 nan 8.380 nan 0.000 0.493 1443 T N 0.680 115.303 114.554 0.114 0.000 3.039 1443 T HA -0.030 4.320 4.350 -0.000 0.000 0.250 1443 T C 1.812 176.586 174.700 0.125 0.000 1.052 1443 T CA 0.617 62.793 62.100 0.126 0.000 1.125 1443 T CB 0.161 69.091 68.868 0.103 0.000 0.908 1443 T HN 0.411 nan 8.240 nan 0.000 0.473 1444 T N 1.341 115.957 114.554 0.104 0.000 2.580 1444 T HA -0.208 4.142 4.350 -0.000 0.000 0.265 1444 T C 1.702 176.461 174.700 0.099 0.000 1.063 1444 T CA 1.894 64.042 62.100 0.081 0.000 1.170 1444 T CB -0.653 68.252 68.868 0.061 0.000 0.863 1444 T HN 0.573 nan 8.240 nan 0.000 0.418 1445 H N 0.612 119.699 119.070 0.030 0.000 2.319 1445 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 1445 H C 2.143 177.486 175.328 0.024 0.000 1.097 1445 H CA 1.762 57.822 56.048 0.019 0.000 1.285 1445 H CB -0.359 29.412 29.762 0.016 0.000 1.368 1445 H HN 0.109 nan 8.280 nan 0.000 0.495 1446 V N 0.668 120.747 119.914 0.275 0.000 2.252 1446 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 1446 V C 2.624 178.802 176.094 0.140 0.000 1.056 1446 V CA 2.150 64.581 62.300 0.219 0.000 1.022 1446 V CB -0.696 31.257 31.823 0.217 0.000 0.641 1446 V HN 0.408 nan 8.190 nan 0.000 0.445 1447 L N -0.397 120.892 121.223 0.110 0.000 2.141 1447 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 1447 L C 2.531 179.362 176.870 -0.066 0.000 1.094 1447 L CA 1.673 56.520 54.840 0.011 0.000 0.763 1447 L CB -0.957 41.135 42.059 0.054 0.000 0.908 1447 L HN 0.417 nan 8.230 nan 0.000 0.437 1448 T N -1.045 113.477 114.554 -0.052 0.000 2.542 1448 T HA -0.246 4.104 4.350 -0.000 0.000 0.257 1448 T C 1.683 176.309 174.700 -0.124 0.000 1.111 1448 T CA 1.287 63.320 62.100 -0.112 0.000 1.203 1448 T CB -0.308 68.454 68.868 -0.178 0.000 0.866 1448 T HN 0.319 nan 8.240 nan 0.000 0.399 1449 E N 1.188 121.311 120.200 -0.128 0.000 2.086 1449 E HA -0.289 4.061 4.350 -0.000 0.000 0.205 1449 E C 2.422 178.986 176.600 -0.059 0.000 1.027 1449 E CA 1.584 57.943 56.400 -0.070 0.000 0.830 1449 E CB -0.327 29.408 29.700 0.059 0.000 0.751 1449 E HN 0.445 nan 8.360 nan 0.000 0.456 1450 A N 0.873 123.658 122.820 -0.060 0.000 1.940 1450 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 1450 A C 2.342 179.784 177.584 -0.235 0.000 1.176 1450 A CA 2.216 54.174 52.037 -0.133 0.000 0.631 1450 A CB -0.663 18.231 19.000 -0.175 0.000 0.814 1450 A HN 0.441 nan 8.150 nan 0.000 0.446 1451 A N -0.353 122.324 122.820 -0.239 0.000 1.897 1451 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 1451 A C 2.087 179.580 177.584 -0.152 0.000 1.181 1451 A CA 1.207 53.104 52.037 -0.234 0.000 0.620 1451 A CB -0.554 18.324 19.000 -0.202 0.000 0.821 1451 A HN 0.457 nan 8.150 nan 0.000 0.443 1452 I N 0.083 120.583 120.570 -0.117 0.000 2.145 1452 I HA -0.259 3.911 4.170 -0.000 0.000 0.244 1452 I C 1.611 177.684 176.117 -0.074 0.000 1.075 1452 I CA 0.972 62.221 61.300 -0.085 0.000 1.332 1452 I CB -0.233 37.722 38.000 -0.075 0.000 1.033 1452 I HN 0.349 nan 8.210 nan 0.000 0.410 1453 A N 0.164 122.939 122.820 -0.074 0.000 2.304 1453 A HA 0.477 4.797 4.320 -0.000 0.000 0.301 1453 A C 1.369 178.909 177.584 -0.074 0.000 1.132 1453 A CA 0.085 52.088 52.037 -0.056 0.000 0.819 1453 A CB 0.693 19.673 19.000 -0.033 0.000 1.094 1453 A HN 0.418 nan 8.150 nan 0.000 0.492 1454 G N 0.919 109.689 108.800 -0.050 0.000 2.562 1454 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.223 1454 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.223 1454 G C 0.714 175.577 174.900 -0.060 0.000 1.102 1454 G CA 0.838 45.908 45.100 -0.049 0.000 0.742 1454 G HN 0.837 nan 8.290 nan 0.000 0.587 1455 K N 1.038 121.412 120.400 -0.044 0.000 4.087 1455 K HA -0.187 4.132 4.320 -0.000 0.000 0.326 1455 K C 0.485 177.115 176.600 0.051 0.000 0.766 1455 K CA 1.058 57.342 56.287 -0.004 0.000 0.874 1455 K CB -0.250 32.221 32.500 -0.047 0.000 1.805 1455 K HN 0.687 nan 8.250 nan 0.000 0.371 1456 K N 2.005 122.488 120.400 0.138 0.000 2.098 1456 K HA 0.186 4.506 4.320 -0.000 0.000 0.261 1456 K C 0.323 177.116 176.600 0.321 0.000 0.987 1456 K CA -0.764 55.668 56.287 0.242 0.000 0.916 1456 K CB 1.756 34.345 32.500 0.147 0.000 1.039 1456 K HN 0.275 nan 8.250 nan 0.000 0.455 1457 D N 0.607 121.221 120.400 0.357 0.000 2.178 1457 D HA -0.115 4.525 4.640 -0.000 0.000 0.217 1457 D C -0.019 176.330 176.300 0.082 0.000 0.992 1457 D CA 1.102 55.200 54.000 0.163 0.000 0.895 1457 D CB 0.416 41.147 40.800 -0.114 0.000 1.031 1457 D HN 0.783 nan 8.370 nan 0.000 0.453 1458 E N -1.757 118.476 120.200 0.055 0.000 4.207 1458 E HA -0.181 4.169 4.350 -0.000 0.000 0.382 1458 E C 0.285 176.890 176.600 0.009 0.000 0.552 1458 E CA 0.722 57.145 56.400 0.038 0.000 1.616 1458 E CB -1.426 28.302 29.700 0.045 0.000 1.908 1458 E HN 0.391 nan 8.360 nan 0.000 0.413 1459 L N -0.349 120.859 121.223 -0.026 0.000 3.677 1459 L HA -0.295 4.045 4.340 -0.000 0.000 0.464 1459 L C 0.852 177.709 176.870 -0.021 0.000 1.278 1459 L CA 0.541 55.352 54.840 -0.047 0.000 0.806 1459 L CB -2.073 39.956 42.059 -0.049 0.000 1.610 1459 L HN 0.150 nan 8.230 nan 0.000 0.867 1460 I N -0.093 120.471 120.570 -0.010 0.000 2.110 1460 I HA 0.020 4.190 4.170 -0.000 0.000 0.236 1460 I C 2.177 178.290 176.117 -0.007 0.000 1.068 1460 I CA 1.756 63.056 61.300 0.000 0.000 1.333 1460 I CB -0.714 37.291 38.000 0.008 0.000 1.054 1460 I HN 0.429 nan 8.210 nan 0.000 0.402 1461 G N 0.126 108.920 108.800 -0.009 0.000 2.486 1461 G HA2 0.356 4.316 3.960 -0.000 0.000 0.272 1461 G HA3 0.356 4.316 3.960 -0.000 0.000 0.272 1461 G C 0.761 175.649 174.900 -0.020 0.000 1.426 1461 G CA -0.245 44.849 45.100 -0.010 0.000 1.058 1461 G HN 0.233 nan 8.290 nan 0.000 0.531 1462 L N -1.496 119.716 121.223 -0.019 0.000 2.194 1462 L HA 0.158 4.498 4.340 -0.000 0.000 0.197 1462 L C 2.797 179.646 176.870 -0.035 0.000 1.106 1462 L CA 0.502 55.327 54.840 -0.026 0.000 0.785 1462 L CB -0.670 41.376 42.059 -0.022 0.000 0.960 1462 L HN 0.360 nan 8.230 nan 0.000 0.465 1463 K N 1.034 121.416 120.400 -0.030 0.000 2.090 1463 K HA -0.278 4.042 4.320 -0.000 0.000 0.218 1463 K C 1.815 178.379 176.600 -0.059 0.000 1.055 1463 K CA 2.144 58.406 56.287 -0.041 0.000 0.941 1463 K CB -0.313 32.170 32.500 -0.028 0.000 0.722 1463 K HN 0.296 nan 8.250 nan 0.000 0.458 1464 E N -0.202 119.958 120.200 -0.066 0.000 2.055 1464 E HA -0.264 4.086 4.350 -0.000 0.000 0.209 1464 E C 1.912 178.449 176.600 -0.106 0.000 1.036 1464 E CA 2.048 58.382 56.400 -0.109 0.000 0.849 1464 E CB -0.404 29.223 29.700 -0.121 0.000 0.767 1464 E HN 0.339 nan 8.360 nan 0.000 0.461 1465 N N -0.039 118.613 118.700 -0.080 0.000 2.137 1465 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 1465 N C 1.703 177.178 175.510 -0.058 0.000 1.017 1465 N CA 1.183 54.194 53.050 -0.065 0.000 0.859 1465 N CB -0.196 38.262 38.487 -0.047 0.000 1.002 1465 N HN -0.035 nan 8.380 nan 0.000 0.428 1466 V N 0.726 120.607 119.914 -0.055 0.000 2.343 1466 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 1466 V C 1.998 178.061 176.094 -0.052 0.000 1.051 1466 V CA 1.264 63.535 62.300 -0.048 0.000 1.036 1466 V CB -0.454 31.341 31.823 -0.046 0.000 0.654 1466 V HN 0.288 nan 8.190 nan 0.000 0.451 1467 I N 0.205 120.737 120.570 -0.065 0.000 2.151 1467 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 1467 I C 1.928 178.012 176.117 -0.055 0.000 1.080 1467 I CA 1.879 63.139 61.300 -0.065 0.000 1.339 1467 I CB -0.351 37.597 38.000 -0.087 0.000 1.039 1467 I HN 0.301 nan 8.210 nan 0.000 0.409 1468 L N 0.043 121.229 121.223 -0.063 0.000 2.599 1468 L HA 0.344 4.684 4.340 -0.000 0.000 0.230 1468 L C 1.624 178.476 176.870 -0.031 0.000 1.141 1468 L CA 0.616 55.429 54.840 -0.044 0.000 0.877 1468 L CB -0.891 41.137 42.059 -0.052 0.000 1.009 1468 L HN 0.340 nan 8.230 nan 0.000 0.447 1469 G N 0.182 108.961 108.800 -0.034 0.000 2.153 1469 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.252 1469 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.252 1469 G C 0.602 175.486 174.900 -0.025 0.000 0.994 1469 G CA 0.249 45.333 45.100 -0.027 0.000 0.698 1469 G HN 0.399 nan 8.290 nan 0.000 0.521 1470 R N -1.061 119.422 120.500 -0.029 0.000 2.726 1470 R HA 0.434 4.774 4.340 -0.000 0.000 0.272 1470 R C 0.429 176.712 176.300 -0.028 0.000 1.097 1470 R CA -0.763 55.321 56.100 -0.026 0.000 1.198 1470 R CB 0.184 30.468 30.300 -0.027 0.000 1.114 1470 R HN 0.200 nan 8.270 nan 0.000 0.550 1471 L N 3.507 124.713 121.223 -0.028 0.000 2.363 1471 L HA 0.163 4.503 4.340 -0.000 0.000 0.286 1471 L C -0.084 176.764 176.870 -0.037 0.000 1.106 1471 L CA 0.322 55.142 54.840 -0.034 0.000 0.859 1471 L CB -0.392 41.643 42.059 -0.039 0.000 1.223 1471 L HN 0.489 nan 8.230 nan 0.000 0.446 1472 I N 8.282 128.831 120.570 -0.034 0.000 3.359 1472 I HA -0.141 4.029 4.170 -0.000 0.000 0.356 1472 I C -1.195 174.902 176.117 -0.033 0.000 1.184 1472 I CA -0.059 61.221 61.300 -0.033 0.000 1.514 1472 I CB 0.708 38.690 38.000 -0.030 0.000 1.274 1472 I HN 0.619 nan 8.210 nan 0.000 0.488 1473 P HA 0.173 nan 4.420 nan 0.000 0.254 1473 P C -0.776 176.514 177.300 -0.017 0.000 1.631 1473 P CA 0.171 63.257 63.100 -0.022 0.000 0.861 1473 P CB -0.091 31.602 31.700 -0.013 0.000 1.663 1474 A N -1.112 121.695 122.820 -0.021 0.000 2.556 1474 A HA 0.756 5.076 4.320 -0.000 0.000 0.294 1474 A C 0.629 178.204 177.584 -0.015 0.000 1.091 1474 A CA -0.090 51.938 52.037 -0.015 0.000 0.704 1474 A CB 1.053 20.043 19.000 -0.016 0.000 1.300 1474 A HN 0.339 nan 8.150 nan 0.000 0.406 1475 G N 0.551 109.348 108.800 -0.005 0.000 2.596 1475 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.304 1475 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.304 1475 G C 1.150 176.046 174.900 -0.006 0.000 1.189 1475 G CA 1.637 46.736 45.100 -0.002 0.000 0.986 1475 G HN 2.112 nan 8.290 nan 0.000 0.548 1476 T N -0.046 114.496 114.554 -0.020 0.000 3.051 1476 T HA 0.302 4.652 4.350 -0.000 0.000 0.269 1476 T C 1.914 176.575 174.700 -0.066 0.000 1.127 1476 T CA 1.730 63.807 62.100 -0.037 0.000 1.107 1476 T CB -0.046 68.802 68.868 -0.035 0.000 0.898 1476 T HN 1.677 nan 8.240 nan 0.000 0.517 1477 G N 0.391 109.156 108.800 -0.058 0.000 3.502 1477 G HA2 0.326 4.286 3.960 -0.000 0.000 0.267 1477 G HA3 0.326 4.286 3.960 -0.000 0.000 0.267 1477 G C 0.085 174.939 174.900 -0.076 0.000 1.090 1477 G CA -0.419 44.634 45.100 -0.079 0.000 0.795 1477 G HN 0.447 nan 8.290 nan 0.000 0.535 1478 S N 0.639 116.309 115.700 -0.050 0.000 2.475 1478 S HA 0.221 4.691 4.470 -0.000 0.000 0.281 1478 S C 1.229 175.817 174.600 -0.020 0.000 1.198 1478 S CA -0.649 57.548 58.200 -0.005 0.000 1.063 1478 S CB 0.710 63.942 63.200 0.053 0.000 0.972 1478 S HN 0.289 nan 8.310 nan 0.000 0.486 1479 D N 3.605 124.005 120.400 -0.000 0.000 2.191 1479 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 1479 D C 1.376 177.757 176.300 0.135 0.000 1.003 1479 D CA 1.375 55.396 54.000 0.036 0.000 0.867 1479 D CB -0.245 40.689 40.800 0.222 0.000 0.926 1479 D HN 0.719 nan 8.370 nan 0.000 0.450 1480 F N 1.074 121.045 119.950 0.035 0.000 2.192 1480 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 1480 F C 2.109 177.930 175.800 0.035 0.000 1.079 1480 F CA 1.132 59.161 58.000 0.049 0.000 1.303 1480 F CB 0.133 39.146 39.000 0.022 0.000 1.024 1480 F HN -0.205 nan 8.300 nan 0.000 0.494 1481 V N 0.815 120.731 119.914 0.002 0.000 2.911 1481 V HA -0.073 4.047 4.120 -0.000 0.000 0.237 1481 V C 2.315 178.328 176.094 -0.135 0.000 1.156 1481 V CA 0.963 63.210 62.300 -0.089 0.000 1.180 1481 V CB -0.108 31.731 31.823 0.028 0.000 0.932 1481 V HN 0.281 nan 8.190 nan 0.000 0.483 1482 R N 0.411 120.774 120.500 -0.229 0.000 2.204 1482 R HA -0.222 4.118 4.340 -0.000 0.000 0.253 1482 R C 1.931 178.016 176.300 -0.358 0.000 1.172 1482 R CA 2.344 58.233 56.100 -0.351 0.000 0.994 1482 R CB -0.886 29.113 30.300 -0.502 0.000 0.874 1482 R HN 0.475 nan 8.270 nan 0.000 0.462 1483 F N 1.774 121.697 119.950 -0.044 0.000 2.710 1483 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 1483 F C 0.736 176.505 175.800 -0.053 0.000 1.137 1483 F CA -0.016 57.957 58.000 -0.045 0.000 1.444 1483 F CB 0.045 39.017 39.000 -0.047 0.000 1.111 1483 F HN -0.125 nan 8.300 nan 0.000 0.580 1484 T N 1.703 116.292 114.554 0.058 0.000 2.905 1484 T HA 0.253 4.603 4.350 -0.000 0.000 0.299 1484 T C 0.344 175.056 174.700 0.020 0.000 1.024 1484 T CA 0.145 62.253 62.100 0.014 0.000 1.151 1484 T CB 0.499 69.349 68.868 -0.031 0.000 0.987 1484 T HN 0.403 nan 8.240 nan 0.000 0.535 1485 Q N 1.389 121.200 119.800 0.018 0.000 2.297 1485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.269 1485 Q C -0.837 175.165 176.000 0.003 0.000 1.051 1485 Q CA -1.020 54.792 55.803 0.015 0.000 0.869 1485 Q CB 2.091 30.840 28.738 0.020 0.000 1.346 1485 Q HN 0.722 nan 8.270 nan 0.000 0.457 1486 V N 0.666 120.582 119.914 0.003 0.000 2.686 1486 V HA 0.844 4.964 4.120 -0.000 0.000 0.306 1486 V C -1.300 174.794 176.094 0.000 0.000 1.065 1486 V CA -0.442 61.858 62.300 -0.001 0.000 0.894 1486 V CB 1.563 33.385 31.823 -0.002 0.000 1.004 1486 V HN 0.987 nan 8.190 nan 0.000 0.424 1487 V N 5.076 124.989 119.914 -0.001 0.000 2.962 1487 V HA 0.597 4.717 4.120 -0.000 0.000 0.313 1487 V C -0.773 175.320 176.094 -0.001 0.000 1.099 1487 V CA -0.459 61.841 62.300 -0.001 0.000 0.971 1487 V CB 2.514 34.337 31.823 -0.001 0.000 1.028 1487 V HN 1.117 nan 8.190 nan 0.000 0.430 1488 D N 3.124 123.523 120.400 -0.001 0.000 2.348 1488 D HA 0.507 5.147 4.640 -0.000 0.000 0.249 1488 D C 0.932 177.232 176.300 -0.001 0.000 1.110 1488 D CA 0.694 54.693 54.000 -0.001 0.000 0.967 1488 D CB 2.192 42.992 40.800 -0.001 0.000 1.139 1488 D HN 0.629 nan 8.370 nan 0.000 0.466 1489 Q N 1.363 121.163 119.800 -0.001 0.000 2.046 1489 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 1489 Q C 2.415 178.414 176.000 -0.001 0.000 0.975 1489 Q CA 2.862 58.664 55.803 -0.001 0.000 0.836 1489 Q CB -1.441 27.297 28.738 -0.001 0.000 0.896 1489 Q HN 0.647 nan 8.270 nan 0.000 0.428 1490 R N 0.425 120.924 120.500 -0.001 0.000 2.096 1490 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 1490 R C 2.545 178.844 176.300 -0.001 0.000 1.127 1490 R CA 2.211 58.310 56.100 -0.001 0.000 0.968 1490 R CB -1.732 28.567 30.300 -0.001 0.000 0.861 1490 R HN 0.694 nan 8.270 nan 0.000 0.440 1491 T N 0.839 115.393 114.554 -0.001 0.000 2.867 1491 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 1491 T C 1.756 176.455 174.700 -0.001 0.000 1.057 1491 T CA 1.100 63.200 62.100 -0.001 0.000 1.136 1491 T CB -0.130 68.738 68.868 -0.001 0.000 0.874 1491 T HN 0.190 nan 8.240 nan 0.000 0.466 1492 L N 0.500 121.723 121.223 -0.001 0.000 2.240 1492 L HA 0.254 4.594 4.340 -0.000 0.000 0.211 1492 L C 1.560 178.429 176.870 -0.002 0.000 1.106 1492 L CA 1.579 56.418 54.840 -0.002 0.000 0.793 1492 L CB -0.346 41.712 42.059 -0.002 0.000 0.927 1492 L HN -0.077 nan 8.230 nan 0.000 0.446 1493 K N -0.736 119.663 120.400 -0.001 0.000 2.469 1493 K HA 0.325 4.645 4.320 -0.000 0.000 0.201 1493 K C 1.154 177.754 176.600 -0.001 0.000 1.028 1493 K CA 0.577 56.863 56.287 -0.001 0.000 1.170 1493 K CB 0.054 32.553 32.500 -0.001 0.000 0.874 1493 K HN 0.218 nan 8.250 nan 0.000 0.507 1494 A N -0.424 122.396 122.820 -0.001 0.000 2.430 1494 A HA 0.239 4.559 4.320 -0.000 0.000 0.243 1494 A C 1.219 178.802 177.584 -0.001 0.000 1.254 1494 A CA 0.077 52.114 52.037 -0.001 0.000 0.914 1494 A CB 0.030 19.030 19.000 -0.001 0.000 0.998 1494 A HN 0.236 nan 8.150 nan 0.000 0.515 1495 I N -1.699 118.870 120.570 -0.002 0.000 4.139 1495 I HA 0.143 4.313 4.170 -0.000 0.000 0.320 1495 I C 1.843 177.959 176.117 -0.002 0.000 1.290 1495 I CA 0.617 61.916 61.300 -0.002 0.000 1.253 1495 I CB 0.644 38.642 38.000 -0.003 0.000 1.122 1495 I HN 0.266 nan 8.210 nan 0.000 0.421 1496 E N 0.971 121.170 120.200 -0.002 0.000 2.285 1496 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 1496 E C 1.750 178.348 176.600 -0.002 0.000 0.997 1496 E CA 1.009 57.407 56.400 -0.002 0.000 0.845 1496 E CB 0.109 29.808 29.700 -0.002 0.000 0.782 1496 E HN 0.362 nan 8.360 nan 0.000 0.491 1497 E N -1.579 118.620 120.200 -0.002 0.000 2.463 1497 E HA 0.188 4.538 4.350 -0.000 0.000 0.193 1497 E C 0.158 176.757 176.600 -0.001 0.000 1.041 1497 E CA 0.383 56.782 56.400 -0.001 0.000 0.879 1497 E CB 0.457 30.156 29.700 -0.001 0.000 0.997 1497 E HN 0.253 nan 8.360 nan 0.000 0.478 1498 A N -0.589 122.230 122.820 -0.002 0.000 2.716 1498 A HA 0.282 4.602 4.320 -0.000 0.000 0.252 1498 A C 1.306 178.889 177.584 -0.002 0.000 1.144 1498 A CA 0.072 52.108 52.037 -0.002 0.000 0.995 1498 A CB 0.399 19.398 19.000 -0.002 0.000 1.252 1498 A HN 0.105 nan 8.150 nan 0.000 0.593 1499 R N 1.180 121.679 120.500 -0.002 0.000 2.472 1499 R HA 0.371 4.711 4.340 -0.000 0.000 0.279 1499 R C 0.416 176.714 176.300 -0.003 0.000 0.953 1499 R CA 0.748 56.846 56.100 -0.003 0.000 1.088 1499 R CB -0.850 29.448 30.300 -0.004 0.000 1.197 1499 R HN 0.586 nan 8.270 nan 0.000 0.536 1500 K N -0.061 120.337 120.400 -0.002 0.000 3.098 1500 K HA 0.412 4.732 4.320 -0.000 0.000 0.170 1500 K C -1.027 175.571 176.600 -0.002 0.000 1.106 1500 K CA -0.475 55.810 56.287 -0.002 0.000 0.864 1500 K CB 0.785 33.284 32.500 -0.002 0.000 1.047 1500 K HN 0.244 nan 8.250 nan 0.000 0.609 1501 E N 0.000 120.199 120.200 -0.002 0.000 2.725 1501 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1501 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 1501 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 1501 E HN 0.000 nan 8.360 nan 0.000 0.440