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 1ynj_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 0.000 174.680 174.700 -0.033 0.000 1.109 1253 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 1253 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 1254 Q N 0.861 120.638 119.800 -0.039 0.000 3.146 1254 Q HA 0.841 5.181 4.340 -0.000 0.000 0.318 1254 Q C 0.908 176.866 176.000 -0.069 0.000 0.992 1254 Q CA -0.145 55.624 55.803 -0.056 0.000 0.809 1254 Q CB 0.677 29.386 28.738 -0.049 0.000 1.490 1254 Q HN 1.491 nan 8.270 nan 0.000 0.493 1255 G N 0.202 108.947 108.800 -0.091 0.000 2.578 1255 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.275 1255 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.275 1255 G C 0.387 175.210 174.900 -0.129 0.000 1.271 1255 G CA 0.360 45.395 45.100 -0.109 0.000 0.941 1255 G HN 0.560 nan 8.290 nan 0.000 0.564 1256 L N 2.186 123.348 121.223 -0.102 0.000 2.046 1256 L HA 0.086 4.425 4.340 -0.000 0.000 0.208 1256 L C 0.485 177.330 176.870 -0.041 0.000 1.077 1256 L CA 3.191 57.985 54.840 -0.078 0.000 0.747 1256 L CB -1.180 40.858 42.059 -0.035 0.000 0.896 1256 L HN 0.454 nan 8.230 nan 0.000 0.432 1257 P HA -0.204 nan 4.420 nan 0.000 0.216 1257 P C 1.533 178.818 177.300 -0.024 0.000 1.150 1257 P CA 1.430 64.521 63.100 -0.016 0.000 0.843 1257 P CB -0.167 31.523 31.700 -0.017 0.000 0.787 1258 R N -0.443 120.025 120.500 -0.053 0.000 2.081 1258 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 1258 R C 2.040 178.285 176.300 -0.093 0.000 1.131 1258 R CA 1.201 57.257 56.100 -0.073 0.000 0.960 1258 R CB -1.134 29.107 30.300 -0.099 0.000 0.856 1258 R HN 0.136 nan 8.270 nan 0.000 0.436 1259 V N 1.668 121.523 119.914 -0.098 0.000 2.515 1259 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 1259 V C 2.314 178.420 176.094 0.020 0.000 1.058 1259 V CA 1.199 63.437 62.300 -0.103 0.000 1.064 1259 V CB -0.306 31.480 31.823 -0.061 0.000 0.675 1259 V HN 0.208 nan 8.190 nan 0.000 0.461 1260 I N -0.186 120.426 120.570 0.071 0.000 2.193 1260 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 1260 I C 2.420 178.582 176.117 0.075 0.000 1.084 1260 I CA 1.490 62.864 61.300 0.122 0.000 1.365 1260 I CB -1.412 36.639 38.000 0.086 0.000 1.064 1260 I HN 0.381 nan 8.210 nan 0.000 0.410 1261 E N 0.869 121.085 120.200 0.028 0.000 2.113 1261 E HA -0.270 4.080 4.350 -0.000 0.000 0.210 1261 E C 2.244 178.849 176.600 0.009 0.000 1.040 1261 E CA 1.723 58.135 56.400 0.019 0.000 0.847 1261 E CB 0.065 29.765 29.700 -0.000 0.000 0.755 1261 E HN 0.207 nan 8.360 nan 0.000 0.459 1262 L N -0.325 120.866 121.223 -0.054 0.000 1.973 1262 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 1262 L C 2.256 179.087 176.870 -0.065 0.000 1.073 1262 L CA 1.614 56.379 54.840 -0.124 0.000 0.746 1262 L CB -1.332 40.547 42.059 -0.301 0.000 0.891 1262 L HN 0.254 nan 8.230 nan 0.000 0.433 1263 F N -0.287 119.676 119.950 0.021 0.000 2.449 1263 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 1263 F C 2.057 177.875 175.800 0.029 0.000 1.092 1263 F CA 0.695 58.712 58.000 0.029 0.000 1.446 1263 F CB 0.099 39.123 39.000 0.041 0.000 1.084 1263 F HN 0.226 nan 8.300 nan 0.000 0.567 1264 E N -0.162 120.149 120.200 0.185 0.000 2.526 1264 E HA 0.354 4.704 4.350 -0.000 0.000 0.208 1264 E C 0.479 177.142 176.600 0.105 0.000 0.997 1264 E CA 0.418 56.897 56.400 0.133 0.000 0.961 1264 E CB 0.460 30.228 29.700 0.113 0.000 1.030 1264 E HN 0.123 nan 8.360 nan 0.000 0.483 1265 A N 1.594 124.460 122.820 0.077 0.000 2.360 1265 A HA -0.224 4.096 4.320 -0.000 0.000 0.289 1265 A C -0.482 177.166 177.584 0.107 0.000 1.437 1265 A CA 0.789 52.849 52.037 0.038 0.000 0.734 1265 A CB -1.231 17.758 19.000 -0.018 0.000 1.145 1265 A HN 0.146 nan 8.150 nan 0.000 0.374 1266 R N -0.455 120.098 120.500 0.089 0.000 2.393 1266 R HA 0.562 4.902 4.340 -0.000 0.000 0.315 1266 R C 0.495 176.848 176.300 0.088 0.000 0.952 1266 R CA 0.095 56.253 56.100 0.096 0.000 0.842 1266 R CB 1.251 31.592 30.300 0.068 0.000 1.163 1266 R HN 0.923 nan 8.270 nan 0.000 0.450 1267 R N 4.403 124.963 120.500 0.099 0.000 2.459 1267 R HA 0.159 4.499 4.340 -0.000 0.000 0.301 1267 R C -1.892 174.436 176.300 0.047 0.000 1.286 1267 R CA -1.017 55.130 56.100 0.078 0.000 1.046 1267 R CB -1.209 29.136 30.300 0.076 0.000 1.071 1267 R HN 0.468 nan 8.270 nan 0.000 0.512 1268 P HA 0.158 nan 4.420 nan 0.000 0.277 1268 P C -0.805 176.507 177.300 0.019 0.000 1.276 1268 P CA -0.630 62.487 63.100 0.029 0.000 0.788 1268 P CB 0.716 32.434 31.700 0.030 0.000 1.114 1269 K N 0.097 120.505 120.400 0.014 0.000 2.276 1269 K HA 0.376 4.696 4.320 -0.000 0.000 0.283 1269 K C -0.301 176.303 176.600 0.006 0.000 1.044 1269 K CA 0.050 56.342 56.287 0.009 0.000 0.944 1269 K CB 0.010 32.514 32.500 0.007 0.000 1.012 1269 K HN 0.713 nan 8.250 nan 0.000 0.472 1270 A N 3.834 126.656 122.820 0.003 0.000 2.301 1270 A HA -0.144 4.176 4.320 -0.000 0.000 0.283 1270 A C 0.612 178.196 177.584 -0.001 0.000 1.419 1270 A CA 0.937 52.973 52.037 -0.001 0.000 0.730 1270 A CB -1.363 17.636 19.000 -0.001 0.000 1.161 1270 A HN 0.997 nan 8.150 nan 0.000 0.356 1271 K N 0.715 121.113 120.400 -0.003 0.000 2.515 1271 K HA 0.251 4.571 4.320 -0.000 0.000 0.196 1271 K C 1.098 177.682 176.600 -0.028 0.000 1.038 1271 K CA 0.815 57.097 56.287 -0.009 0.000 0.967 1271 K CB -0.326 32.169 32.500 -0.007 0.000 0.780 1271 K HN 2.218 nan 8.250 nan 0.000 0.483 1272 A N 0.930 123.734 122.820 -0.027 0.000 1.613 1272 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 1272 A C 0.266 177.805 177.584 -0.075 0.000 1.219 1272 A CA 0.286 52.298 52.037 -0.042 0.000 0.709 1272 A CB -1.516 17.465 19.000 -0.033 0.000 1.177 1272 A HN 0.101 nan 8.150 nan 0.000 0.230 1273 V N 3.019 122.879 119.914 -0.090 0.000 2.843 1273 V HA 0.187 4.307 4.120 -0.000 0.000 0.305 1273 V C 0.759 176.714 176.094 -0.231 0.000 1.120 1273 V CA 1.151 63.357 62.300 -0.157 0.000 1.254 1273 V CB -0.499 31.216 31.823 -0.181 0.000 0.901 1273 V HN 1.108 nan 8.190 nan 0.000 0.503 1274 I N 1.331 121.733 120.570 -0.279 0.000 2.648 1274 I HA 0.665 4.835 4.170 -0.000 0.000 0.304 1274 I C 0.244 176.074 176.117 -0.478 0.000 1.009 1274 I CA -0.622 60.501 61.300 -0.295 0.000 1.114 1274 I CB 1.736 39.617 38.000 -0.198 0.000 1.293 1274 I HN 0.496 nan 8.210 nan 0.000 0.449 1275 S N 2.666 118.119 115.700 -0.412 0.000 2.528 1275 S HA 0.210 4.680 4.470 -0.000 0.000 0.277 1275 S C 0.620 175.142 174.600 -0.130 0.000 1.297 1275 S CA -0.648 57.324 58.200 -0.380 0.000 1.052 1275 S CB 0.661 63.766 63.200 -0.160 0.000 0.917 1275 S HN 0.747 nan 8.310 nan 0.000 0.492 1276 E N 1.396 121.619 120.200 0.039 0.000 2.216 1276 E HA 0.090 4.440 4.350 -0.000 0.000 0.192 1276 E C 0.296 176.885 176.600 -0.018 0.000 0.988 1276 E CA 0.515 56.936 56.400 0.035 0.000 0.834 1276 E CB 0.144 29.903 29.700 0.097 0.000 0.772 1276 E HN 0.598 nan 8.360 nan 0.000 0.479 1277 I N 1.156 121.722 120.570 -0.008 0.000 2.693 1277 I HA 0.118 4.288 4.170 -0.000 0.000 0.303 1277 I C -0.506 175.581 176.117 -0.050 0.000 1.025 1277 I CA -0.975 60.265 61.300 -0.100 0.000 1.086 1277 I CB 1.547 39.418 38.000 -0.216 0.000 1.268 1277 I HN -0.160 nan 8.210 nan 0.000 0.440 1278 D N 3.724 124.086 120.400 -0.063 0.000 2.369 1278 D HA 0.505 5.145 4.640 -0.000 0.000 0.241 1278 D C 0.216 176.534 176.300 0.031 0.000 1.271 1278 D CA 0.622 54.621 54.000 -0.003 0.000 0.942 1278 D CB 0.793 41.599 40.800 0.011 0.000 1.129 1278 D HN 0.888 nan 8.370 nan 0.000 0.476 1279 G N -1.602 107.244 108.800 0.077 0.000 2.325 1279 G HA2 0.115 4.075 3.960 -0.000 0.000 0.285 1279 G HA3 0.115 4.075 3.960 -0.000 0.000 0.285 1279 G C -1.610 173.317 174.900 0.046 0.000 1.303 1279 G CA -0.703 44.449 45.100 0.086 0.000 0.970 1279 G HN 0.435 nan 8.290 nan 0.000 0.490 1280 V N -0.114 119.782 119.914 -0.030 0.000 2.513 1280 V HA 0.676 4.796 4.120 -0.000 0.000 0.299 1280 V C 0.540 176.584 176.094 -0.082 0.000 1.035 1280 V CA -0.700 61.484 62.300 -0.193 0.000 0.889 1280 V CB 1.512 33.136 31.823 -0.333 0.000 0.988 1280 V HN 0.927 nan 8.190 nan 0.000 0.440 1281 V N 5.662 125.521 119.914 -0.091 0.000 2.785 1281 V HA 0.593 4.713 4.120 -0.000 0.000 0.300 1281 V C 0.137 176.236 176.094 0.009 0.000 1.062 1281 V CA -0.300 61.999 62.300 -0.002 0.000 1.029 1281 V CB 1.569 33.395 31.823 0.006 0.000 1.024 1281 V HN 0.900 nan 8.190 nan 0.000 0.477 1282 R N 4.706 125.259 120.500 0.088 0.000 2.810 1282 R HA 0.495 4.835 4.340 -0.000 0.000 0.280 1282 R C -0.790 175.619 176.300 0.181 0.000 1.517 1282 R CA -0.267 55.890 56.100 0.095 0.000 1.063 1282 R CB 1.133 31.462 30.300 0.048 0.000 1.275 1282 R HN 0.725 nan 8.270 nan 0.000 0.464 1283 I N 1.405 122.043 120.570 0.113 0.000 2.588 1283 I HA 0.417 4.587 4.170 -0.000 0.000 0.283 1283 I C -0.191 176.001 176.117 0.124 0.000 1.119 1283 I CA 0.136 61.505 61.300 0.115 0.000 1.419 1283 I CB 1.049 39.087 38.000 0.064 0.000 1.394 1283 I HN 0.743 nan 8.210 nan 0.000 0.562 1284 E N 3.833 124.126 120.200 0.156 0.000 2.263 1284 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 1284 E C -0.182 176.480 176.600 0.104 0.000 0.884 1284 E CA 0.655 57.140 56.400 0.142 0.000 0.766 1284 E CB 1.505 31.341 29.700 0.227 0.000 1.196 1284 E HN 2.050 nan 8.360 nan 0.000 0.416 1285 E N 0.653 120.893 120.200 0.067 0.000 7.832 1285 E HA 0.111 4.461 4.350 -0.000 0.000 0.464 1285 E C -0.459 176.163 176.600 0.036 0.000 0.594 1285 E CA 0.406 56.835 56.400 0.048 0.000 1.043 1285 E CB -1.358 28.374 29.700 0.052 0.000 0.978 1285 E HN 0.848 nan 8.360 nan 0.000 0.263 1286 G N -0.530 108.286 108.800 0.026 0.000 2.495 1286 G HA2 0.981 4.941 3.960 -0.000 0.000 0.318 1286 G HA3 0.981 4.941 3.960 -0.000 0.000 0.318 1286 G C 1.003 175.913 174.900 0.016 0.000 1.257 1286 G CA 1.806 46.918 45.100 0.020 0.000 0.962 1286 G HN 2.366 nan 8.290 nan 0.000 0.483 1287 E N -0.937 119.271 120.200 0.013 0.000 4.876 1287 E HA -0.462 3.888 4.350 -0.000 0.000 0.174 1287 E C 1.810 178.416 176.600 0.010 0.000 1.304 1287 E CA 3.387 59.793 56.400 0.010 0.000 2.277 1287 E CB -2.181 27.524 29.700 0.009 0.000 1.860 1287 E HN 1.632 nan 8.360 nan 0.000 0.382 1288 D N 0.580 120.987 120.400 0.012 0.000 2.095 1288 D HA 0.397 5.037 4.640 -0.000 0.000 0.192 1288 D C 1.782 178.089 176.300 0.012 0.000 0.990 1288 D CA 4.076 58.083 54.000 0.012 0.000 0.836 1288 D CB -0.389 40.419 40.800 0.014 0.000 0.979 1288 D HN 1.965 nan 8.370 nan 0.000 0.447 1289 R N -1.353 119.157 120.500 0.016 0.000 2.548 1289 R HA 0.694 5.034 4.340 -0.000 0.000 0.280 1289 R C -1.440 174.872 176.300 0.019 0.000 1.061 1289 R CA -0.494 55.615 56.100 0.015 0.000 0.915 1289 R CB 0.774 31.084 30.300 0.015 0.000 1.210 1289 R HN 0.783 nan 8.270 nan 0.000 0.442 1290 L N 1.609 122.839 121.223 0.011 0.000 2.294 1290 L HA 0.793 5.133 4.340 -0.000 0.000 0.283 1290 L C -0.607 176.258 176.870 -0.007 0.000 1.015 1290 L CA -0.001 54.846 54.840 0.012 0.000 0.831 1290 L CB 2.129 44.194 42.059 0.010 0.000 1.217 1290 L HN 0.758 nan 8.230 nan 0.000 0.420 1291 S N 2.968 118.662 115.700 -0.011 0.000 2.570 1291 S HA 0.807 5.277 4.470 -0.000 0.000 0.286 1291 S C -1.228 173.320 174.600 -0.086 0.000 1.099 1291 S CA -0.625 57.515 58.200 -0.099 0.000 0.913 1291 S CB 2.304 65.383 63.200 -0.201 0.000 1.085 1291 S HN 0.341 nan 8.310 nan 0.000 0.480 1292 V N 2.623 122.440 119.914 -0.162 0.000 2.577 1292 V HA 0.538 4.658 4.120 -0.000 0.000 0.303 1292 V C -1.634 174.392 176.094 -0.112 0.000 1.042 1292 V CA -0.591 61.692 62.300 -0.028 0.000 0.872 1292 V CB 1.295 33.148 31.823 0.049 0.000 0.998 1292 V HN 0.799 nan 8.190 nan 0.000 0.423 1293 F N 3.736 123.728 119.950 0.069 0.000 2.420 1293 F HA 0.569 5.096 4.527 -0.000 0.000 0.342 1293 F C 0.255 176.104 175.800 0.082 0.000 1.113 1293 F CA -0.893 57.142 58.000 0.058 0.000 1.059 1293 F CB 1.770 40.778 39.000 0.013 0.000 1.128 1293 F HN 0.130 nan 8.300 nan 0.000 0.475 1294 V N 3.911 123.995 119.914 0.283 0.000 2.239 1294 V HA 0.188 4.308 4.120 -0.000 0.000 0.267 1294 V C -0.366 175.831 176.094 0.171 0.000 1.056 1294 V CA -0.630 61.792 62.300 0.202 0.000 0.830 1294 V CB 0.350 32.292 31.823 0.199 0.000 1.090 1294 V HN 0.724 nan 8.190 nan 0.000 0.459 1295 E N 3.208 123.495 120.200 0.145 0.000 2.081 1295 E HA 0.497 4.847 4.350 -0.000 0.000 0.276 1295 E C -0.005 176.656 176.600 0.101 0.000 0.950 1295 E CA -0.338 56.139 56.400 0.129 0.000 0.776 1295 E CB 1.865 31.626 29.700 0.103 0.000 1.094 1295 E HN 0.492 nan 8.360 nan 0.000 0.402 1296 S N 2.558 118.348 115.700 0.148 0.000 2.671 1296 S HA 0.143 4.613 4.470 -0.000 0.000 0.272 1296 S C 0.348 175.043 174.600 0.159 0.000 1.174 1296 S CA -0.753 57.540 58.200 0.154 0.000 1.004 1296 S CB 0.843 64.155 63.200 0.186 0.000 1.077 1296 S HN 0.653 nan 8.310 nan 0.000 0.553 1297 E N 0.208 120.492 120.200 0.141 0.000 2.465 1297 E HA 0.372 4.722 4.350 -0.000 0.000 0.260 1297 E C 1.051 177.711 176.600 0.100 0.000 0.980 1297 E CA 1.040 57.498 56.400 0.097 0.000 0.927 1297 E CB -0.429 29.321 29.700 0.082 0.000 0.934 1297 E HN 1.012 nan 8.360 nan 0.000 0.459 1298 G N 3.980 112.774 108.800 -0.011 0.000 2.509 1298 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.259 1298 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.259 1298 G C -0.172 174.708 174.900 -0.033 0.000 1.169 1298 G CA -0.160 44.832 45.100 -0.181 0.000 0.953 1298 G HN 0.733 nan 8.290 nan 0.000 0.563 1299 F N 0.820 120.782 119.950 0.020 0.000 2.484 1299 F HA 0.296 4.823 4.527 -0.000 0.000 0.387 1299 F C 1.199 177.017 175.800 0.030 0.000 0.994 1299 F CA 0.708 58.722 58.000 0.022 0.000 1.223 1299 F CB 0.069 39.084 39.000 0.025 0.000 0.917 1299 F HN 0.785 nan 8.300 nan 0.000 0.572 1300 S N 3.607 119.436 115.700 0.216 0.000 2.542 1300 S HA 0.276 4.746 4.470 -0.000 0.000 0.245 1300 S C -0.626 174.050 174.600 0.127 0.000 1.325 1300 S CA -1.037 57.262 58.200 0.165 0.000 1.176 1300 S CB 0.076 63.352 63.200 0.126 0.000 1.045 1300 S HN 0.496 nan 8.310 nan 0.000 0.481 1301 K N 3.083 123.526 120.400 0.073 0.000 2.234 1301 K HA 0.303 4.623 4.320 -0.000 0.000 0.282 1301 K C -0.019 176.402 176.600 -0.298 0.000 1.039 1301 K CA -0.369 55.838 56.287 -0.135 0.000 0.928 1301 K CB 1.534 33.944 32.500 -0.151 0.000 1.039 1301 K HN 0.799 nan 8.250 nan 0.000 0.470 1302 E N 2.265 122.143 120.200 -0.536 0.000 2.187 1302 E HA 0.250 4.600 4.350 -0.000 0.000 0.268 1302 E C -1.565 174.559 176.600 -0.792 0.000 0.896 1302 E CA -0.639 55.371 56.400 -0.650 0.000 0.766 1302 E CB 0.861 30.228 29.700 -0.555 0.000 1.142 1302 E HN 0.438 nan 8.360 nan 0.000 0.408 1303 Y N 4.170 124.292 120.300 -0.296 0.000 2.646 1303 Y HA 0.224 4.774 4.550 -0.000 0.000 0.334 1303 Y C -0.376 175.411 175.900 -0.187 0.000 1.004 1303 Y CA -1.255 56.735 58.100 -0.184 0.000 1.301 1303 Y CB 1.119 39.505 38.460 -0.123 0.000 1.093 1303 Y HN 0.352 nan 8.280 nan 0.000 0.530 1304 K N 2.721 123.084 120.400 -0.062 0.000 2.416 1304 K HA 0.271 4.591 4.320 -0.000 0.000 0.283 1304 K C -0.904 175.687 176.600 -0.015 0.000 1.037 1304 K CA -0.318 55.930 56.287 -0.066 0.000 0.995 1304 K CB 1.207 33.664 32.500 -0.072 0.000 0.938 1304 K HN 0.343 nan 8.250 nan 0.000 0.475 1305 L N 4.412 125.624 121.223 -0.018 0.000 2.334 1305 L HA 0.299 4.638 4.340 -0.000 0.000 0.272 1305 L C -1.447 175.419 176.870 -0.007 0.000 1.020 1305 L CA -2.602 52.234 54.840 -0.007 0.000 0.812 1305 L CB 0.901 42.957 42.059 -0.006 0.000 1.264 1305 L HN 0.396 nan 8.230 nan 0.000 0.439 1306 P HA -0.239 nan 4.420 nan 0.000 0.218 1306 P C 0.826 178.125 177.300 -0.002 0.000 1.147 1306 P CA 1.567 64.665 63.100 -0.003 0.000 0.827 1306 P CB 0.245 31.944 31.700 -0.003 0.000 0.778 1307 K N -2.211 118.188 120.400 -0.001 0.000 3.159 1307 K HA -0.231 4.089 4.320 -0.000 0.000 0.417 1307 K C 0.754 177.355 176.600 0.002 0.000 0.448 1307 K CA 1.909 58.197 56.287 0.002 0.000 1.840 1307 K CB -2.324 30.178 32.500 0.003 0.000 0.822 1307 K HN 0.054 nan 8.250 nan 0.000 0.428 1308 D N 1.748 122.148 120.400 0.001 0.000 2.219 1308 D HA 0.097 4.737 4.640 -0.000 0.000 0.205 1308 D C 1.047 177.347 176.300 -0.000 0.000 0.970 1308 D CA 1.214 55.214 54.000 0.001 0.000 0.851 1308 D CB -0.362 40.438 40.800 0.000 0.000 0.943 1308 D HN 0.579 nan 8.370 nan 0.000 0.488 1309 A N 1.578 124.398 122.820 -0.001 0.000 2.584 1309 A HA -0.023 4.297 4.320 -0.000 0.000 0.239 1309 A C 0.500 178.083 177.584 -0.003 0.000 1.043 1309 A CA 0.034 52.069 52.037 -0.004 0.000 0.756 1309 A CB -0.153 18.843 19.000 -0.006 0.000 0.963 1309 A HN 0.214 nan 8.150 nan 0.000 0.511 1310 R N 3.392 123.890 120.500 -0.004 0.000 3.657 1310 R HA 0.383 4.723 4.340 -0.000 0.000 0.220 1310 R C -0.135 176.161 176.300 -0.006 0.000 1.548 1310 R CA -0.474 55.624 56.100 -0.003 0.000 1.465 1310 R CB -0.799 29.500 30.300 -0.003 0.000 1.330 1310 R HN 0.675 nan 8.270 nan 0.000 0.707 1311 L N -0.935 120.285 121.223 -0.006 0.000 2.506 1311 L HA 0.107 4.447 4.340 -0.000 0.000 0.281 1311 L C 0.063 176.929 176.870 -0.007 0.000 1.228 1311 L CA -0.352 54.482 54.840 -0.010 0.000 0.850 1311 L CB 0.331 42.387 42.059 -0.005 0.000 1.110 1311 L HN 0.303 nan 8.230 nan 0.000 0.496 1312 L N 4.098 125.314 121.223 -0.011 0.000 3.255 1312 L HA 0.457 4.797 4.340 -0.000 0.000 0.293 1312 L C -0.532 176.335 176.870 -0.005 0.000 1.302 1312 L CA 0.052 54.888 54.840 -0.006 0.000 0.977 1312 L CB 0.641 42.696 42.059 -0.007 0.000 1.390 1312 L HN 0.549 nan 8.230 nan 0.000 0.588 1313 V N -0.079 119.834 119.914 -0.003 0.000 2.482 1313 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 1313 V C 0.043 176.144 176.094 0.011 0.000 1.026 1313 V CA -1.015 61.287 62.300 0.004 0.000 0.856 1313 V CB 1.971 33.794 31.823 -0.000 0.000 1.001 1313 V HN 0.185 nan 8.190 nan 0.000 0.424 1314 K N 2.120 122.528 120.400 0.014 0.000 2.098 1314 K HA 0.333 4.653 4.320 -0.000 0.000 0.261 1314 K C 0.078 176.687 176.600 0.014 0.000 0.987 1314 K CA -0.674 55.623 56.287 0.015 0.000 0.916 1314 K CB 0.733 33.242 32.500 0.015 0.000 1.039 1314 K HN 0.685 nan 8.250 nan 0.000 0.455 1315 D N 0.622 121.031 120.400 0.015 0.000 2.548 1315 D HA -0.072 4.568 4.640 -0.000 0.000 0.231 1315 D C 1.069 177.363 176.300 -0.009 0.000 1.142 1315 D CA 2.196 56.201 54.000 0.008 0.000 0.866 1315 D CB 0.758 41.564 40.800 0.011 0.000 1.190 1315 D HN 0.733 nan 8.370 nan 0.000 0.469 1316 G N 3.817 112.594 108.800 -0.039 0.000 2.336 1316 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.233 1316 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.233 1316 G C 0.303 175.125 174.900 -0.129 0.000 1.053 1316 G CA 0.244 45.294 45.100 -0.084 0.000 0.625 1316 G HN 0.650 nan 8.290 nan 0.000 0.511 1317 D N 0.815 121.191 120.400 -0.040 0.000 2.571 1317 D HA 0.199 4.839 4.640 -0.000 0.000 0.231 1317 D C 0.360 176.641 176.300 -0.033 0.000 1.133 1317 D CA 0.636 54.647 54.000 0.019 0.000 0.862 1317 D CB 0.203 41.025 40.800 0.036 0.000 1.179 1317 D HN 0.311 nan 8.370 nan 0.000 0.474 1318 Y N 0.606 120.917 120.300 0.019 0.000 2.301 1318 Y HA 0.337 4.887 4.550 -0.000 0.000 0.328 1318 Y C 0.883 176.790 175.900 0.013 0.000 1.242 1318 Y CA -0.276 57.836 58.100 0.019 0.000 1.323 1318 Y CB 1.031 39.501 38.460 0.016 0.000 1.266 1318 Y HN 0.030 nan 8.280 nan 0.000 0.527 1319 V N 1.734 121.738 119.914 0.150 0.000 3.141 1319 V HA 0.377 4.497 4.120 -0.000 0.000 0.312 1319 V C -0.753 175.373 176.094 0.053 0.000 1.157 1319 V CA -0.877 61.466 62.300 0.072 0.000 1.041 1319 V CB 2.379 34.220 31.823 0.031 0.000 1.071 1319 V HN 0.737 nan 8.190 nan 0.000 0.441 1320 E N 0.948 121.157 120.200 0.016 0.000 2.263 1320 E HA 0.626 4.976 4.350 -0.000 0.000 0.264 1320 E C -0.513 176.074 176.600 -0.022 0.000 0.923 1320 E CA -0.719 55.682 56.400 0.002 0.000 0.802 1320 E CB 2.080 31.777 29.700 -0.004 0.000 1.228 1320 E HN 0.816 nan 8.360 nan 0.000 0.417 1321 A N 1.146 123.951 122.820 -0.025 0.000 2.752 1321 A HA 0.369 4.689 4.320 -0.000 0.000 0.292 1321 A C 0.935 178.489 177.584 -0.051 0.000 1.597 1321 A CA 1.040 53.054 52.037 -0.039 0.000 1.241 1321 A CB -1.370 17.611 19.000 -0.033 0.000 1.061 1321 A HN 0.766 nan 8.150 nan 0.000 0.576 1322 G N 0.848 109.606 108.800 -0.069 0.000 2.148 1322 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.203 1322 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.203 1322 G C 0.196 175.030 174.900 -0.109 0.000 0.993 1322 G CA 0.139 45.183 45.100 -0.093 0.000 0.661 1322 G HN 0.850 nan 8.290 nan 0.000 0.518 1323 Q N 0.787 120.531 119.800 -0.093 0.000 2.332 1323 Q HA 0.355 4.695 4.340 -0.000 0.000 0.263 1323 Q C -2.272 173.659 176.000 -0.116 0.000 0.979 1323 Q CA -1.452 54.300 55.803 -0.085 0.000 0.885 1323 Q CB 0.938 29.644 28.738 -0.052 0.000 1.218 1323 Q HN 0.192 nan 8.270 nan 0.000 0.405 1324 P HA -0.041 nan 4.420 nan 0.000 0.271 1324 P C -0.283 176.956 177.300 -0.100 0.000 1.220 1324 P CA -0.048 62.986 63.100 -0.110 0.000 0.768 1324 P CB 0.702 32.355 31.700 -0.077 0.000 0.848 1325 L N 3.048 124.193 121.223 -0.131 0.000 2.357 1325 L HA 0.072 4.412 4.340 -0.000 0.000 0.211 1325 L C 1.590 178.418 176.870 -0.070 0.000 1.075 1325 L CA 1.977 56.751 54.840 -0.111 0.000 0.830 1325 L CB -0.882 41.071 42.059 -0.176 0.000 0.996 1325 L HN 0.294 nan 8.230 nan 0.000 0.467 1326 T N -2.701 111.811 114.554 -0.070 0.000 2.955 1326 T HA 0.346 4.696 4.350 -0.000 0.000 0.251 1326 T C 0.827 175.509 174.700 -0.030 0.000 1.002 1326 T CA -0.110 61.962 62.100 -0.046 0.000 0.970 1326 T CB 1.289 70.127 68.868 -0.049 0.000 1.091 1326 T HN 0.076 nan 8.240 nan 0.000 0.495 1327 R N -0.557 119.925 120.500 -0.030 0.000 4.129 1327 R HA 0.060 4.400 4.340 -0.000 0.000 0.108 1327 R C 0.688 176.981 176.300 -0.012 0.000 0.250 1327 R CA 0.142 56.232 56.100 -0.016 0.000 0.592 1327 R CB -1.543 28.751 30.300 -0.010 0.000 1.006 1327 R HN 0.605 nan 8.270 nan 0.000 0.554 1328 G N 0.230 109.027 108.800 -0.005 0.000 2.595 1328 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.382 1328 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.382 1328 G C 0.067 174.976 174.900 0.015 0.000 1.327 1328 G CA 0.937 46.038 45.100 0.001 0.000 0.916 1328 G HN 1.180 nan 8.290 nan 0.000 0.547 1329 A N -1.186 121.647 122.820 0.022 0.000 2.259 1329 A HA 0.746 5.066 4.320 -0.000 0.000 0.278 1329 A C 0.259 177.864 177.584 0.035 0.000 1.107 1329 A CA -0.042 52.027 52.037 0.053 0.000 0.828 1329 A CB 0.550 19.580 19.000 0.050 0.000 1.111 1329 A HN 1.080 nan 8.150 nan 0.000 0.498 1330 I N 0.333 120.941 120.570 0.064 0.000 2.465 1330 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 1330 I C -0.704 175.392 176.117 -0.035 0.000 1.014 1330 I CA -0.618 60.642 61.300 -0.067 0.000 1.093 1330 I CB 1.900 39.713 38.000 -0.312 0.000 1.267 1330 I HN 0.629 nan 8.210 nan 0.000 0.431 1331 D N 8.471 128.844 120.400 -0.045 0.000 2.412 1331 D HA 0.063 4.703 4.640 -0.000 0.000 0.257 1331 D C -1.816 174.459 176.300 -0.043 0.000 1.217 1331 D CA -1.517 52.480 54.000 -0.005 0.000 0.897 1331 D CB 1.454 42.261 40.800 0.011 0.000 1.132 1331 D HN 0.196 nan 8.370 nan 0.000 0.493 1332 P HA -0.037 nan 4.420 nan 0.000 0.237 1332 P C 0.800 178.011 177.300 -0.149 0.000 1.178 1332 P CA 0.636 63.693 63.100 -0.072 0.000 0.766 1332 P CB 0.258 31.934 31.700 -0.041 0.000 0.876 1333 H N -0.700 118.371 119.070 0.002 0.000 2.431 1333 H HA 0.135 4.691 4.556 -0.000 0.000 0.295 1333 H C 1.807 177.128 175.328 -0.011 0.000 1.038 1333 H CA 1.005 57.055 56.048 0.003 0.000 1.360 1333 H CB -0.087 29.681 29.762 0.010 0.000 1.433 1333 H HN 0.235 nan 8.280 nan 0.000 0.536 1334 Q N 0.157 120.009 119.800 0.088 0.000 2.170 1334 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 1334 Q C 2.192 178.180 176.000 -0.020 0.000 0.976 1334 Q CA 0.880 56.697 55.803 0.023 0.000 0.858 1334 Q CB 0.064 28.797 28.738 -0.008 0.000 0.907 1334 Q HN 0.152 nan 8.270 nan 0.000 0.433 1335 L N 0.329 121.517 121.223 -0.059 0.000 2.109 1335 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 1335 L C 1.970 178.812 176.870 -0.047 0.000 1.086 1335 L CA 1.096 55.880 54.840 -0.094 0.000 0.760 1335 L CB -0.545 41.408 42.059 -0.176 0.000 0.910 1335 L HN 0.210 nan 8.230 nan 0.000 0.437 1336 L N 0.151 121.360 121.223 -0.022 0.000 1.955 1336 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 1336 L C 2.614 179.497 176.870 0.021 0.000 1.072 1336 L CA 2.483 57.325 54.840 0.003 0.000 0.755 1336 L CB -1.106 40.967 42.059 0.023 0.000 0.888 1336 L HN 0.575 nan 8.230 nan 0.000 0.432 1337 E N 0.072 120.294 120.200 0.036 0.000 2.106 1337 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 1337 E C 1.855 178.465 176.600 0.018 0.000 0.984 1337 E CA 1.418 57.841 56.400 0.037 0.000 0.806 1337 E CB -0.316 29.412 29.700 0.047 0.000 0.750 1337 E HN 0.589 nan 8.360 nan 0.000 0.458 1338 A N 0.695 123.516 122.820 0.001 0.000 2.014 1338 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 1338 A C 1.936 179.509 177.584 -0.017 0.000 1.163 1338 A CA 1.630 53.659 52.037 -0.014 0.000 0.652 1338 A CB -0.006 18.974 19.000 -0.032 0.000 0.808 1338 A HN 0.142 nan 8.150 nan 0.000 0.449 1339 K N -1.659 118.732 120.400 -0.016 0.000 2.788 1339 K HA 0.373 4.693 4.320 -0.000 0.000 0.190 1339 K C 0.278 176.876 176.600 -0.003 0.000 1.143 1339 K CA 0.578 56.856 56.287 -0.016 0.000 1.099 1339 K CB -0.232 32.247 32.500 -0.035 0.000 0.767 1339 K HN 1.065 nan 8.250 nan 0.000 0.466 1340 G N 1.134 109.940 108.800 0.010 0.000 2.782 1340 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 1340 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 1340 G C -2.168 172.743 174.900 0.018 0.000 1.372 1340 G CA -0.258 44.856 45.100 0.023 0.000 0.862 1340 G HN 0.058 nan 8.290 nan 0.000 0.547 1341 P HA 0.130 nan 4.420 nan 0.000 0.224 1341 P C 1.265 178.572 177.300 0.012 0.000 1.159 1341 P CA 1.426 64.535 63.100 0.015 0.000 0.824 1341 P CB 0.178 31.887 31.700 0.015 0.000 0.833 1342 E N 0.828 121.038 120.200 0.017 0.000 2.047 1342 E HA -0.076 4.273 4.350 -0.000 0.000 0.191 1342 E C 2.257 178.870 176.600 0.022 0.000 0.987 1342 E CA 1.312 57.722 56.400 0.017 0.000 0.799 1342 E CB -0.820 28.891 29.700 0.018 0.000 0.752 1342 E HN 0.118 nan 8.360 nan 0.000 0.449 1343 A N 1.153 123.984 122.820 0.019 0.000 1.978 1343 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 1343 A C 2.471 180.079 177.584 0.040 0.000 1.170 1343 A CA 1.136 53.186 52.037 0.022 0.000 0.636 1343 A CB -0.709 18.292 19.000 0.001 0.000 0.810 1343 A HN 0.121 nan 8.150 nan 0.000 0.448 1344 V N -0.080 119.850 119.914 0.027 0.000 2.216 1344 V HA -0.306 3.814 4.120 -0.000 0.000 0.243 1344 V C 2.375 178.511 176.094 0.069 0.000 1.044 1344 V CA 2.416 64.740 62.300 0.041 0.000 0.995 1344 V CB -0.942 30.882 31.823 0.001 0.000 0.633 1344 V HN 0.688 nan 8.190 nan 0.000 0.446 1345 E N -0.237 119.986 120.200 0.037 0.000 2.136 1345 E HA -0.291 4.059 4.350 -0.000 0.000 0.208 1345 E C 2.347 178.969 176.600 0.038 0.000 1.035 1345 E CA 1.657 58.076 56.400 0.031 0.000 0.838 1345 E CB -0.236 29.475 29.700 0.019 0.000 0.748 1345 E HN 0.420 nan 8.360 nan 0.000 0.459 1346 R N -0.418 120.112 120.500 0.050 0.000 2.189 1346 R HA -0.107 4.233 4.340 -0.000 0.000 0.218 1346 R C 2.067 178.412 176.300 0.075 0.000 1.074 1346 R CA 0.823 56.952 56.100 0.048 0.000 0.991 1346 R CB -0.448 29.878 30.300 0.044 0.000 0.883 1346 R HN 0.355 nan 8.270 nan 0.000 0.457 1347 Y N 1.373 121.653 120.300 -0.032 0.000 2.153 1347 Y HA -0.135 4.415 4.550 -0.000 0.000 0.289 1347 Y C 2.036 177.903 175.900 -0.054 0.000 1.127 1347 Y CA 0.979 59.055 58.100 -0.041 0.000 1.131 1347 Y CB -0.356 38.077 38.460 -0.045 0.000 0.995 1347 Y HN -0.196 nan 8.280 nan 0.000 0.505 1348 L N -0.395 120.792 121.223 -0.060 0.000 1.978 1348 L HA -0.256 4.084 4.340 -0.000 0.000 0.218 1348 L C 2.590 179.334 176.870 -0.210 0.000 1.075 1348 L CA 1.699 56.440 54.840 -0.165 0.000 0.767 1348 L CB -1.761 40.264 42.059 -0.056 0.000 0.890 1348 L HN 0.174 nan 8.230 nan 0.000 0.434 1349 V N -0.410 119.438 119.914 -0.109 0.000 2.295 1349 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 1349 V C 2.305 178.332 176.094 -0.110 0.000 1.049 1349 V CA 1.936 64.189 62.300 -0.078 0.000 1.024 1349 V CB -0.500 31.313 31.823 -0.016 0.000 0.648 1349 V HN 0.469 nan 8.190 nan 0.000 0.447 1350 D N -0.943 119.382 120.400 -0.125 0.000 2.310 1350 D HA -0.117 4.523 4.640 -0.000 0.000 0.212 1350 D C 2.143 178.326 176.300 -0.195 0.000 0.965 1350 D CA 0.676 54.601 54.000 -0.124 0.000 0.879 1350 D CB 0.258 41.006 40.800 -0.086 0.000 0.921 1350 D HN 0.452 nan 8.370 nan 0.000 0.510 1351 E N 0.219 120.220 120.200 -0.332 0.000 2.057 1351 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 1351 E C 2.507 178.957 176.600 -0.249 0.000 0.969 1351 E CA -0.020 56.155 56.400 -0.375 0.000 0.812 1351 E CB -0.135 29.168 29.700 -0.662 0.000 0.777 1351 E HN 0.344 nan 8.360 nan 0.000 0.455 1352 I N 1.790 122.201 120.570 -0.264 0.000 2.145 1352 I HA -0.338 3.831 4.170 -0.000 0.000 0.244 1352 I C 2.561 178.680 176.117 0.003 0.000 1.075 1352 I CA 1.358 62.537 61.300 -0.202 0.000 1.332 1352 I CB -0.191 37.613 38.000 -0.327 0.000 1.033 1352 I HN 0.067 nan 8.210 nan 0.000 0.410 1353 Q N 0.296 120.101 119.800 0.008 0.000 2.172 1353 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 1353 Q C 2.155 178.177 176.000 0.037 0.000 0.964 1353 Q CA 1.105 56.958 55.803 0.083 0.000 0.855 1353 Q CB -0.219 28.532 28.738 0.021 0.000 0.918 1353 Q HN 0.468 nan 8.270 nan 0.000 0.444 1354 K N 0.180 120.554 120.400 -0.042 0.000 2.218 1354 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 1354 K C 1.900 178.471 176.600 -0.050 0.000 1.046 1354 K CA 1.235 57.489 56.287 -0.055 0.000 0.933 1354 K CB 0.222 32.665 32.500 -0.094 0.000 0.728 1354 K HN 0.068 nan 8.250 nan 0.000 0.454 1355 V N -1.326 118.545 119.914 -0.072 0.000 2.374 1355 V HA -0.135 3.985 4.120 -0.000 0.000 0.241 1355 V C 1.728 177.766 176.094 -0.093 0.000 1.034 1355 V CA 0.998 63.227 62.300 -0.118 0.000 1.037 1355 V CB -1.023 30.668 31.823 -0.220 0.000 0.682 1355 V HN 0.153 nan 8.190 nan 0.000 0.463 1356 Y N 0.900 121.184 120.300 -0.026 0.000 2.151 1356 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 1356 Y C 2.878 178.772 175.900 -0.011 0.000 1.166 1356 Y CA 2.240 60.336 58.100 -0.007 0.000 1.163 1356 Y CB -0.379 38.086 38.460 0.008 0.000 0.974 1356 Y HN 0.090 nan 8.280 nan 0.000 0.511 1357 R N 0.113 120.695 120.500 0.137 0.000 2.082 1357 R HA -0.157 4.183 4.340 -0.000 0.000 0.228 1357 R C 2.568 178.886 176.300 0.030 0.000 1.140 1357 R CA 1.518 57.656 56.100 0.063 0.000 0.920 1357 R CB -1.094 29.226 30.300 0.034 0.000 0.828 1357 R HN 0.290 nan 8.270 nan 0.000 0.430 1358 A N 0.060 122.884 122.820 0.007 0.000 2.023 1358 A HA -0.345 3.975 4.320 -0.000 0.000 0.223 1358 A C 2.057 179.637 177.584 -0.006 0.000 1.180 1358 A CA 2.189 54.220 52.037 -0.009 0.000 0.659 1358 A CB -0.602 18.382 19.000 -0.027 0.000 0.817 1358 A HN 0.407 nan 8.150 nan 0.000 0.466 1359 Q N -2.478 117.321 119.800 -0.002 0.000 1.967 1359 Q HA 0.325 4.665 4.340 -0.000 0.000 0.196 1359 Q C 1.708 177.718 176.000 0.016 0.000 0.978 1359 Q CA 2.202 58.005 55.803 -0.001 0.000 0.833 1359 Q CB -0.168 28.564 28.738 -0.011 0.000 0.898 1359 Q HN 0.589 nan 8.270 nan 0.000 0.446 1360 G N -2.059 106.763 108.800 0.038 0.000 3.812 1360 G HA2 0.103 4.063 3.960 -0.000 0.000 0.149 1360 G HA3 0.103 4.063 3.960 -0.000 0.000 0.149 1360 G C -0.684 174.250 174.900 0.057 0.000 1.225 1360 G CA 0.171 45.294 45.100 0.038 0.000 0.812 1360 G HN 0.181 nan 8.290 nan 0.000 0.753 1361 V N 1.617 121.589 119.914 0.098 0.000 2.740 1361 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 1361 V C 0.295 176.437 176.094 0.080 0.000 1.054 1361 V CA 0.119 62.490 62.300 0.118 0.000 1.106 1361 V CB 1.328 33.304 31.823 0.256 0.000 0.957 1361 V HN 0.336 nan 8.190 nan 0.000 0.486 1362 K N 5.345 125.768 120.400 0.038 0.000 2.507 1362 K HA 0.669 4.989 4.320 -0.000 0.000 0.253 1362 K C -1.138 175.459 176.600 -0.005 0.000 0.969 1362 K CA -0.663 55.632 56.287 0.012 0.000 0.908 1362 K CB 1.006 33.510 32.500 0.007 0.000 1.127 1362 K HN 0.666 nan 8.250 nan 0.000 0.437 1363 L N -0.099 121.108 121.223 -0.027 0.000 2.371 1363 L HA 0.564 4.904 4.340 -0.000 0.000 0.262 1363 L C -0.340 176.559 176.870 0.048 0.000 1.006 1363 L CA -1.020 53.828 54.840 0.014 0.000 0.818 1363 L CB 1.378 43.404 42.059 -0.055 0.000 1.354 1363 L HN 0.483 nan 8.230 nan 0.000 0.415 1364 H N 1.054 120.156 119.070 0.053 0.000 2.871 1364 H HA 0.068 4.624 4.556 -0.000 0.000 0.355 1364 H C -0.149 175.138 175.328 -0.067 0.000 1.092 1364 H CA 0.640 56.662 56.048 -0.043 0.000 1.420 1364 H CB 1.342 31.011 29.762 -0.156 0.000 1.400 1364 H HN 0.849 nan 8.280 nan 0.000 0.604 1365 D N 3.608 124.114 120.400 0.177 0.000 2.117 1365 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 1365 D C 1.939 178.300 176.300 0.101 0.000 0.987 1365 D CA 1.638 55.709 54.000 0.119 0.000 0.829 1365 D CB 0.165 41.001 40.800 0.061 0.000 0.961 1365 D HN 0.628 nan 8.370 nan 0.000 0.460 1366 K N 0.335 120.783 120.400 0.080 0.000 2.077 1366 K HA -0.244 4.076 4.320 -0.000 0.000 0.213 1366 K C 1.981 178.513 176.600 -0.114 0.000 1.051 1366 K CA 1.440 57.649 56.287 -0.130 0.000 0.929 1366 K CB -0.721 31.562 32.500 -0.362 0.000 0.715 1366 K HN 0.283 nan 8.250 nan 0.000 0.451 1367 H N 1.003 120.080 119.070 0.012 0.000 2.265 1367 H HA -0.132 4.424 4.556 -0.000 0.000 0.293 1367 H C 2.357 177.709 175.328 0.040 0.000 1.089 1367 H CA 1.954 58.002 56.048 0.001 0.000 1.244 1367 H CB -0.599 29.154 29.762 -0.014 0.000 1.355 1367 H HN 0.198 nan 8.280 nan 0.000 0.485 1368 I N 0.923 121.611 120.570 0.197 0.000 2.286 1368 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 1368 I C 2.462 178.684 176.117 0.176 0.000 1.115 1368 I CA 1.064 62.508 61.300 0.240 0.000 1.392 1368 I CB -0.237 37.883 38.000 0.199 0.000 1.065 1368 I HN 0.279 nan 8.210 nan 0.000 0.418 1369 E N 1.067 121.325 120.200 0.096 0.000 2.012 1369 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 1369 E C 2.340 178.969 176.600 0.047 0.000 1.007 1369 E CA 1.480 57.913 56.400 0.056 0.000 0.816 1369 E CB -0.156 29.557 29.700 0.021 0.000 0.762 1369 E HN 0.381 nan 8.360 nan 0.000 0.451 1370 I N 0.960 121.546 120.570 0.027 0.000 2.147 1370 I HA -0.373 3.797 4.170 -0.000 0.000 0.245 1370 I C 2.430 178.559 176.117 0.020 0.000 1.059 1370 I CA 1.392 62.700 61.300 0.013 0.000 1.320 1370 I CB -0.503 37.507 38.000 0.016 0.000 1.021 1370 I HN 0.069 nan 8.210 nan 0.000 0.415 1371 V N 0.153 120.095 119.914 0.047 0.000 2.270 1371 V HA -0.233 3.886 4.120 -0.000 0.000 0.245 1371 V C 2.400 178.545 176.094 0.084 0.000 1.043 1371 V CA 1.512 63.833 62.300 0.034 0.000 1.014 1371 V CB -0.340 31.465 31.823 -0.030 0.000 0.645 1371 V HN 0.213 nan 8.190 nan 0.000 0.447 1372 V N 0.829 120.832 119.914 0.147 0.000 2.278 1372 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 1372 V C 2.719 178.843 176.094 0.052 0.000 1.062 1372 V CA 2.662 65.037 62.300 0.124 0.000 1.038 1372 V CB -0.880 31.006 31.823 0.106 0.000 0.646 1372 V HN 0.602 nan 8.190 nan 0.000 0.447 1373 R N -0.177 120.336 120.500 0.022 0.000 2.117 1373 R HA -0.237 4.103 4.340 -0.000 0.000 0.243 1373 R C 2.153 178.426 176.300 -0.044 0.000 1.143 1373 R CA 1.990 58.079 56.100 -0.018 0.000 0.968 1373 R CB -0.362 29.921 30.300 -0.029 0.000 0.863 1373 R HN 0.547 nan 8.270 nan 0.000 0.444 1374 Q N 0.342 120.124 119.800 -0.031 0.000 2.170 1374 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 1374 Q C 2.148 178.134 176.000 -0.025 0.000 0.976 1374 Q CA 1.507 57.279 55.803 -0.052 0.000 0.858 1374 Q CB -0.200 28.523 28.738 -0.026 0.000 0.907 1374 Q HN 0.531 nan 8.270 nan 0.000 0.433 1375 M N -0.360 119.254 119.600 0.023 0.000 2.530 1375 M HA -0.092 4.388 4.480 -0.000 0.000 0.261 1375 M C 1.070 177.386 176.300 0.027 0.000 1.067 1375 M CA 0.868 56.199 55.300 0.051 0.000 1.071 1375 M CB -0.022 32.620 32.600 0.071 0.000 1.405 1375 M HN 0.053 nan 8.290 nan 0.000 0.478 1376 L N -0.569 120.637 121.223 -0.029 0.000 2.906 1376 L HA 0.143 4.483 4.340 -0.000 0.000 0.255 1376 L C 1.836 178.613 176.870 -0.154 0.000 1.166 1376 L CA 0.416 55.220 54.840 -0.060 0.000 0.977 1376 L CB -0.413 41.613 42.059 -0.055 0.000 1.313 1376 L HN 0.265 nan 8.230 nan 0.000 0.549 1377 K N 0.401 120.645 120.400 -0.261 0.000 2.127 1377 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 1377 K C -0.151 176.046 176.600 -0.672 0.000 1.047 1377 K CA 1.614 57.561 56.287 -0.567 0.000 0.927 1377 K CB 0.116 32.063 32.500 -0.922 0.000 0.716 1377 K HN 0.123 nan 8.250 nan 0.000 0.450 1378 Y N -0.843 119.398 120.300 -0.099 0.000 2.587 1378 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 1378 Y C -0.365 175.448 175.900 -0.145 0.000 1.065 1378 Y CA -1.449 56.584 58.100 -0.112 0.000 1.126 1378 Y CB 1.811 40.233 38.460 -0.064 0.000 1.279 1378 Y HN -0.240 nan 8.280 nan 0.000 0.489 1379 V N -1.716 118.201 119.914 0.005 0.000 2.932 1379 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 1379 V C -0.969 175.147 176.094 0.036 0.000 1.147 1379 V CA -1.208 61.049 62.300 -0.072 0.000 0.951 1379 V CB 1.794 33.381 31.823 -0.393 0.000 1.031 1379 V HN 0.850 nan 8.190 nan 0.000 0.426 1380 E N 2.027 122.273 120.200 0.077 0.000 2.249 1380 E HA 0.550 4.900 4.350 -0.000 0.000 0.280 1380 E C -0.850 175.840 176.600 0.150 0.000 1.016 1380 E CA -0.599 55.859 56.400 0.097 0.000 0.830 1380 E CB 1.995 31.740 29.700 0.074 0.000 1.081 1380 E HN 0.701 nan 8.360 nan 0.000 0.395 1381 V N 3.602 123.597 119.914 0.134 0.000 2.614 1381 V HA 0.139 4.259 4.120 -0.000 0.000 0.291 1381 V C 0.236 176.395 176.094 0.109 0.000 1.049 1381 V CA -0.068 62.321 62.300 0.147 0.000 1.038 1381 V CB 1.077 32.970 31.823 0.116 0.000 0.980 1381 V HN 0.796 nan 8.190 nan 0.000 0.481 1382 T N 0.991 115.606 114.554 0.103 0.000 2.892 1382 T HA 0.510 4.860 4.350 -0.000 0.000 0.311 1382 T C -0.658 174.064 174.700 0.038 0.000 1.033 1382 T CA -0.569 61.568 62.100 0.062 0.000 0.991 1382 T CB 0.782 69.684 68.868 0.058 0.000 0.981 1382 T HN 0.802 nan 8.240 nan 0.000 0.457 1383 D N 2.795 123.214 120.400 0.031 0.000 4.693 1383 D HA -0.098 4.542 4.640 -0.000 0.000 0.242 1383 D C -2.598 173.714 176.300 0.019 0.000 1.084 1383 D CA 0.036 54.047 54.000 0.018 0.000 1.227 1383 D CB 0.142 40.944 40.800 0.005 0.000 0.779 1383 D HN 0.430 nan 8.370 nan 0.000 0.380 1384 P HA 0.522 nan 4.420 nan 0.000 0.301 1384 P C 0.630 177.942 177.300 0.021 0.000 1.309 1384 P CA 0.195 63.314 63.100 0.032 0.000 0.782 1384 P CB 1.074 32.797 31.700 0.039 0.000 1.282 1385 G N -1.225 107.591 108.800 0.025 0.000 2.834 1385 G HA2 0.017 3.977 3.960 -0.000 0.000 0.198 1385 G HA3 0.017 3.977 3.960 -0.000 0.000 0.198 1385 G C 0.768 175.681 174.900 0.022 0.000 1.070 1385 G CA 0.728 45.840 45.100 0.019 0.000 0.771 1385 G HN 0.577 nan 8.290 nan 0.000 0.601 1386 D N -0.214 120.203 120.400 0.029 0.000 3.154 1386 D HA 0.217 4.857 4.640 -0.000 0.000 0.278 1386 D C 1.434 177.751 176.300 0.028 0.000 1.460 1386 D CA 0.235 54.252 54.000 0.027 0.000 1.114 1386 D CB 0.374 41.192 40.800 0.031 0.000 1.151 1386 D HN 0.143 nan 8.370 nan 0.000 0.376 1387 S N -0.195 115.525 115.700 0.034 0.000 2.626 1387 S HA 0.544 5.014 4.470 -0.000 0.000 0.257 1387 S C 0.477 175.096 174.600 0.031 0.000 1.288 1387 S CA -0.220 57.999 58.200 0.033 0.000 0.980 1387 S CB 0.525 63.748 63.200 0.039 0.000 0.975 1387 S HN 0.494 nan 8.310 nan 0.000 0.577 1388 R N 0.608 121.125 120.500 0.028 0.000 2.679 1388 R HA 0.207 4.546 4.340 -0.000 0.000 0.268 1388 R C 1.011 177.331 176.300 0.033 0.000 1.044 1388 R CA 0.599 56.715 56.100 0.026 0.000 1.105 1388 R CB -1.212 29.101 30.300 0.022 0.000 0.989 1388 R HN 0.768 nan 8.270 nan 0.000 0.447 1389 L N -0.014 121.227 121.223 0.030 0.000 2.622 1389 L HA 0.171 4.511 4.340 -0.000 0.000 0.233 1389 L C 1.171 178.066 176.870 0.041 0.000 1.156 1389 L CA 1.317 56.178 54.840 0.036 0.000 0.866 1389 L CB 0.047 42.123 42.059 0.029 0.000 0.980 1389 L HN 0.640 nan 8.230 nan 0.000 0.448 1390 L N -1.369 119.876 121.223 0.037 0.000 2.672 1390 L HA 0.334 4.674 4.340 -0.000 0.000 0.236 1390 L C 1.048 177.941 176.870 0.039 0.000 1.092 1390 L CA -0.141 54.721 54.840 0.037 0.000 0.887 1390 L CB -0.129 41.946 42.059 0.026 0.000 1.168 1390 L HN 0.177 nan 8.230 nan 0.000 0.502 1391 E N 1.281 121.505 120.200 0.040 0.000 2.398 1391 E HA 0.194 4.544 4.350 -0.000 0.000 0.263 1391 E C 0.258 176.884 176.600 0.044 0.000 1.046 1391 E CA -0.108 56.313 56.400 0.034 0.000 0.908 1391 E CB 0.918 30.638 29.700 0.032 0.000 0.963 1391 E HN 0.187 nan 8.360 nan 0.000 0.431 1392 G N 2.277 111.091 108.800 0.023 0.000 2.403 1392 G HA2 0.198 4.158 3.960 -0.000 0.000 0.259 1392 G HA3 0.198 4.158 3.960 -0.000 0.000 0.259 1392 G C -0.587 174.344 174.900 0.051 0.000 1.244 1392 G CA -0.134 44.981 45.100 0.025 0.000 0.849 1392 G HN 0.306 nan 8.290 nan 0.000 0.532 1393 Q N 1.037 120.894 119.800 0.095 0.000 2.359 1393 Q HA 0.432 4.772 4.340 -0.000 0.000 0.274 1393 Q C -0.332 175.751 176.000 0.139 0.000 1.074 1393 Q CA -0.634 55.240 55.803 0.118 0.000 0.810 1393 Q CB 2.262 31.055 28.738 0.093 0.000 1.342 1393 Q HN 0.441 nan 8.270 nan 0.000 0.427 1394 V N 5.457 125.470 119.914 0.165 0.000 2.644 1394 V HA -0.108 4.012 4.120 -0.000 0.000 0.305 1394 V C 1.822 177.837 176.094 -0.131 0.000 1.053 1394 V CA 0.628 62.920 62.300 -0.013 0.000 1.186 1394 V CB 0.049 31.853 31.823 -0.031 0.000 0.895 1394 V HN 0.956 nan 8.190 nan 0.000 0.490 1395 L N 3.392 124.456 121.223 -0.265 0.000 2.034 1395 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 1395 L C 2.482 179.213 176.870 -0.232 0.000 1.077 1395 L CA 2.552 57.167 54.840 -0.374 0.000 0.769 1395 L CB -0.051 41.782 42.059 -0.376 0.000 0.890 1395 L HN 0.953 nan 8.230 nan 0.000 0.435 1396 E N -0.341 119.774 120.200 -0.141 0.000 2.072 1396 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 1396 E C 1.861 178.456 176.600 -0.007 0.000 0.982 1396 E CA 1.232 57.596 56.400 -0.060 0.000 0.803 1396 E CB -0.019 29.647 29.700 -0.057 0.000 0.755 1396 E HN 0.316 nan 8.360 nan 0.000 0.453 1397 K N -0.971 119.424 120.400 -0.007 0.000 2.504 1397 K HA -0.101 4.219 4.320 -0.000 0.000 0.195 1397 K C 2.150 178.790 176.600 0.067 0.000 1.036 1397 K CA 1.042 57.348 56.287 0.031 0.000 0.984 1397 K CB -0.457 32.064 32.500 0.035 0.000 0.788 1397 K HN 0.510 nan 8.250 nan 0.000 0.488 1398 W N 1.946 123.297 121.300 0.085 0.000 2.576 1398 W HA 0.027 4.687 4.660 -0.000 0.000 0.275 1398 W C 1.615 178.290 176.519 0.261 0.000 1.241 1398 W CA 0.522 57.986 57.345 0.199 0.000 1.328 1398 W CB -0.418 29.214 29.460 0.288 0.000 1.092 1398 W HN 0.032 nan 8.180 nan 0.000 0.586 1399 D N 0.172 120.707 120.400 0.223 0.000 2.178 1399 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 1399 D C 2.062 178.428 176.300 0.109 0.000 0.974 1399 D CA 1.903 56.016 54.000 0.187 0.000 0.841 1399 D CB -0.357 40.531 40.800 0.147 0.000 0.953 1399 D HN 0.206 nan 8.370 nan 0.000 0.478 1400 V N 0.781 120.746 119.914 0.085 0.000 3.284 1400 V HA -0.170 3.950 4.120 -0.000 0.000 0.273 1400 V C 2.089 178.221 176.094 0.063 0.000 1.178 1400 V CA 2.220 64.556 62.300 0.061 0.000 1.177 1400 V CB -0.716 31.137 31.823 0.049 0.000 0.793 1400 V HN 0.376 nan 8.190 nan 0.000 0.536 1401 E N -1.264 118.986 120.200 0.082 0.000 2.502 1401 E HA 0.397 4.747 4.350 -0.000 0.000 0.206 1401 E C 1.904 178.540 176.600 0.061 0.000 0.821 1401 E CA 0.817 57.258 56.400 0.070 0.000 1.354 1401 E CB -0.291 29.457 29.700 0.080 0.000 1.336 1401 E HN 0.498 nan 8.360 nan 0.000 0.675 1402 A N 0.366 123.236 122.820 0.083 0.000 1.841 1402 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 1402 A C 2.053 179.650 177.584 0.022 0.000 1.195 1402 A CA 1.576 53.636 52.037 0.038 0.000 0.611 1402 A CB -0.401 18.623 19.000 0.040 0.000 0.835 1402 A HN 0.518 nan 8.150 nan 0.000 0.443 1403 L N 0.148 121.397 121.223 0.043 0.000 2.672 1403 L HA 0.187 4.527 4.340 -0.000 0.000 0.236 1403 L C 1.372 178.259 176.870 0.028 0.000 1.186 1403 L CA 0.255 55.113 54.840 0.030 0.000 0.977 1403 L CB -0.364 41.718 42.059 0.039 0.000 1.203 1403 L HN 0.457 nan 8.230 nan 0.000 0.448 1404 N N -1.226 117.492 118.700 0.029 0.000 2.564 1404 N HA 0.003 4.743 4.740 -0.000 0.000 0.202 1404 N C 1.196 176.717 175.510 0.017 0.000 1.052 1404 N CA 0.864 53.929 53.050 0.025 0.000 0.872 1404 N CB 0.587 39.093 38.487 0.031 0.000 1.303 1404 N HN 0.347 nan 8.380 nan 0.000 0.440 1405 E N 0.586 120.796 120.200 0.016 0.000 2.403 1405 E HA 0.164 4.514 4.350 -0.000 0.000 0.187 1405 E C 0.820 177.421 176.600 0.001 0.000 1.073 1405 E CA 0.183 56.589 56.400 0.009 0.000 0.888 1405 E CB -0.578 29.128 29.700 0.009 0.000 1.035 1405 E HN 0.460 nan 8.360 nan 0.000 0.471 1406 R N -1.182 119.318 120.500 0.001 0.000 2.688 1406 R HA 0.759 5.099 4.340 -0.000 0.000 0.396 1406 R C 0.773 177.073 176.300 0.000 0.000 1.081 1406 R CA 0.732 56.830 56.100 -0.004 0.000 1.093 1406 R CB -1.019 29.274 30.300 -0.012 0.000 1.338 1406 R HN 1.038 nan 8.270 nan 0.000 0.613 1407 L N -1.553 119.673 121.223 0.003 0.000 3.360 1407 L HA 0.774 5.114 4.340 -0.000 0.000 0.185 1407 L C 2.407 179.281 176.870 0.005 0.000 1.349 1407 L CA 0.802 55.645 54.840 0.005 0.000 0.976 1407 L CB -0.931 41.133 42.059 0.008 0.000 1.780 1407 L HN 0.564 nan 8.230 nan 0.000 0.582 1408 I N 0.137 120.712 120.570 0.007 0.000 2.130 1408 I HA 0.648 4.818 4.170 -0.000 0.000 0.234 1408 I C 2.055 178.175 176.117 0.006 0.000 1.067 1408 I CA 1.856 63.160 61.300 0.007 0.000 1.339 1408 I CB -1.258 36.747 38.000 0.008 0.000 1.073 1408 I HN 1.605 nan 8.210 nan 0.000 0.405 1409 A N 1.459 124.284 122.820 0.008 0.000 3.168 1409 A HA 0.584 4.904 4.320 -0.000 0.000 0.260 1409 A C 0.557 178.144 177.584 0.006 0.000 1.598 1409 A CA 0.538 52.580 52.037 0.007 0.000 1.285 1409 A CB -1.839 17.166 19.000 0.009 0.000 1.149 1409 A HN 1.252 nan 8.150 nan 0.000 0.630 1410 E N -0.104 120.098 120.200 0.004 0.000 2.373 1410 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 1410 E C 0.742 177.342 176.600 -0.001 0.000 1.032 1410 E CA 0.235 56.635 56.400 0.001 0.000 0.889 1410 E CB 0.671 30.370 29.700 -0.001 0.000 0.984 1410 E HN 2.121 nan 8.360 nan 0.000 0.425 1411 G N 0.341 109.139 108.800 -0.003 0.000 2.292 1411 G HA2 0.276 4.236 3.960 -0.000 0.000 0.194 1411 G HA3 0.276 4.236 3.960 -0.000 0.000 0.194 1411 G C 0.747 175.644 174.900 -0.005 0.000 1.329 1411 G CA 0.663 45.761 45.100 -0.004 0.000 1.100 1411 G HN 1.495 nan 8.290 nan 0.000 0.470 1412 K N -1.716 118.682 120.400 -0.003 0.000 2.836 1412 K HA -0.254 4.066 4.320 -0.000 0.000 0.175 1412 K C 0.233 176.829 176.600 -0.007 0.000 0.789 1412 K CA 2.797 59.083 56.287 -0.002 0.000 0.485 1412 K CB -1.497 31.004 32.500 0.002 0.000 0.744 1412 K HN 1.685 nan 8.250 nan 0.000 0.798 1413 V N 0.968 120.877 119.914 -0.008 0.000 2.668 1413 V HA 0.276 4.396 4.120 -0.000 0.000 0.304 1413 V C -2.068 174.013 176.094 -0.022 0.000 1.071 1413 V CA -0.751 61.539 62.300 -0.016 0.000 0.894 1413 V CB 1.863 33.681 31.823 -0.009 0.000 1.008 1413 V HN 0.598 nan 8.190 nan 0.000 0.425 1414 P HA 0.058 nan 4.420 nan 0.000 0.239 1414 P C 0.024 177.277 177.300 -0.078 0.000 1.184 1414 P CA 0.447 63.508 63.100 -0.066 0.000 0.760 1414 P CB -0.005 31.634 31.700 -0.102 0.000 0.884 1415 V N -1.709 118.174 119.914 -0.052 0.000 4.056 1415 V HA -0.194 3.926 4.120 -0.000 0.000 0.459 1415 V C 0.586 176.613 176.094 -0.111 0.000 0.682 1415 V CA 0.006 62.291 62.300 -0.025 0.000 1.872 1415 V CB -2.282 29.573 31.823 0.053 0.000 2.268 1415 V HN 0.429 nan 8.190 nan 0.000 0.494 1416 A N 6.433 129.189 122.820 -0.107 0.000 2.354 1416 A HA 0.821 5.141 4.320 -0.000 0.000 0.269 1416 A C -0.211 177.366 177.584 -0.012 0.000 1.109 1416 A CA 0.329 52.255 52.037 -0.185 0.000 0.800 1416 A CB 0.576 19.504 19.000 -0.120 0.000 1.045 1416 A HN 1.948 nan 8.150 nan 0.000 0.489 1417 W N 1.310 122.623 121.300 0.023 0.000 3.055 1417 W HA 0.776 5.436 4.660 -0.000 0.000 0.340 1417 W C -0.979 175.557 176.519 0.029 0.000 1.180 1417 W CA -1.601 55.761 57.345 0.028 0.000 1.077 1417 W CB 0.454 29.933 29.460 0.031 0.000 1.479 1417 W HN 0.719 nan 8.180 nan 0.000 0.593 1418 K N 0.619 121.301 120.400 0.469 0.000 2.422 1418 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 1418 K C -2.739 173.964 176.600 0.172 0.000 0.933 1418 K CA -1.988 54.488 56.287 0.315 0.000 0.798 1418 K CB 2.241 34.846 32.500 0.176 0.000 1.238 1418 K HN 0.182 nan 8.250 nan 0.000 0.428 1419 P HA 0.001 nan 4.420 nan 0.000 0.268 1419 P C -1.052 176.279 177.300 0.053 0.000 1.204 1419 P CA -0.330 62.794 63.100 0.040 0.000 0.768 1419 P CB 0.554 32.293 31.700 0.066 0.000 0.842 1420 L N 4.584 125.826 121.223 0.032 0.000 2.492 1420 L HA 0.290 4.630 4.340 -0.000 0.000 0.258 1420 L C -0.374 176.550 176.870 0.089 0.000 1.028 1420 L CA -0.481 54.405 54.840 0.077 0.000 0.900 1420 L CB 0.911 43.014 42.059 0.074 0.000 1.191 1420 L HN 0.319 nan 8.230 nan 0.000 0.459 1421 L N 5.013 126.298 121.223 0.103 0.000 2.600 1421 L HA 0.219 4.559 4.340 -0.000 0.000 0.278 1421 L C -0.340 176.606 176.870 0.127 0.000 1.139 1421 L CA 0.396 55.256 54.840 0.034 0.000 0.933 1421 L CB 0.254 42.201 42.059 -0.187 0.000 1.266 1421 L HN 0.611 nan 8.230 nan 0.000 0.471 1422 M N 3.967 123.635 119.600 0.113 0.000 2.144 1422 M HA 0.228 4.708 4.480 -0.000 0.000 0.356 1422 M C 0.749 177.113 176.300 0.106 0.000 1.217 1422 M CA -0.276 55.104 55.300 0.134 0.000 1.087 1422 M CB 1.311 34.011 32.600 0.167 0.000 1.609 1422 M HN 0.561 nan 8.290 nan 0.000 0.467 1423 G N 1.947 110.817 108.800 0.117 0.000 2.554 1423 G HA2 0.255 4.215 3.960 -0.000 0.000 0.238 1423 G HA3 0.255 4.215 3.960 -0.000 0.000 0.238 1423 G C 0.942 175.897 174.900 0.091 0.000 1.259 1423 G CA -0.689 44.474 45.100 0.105 0.000 0.843 1423 G HN 0.631 nan 8.290 nan 0.000 0.582 1424 V N 1.581 121.558 119.914 0.106 0.000 2.317 1424 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 1424 V C 3.079 179.195 176.094 0.037 0.000 1.065 1424 V CA 2.787 65.134 62.300 0.078 0.000 1.049 1424 V CB -0.594 31.278 31.823 0.082 0.000 0.651 1424 V HN 0.884 nan 8.190 nan 0.000 0.450 1425 T N -1.227 113.349 114.554 0.037 0.000 2.698 1425 T HA -0.185 4.165 4.350 -0.000 0.000 0.260 1425 T C 1.933 176.604 174.700 -0.050 0.000 1.044 1425 T CA 1.692 63.793 62.100 0.002 0.000 1.149 1425 T CB -0.193 68.690 68.868 0.025 0.000 0.864 1425 T HN 0.401 nan 8.240 nan 0.000 0.419 1426 K N 0.816 121.203 120.400 -0.021 0.000 2.059 1426 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 1426 K C 2.615 179.170 176.600 -0.075 0.000 1.050 1426 K CA 1.818 58.077 56.287 -0.047 0.000 0.927 1426 K CB -0.369 32.129 32.500 -0.003 0.000 0.714 1426 K HN 0.254 nan 8.250 nan 0.000 0.447 1427 S N -0.261 115.443 115.700 0.007 0.000 2.368 1427 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 1427 S C 2.000 176.624 174.600 0.040 0.000 1.030 1427 S CA 1.325 59.593 58.200 0.112 0.000 0.999 1427 S CB -0.339 62.974 63.200 0.188 0.000 0.844 1427 S HN 0.439 nan 8.310 nan 0.000 0.459 1428 A N 1.223 124.009 122.820 -0.057 0.000 1.933 1428 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 1428 A C 2.196 179.522 177.584 -0.429 0.000 1.175 1428 A CA 1.627 53.567 52.037 -0.162 0.000 0.628 1428 A CB -0.899 18.017 19.000 -0.141 0.000 0.814 1428 A HN 0.591 nan 8.150 nan 0.000 0.444 1429 L N 0.671 121.633 121.223 -0.435 0.000 2.046 1429 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 1429 L C 1.699 178.383 176.870 -0.310 0.000 1.077 1429 L CA 2.142 56.689 54.840 -0.488 0.000 0.747 1429 L CB -0.255 41.633 42.059 -0.285 0.000 0.896 1429 L HN 0.372 nan 8.230 nan 0.000 0.432 1430 S N -2.005 113.536 115.700 -0.265 0.000 3.149 1430 S HA 0.114 4.583 4.470 -0.000 0.000 0.228 1430 S C 0.655 175.150 174.600 -0.175 0.000 1.393 1430 S CA 0.073 58.095 58.200 -0.298 0.000 1.224 1430 S CB -0.599 62.255 63.200 -0.577 0.000 1.112 1430 S HN 0.361 nan 8.310 nan 0.000 0.502 1431 T N 3.113 117.638 114.554 -0.048 0.000 3.383 1431 T HA 0.216 4.566 4.350 -0.000 0.000 0.324 1431 T C 1.164 175.916 174.700 0.087 0.000 1.822 1431 T CA -0.407 61.736 62.100 0.072 0.000 1.424 1431 T CB -0.622 68.282 68.868 0.060 0.000 1.093 1431 T HN 0.618 nan 8.240 nan 0.000 0.748 1432 K N 0.589 121.044 120.400 0.092 0.000 8.787 1432 K HA -0.269 4.051 4.320 -0.000 0.000 0.492 1432 K C 0.811 177.472 176.600 0.101 0.000 0.556 1432 K CA 2.388 58.732 56.287 0.094 0.000 1.619 1432 K CB -2.353 30.202 32.500 0.091 0.000 0.889 1432 K HN 0.731 nan 8.250 nan 0.000 1.052 1433 S N 2.094 117.830 115.700 0.060 0.000 2.571 1433 S HA 0.134 4.603 4.470 -0.000 0.000 0.297 1433 S C 1.306 175.925 174.600 0.031 0.000 1.234 1433 S CA 0.542 58.736 58.200 -0.010 0.000 1.120 1433 S CB -0.278 62.870 63.200 -0.086 0.000 0.923 1433 S HN 0.506 nan 8.310 nan 0.000 0.504 1434 W N 6.902 128.227 121.300 0.043 0.000 2.363 1434 W HA -0.041 4.619 4.660 -0.000 0.000 0.296 1434 W C 1.038 177.591 176.519 0.056 0.000 1.212 1434 W CA 0.414 57.785 57.345 0.044 0.000 1.260 1434 W CB -0.736 28.737 29.460 0.021 0.000 1.131 1434 W HN 0.548 nan 8.180 nan 0.000 0.530 1435 L N 1.630 122.469 121.223 -0.639 0.000 1.971 1435 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 1435 L C 2.714 179.545 176.870 -0.065 0.000 1.072 1435 L CA 2.531 57.158 54.840 -0.356 0.000 0.758 1435 L CB -1.777 39.987 42.059 -0.492 0.000 0.889 1435 L HN 0.169 nan 8.230 nan 0.000 0.433 1436 S N -0.466 115.210 115.700 -0.040 0.000 2.356 1436 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 1436 S C 2.075 176.839 174.600 0.273 0.000 1.032 1436 S CA 1.133 59.383 58.200 0.084 0.000 1.005 1436 S CB -0.496 62.781 63.200 0.128 0.000 0.867 1436 S HN 0.540 nan 8.310 nan 0.000 0.449 1437 A N 1.548 124.560 122.820 0.321 0.000 2.024 1437 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 1437 A C 2.316 180.164 177.584 0.439 0.000 1.164 1437 A CA 1.652 53.954 52.037 0.442 0.000 0.643 1437 A CB -0.977 18.176 19.000 0.256 0.000 0.806 1437 A HN 0.525 nan 8.150 nan 0.000 0.451 1438 A N 0.200 123.181 122.820 0.269 0.000 1.972 1438 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 1438 A C 2.243 179.876 177.584 0.083 0.000 1.169 1438 A CA 1.910 54.061 52.037 0.190 0.000 0.635 1438 A CB -0.823 18.290 19.000 0.189 0.000 0.810 1438 A HN 0.705 nan 8.150 nan 0.000 0.446 1439 S N -0.738 114.914 115.700 -0.081 0.000 2.603 1439 S HA 0.180 4.650 4.470 -0.000 0.000 0.229 1439 S C 0.182 174.548 174.600 -0.391 0.000 0.972 1439 S CA 0.023 58.048 58.200 -0.291 0.000 0.935 1439 S CB -0.503 62.425 63.200 -0.453 0.000 0.769 1439 S HN 0.378 nan 8.310 nan 0.000 0.536 1440 F N 0.903 120.877 119.950 0.039 0.000 2.408 1440 F HA 0.547 5.074 4.527 -0.000 0.000 0.325 1440 F C 2.123 177.944 175.800 0.036 0.000 1.082 1440 F CA -0.579 57.441 58.000 0.034 0.000 1.032 1440 F CB -0.019 39.003 39.000 0.037 0.000 1.259 1440 F HN 0.016 nan 8.300 nan 0.000 0.503 1441 Q N 0.676 120.613 119.800 0.227 0.000 2.318 1441 Q HA -0.281 4.059 4.340 -0.000 0.000 0.216 1441 Q C 0.565 176.622 176.000 0.096 0.000 1.004 1441 Q CA 2.384 58.261 55.803 0.124 0.000 0.932 1441 Q CB -0.912 27.886 28.738 0.100 0.000 0.946 1441 Q HN 0.535 nan 8.270 nan 0.000 0.419 1442 N N -1.432 117.341 118.700 0.121 0.000 2.690 1442 N HA 0.194 4.934 4.740 -0.000 0.000 0.255 1442 N C -0.002 175.588 175.510 0.134 0.000 1.195 1442 N CA 0.438 53.549 53.050 0.102 0.000 0.790 1442 N CB 1.118 39.647 38.487 0.070 0.000 1.216 1442 N HN 0.316 nan 8.380 nan 0.000 0.528 1443 T N 0.492 115.112 114.554 0.110 0.000 2.929 1443 T HA -0.074 4.276 4.350 -0.000 0.000 0.271 1443 T C 1.322 176.083 174.700 0.101 0.000 1.085 1443 T CA 1.887 64.055 62.100 0.113 0.000 1.125 1443 T CB 0.321 69.238 68.868 0.083 0.000 0.874 1443 T HN 0.477 nan 8.240 nan 0.000 0.494 1444 T N 0.194 114.804 114.554 0.093 0.000 2.732 1444 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 1444 T C 1.597 176.356 174.700 0.098 0.000 1.040 1444 T CA 1.143 63.288 62.100 0.075 0.000 1.145 1444 T CB -0.576 68.330 68.868 0.063 0.000 0.866 1444 T HN 0.560 nan 8.240 nan 0.000 0.427 1445 H N 0.803 119.884 119.070 0.019 0.000 2.292 1445 H HA -0.162 4.394 4.556 -0.000 0.000 0.292 1445 H C 2.186 177.523 175.328 0.016 0.000 1.100 1445 H CA 1.953 58.009 56.048 0.014 0.000 1.238 1445 H CB -0.285 29.489 29.762 0.019 0.000 1.355 1445 H HN 0.120 nan 8.280 nan 0.000 0.484 1446 V N 1.349 121.287 119.914 0.040 0.000 2.219 1446 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 1446 V C 2.988 179.043 176.094 -0.064 0.000 1.053 1446 V CA 2.152 64.452 62.300 -0.000 0.000 1.009 1446 V CB -0.813 31.089 31.823 0.132 0.000 0.636 1446 V HN 0.372 nan 8.190 nan 0.000 0.445 1447 L N -0.800 120.394 121.223 -0.048 0.000 2.017 1447 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 1447 L C 2.707 179.479 176.870 -0.165 0.000 1.073 1447 L CA 1.995 56.745 54.840 -0.149 0.000 0.745 1447 L CB -0.982 41.021 42.059 -0.093 0.000 0.894 1447 L HN 0.381 nan 8.230 nan 0.000 0.432 1448 T N -0.489 114.006 114.554 -0.099 0.000 2.570 1448 T HA -0.296 4.054 4.350 -0.000 0.000 0.266 1448 T C 1.769 176.395 174.700 -0.124 0.000 1.071 1448 T CA 1.977 64.024 62.100 -0.088 0.000 1.172 1448 T CB -0.142 68.705 68.868 -0.035 0.000 0.864 1448 T HN 0.348 nan 8.240 nan 0.000 0.421 1449 E N 0.139 120.242 120.200 -0.160 0.000 2.012 1449 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 1449 E C 2.410 178.918 176.600 -0.153 0.000 1.007 1449 E CA 1.101 57.401 56.400 -0.168 0.000 0.816 1449 E CB -0.266 29.286 29.700 -0.246 0.000 0.762 1449 E HN 0.463 nan 8.360 nan 0.000 0.451 1450 A N 0.630 123.341 122.820 -0.181 0.000 2.131 1450 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 1450 A C 2.141 179.541 177.584 -0.307 0.000 1.158 1450 A CA 1.605 53.510 52.037 -0.220 0.000 0.665 1450 A CB -0.419 18.412 19.000 -0.280 0.000 0.795 1450 A HN 0.344 nan 8.150 nan 0.000 0.460 1451 A N -0.284 122.369 122.820 -0.278 0.000 1.935 1451 A HA 0.108 4.428 4.320 -0.000 0.000 0.214 1451 A C 2.052 179.544 177.584 -0.152 0.000 1.178 1451 A CA 1.014 52.904 52.037 -0.244 0.000 0.640 1451 A CB -0.411 18.465 19.000 -0.207 0.000 0.825 1451 A HN 0.440 nan 8.150 nan 0.000 0.447 1452 I N 0.276 120.775 120.570 -0.118 0.000 2.099 1452 I HA -0.205 3.965 4.170 -0.000 0.000 0.239 1452 I C 1.687 177.765 176.117 -0.066 0.000 1.066 1452 I CA 0.818 62.072 61.300 -0.078 0.000 1.324 1452 I CB -0.285 37.675 38.000 -0.065 0.000 1.037 1452 I HN 0.325 nan 8.210 nan 0.000 0.401 1453 A N 0.619 123.399 122.820 -0.067 0.000 2.401 1453 A HA 0.363 4.683 4.320 -0.000 0.000 0.259 1453 A C 1.045 178.596 177.584 -0.056 0.000 1.103 1453 A CA 0.153 52.163 52.037 -0.045 0.000 0.789 1453 A CB 0.218 19.201 19.000 -0.028 0.000 1.035 1453 A HN 0.489 nan 8.150 nan 0.000 0.491 1454 G N 2.311 111.094 108.800 -0.029 0.000 3.327 1454 G HA2 0.035 3.995 3.960 -0.000 0.000 0.218 1454 G HA3 0.035 3.995 3.960 -0.000 0.000 0.218 1454 G C 0.495 175.398 174.900 0.005 0.000 1.261 1454 G CA -0.221 44.865 45.100 -0.024 0.000 1.438 1454 G HN 0.627 nan 8.290 nan 0.000 0.530 1455 K N 0.944 121.336 120.400 -0.013 0.000 2.524 1455 K HA 0.024 4.344 4.320 -0.000 0.000 0.279 1455 K C 0.627 177.397 176.600 0.284 0.000 0.993 1455 K CA 0.757 57.102 56.287 0.097 0.000 1.030 1455 K CB 0.565 33.113 32.500 0.080 0.000 0.891 1455 K HN 0.594 nan 8.250 nan 0.000 0.488 1456 K N 1.139 121.736 120.400 0.328 0.000 2.328 1456 K HA 0.269 4.589 4.320 -0.000 0.000 0.246 1456 K C 0.224 176.966 176.600 0.237 0.000 0.955 1456 K CA -1.025 55.489 56.287 0.379 0.000 0.817 1456 K CB 1.992 34.606 32.500 0.190 0.000 1.208 1456 K HN 0.290 nan 8.250 nan 0.000 0.432 1457 D N 0.674 121.071 120.400 -0.005 0.000 2.278 1457 D HA -0.095 4.545 4.640 -0.000 0.000 0.228 1457 D C 0.061 176.303 176.300 -0.097 0.000 1.020 1457 D CA 1.284 55.145 54.000 -0.232 0.000 0.922 1457 D CB 0.373 40.825 40.800 -0.579 0.000 1.051 1457 D HN 0.836 nan 8.370 nan 0.000 0.452 1458 E N -1.747 118.404 120.200 -0.081 0.000 4.380 1458 E HA -0.224 4.126 4.350 -0.000 0.000 0.319 1458 E C 0.199 176.763 176.600 -0.059 0.000 0.642 1458 E CA 0.862 57.238 56.400 -0.041 0.000 1.849 1458 E CB -1.405 28.287 29.700 -0.013 0.000 1.830 1458 E HN 0.364 nan 8.360 nan 0.000 0.473 1459 L N -0.653 120.508 121.223 -0.103 0.000 3.664 1459 L HA -0.263 4.077 4.340 -0.000 0.000 0.560 1459 L C 1.253 178.088 176.870 -0.057 0.000 1.285 1459 L CA 0.834 55.613 54.840 -0.102 0.000 0.864 1459 L CB -2.378 39.619 42.059 -0.104 0.000 1.512 1459 L HN 0.389 nan 8.230 nan 0.000 0.853 1460 I N -1.711 118.832 120.570 -0.045 0.000 2.206 1460 I HA 0.176 4.346 4.170 -0.000 0.000 0.239 1460 I C 1.875 177.978 176.117 -0.024 0.000 1.078 1460 I CA 1.043 62.329 61.300 -0.024 0.000 1.367 1460 I CB -0.497 37.494 38.000 -0.016 0.000 1.078 1460 I HN 0.409 nan 8.210 nan 0.000 0.413 1461 G N 0.960 109.745 108.800 -0.026 0.000 2.631 1461 G HA2 0.339 4.299 3.960 -0.000 0.000 0.271 1461 G HA3 0.339 4.299 3.960 -0.000 0.000 0.271 1461 G C 0.686 175.569 174.900 -0.028 0.000 1.302 1461 G CA -0.337 44.751 45.100 -0.021 0.000 1.002 1461 G HN 0.336 nan 8.290 nan 0.000 0.519 1462 L N -1.286 119.923 121.223 -0.024 0.000 2.262 1462 L HA 0.218 4.558 4.340 -0.000 0.000 0.197 1462 L C 2.686 179.534 176.870 -0.036 0.000 1.073 1462 L CA 0.554 55.376 54.840 -0.029 0.000 0.800 1462 L CB -0.558 41.486 42.059 -0.024 0.000 0.987 1462 L HN 0.470 nan 8.230 nan 0.000 0.470 1463 K N 0.951 121.334 120.400 -0.028 0.000 2.163 1463 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 1463 K C 1.783 178.350 176.600 -0.056 0.000 1.048 1463 K CA 1.811 58.075 56.287 -0.038 0.000 0.928 1463 K CB -0.039 32.452 32.500 -0.015 0.000 0.716 1463 K HN 0.260 nan 8.250 nan 0.000 0.459 1464 E N -0.133 120.031 120.200 -0.060 0.000 2.002 1464 E HA -0.187 4.163 4.350 -0.000 0.000 0.205 1464 E C 1.749 178.298 176.600 -0.085 0.000 1.020 1464 E CA 2.152 58.496 56.400 -0.094 0.000 0.856 1464 E CB -0.291 29.341 29.700 -0.112 0.000 0.788 1464 E HN 0.373 nan 8.360 nan 0.000 0.477 1465 N N -0.354 118.304 118.700 -0.071 0.000 2.364 1465 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 1465 N C 1.541 177.020 175.510 -0.051 0.000 1.022 1465 N CA 0.618 53.631 53.050 -0.061 0.000 0.883 1465 N CB 0.090 38.547 38.487 -0.051 0.000 0.965 1465 N HN -0.068 nan 8.380 nan 0.000 0.438 1466 V N 0.797 120.682 119.914 -0.049 0.000 2.427 1466 V HA -0.162 3.957 4.120 -0.000 0.000 0.248 1466 V C 1.978 178.046 176.094 -0.044 0.000 1.051 1466 V CA 1.209 63.483 62.300 -0.043 0.000 1.048 1466 V CB -0.365 31.432 31.823 -0.043 0.000 0.666 1466 V HN 0.328 nan 8.190 nan 0.000 0.456 1467 I N -0.401 120.138 120.570 -0.052 0.000 2.208 1467 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 1467 I C 2.156 178.252 176.117 -0.036 0.000 1.097 1467 I CA 1.713 62.984 61.300 -0.048 0.000 1.363 1467 I CB -0.194 37.771 38.000 -0.059 0.000 1.051 1467 I HN 0.261 nan 8.210 nan 0.000 0.413 1468 L N -0.110 121.089 121.223 -0.041 0.000 2.418 1468 L HA 0.083 4.423 4.340 -0.000 0.000 0.218 1468 L C 1.627 178.483 176.870 -0.023 0.000 1.125 1468 L CA 0.785 55.607 54.840 -0.029 0.000 0.835 1468 L CB -0.488 41.548 42.059 -0.038 0.000 0.953 1468 L HN 0.547 nan 8.230 nan 0.000 0.454 1469 G N 0.605 109.389 108.800 -0.028 0.000 2.141 1469 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 1469 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 1469 G C 0.358 175.242 174.900 -0.027 0.000 0.982 1469 G CA -0.131 44.955 45.100 -0.024 0.000 0.662 1469 G HN 0.294 nan 8.290 nan 0.000 0.527 1470 R N -0.986 119.495 120.500 -0.031 0.000 2.637 1470 R HA 0.543 4.883 4.340 -0.000 0.000 0.269 1470 R C 0.438 176.716 176.300 -0.036 0.000 1.089 1470 R CA -0.780 55.300 56.100 -0.033 0.000 1.177 1470 R CB 0.458 30.736 30.300 -0.036 0.000 1.091 1470 R HN 0.184 nan 8.270 nan 0.000 0.540 1471 L N 3.049 124.248 121.223 -0.040 0.000 2.385 1471 L HA 0.141 4.481 4.340 -0.000 0.000 0.281 1471 L C -0.124 176.719 176.870 -0.044 0.000 1.106 1471 L CA 0.258 55.072 54.840 -0.044 0.000 0.856 1471 L CB 0.164 42.190 42.059 -0.055 0.000 1.186 1471 L HN 0.466 nan 8.230 nan 0.000 0.453 1472 I N 8.538 129.085 120.570 -0.039 0.000 3.075 1472 I HA -0.069 4.101 4.170 -0.000 0.000 0.320 1472 I C -1.292 174.806 176.117 -0.033 0.000 1.211 1472 I CA -0.283 60.996 61.300 -0.035 0.000 1.463 1472 I CB 0.630 38.611 38.000 -0.031 0.000 1.308 1472 I HN 0.611 nan 8.210 nan 0.000 0.553 1473 P HA 0.142 nan 4.420 nan 0.000 0.271 1473 P C -0.848 176.447 177.300 -0.009 0.000 1.535 1473 P CA 0.237 63.326 63.100 -0.018 0.000 0.820 1473 P CB -0.278 31.413 31.700 -0.014 0.000 1.606 1474 A N -1.274 121.538 122.820 -0.013 0.000 2.556 1474 A HA 0.754 5.074 4.320 -0.000 0.000 0.294 1474 A C 0.706 178.288 177.584 -0.004 0.000 1.091 1474 A CA -0.078 51.956 52.037 -0.004 0.000 0.704 1474 A CB 1.083 20.078 19.000 -0.009 0.000 1.300 1474 A HN 0.312 nan 8.150 nan 0.000 0.406 1475 G N 0.485 109.290 108.800 0.008 0.000 2.687 1475 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.303 1475 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.303 1475 G C 1.185 176.090 174.900 0.008 0.000 1.209 1475 G CA 1.639 46.744 45.100 0.009 0.000 0.968 1475 G HN 2.140 nan 8.290 nan 0.000 0.549 1476 T N -0.287 114.259 114.554 -0.012 0.000 3.113 1476 T HA 0.414 4.764 4.350 -0.000 0.000 0.256 1476 T C 1.868 176.537 174.700 -0.053 0.000 1.131 1476 T CA 1.537 63.619 62.100 -0.030 0.000 1.074 1476 T CB 0.364 69.211 68.868 -0.036 0.000 0.944 1476 T HN 1.627 nan 8.240 nan 0.000 0.516 1477 G N 0.837 109.610 108.800 -0.044 0.000 3.605 1477 G HA2 0.321 4.281 3.960 -0.000 0.000 0.277 1477 G HA3 0.321 4.281 3.960 -0.000 0.000 0.277 1477 G C 0.080 174.955 174.900 -0.041 0.000 1.093 1477 G CA -0.427 44.636 45.100 -0.062 0.000 0.821 1477 G HN 0.465 nan 8.290 nan 0.000 0.532 1478 S N 0.064 115.757 115.700 -0.011 0.000 2.465 1478 S HA 0.192 4.662 4.470 -0.000 0.000 0.279 1478 S C 1.084 175.719 174.600 0.059 0.000 1.201 1478 S CA -0.454 57.772 58.200 0.042 0.000 1.053 1478 S CB 0.764 64.019 63.200 0.091 0.000 0.953 1478 S HN 0.280 nan 8.310 nan 0.000 0.488 1479 D N 3.152 123.606 120.400 0.090 0.000 2.254 1479 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 1479 D C 0.990 177.439 176.300 0.248 0.000 0.998 1479 D CA 1.335 55.436 54.000 0.168 0.000 0.885 1479 D CB -0.196 40.725 40.800 0.202 0.000 0.915 1479 D HN 0.705 nan 8.370 nan 0.000 0.460 1480 F N -0.348 119.648 119.950 0.076 0.000 2.771 1480 F HA 0.080 4.607 4.527 -0.000 0.000 0.299 1480 F C 1.403 177.243 175.800 0.066 0.000 1.177 1480 F CA 0.426 58.468 58.000 0.071 0.000 1.450 1480 F CB 0.415 39.437 39.000 0.037 0.000 1.114 1480 F HN -0.153 nan 8.300 nan 0.000 0.587 1481 V N -0.210 119.669 119.914 -0.057 0.000 3.221 1481 V HA 0.001 4.121 4.120 -0.000 0.000 0.254 1481 V C 1.981 178.017 176.094 -0.096 0.000 1.586 1481 V CA 0.685 62.903 62.300 -0.136 0.000 1.074 1481 V CB 0.171 31.976 31.823 -0.029 0.000 0.912 1481 V HN 0.272 nan 8.190 nan 0.000 0.426 1482 R N -0.370 120.055 120.500 -0.126 0.000 2.235 1482 R HA 0.031 4.371 4.340 -0.000 0.000 0.213 1482 R C 1.662 177.795 176.300 -0.277 0.000 1.059 1482 R CA 1.545 57.508 56.100 -0.227 0.000 0.997 1482 R CB -0.509 29.595 30.300 -0.326 0.000 0.884 1482 R HN 0.440 nan 8.270 nan 0.000 0.462 1483 F N 1.848 121.763 119.950 -0.058 0.000 2.811 1483 F HA 0.106 4.633 4.527 -0.000 0.000 0.301 1483 F C 0.421 176.183 175.800 -0.064 0.000 1.151 1483 F CA 0.040 58.007 58.000 -0.054 0.000 1.412 1483 F CB 0.310 39.279 39.000 -0.052 0.000 1.113 1483 F HN -0.123 nan 8.300 nan 0.000 0.579 1484 T N 1.616 116.202 114.554 0.052 0.000 2.817 1484 T HA 0.326 4.676 4.350 -0.000 0.000 0.295 1484 T C 0.404 175.108 174.700 0.007 0.000 0.958 1484 T CA -0.090 62.013 62.100 0.004 0.000 1.157 1484 T CB 0.649 69.489 68.868 -0.047 0.000 0.898 1484 T HN 0.358 nan 8.240 nan 0.000 0.536 1485 Q N 1.848 121.655 119.800 0.012 0.000 2.235 1485 Q HA 0.713 5.053 4.340 -0.000 0.000 0.256 1485 Q C -0.601 175.398 176.000 -0.003 0.000 0.951 1485 Q CA -0.978 54.831 55.803 0.009 0.000 0.890 1485 Q CB 1.802 30.551 28.738 0.017 0.000 1.279 1485 Q HN 0.700 nan 8.270 nan 0.000 0.444 1486 V N 2.326 122.238 119.914 -0.004 0.000 2.407 1486 V HA 0.696 4.816 4.120 -0.000 0.000 0.291 1486 V C -0.867 175.224 176.094 -0.004 0.000 1.018 1486 V CA -0.361 61.936 62.300 -0.006 0.000 0.842 1486 V CB 1.127 32.945 31.823 -0.008 0.000 0.996 1486 V HN 0.802 nan 8.190 nan 0.000 0.426 1487 V N 5.327 125.239 119.914 -0.004 0.000 2.850 1487 V HA 0.581 4.701 4.120 -0.000 0.000 0.315 1487 V C -0.495 175.597 176.094 -0.004 0.000 1.064 1487 V CA -0.522 61.776 62.300 -0.003 0.000 0.979 1487 V CB 2.134 33.955 31.823 -0.003 0.000 1.039 1487 V HN 1.044 nan 8.190 nan 0.000 0.452 1488 D N 2.150 122.548 120.400 -0.003 0.000 2.420 1488 D HA 0.536 5.175 4.640 -0.000 0.000 0.255 1488 D C 0.611 176.910 176.300 -0.003 0.000 1.185 1488 D CA 0.526 54.524 54.000 -0.003 0.000 0.904 1488 D CB 1.363 42.161 40.800 -0.003 0.000 1.102 1488 D HN 0.763 nan 8.370 nan 0.000 0.534 1489 Q N 1.687 121.486 119.800 -0.003 0.000 2.500 1489 Q HA -0.486 3.854 4.340 -0.000 0.000 0.411 1489 Q C 2.198 178.196 176.000 -0.002 0.000 1.570 1489 Q CA 4.470 60.272 55.803 -0.003 0.000 0.901 1489 Q CB -2.013 26.724 28.738 -0.002 0.000 1.374 1489 Q HN 0.986 nan 8.270 nan 0.000 0.973 1490 R N -0.206 120.292 120.500 -0.002 0.000 2.189 1490 R HA 0.095 4.435 4.340 -0.000 0.000 0.218 1490 R C 2.729 179.028 176.300 -0.002 0.000 1.074 1490 R CA 2.312 58.411 56.100 -0.002 0.000 0.991 1490 R CB -1.380 28.919 30.300 -0.002 0.000 0.883 1490 R HN 1.104 nan 8.270 nan 0.000 0.457 1491 T N 0.927 115.479 114.554 -0.002 0.000 2.867 1491 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 1491 T C 1.837 176.535 174.700 -0.002 0.000 1.057 1491 T CA 1.185 63.283 62.100 -0.002 0.000 1.136 1491 T CB -0.153 68.714 68.868 -0.002 0.000 0.874 1491 T HN 0.225 nan 8.240 nan 0.000 0.466 1492 L N 0.905 122.127 121.223 -0.002 0.000 2.095 1492 L HA 0.117 4.456 4.340 -0.000 0.000 0.204 1492 L C 2.083 178.951 176.870 -0.003 0.000 1.080 1492 L CA 1.690 56.529 54.840 -0.003 0.000 0.759 1492 L CB -0.410 41.647 42.059 -0.003 0.000 0.914 1492 L HN -0.084 nan 8.230 nan 0.000 0.439 1493 K N -0.229 120.169 120.400 -0.002 0.000 2.155 1493 K HA 0.110 4.430 4.320 -0.000 0.000 0.203 1493 K C 2.037 178.636 176.600 -0.002 0.000 1.052 1493 K CA 1.161 57.446 56.287 -0.002 0.000 0.948 1493 K CB -0.655 31.844 32.500 -0.002 0.000 0.728 1493 K HN 0.379 nan 8.250 nan 0.000 0.448 1494 A N 1.007 123.826 122.820 -0.002 0.000 2.014 1494 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 1494 A C 2.156 179.739 177.584 -0.002 0.000 1.163 1494 A CA 0.834 52.870 52.037 -0.002 0.000 0.652 1494 A CB -0.414 18.585 19.000 -0.001 0.000 0.808 1494 A HN 0.185 nan 8.150 nan 0.000 0.449 1495 I N -0.624 119.945 120.570 -0.002 0.000 2.761 1495 I HA -0.142 4.028 4.170 -0.000 0.000 0.261 1495 I C 2.241 178.357 176.117 -0.002 0.000 1.198 1495 I CA 1.383 62.682 61.300 -0.002 0.000 1.482 1495 I CB 0.125 38.124 38.000 -0.002 0.000 1.100 1495 I HN 0.501 nan 8.210 nan 0.000 0.445 1496 E N 0.878 121.077 120.200 -0.002 0.000 2.216 1496 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 1496 E C 1.586 178.184 176.600 -0.002 0.000 0.988 1496 E CA 1.075 57.473 56.400 -0.003 0.000 0.834 1496 E CB 0.089 29.788 29.700 -0.003 0.000 0.772 1496 E HN 0.277 nan 8.360 nan 0.000 0.479 1497 E N -0.944 119.255 120.200 -0.002 0.000 2.437 1497 E HA 0.258 4.608 4.350 -0.000 0.000 0.189 1497 E C 0.031 176.630 176.600 -0.002 0.000 1.054 1497 E CA 0.499 56.898 56.400 -0.002 0.000 0.874 1497 E CB 0.734 30.433 29.700 -0.002 0.000 1.011 1497 E HN 0.335 nan 8.360 nan 0.000 0.474 1498 A N -0.891 121.928 122.820 -0.002 0.000 2.635 1498 A HA 0.369 4.689 4.320 -0.000 0.000 0.279 1498 A C 1.723 179.306 177.584 -0.002 0.000 1.122 1498 A CA 0.271 52.307 52.037 -0.002 0.000 0.965 1498 A CB 0.151 19.151 19.000 -0.001 0.000 1.221 1498 A HN 0.169 nan 8.150 nan 0.000 0.566 1499 R N 1.421 121.920 120.500 -0.002 0.000 2.189 1499 R HA 0.122 4.462 4.340 -0.000 0.000 0.203 1499 R C 1.084 177.382 176.300 -0.003 0.000 1.012 1499 R CA 1.205 57.303 56.100 -0.003 0.000 1.015 1499 R CB -0.732 29.566 30.300 -0.004 0.000 0.938 1499 R HN 0.450 nan 8.270 nan 0.000 0.472 1500 K N 1.444 121.842 120.400 -0.003 0.000 3.127 1500 K HA 0.328 4.648 4.320 -0.000 0.000 0.236 1500 K C -1.034 175.564 176.600 -0.002 0.000 1.271 1500 K CA -0.118 56.168 56.287 -0.002 0.000 1.224 1500 K CB 0.403 32.901 32.500 -0.002 0.000 1.482 1500 K HN 0.459 nan 8.250 nan 0.000 0.435 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