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 2b66_1_N DATA FIRST_RESID 4 DATA SEQUENCE AEFDADVIVD ARDCIMGRVA SQVAEQALDG ETVAVVNAER AVITGREEQI DATA SEQUENCE VEKYEKRVDI GNDNGYFYPK RPDGIFKRTI RGMLPXKKQR GREAFESVRV DATA SEQUENCE YLGNPYDXXX XXXXXXXXXX XXXXXXXTLG EISETLGA 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.103 177.584 -0.802 0.000 1.274 4 A CA 0.000 51.842 52.037 -0.325 0.000 0.836 4 A CB 0.000 18.910 19.000 -0.150 0.000 0.831 5 E N 0.424 120.520 120.200 -0.173 0.000 3.120 5 E HA 0.136 4.486 4.350 0.000 0.000 0.292 5 E C -0.526 175.601 176.600 -0.788 0.000 0.914 5 E CA 1.276 57.531 56.400 -0.242 0.000 0.988 5 E CB -0.349 29.321 29.700 -0.050 0.000 0.994 5 E HN 0.424 nan 8.360 nan 0.000 0.493 6 F N 1.110 120.913 119.950 -0.245 0.000 3.336 6 F HA 0.302 4.829 4.527 -0.000 0.000 0.214 6 F C 1.565 177.294 175.800 -0.119 0.000 1.614 6 F CA -0.173 57.710 58.000 -0.195 0.000 0.939 6 F CB -0.255 38.576 39.000 -0.281 0.000 1.865 6 F HN 0.510 nan 8.300 nan 0.000 0.306 7 D N 0.744 121.232 120.400 0.146 0.000 2.125 7 D HA 0.346 4.986 4.640 0.000 0.000 0.266 7 D C 0.672 176.996 176.300 0.040 0.000 1.124 7 D CA 1.017 55.054 54.000 0.060 0.000 0.913 7 D CB -0.328 40.492 40.800 0.032 0.000 0.964 7 D HN 0.504 nan 8.370 nan 0.000 0.370 8 A N -0.424 122.414 122.820 0.029 0.000 2.424 8 A HA -0.088 4.232 4.320 0.000 0.000 0.220 8 A C 1.012 178.608 177.584 0.019 0.000 2.882 8 A CA 0.546 52.602 52.037 0.030 0.000 1.589 8 A CB -1.486 17.532 19.000 0.032 0.000 0.160 8 A HN 0.295 nan 8.150 nan 0.000 0.566 9 D N 0.509 120.914 120.400 0.008 0.000 2.088 9 D HA -0.067 4.573 4.640 0.000 0.000 0.196 9 D C 0.689 176.989 176.300 -0.001 0.000 0.983 9 D CA 2.433 56.432 54.000 -0.002 0.000 0.846 9 D CB 0.104 40.895 40.800 -0.015 0.000 0.992 9 D HN 0.472 nan 8.370 nan 0.000 0.448 10 V N 2.461 122.371 119.914 -0.007 0.000 2.218 10 V HA 0.254 4.374 4.120 0.000 0.000 0.261 10 V C 0.379 176.483 176.094 0.016 0.000 1.142 10 V CA -0.272 62.027 62.300 -0.002 0.000 0.965 10 V CB 0.455 32.268 31.823 -0.016 0.000 1.190 10 V HN 0.107 nan 8.190 nan 0.000 0.478 11 I N 4.571 125.157 120.570 0.027 0.000 2.260 11 I HA 0.356 4.526 4.170 0.000 0.000 0.297 11 I C -0.075 176.071 176.117 0.048 0.000 1.143 11 I CA 0.394 61.721 61.300 0.046 0.000 1.271 11 I CB 0.552 38.580 38.000 0.046 0.000 1.461 11 I HN 0.343 nan 8.210 nan 0.000 0.530 12 V N 5.264 125.213 119.914 0.058 0.000 3.076 12 V HA 0.524 4.644 4.120 0.000 0.000 0.311 12 V C -0.912 175.226 176.094 0.073 0.000 1.346 12 V CA -0.437 61.896 62.300 0.055 0.000 1.056 12 V CB 2.615 34.462 31.823 0.040 0.000 1.093 12 V HN 0.792 nan 8.190 nan 0.000 0.468 13 D N -0.458 119.983 120.400 0.068 0.000 4.113 13 D HA 0.843 5.483 4.640 0.000 0.000 0.322 13 D C -0.546 175.805 176.300 0.085 0.000 1.576 13 D CA 0.216 54.263 54.000 0.078 0.000 0.977 13 D CB 1.356 42.198 40.800 0.069 0.000 1.429 13 D HN 1.285 nan 8.370 nan 0.000 0.645 14 A N -1.378 121.493 122.820 0.085 0.000 2.522 14 A HA 0.801 5.121 4.320 0.000 0.000 0.291 14 A C -1.621 176.011 177.584 0.081 0.000 1.039 14 A CA -0.606 51.491 52.037 0.100 0.000 0.643 14 A CB 0.956 20.069 19.000 0.188 0.000 1.310 14 A HN 0.888 nan 8.150 nan 0.000 0.436 15 R N 0.636 121.181 120.500 0.074 0.000 8.289 15 R HA 0.195 4.535 4.340 0.000 0.000 0.251 15 R C -0.710 175.610 176.300 0.033 0.000 0.811 15 R CA -0.021 56.113 56.100 0.056 0.000 2.032 15 R CB -0.755 29.573 30.300 0.046 0.000 1.143 15 R HN 0.956 nan 8.270 nan 0.000 0.986 16 D N -0.673 119.743 120.400 0.026 0.000 4.086 16 D HA -0.238 4.402 4.640 0.000 0.000 0.197 16 D C 0.760 177.059 176.300 -0.002 0.000 1.042 16 D CA 2.328 56.334 54.000 0.010 0.000 2.327 16 D CB -1.252 39.554 40.800 0.010 0.000 1.166 16 D HN 0.788 nan 8.370 nan 0.000 0.431 17 C N 1.698 120.997 119.300 -0.002 0.000 2.831 17 C HA -0.093 4.367 4.460 0.000 0.000 0.379 17 C C 1.475 176.446 174.990 -0.032 0.000 1.138 17 C CA -0.018 58.991 59.018 -0.015 0.000 1.179 17 C CB -1.131 26.601 27.740 -0.014 0.000 1.831 17 C HN 0.541 nan 8.230 nan 0.000 0.434 18 I N 0.545 121.088 120.570 -0.044 0.000 2.330 18 I HA 0.210 4.380 4.170 0.000 0.000 0.286 18 I C 0.476 176.536 176.117 -0.095 0.000 1.025 18 I CA -0.531 60.733 61.300 -0.059 0.000 1.197 18 I CB 0.941 38.913 38.000 -0.047 0.000 1.358 18 I HN 0.699 nan 8.210 nan 0.000 0.467 19 M N 7.547 127.067 119.600 -0.132 0.000 3.584 19 M HA 0.184 4.664 4.480 0.000 0.000 0.190 19 M C 0.253 176.450 176.300 -0.172 0.000 1.679 19 M CA -0.001 55.168 55.300 -0.218 0.000 1.744 19 M CB -1.728 30.696 32.600 -0.292 0.000 1.228 19 M HN 0.677 nan 8.290 nan 0.000 0.532 20 G N 0.640 109.363 108.800 -0.128 0.000 3.255 20 G HA2 0.289 4.249 3.960 0.000 0.000 0.161 20 G HA3 0.289 4.249 3.960 0.000 0.000 0.161 20 G C 0.567 175.421 174.900 -0.077 0.000 1.173 20 G CA -0.606 44.441 45.100 -0.089 0.000 1.106 20 G HN 0.318 nan 8.290 nan 0.000 0.650 21 R N 0.018 120.486 120.500 -0.053 0.000 2.370 21 R HA -0.205 4.135 4.340 0.000 0.000 0.268 21 R C 2.248 178.516 176.300 -0.053 0.000 1.131 21 R CA 1.526 57.599 56.100 -0.045 0.000 0.997 21 R CB -1.649 28.631 30.300 -0.034 0.000 0.888 21 R HN 0.264 nan 8.270 nan 0.000 0.484 22 V N 0.359 120.232 119.914 -0.068 0.000 2.282 22 V HA -0.409 3.711 4.120 0.000 0.000 0.241 22 V C 2.330 178.380 176.094 -0.073 0.000 1.005 22 V CA 2.421 64.675 62.300 -0.076 0.000 1.033 22 V CB -1.306 30.443 31.823 -0.123 0.000 0.677 22 V HN 0.576 nan 8.190 nan 0.000 0.494 23 A N 0.201 122.958 122.820 -0.105 0.000 1.870 23 A HA -0.367 3.953 4.320 0.000 0.000 0.219 23 A C 2.424 179.972 177.584 -0.061 0.000 1.224 23 A CA 4.305 56.293 52.037 -0.081 0.000 0.650 23 A CB -1.461 17.481 19.000 -0.096 0.000 0.836 23 A HN 1.249 nan 8.150 nan 0.000 0.454 24 S N -0.389 115.275 115.700 -0.060 0.000 2.331 24 S HA -0.499 3.971 4.470 0.000 0.000 0.358 24 S C 1.844 176.415 174.600 -0.047 0.000 1.150 24 S CA 2.655 60.826 58.200 -0.048 0.000 1.766 24 S CB -1.317 61.858 63.200 -0.041 0.000 1.490 24 S HN 0.741 nan 8.310 nan 0.000 0.490 25 Q N 0.944 120.719 119.800 -0.041 0.000 2.016 25 Q HA 0.009 4.349 4.340 0.000 0.000 0.200 25 Q C 2.493 178.469 176.000 -0.041 0.000 0.978 25 Q CA 1.413 57.194 55.803 -0.037 0.000 0.833 25 Q CB -0.747 27.974 28.738 -0.028 0.000 0.895 25 Q HN 0.554 nan 8.270 nan 0.000 0.427 26 V N 1.766 121.657 119.914 -0.037 0.000 2.308 26 V HA -0.442 3.678 4.120 0.000 0.000 0.252 26 V C 2.274 178.335 176.094 -0.054 0.000 1.066 26 V CA 2.407 64.684 62.300 -0.037 0.000 1.104 26 V CB -1.559 30.244 31.823 -0.033 0.000 0.786 26 V HN 0.563 nan 8.190 nan 0.000 0.473 27 A N -0.960 121.817 122.820 -0.071 0.000 1.827 27 A HA -0.257 4.063 4.320 0.000 0.000 0.215 27 A C 1.959 179.498 177.584 -0.075 0.000 1.212 27 A CA 2.119 54.099 52.037 -0.096 0.000 0.624 27 A CB -0.811 18.119 19.000 -0.116 0.000 0.853 27 A HN 0.651 nan 8.150 nan 0.000 0.450 28 E N -0.507 119.656 120.200 -0.062 0.000 2.689 28 E HA -0.335 4.015 4.350 0.000 0.000 0.247 28 E C 1.781 178.353 176.600 -0.046 0.000 1.031 28 E CA 2.261 58.633 56.400 -0.048 0.000 1.400 28 E CB -0.847 28.831 29.700 -0.037 0.000 1.296 28 E HN 0.762 nan 8.360 nan 0.000 0.475 29 Q N -0.786 118.987 119.800 -0.044 0.000 2.389 29 Q HA 0.201 4.541 4.340 0.000 0.000 0.204 29 Q C 2.109 178.076 176.000 -0.055 0.000 0.944 29 Q CA 0.845 56.624 55.803 -0.041 0.000 0.908 29 Q CB 0.005 28.724 28.738 -0.032 0.000 1.002 29 Q HN 0.362 nan 8.270 nan 0.000 0.493 30 A N 1.089 123.866 122.820 -0.071 0.000 1.908 30 A HA -0.132 4.188 4.320 0.000 0.000 0.218 30 A C 1.850 179.371 177.584 -0.106 0.000 1.181 30 A CA 0.951 52.927 52.037 -0.101 0.000 0.627 30 A CB -0.445 18.475 19.000 -0.133 0.000 0.818 30 A HN 0.237 nan 8.150 nan 0.000 0.445 31 L N -1.716 119.452 121.223 -0.091 0.000 2.563 31 L HA 0.024 4.364 4.340 0.000 0.000 0.150 31 L C 1.599 178.439 176.870 -0.051 0.000 1.484 31 L CA 0.738 55.533 54.840 -0.074 0.000 3.029 31 L CB -0.496 41.526 42.059 -0.063 0.000 2.995 31 L HN 0.382 nan 8.230 nan 0.000 0.944 32 D N 0.045 120.422 120.400 -0.038 0.000 4.303 32 D HA -0.283 4.357 4.640 0.000 0.000 0.313 32 D C 0.660 176.945 176.300 -0.026 0.000 1.204 32 D CA 2.268 56.251 54.000 -0.028 0.000 1.762 32 D CB -0.947 39.838 40.800 -0.026 0.000 0.999 32 D HN 0.825 nan 8.370 nan 0.000 0.657 33 G N 0.170 108.951 108.800 -0.031 0.000 2.556 33 G HA2 0.214 4.174 3.960 0.000 0.000 0.231 33 G HA3 0.214 4.174 3.960 0.000 0.000 0.231 33 G C -0.733 174.149 174.900 -0.029 0.000 1.687 33 G CA -0.141 44.943 45.100 -0.028 0.000 0.917 33 G HN 0.279 nan 8.290 nan 0.000 0.492 34 E N 0.271 120.448 120.200 -0.037 0.000 2.369 34 E HA 0.668 5.018 4.350 0.000 0.000 0.270 34 E C -0.285 176.287 176.600 -0.047 0.000 0.909 34 E CA -0.877 55.501 56.400 -0.036 0.000 0.775 34 E CB 2.280 31.962 29.700 -0.031 0.000 1.270 34 E HN 0.319 nan 8.360 nan 0.000 0.445 35 T N -1.619 112.907 114.554 -0.047 0.000 2.767 35 T HA 0.449 4.799 4.350 0.000 0.000 0.284 35 T C -0.429 174.239 174.700 -0.053 0.000 0.973 35 T CA -0.640 61.423 62.100 -0.062 0.000 0.996 35 T CB 0.730 69.549 68.868 -0.080 0.000 0.927 35 T HN 0.095 nan 8.240 nan 0.000 0.456 36 V N 3.514 123.395 119.914 -0.055 0.000 2.284 36 V HA 0.649 4.769 4.120 0.000 0.000 0.274 36 V C 0.342 176.415 176.094 -0.035 0.000 1.023 36 V CA -0.837 61.442 62.300 -0.035 0.000 0.808 36 V CB 0.526 32.331 31.823 -0.029 0.000 1.035 36 V HN 1.212 nan 8.190 nan 0.000 0.445 37 A N 5.312 128.124 122.820 -0.014 0.000 2.253 37 A HA 0.806 5.126 4.320 0.000 0.000 0.316 37 A C -0.015 177.630 177.584 0.102 0.000 1.327 37 A CA -0.208 51.850 52.037 0.034 0.000 0.917 37 A CB 1.009 20.030 19.000 0.036 0.000 1.162 37 A HN 0.554 nan 8.150 nan 0.000 0.535 38 V N 2.418 122.388 119.914 0.092 0.000 6.580 38 V HA 0.750 4.870 4.120 0.000 0.000 0.148 38 V C 0.388 176.575 176.094 0.155 0.000 1.377 38 V CA 0.541 62.913 62.300 0.119 0.000 1.053 38 V CB 0.429 32.297 31.823 0.076 0.000 2.181 38 V HN 1.821 nan 8.190 nan 0.000 0.312 39 V N -2.890 117.074 119.914 0.083 0.000 2.344 39 V HA 0.306 4.426 4.120 0.000 0.000 0.322 39 V C -0.656 175.469 176.094 0.052 0.000 1.826 39 V CA -0.001 62.337 62.300 0.062 0.000 0.812 39 V CB 0.357 32.283 31.823 0.172 0.000 1.196 39 V HN 0.796 nan 8.190 nan 0.000 0.252 40 N N -1.527 117.184 118.700 0.018 0.000 2.479 40 N HA 0.086 4.826 4.740 0.000 0.000 0.141 40 N C 1.054 176.564 175.510 0.000 0.000 1.660 40 N CA 1.845 54.914 53.050 0.032 0.000 3.273 40 N CB -1.208 37.324 38.487 0.075 0.000 1.500 40 N HN 2.682 nan 8.380 nan 0.000 1.126 41 A N 1.539 124.296 122.820 -0.105 0.000 5.101 41 A HA -0.447 3.873 4.320 0.000 0.000 0.391 41 A C 1.661 179.261 177.584 0.027 0.000 1.488 41 A CA 3.876 55.795 52.037 -0.195 0.000 0.878 41 A CB -1.865 16.986 19.000 -0.249 0.000 1.518 41 A HN 0.644 nan 8.150 nan 0.000 0.455 42 E N 0.367 120.569 120.200 0.004 0.000 2.351 42 E HA -0.440 3.910 4.350 0.000 0.000 0.249 42 E C 1.842 178.477 176.600 0.058 0.000 1.062 42 E CA 2.479 58.899 56.400 0.034 0.000 1.066 42 E CB -1.069 28.642 29.700 0.017 0.000 0.955 42 E HN 0.837 nan 8.360 nan 0.000 0.504 43 R N 2.309 122.839 120.500 0.050 0.000 2.162 43 R HA -0.213 4.127 4.340 0.000 0.000 0.245 43 R C 1.604 177.946 176.300 0.069 0.000 1.129 43 R CA 2.274 58.405 56.100 0.052 0.000 0.940 43 R CB -0.908 29.421 30.300 0.048 0.000 0.875 43 R HN 0.453 nan 8.270 nan 0.000 0.437 44 A N -0.833 122.058 122.820 0.119 0.000 2.885 44 A HA -0.107 4.213 4.320 0.000 0.000 1.024 44 A C 0.069 177.684 177.584 0.052 0.000 2.029 44 A CA 1.129 53.248 52.037 0.136 0.000 3.171 44 A CB -0.313 18.873 19.000 0.311 0.000 1.635 44 A HN 0.332 nan 8.150 nan 0.000 0.942 45 V N -1.343 118.573 119.914 0.004 0.000 3.225 45 V HA 0.705 4.825 4.120 0.000 0.000 0.293 45 V C -0.569 175.483 176.094 -0.069 0.000 1.405 45 V CA 0.150 62.435 62.300 -0.025 0.000 1.038 45 V CB 1.850 33.660 31.823 -0.022 0.000 1.123 45 V HN 1.196 nan 8.190 nan 0.000 0.447 46 I N -0.049 120.482 120.570 -0.064 0.000 2.558 46 I HA 0.281 4.451 4.170 0.000 0.000 0.301 46 I C -0.094 175.986 176.117 -0.061 0.000 1.879 46 I CA -0.524 60.726 61.300 -0.084 0.000 0.959 46 I CB 1.914 39.829 38.000 -0.141 0.000 1.541 46 I HN 0.895 nan 8.210 nan 0.000 0.576 47 T N 1.346 115.869 114.554 -0.051 0.000 2.348 47 T HA -0.124 4.226 4.350 0.000 0.000 0.204 47 T C 1.059 175.744 174.700 -0.025 0.000 0.998 47 T CA 0.737 62.819 62.100 -0.032 0.000 1.318 47 T CB -0.174 68.680 68.868 -0.023 0.000 0.994 47 T HN 1.213 nan 8.240 nan 0.000 0.400 48 G N 2.995 111.786 108.800 -0.016 0.000 2.474 48 G HA2 -0.041 3.919 3.960 0.000 0.000 0.157 48 G HA3 -0.041 3.919 3.960 0.000 0.000 0.157 48 G C 0.701 175.596 174.900 -0.008 0.000 1.720 48 G CA 0.098 45.191 45.100 -0.011 0.000 0.931 48 G HN 1.164 nan 8.290 nan 0.000 0.376 49 R N 0.963 121.461 120.500 -0.003 0.000 2.719 49 R HA -0.235 4.105 4.340 0.000 0.000 0.213 49 R C 1.380 177.681 176.300 0.001 0.000 0.770 49 R CA 0.924 57.024 56.100 0.000 0.000 0.522 49 R CB -1.502 28.799 30.300 0.003 0.000 1.198 49 R HN 0.774 nan 8.270 nan 0.000 0.516 50 E N 1.416 121.615 120.200 -0.001 0.000 2.223 50 E HA -0.339 4.011 4.350 0.000 0.000 0.249 50 E C 1.096 177.700 176.600 0.007 0.000 1.008 50 E CA 2.185 58.585 56.400 -0.000 0.000 0.975 50 E CB -0.250 29.451 29.700 0.002 0.000 0.901 50 E HN 0.576 nan 8.360 nan 0.000 0.537 51 E N 0.711 120.917 120.200 0.009 0.000 2.879 51 E HA -0.380 3.970 4.350 0.000 0.000 0.329 51 E C 1.705 178.316 176.600 0.017 0.000 1.106 51 E CA 1.994 58.402 56.400 0.012 0.000 1.303 51 E CB -0.523 29.183 29.700 0.010 0.000 1.056 51 E HN 0.347 nan 8.360 nan 0.000 0.471 52 Q N -0.371 119.439 119.800 0.017 0.000 2.498 52 Q HA -0.265 4.075 4.340 0.000 0.000 0.219 52 Q C 2.053 178.071 176.000 0.031 0.000 0.997 52 Q CA 1.317 57.134 55.803 0.022 0.000 0.934 52 Q CB -0.460 28.288 28.738 0.018 0.000 0.924 52 Q HN 0.384 nan 8.270 nan 0.000 0.465 53 I N -0.452 120.131 120.570 0.022 0.000 2.163 53 I HA -0.203 3.967 4.170 0.000 0.000 0.240 53 I C 1.747 177.881 176.117 0.030 0.000 1.081 53 I CA 1.163 62.472 61.300 0.015 0.000 1.353 53 I CB 0.025 38.023 38.000 -0.002 0.000 1.054 53 I HN -0.023 nan 8.210 nan 0.000 0.407 54 V N 0.590 120.524 119.914 0.034 0.000 3.380 54 V HA -0.087 4.033 4.120 0.000 0.000 0.268 54 V C 1.984 178.125 176.094 0.078 0.000 1.168 54 V CA 0.907 63.239 62.300 0.053 0.000 1.156 54 V CB -1.250 30.596 31.823 0.040 0.000 0.785 54 V HN 0.437 nan 8.190 nan 0.000 0.487 55 E N 0.508 120.749 120.200 0.067 0.000 2.004 55 E HA -0.128 4.222 4.350 0.000 0.000 0.192 55 E C 2.084 178.737 176.600 0.088 0.000 0.987 55 E CA 0.866 57.302 56.400 0.060 0.000 0.822 55 E CB -0.270 29.453 29.700 0.039 0.000 0.779 55 E HN 0.318 nan 8.360 nan 0.000 0.458 56 K N 0.752 121.218 120.400 0.110 0.000 2.081 56 K HA -0.249 4.071 4.320 0.000 0.000 0.222 56 K C 2.067 178.771 176.600 0.174 0.000 1.055 56 K CA 1.826 58.200 56.287 0.145 0.000 0.954 56 K CB -1.205 31.425 32.500 0.216 0.000 0.732 56 K HN 0.267 nan 8.250 nan 0.000 0.458 57 Y N 1.464 121.790 120.300 0.043 0.000 2.516 57 Y HA -0.003 4.547 4.550 0.000 0.000 0.291 57 Y C 2.165 178.104 175.900 0.065 0.000 1.131 57 Y CA 0.548 58.693 58.100 0.075 0.000 1.281 57 Y CB 0.008 38.519 38.460 0.085 0.000 1.013 57 Y HN 0.244 nan 8.280 nan 0.000 0.554 58 E N -0.047 120.243 120.200 0.150 0.000 2.338 58 E HA -0.155 4.195 4.350 0.000 0.000 0.197 58 E C 1.726 178.304 176.600 -0.037 0.000 1.007 58 E CA 0.515 56.950 56.400 0.058 0.000 0.849 58 E CB 0.000 29.726 29.700 0.042 0.000 0.774 58 E HN 0.464 nan 8.360 nan 0.000 0.506 59 K N 0.403 120.779 120.400 -0.039 0.000 2.283 59 K HA -0.042 4.278 4.320 0.000 0.000 0.202 59 K C 1.822 178.265 176.600 -0.261 0.000 1.048 59 K CA 0.501 56.708 56.287 -0.133 0.000 0.948 59 K CB 0.192 32.648 32.500 -0.073 0.000 0.742 59 K HN -0.057 nan 8.250 nan 0.000 0.458 60 R N 0.384 120.817 120.500 -0.112 0.000 2.210 60 R HA 0.051 4.391 4.340 0.000 0.000 0.203 60 R C 2.149 178.430 176.300 -0.032 0.000 1.010 60 R CA 0.236 56.445 56.100 0.182 0.000 1.008 60 R CB -0.798 29.660 30.300 0.263 0.000 0.923 60 R HN -0.028 nan 8.270 nan 0.000 0.469 61 V N 2.648 122.533 119.914 -0.048 0.000 2.246 61 V HA -0.250 3.870 4.120 0.000 0.000 0.237 61 V C 1.330 177.355 176.094 -0.113 0.000 1.025 61 V CA 2.411 64.706 62.300 -0.007 0.000 0.993 61 V CB -0.354 31.475 31.823 0.009 0.000 0.642 61 V HN 0.312 nan 8.190 nan 0.000 0.466 62 D N 0.164 120.465 120.400 -0.165 0.000 2.328 62 D HA 0.089 4.729 4.640 0.000 0.000 0.226 62 D C 0.843 176.979 176.300 -0.274 0.000 1.066 62 D CA 0.077 53.985 54.000 -0.153 0.000 0.861 62 D CB -0.459 40.288 40.800 -0.089 0.000 0.912 62 D HN 0.445 nan 8.370 nan 0.000 0.521 63 I N 2.077 122.294 120.570 -0.588 0.000 3.322 63 I HA -0.000 4.170 4.170 0.000 0.000 0.324 63 I C 0.854 176.735 176.117 -0.394 0.000 1.144 63 I CA 0.263 61.111 61.300 -0.752 0.000 2.494 63 I CB -0.827 36.183 38.000 -1.651 0.000 1.733 63 I HN -0.116 nan 8.210 nan 0.000 1.185 64 G N 4.055 112.769 108.800 -0.144 0.000 2.384 64 G HA2 0.354 4.314 3.960 0.000 0.000 0.316 64 G HA3 0.354 4.314 3.960 0.000 0.000 0.316 64 G C -0.329 174.623 174.900 0.086 0.000 1.160 64 G CA -0.536 44.591 45.100 0.045 0.000 0.936 64 G HN 0.355 nan 8.290 nan 0.000 0.455 65 N N 2.659 121.549 118.700 0.317 0.000 2.469 65 N HA 0.198 4.938 4.740 0.000 0.000 0.253 65 N C 0.547 176.149 175.510 0.154 0.000 0.970 65 N CA -0.623 52.633 53.050 0.343 0.000 0.940 65 N CB 1.902 40.919 38.487 0.884 0.000 1.128 65 N HN 0.450 nan 8.380 nan 0.000 0.503 66 D N 1.232 121.671 120.400 0.066 0.000 3.146 66 D HA -0.312 4.328 4.640 0.000 0.000 0.362 66 D C 1.202 177.484 176.300 -0.029 0.000 1.082 66 D CA 1.494 55.502 54.000 0.012 0.000 1.135 66 D CB -0.214 40.593 40.800 0.011 0.000 1.068 66 D HN 0.490 nan 8.370 nan 0.000 0.500 67 N N 1.124 119.805 118.700 -0.031 0.000 2.562 67 N HA -0.167 4.573 4.740 0.000 0.000 0.201 67 N C 0.974 176.344 175.510 -0.232 0.000 1.043 67 N CA 1.670 54.654 53.050 -0.109 0.000 0.929 67 N CB -0.322 38.105 38.487 -0.101 0.000 0.945 67 N HN 0.476 nan 8.380 nan 0.000 0.454 68 G N -1.175 107.522 108.800 -0.172 0.000 2.451 68 G HA2 -0.189 3.771 3.960 0.000 0.000 0.208 68 G HA3 -0.189 3.771 3.960 0.000 0.000 0.208 68 G C -0.963 173.820 174.900 -0.195 0.000 1.248 68 G CA -0.209 44.722 45.100 -0.282 0.000 0.989 68 G HN 0.293 nan 8.290 nan 0.000 0.559 69 Y N -1.260 118.781 120.300 -0.432 0.000 3.109 69 Y HA -0.023 4.527 4.550 0.000 0.000 0.211 69 Y C 1.444 177.398 175.900 0.091 0.000 2.479 69 Y CA 0.052 58.071 58.100 -0.135 0.000 1.431 69 Y CB -1.569 36.979 38.460 0.146 0.000 1.929 69 Y HN 0.706 nan 8.280 nan 0.000 0.346 70 F N -0.417 119.696 119.950 0.273 0.000 2.014 70 F HA -0.160 4.367 4.527 0.000 0.000 0.299 70 F C 0.871 176.922 175.800 0.419 0.000 1.224 70 F CA 1.949 60.088 58.000 0.231 0.000 1.200 70 F CB -0.697 38.361 39.000 0.096 0.000 0.948 70 F HN 0.244 nan 8.300 nan 0.000 0.520 71 Y N -1.079 119.444 120.300 0.373 0.000 2.922 71 Y HA -0.066 4.484 4.550 0.000 0.000 0.047 71 Y C -2.309 173.686 175.900 0.159 0.000 2.282 71 Y CA -1.642 56.579 58.100 0.202 0.000 1.121 71 Y CB -2.586 35.950 38.460 0.128 0.000 1.822 71 Y HN 0.015 nan 8.280 nan 0.000 0.293 72 P HA -0.059 nan 4.420 nan 0.000 0.275 72 P C 0.098 177.496 177.300 0.162 0.000 1.227 72 P CA 0.554 63.738 63.100 0.140 0.000 0.808 72 P CB 0.502 32.261 31.700 0.099 0.000 0.858 73 K N 0.923 121.395 120.400 0.119 0.000 3.209 73 K HA 0.326 4.646 4.320 0.000 0.000 0.202 73 K C -0.462 176.186 176.600 0.080 0.000 1.109 73 K CA -0.285 56.068 56.287 0.111 0.000 0.968 73 K CB 0.757 33.317 32.500 0.101 0.000 0.732 73 K HN 0.248 nan 8.250 nan 0.000 0.450 74 R N -0.425 120.119 120.500 0.074 0.000 2.594 74 R HA 0.225 4.565 4.340 0.000 0.000 0.265 74 R C -2.365 173.946 176.300 0.019 0.000 1.070 74 R CA -1.944 54.179 56.100 0.039 0.000 0.909 74 R CB 0.801 31.112 30.300 0.020 0.000 1.243 74 R HN -0.157 nan 8.270 nan 0.000 0.455 75 P HA -0.320 nan 4.420 nan 0.000 0.214 75 P C 0.060 177.239 177.300 -0.200 0.000 1.099 75 P CA 2.115 65.157 63.100 -0.095 0.000 0.976 75 P CB 0.150 31.723 31.700 -0.212 0.000 0.774 76 D N -1.133 119.091 120.400 -0.294 0.000 4.735 76 D HA -0.313 4.327 4.640 0.000 0.000 0.484 76 D C 1.930 178.167 176.300 -0.106 0.000 1.489 76 D CA 2.352 56.215 54.000 -0.228 0.000 1.338 76 D CB -1.824 38.926 40.800 -0.084 0.000 0.466 76 D HN 0.397 nan 8.370 nan 0.000 0.814 77 G N 0.223 109.033 108.800 0.016 0.000 2.866 77 G HA2 -0.143 3.817 3.960 0.000 0.000 0.207 77 G HA3 -0.143 3.817 3.960 0.000 0.000 0.207 77 G C 1.527 176.586 174.900 0.266 0.000 1.402 77 G CA 1.080 46.250 45.100 0.116 0.000 0.830 77 G HN 0.442 nan 8.290 nan 0.000 0.644 78 I N -0.126 120.654 120.570 0.349 0.000 3.402 78 I HA -0.414 3.756 4.170 0.000 0.000 0.191 78 I C 2.553 178.974 176.117 0.507 0.000 0.748 78 I CA 2.501 64.105 61.300 0.507 0.000 1.121 78 I CB -0.555 37.749 38.000 0.506 0.000 0.903 78 I HN 0.210 nan 8.210 nan 0.000 0.319 79 F N 0.514 120.504 119.950 0.067 0.000 2.186 79 F HA -0.125 4.402 4.527 0.000 0.000 0.299 79 F C 2.327 178.149 175.800 0.037 0.000 1.090 79 F CA 0.968 58.987 58.000 0.033 0.000 1.307 79 F CB -1.015 37.977 39.000 -0.013 0.000 1.019 79 F HN 0.027 nan 8.300 nan 0.000 0.489 80 K N 0.990 121.542 120.400 0.254 0.000 1.975 80 K HA -0.210 4.110 4.320 0.000 0.000 0.230 80 K C 1.907 178.596 176.600 0.148 0.000 1.044 80 K CA 1.269 57.647 56.287 0.151 0.000 1.022 80 K CB -0.977 31.585 32.500 0.104 0.000 0.739 80 K HN 0.109 nan 8.250 nan 0.000 0.446 81 R N 0.375 120.959 120.500 0.139 0.000 2.087 81 R HA -0.216 4.124 4.340 0.000 0.000 0.122 81 R C 2.109 178.479 176.300 0.116 0.000 0.504 81 R CA 1.720 57.884 56.100 0.106 0.000 1.601 81 R CB -2.007 28.346 30.300 0.088 0.000 0.464 81 R HN 0.818 nan 8.270 nan 0.000 0.674 82 T N 0.556 115.187 114.554 0.128 0.000 1.646 82 T HA -0.388 3.962 4.350 0.000 0.000 0.088 82 T C 1.811 176.541 174.700 0.050 0.000 1.829 82 T CA 3.371 65.526 62.100 0.092 0.000 0.750 82 T CB -1.683 67.221 68.868 0.059 0.000 0.768 82 T HN 0.680 nan 8.240 nan 0.000 0.392 83 I N 1.678 122.261 120.570 0.022 0.000 4.181 83 I HA -0.479 3.691 4.170 0.000 0.000 0.124 83 I C 2.611 178.728 176.117 -0.001 0.000 0.717 83 I CA 2.988 64.285 61.300 -0.006 0.000 0.854 83 I CB -0.890 37.115 38.000 0.008 0.000 0.676 83 I HN 0.705 nan 8.210 nan 0.000 0.262 84 R N 1.288 121.812 120.500 0.040 0.000 2.292 84 R HA -0.262 4.078 4.340 0.000 0.000 0.268 84 R C 2.324 178.710 176.300 0.144 0.000 1.150 84 R CA 2.126 58.313 56.100 0.146 0.000 0.993 84 R CB -1.846 28.648 30.300 0.324 0.000 0.901 84 R HN 0.868 nan 8.270 nan 0.000 0.470 85 G N 1.516 110.371 108.800 0.091 0.000 2.476 85 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 85 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 85 G C 1.453 176.378 174.900 0.042 0.000 1.164 85 G CA 1.133 46.274 45.100 0.068 0.000 0.768 85 G HN 0.116 nan 8.290 nan 0.000 0.560 86 M N -0.071 119.531 119.600 0.003 0.000 2.144 86 M HA 0.008 4.488 4.480 0.000 0.000 0.260 86 M C 1.417 177.699 176.300 -0.029 0.000 1.067 86 M CA 0.771 56.057 55.300 -0.023 0.000 1.095 86 M CB -1.387 31.182 32.600 -0.052 0.000 1.365 86 M HN 0.056 nan 8.290 nan 0.000 0.406 87 L N -0.507 120.684 121.223 -0.053 0.000 2.777 87 L HA 0.278 4.618 4.340 0.000 0.000 0.195 87 L C -1.556 175.365 176.870 0.084 0.000 1.190 87 L CA -1.227 53.581 54.840 -0.054 0.000 0.933 87 L CB -1.613 40.263 42.059 -0.305 0.000 1.758 87 L HN 0.057 nan 8.230 nan 0.000 0.515 91 K N 1.707 122.138 120.400 0.052 0.000 2.172 91 K HA 0.138 4.458 4.320 0.000 0.000 0.276 91 K C 0.810 177.446 176.600 0.060 0.000 1.013 91 K CA -0.255 56.054 56.287 0.036 0.000 0.913 91 K CB 1.719 34.236 32.500 0.029 0.000 1.055 91 K HN 0.188 nan 8.250 nan 0.000 0.461 92 Q N 2.227 122.050 119.800 0.039 0.000 2.689 92 Q HA -0.466 3.874 4.340 0.000 0.000 0.471 92 Q C 1.400 177.461 176.000 0.101 0.000 0.490 92 Q CA 2.712 58.545 55.803 0.050 0.000 1.012 92 Q CB -0.314 28.444 28.738 0.033 0.000 1.862 92 Q HN 0.689 nan 8.270 nan 0.000 1.107 93 R N -0.425 120.123 120.500 0.080 0.000 2.248 93 R HA -0.303 4.037 4.340 0.000 0.000 0.236 93 R C 2.128 178.517 176.300 0.148 0.000 1.111 93 R CA 2.093 58.241 56.100 0.080 0.000 0.894 93 R CB -1.337 28.986 30.300 0.040 0.000 0.905 93 R HN 0.723 nan 8.270 nan 0.000 0.426 94 G N 0.742 109.650 108.800 0.179 0.000 2.875 94 G HA2 -0.396 3.564 3.960 0.000 0.000 0.227 94 G HA3 -0.396 3.564 3.960 0.000 0.000 0.227 94 G C 1.019 176.649 174.900 1.216 0.000 1.259 94 G CA 1.649 46.948 45.100 0.331 0.000 0.780 94 G HN 0.391 nan 8.290 nan 0.000 0.685 95 R N 0.037 121.307 120.500 1.283 0.000 2.597 95 R HA -0.258 4.082 4.340 0.000 0.000 0.191 95 R C 2.415 179.194 176.300 0.799 0.000 0.925 95 R CA 2.228 58.435 56.100 0.178 0.000 0.704 95 R CB -1.158 29.102 30.300 -0.068 0.000 0.764 95 R HN 0.665 nan 8.270 nan 0.000 0.414 96 E N -0.123 120.251 120.200 0.290 0.000 2.257 96 E HA -0.341 4.009 4.350 0.000 0.000 0.229 96 E C 1.841 178.568 176.600 0.213 0.000 1.089 96 E CA 1.850 58.362 56.400 0.188 0.000 0.947 96 E CB -0.442 29.316 29.700 0.096 0.000 0.808 96 E HN 0.606 nan 8.360 nan 0.000 0.471 97 A N 0.158 123.077 122.820 0.164 0.000 2.204 97 A HA -0.179 4.141 4.320 0.000 0.000 0.220 97 A C 1.562 179.006 177.584 -0.234 0.000 1.165 97 A CA 1.392 53.356 52.037 -0.122 0.000 0.671 97 A CB -0.615 18.193 19.000 -0.321 0.000 0.792 97 A HN 0.254 nan 8.150 nan 0.000 0.473 98 F N -0.886 119.050 119.950 -0.025 0.000 2.678 98 F HA 0.176 4.703 4.527 0.000 0.000 0.291 98 F C 2.060 177.839 175.800 -0.035 0.000 1.123 98 F CA 0.489 58.473 58.000 -0.026 0.000 1.395 98 F CB -0.286 38.702 39.000 -0.022 0.000 1.121 98 F HN 0.255 nan 8.300 nan 0.000 0.592 99 E N -0.204 120.106 120.200 0.182 0.000 2.170 99 E HA -0.057 4.293 4.350 0.000 0.000 0.191 99 E C 2.026 178.629 176.600 0.005 0.000 0.981 99 E CA 0.933 57.373 56.400 0.068 0.000 0.830 99 E CB -0.192 29.537 29.700 0.049 0.000 0.775 99 E HN 0.129 nan 8.360 nan 0.000 0.470 100 S N 0.546 116.245 115.700 -0.002 0.000 2.447 100 S HA -0.024 4.446 4.470 0.000 0.000 0.233 100 S C 0.815 175.372 174.600 -0.072 0.000 1.006 100 S CA 0.303 58.474 58.200 -0.048 0.000 0.957 100 S CB 0.221 63.394 63.200 -0.046 0.000 0.773 100 S HN -0.036 nan 8.310 nan 0.000 0.507 101 V N 1.664 121.539 119.914 -0.065 0.000 2.617 101 V HA 0.573 4.693 4.120 0.000 0.000 0.298 101 V C 0.021 176.061 176.094 -0.089 0.000 1.048 101 V CA -0.568 61.686 62.300 -0.076 0.000 0.964 101 V CB 1.408 33.188 31.823 -0.072 0.000 1.004 101 V HN 0.224 nan 8.190 nan 0.000 0.466 102 R N 1.912 122.332 120.500 -0.132 0.000 2.579 102 R HA 0.686 5.026 4.340 0.000 0.000 0.260 102 R C -1.857 174.154 176.300 -0.482 0.000 1.103 102 R CA -0.468 55.480 56.100 -0.254 0.000 0.942 102 R CB 2.309 32.542 30.300 -0.111 0.000 1.251 102 R HN 0.502 nan 8.270 nan 0.000 0.450 103 V N 1.765 121.162 119.914 -0.861 0.000 3.156 103 V HA 0.728 4.848 4.120 0.000 0.000 0.311 103 V C -1.187 173.992 176.094 -1.524 0.000 1.208 103 V CA -0.863 60.917 62.300 -0.867 0.000 1.063 103 V CB 2.101 33.690 31.823 -0.389 0.000 1.098 103 V HN 0.735 nan 8.190 nan 0.000 0.452 104 Y N -1.718 118.564 120.300 -0.030 0.000 2.779 104 Y HA 0.502 5.052 4.550 0.000 0.000 0.340 104 Y C 0.409 176.267 175.900 -0.070 0.000 1.252 104 Y CA -1.023 57.059 58.100 -0.031 0.000 1.072 104 Y CB 0.972 39.459 38.460 0.046 0.000 1.343 104 Y HN 0.665 nan 8.280 nan 0.000 0.450 105 L N 0.480 121.769 121.223 0.111 0.000 1.829 105 L HA 0.288 4.628 4.340 0.000 0.000 0.232 105 L C 1.745 178.630 176.870 0.025 0.000 1.087 105 L CA 1.487 56.340 54.840 0.022 0.000 0.988 105 L CB -1.186 40.885 42.059 0.019 0.000 0.943 105 L HN 0.809 nan 8.230 nan 0.000 0.499 106 G N -0.089 108.721 108.800 0.017 0.000 2.556 106 G HA2 -0.025 3.935 3.960 0.000 0.000 0.215 106 G HA3 -0.025 3.935 3.960 0.000 0.000 0.215 106 G C 0.155 175.063 174.900 0.014 0.000 1.258 106 G CA 0.699 45.804 45.100 0.008 0.000 0.811 106 G HN 0.743 nan 8.290 nan 0.000 0.557 107 N N -0.392 118.302 118.700 -0.010 0.000 4.389 107 N HA 0.106 4.846 4.740 0.000 0.000 0.182 107 N C -2.516 172.917 175.510 -0.129 0.000 1.101 107 N CA -0.516 52.519 53.050 -0.024 0.000 1.036 107 N CB 2.124 40.606 38.487 -0.008 0.000 1.596 107 N HN 0.185 nan 8.380 nan 0.000 0.880 108 P HA 0.204 nan 4.420 nan 0.000 0.233 108 P C -0.777 176.000 177.300 -0.872 0.000 1.157 108 P CA 0.797 63.490 63.100 -0.679 0.000 0.876 108 P CB 0.643 31.725 31.700 -1.031 0.000 0.947 109 Y N 0.513 120.828 120.300 0.026 0.000 2.346 109 Y HA 0.327 4.877 4.550 0.000 0.000 0.332 109 Y C 0.556 176.483 175.900 0.046 0.000 0.985 109 Y CA -1.367 56.754 58.100 0.035 0.000 1.112 109 Y CB 0.812 39.322 38.460 0.084 0.000 1.170 109 Y HN -0.257 nan 8.280 nan 0.000 0.447 132 L N 2.132 123.373 121.223 0.030 0.000 2.678 132 L HA 0.828 5.168 4.340 0.000 0.000 0.250 132 L C 0.551 177.479 176.870 0.095 0.000 1.455 132 L CA 0.456 55.340 54.840 0.073 0.000 0.823 132 L CB 0.708 42.835 42.059 0.114 0.000 1.107 132 L HN 0.936 nan 8.230 nan 0.000 0.514 133 G N -0.083 108.752 108.800 0.057 0.000 4.890 133 G HA2 0.095 4.055 3.960 0.000 0.000 0.225 133 G HA3 0.095 4.055 3.960 0.000 0.000 0.225 133 G C 0.115 175.034 174.900 0.031 0.000 2.100 133 G CA 0.380 45.506 45.100 0.045 0.000 0.773 133 G HN 0.382 nan 8.290 nan 0.000 0.279 134 E N -0.465 119.752 120.200 0.029 0.000 3.155 134 E HA 0.109 4.459 4.350 0.000 0.000 0.208 134 E C 1.675 178.292 176.600 0.028 0.000 1.060 134 E CA -0.174 56.240 56.400 0.023 0.000 1.522 134 E CB 0.151 29.860 29.700 0.014 0.000 1.433 134 E HN 0.057 nan 8.360 nan 0.000 0.709 135 I N 2.343 122.924 120.570 0.019 0.000 2.091 135 I HA -0.242 3.928 4.170 0.000 0.000 0.239 135 I C 2.503 178.663 176.117 0.071 0.000 1.061 135 I CA 1.607 62.927 61.300 0.033 0.000 1.317 135 I CB -1.928 36.059 38.000 -0.021 0.000 1.031 135 I HN 0.199 nan 8.210 nan 0.000 0.401 136 S N 0.677 116.423 115.700 0.077 0.000 2.249 136 S HA -0.326 4.144 4.470 0.000 0.000 0.410 136 S C 1.882 176.526 174.600 0.073 0.000 1.341 136 S CA 1.918 60.176 58.200 0.097 0.000 2.520 136 S CB -0.720 62.532 63.200 0.086 0.000 0.879 136 S HN 0.554 nan 8.310 nan 0.000 0.355 137 E N -0.237 119.995 120.200 0.054 0.000 2.722 137 E HA -0.429 3.921 4.350 0.000 0.000 0.245 137 E C 1.789 178.417 176.600 0.046 0.000 1.004 137 E CA 3.397 59.822 56.400 0.042 0.000 1.405 137 E CB -1.821 27.898 29.700 0.032 0.000 1.325 137 E HN 0.892 nan 8.360 nan 0.000 0.479 138 T N 0.983 115.565 114.554 0.045 0.000 2.481 138 T HA -0.250 4.100 4.350 0.000 0.000 0.252 138 T C 1.859 176.590 174.700 0.053 0.000 1.242 138 T CA 3.038 65.165 62.100 0.045 0.000 1.170 138 T CB -0.843 68.053 68.868 0.046 0.000 0.860 138 T HN 0.405 nan 8.240 nan 0.000 0.422 139 L N -0.278 120.988 121.223 0.072 0.000 2.645 139 L HA 0.616 4.956 4.340 0.000 0.000 0.234 139 L C 1.647 178.567 176.870 0.082 0.000 1.165 139 L CA 0.847 55.734 54.840 0.080 0.000 0.944 139 L CB -1.391 40.732 42.059 0.107 0.000 1.149 139 L HN 0.791 nan 8.230 nan 0.000 0.446 140 G N -1.283 107.559 108.800 0.070 0.000 3.685 140 G HA2 0.134 4.094 3.960 0.000 0.000 0.215 140 G HA3 0.134 4.094 3.960 0.000 0.000 0.215 140 G C 0.621 175.553 174.900 0.053 0.000 0.987 140 G CA 0.341 45.480 45.100 0.064 0.000 0.884 140 G HN 0.630 nan 8.290 nan 0.000 0.406 141 A N 0.000 122.853 122.820 0.054 0.000 2.254 141 A HA 0.000 4.320 4.320 0.000 0.000 0.244 141 A CA 0.000 52.060 52.037 0.039 0.000 0.836 141 A CB 0.000 19.020 19.000 0.033 0.000 0.831 141 A HN 0.000 nan 8.150 nan 0.000 0.486