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 1fh2_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEEFVEGIY KVEIDTKSYW KALGISPFHE HAEVVFTAND SGPRRYTIAA DATA SEQUENCE LLSPYSYSTT AVVT 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 10 C HA 0.000 nan 4.460 nan 0.000 0.325 10 C C 0.000 174.977 174.990 -0.022 0.000 1.270 10 C CA 0.000 58.995 59.018 -0.039 0.000 1.963 10 C CB 0.000 27.698 27.740 -0.070 0.000 2.134 11 P HA 0.122 nan 4.420 nan 0.000 0.236 11 P C -0.042 177.253 177.300 -0.010 0.000 1.177 11 P CA 0.468 63.598 63.100 0.050 0.000 0.773 11 P CB 0.581 32.364 31.700 0.139 0.000 0.878 12 L N 0.486 121.603 121.223 -0.176 0.000 2.441 12 L HA 0.475 4.815 4.340 0.000 0.000 0.270 12 L C -1.027 175.792 176.870 -0.085 0.000 0.973 12 L CA -0.843 53.884 54.840 -0.189 0.000 0.842 12 L CB 1.485 43.232 42.059 -0.520 0.000 1.239 12 L HN -0.225 nan 8.230 nan 0.000 0.406 13 M N 4.870 124.456 119.600 -0.023 0.000 2.591 13 M HA 0.768 5.248 4.480 0.000 0.000 0.306 13 M C -1.154 175.136 176.300 -0.016 0.000 1.190 13 M CA -1.061 54.242 55.300 0.004 0.000 0.889 13 M CB 2.415 35.040 32.600 0.040 0.000 1.728 13 M HN 0.214 nan 8.290 nan 0.000 0.458 14 V N 1.476 121.372 119.914 -0.029 0.000 2.735 14 V HA 0.631 4.751 4.120 0.000 0.000 0.310 14 V C -0.862 175.198 176.094 -0.056 0.000 1.061 14 V CA -0.728 61.543 62.300 -0.048 0.000 0.913 14 V CB 2.266 34.050 31.823 -0.064 0.000 1.005 14 V HN 0.842 nan 8.190 nan 0.000 0.428 15 K N 2.803 123.171 120.400 -0.054 0.000 2.443 15 K HA 0.814 5.134 4.320 0.000 0.000 0.252 15 K C -1.924 174.632 176.600 -0.073 0.000 0.933 15 K CA -0.445 55.807 56.287 -0.058 0.000 0.792 15 K CB 2.216 34.697 32.500 -0.033 0.000 1.185 15 K HN 0.471 nan 8.250 nan 0.000 0.425 16 V N 5.446 125.299 119.914 -0.102 0.000 2.577 16 V HA 0.513 4.633 4.120 0.000 0.000 0.303 16 V C -0.760 175.250 176.094 -0.139 0.000 1.042 16 V CA -0.838 61.380 62.300 -0.137 0.000 0.872 16 V CB 1.384 33.080 31.823 -0.213 0.000 0.998 16 V HN 0.696 nan 8.190 nan 0.000 0.423 17 L N 3.002 124.163 121.223 -0.104 0.000 2.354 17 L HA 0.660 5.000 4.340 0.000 0.000 0.269 17 L C -0.856 175.986 176.870 -0.047 0.000 1.005 17 L CA -0.595 54.208 54.840 -0.062 0.000 0.819 17 L CB 2.394 44.448 42.059 -0.008 0.000 1.311 17 L HN 0.571 nan 8.230 nan 0.000 0.423 18 D N 1.328 121.727 120.400 -0.002 0.000 2.373 18 D HA 0.359 4.999 4.640 0.000 0.000 0.227 18 D C 0.379 176.790 176.300 0.184 0.000 1.091 18 D CA -0.329 53.734 54.000 0.106 0.000 0.840 18 D CB 2.188 43.059 40.800 0.119 0.000 1.060 18 D HN 0.611 nan 8.370 nan 0.000 0.502 19 A N 3.335 126.302 122.820 0.245 0.000 2.208 19 A HA 0.062 4.382 4.320 0.000 0.000 0.209 19 A C 1.816 179.517 177.584 0.195 0.000 1.161 19 A CA 0.298 52.448 52.037 0.190 0.000 0.782 19 A CB 0.175 19.279 19.000 0.173 0.000 0.816 19 A HN 0.479 nan 8.150 nan 0.000 0.477 20 V N -0.572 119.512 119.914 0.285 0.000 2.426 20 V HA -0.077 4.043 4.120 0.000 0.000 0.242 20 V C 2.304 178.511 176.094 0.189 0.000 1.036 20 V CA 1.822 64.267 62.300 0.242 0.000 1.044 20 V CB -0.457 31.568 31.823 0.337 0.000 0.688 20 V HN 0.524 nan 8.190 nan 0.000 0.462 21 R N 0.020 120.643 120.500 0.204 0.000 2.334 21 R HA 0.360 4.700 4.340 0.000 0.000 0.212 21 R C 1.269 177.630 176.300 0.102 0.000 0.897 21 R CA 0.653 56.835 56.100 0.137 0.000 1.056 21 R CB 0.469 30.851 30.300 0.137 0.000 1.046 21 R HN 0.497 nan 8.270 nan 0.000 0.513 22 G N 1.525 110.388 108.800 0.104 0.000 2.289 22 G HA2 -0.279 3.681 3.960 0.000 0.000 0.280 22 G HA3 -0.279 3.681 3.960 0.000 0.000 0.280 22 G C -0.191 174.744 174.900 0.058 0.000 1.089 22 G CA 0.443 45.587 45.100 0.074 0.000 0.939 22 G HN 0.432 nan 8.290 nan 0.000 0.499 23 S N -1.633 114.105 115.700 0.062 0.000 2.638 23 S HA 0.890 5.361 4.470 0.000 0.000 0.274 23 S C -3.071 171.541 174.600 0.021 0.000 1.157 23 S CA -1.487 56.738 58.200 0.042 0.000 0.826 23 S CB 2.954 66.185 63.200 0.051 0.000 1.139 23 S HN 0.113 nan 8.310 nan 0.000 0.474 24 P HA 0.333 nan 4.420 nan 0.000 0.267 24 P C -0.918 176.352 177.300 -0.050 0.000 1.200 24 P CA -0.092 62.988 63.100 -0.033 0.000 0.772 24 P CB 0.173 31.854 31.700 -0.031 0.000 0.855 25 A N 3.800 126.530 122.820 -0.151 0.000 2.279 25 A HA 0.433 4.753 4.320 0.000 0.000 0.306 25 A C 0.049 177.524 177.584 -0.181 0.000 1.300 25 A CA -0.412 51.443 52.037 -0.303 0.000 0.925 25 A CB -0.768 17.783 19.000 -0.748 0.000 1.152 25 A HN 0.454 nan 8.150 nan 0.000 0.544 26 I N 2.114 122.684 120.570 -0.001 0.000 2.437 26 I HA 0.250 4.420 4.170 0.000 0.000 0.298 26 I C 0.785 176.916 176.117 0.024 0.000 0.984 26 I CA -0.489 60.809 61.300 -0.004 0.000 1.214 26 I CB 1.121 39.130 38.000 0.015 0.000 1.365 26 I HN 0.813 nan 8.210 nan 0.000 0.469 27 N N 2.423 121.109 118.700 -0.024 0.000 2.776 27 N HA -0.138 4.602 4.740 0.000 0.000 0.249 27 N C -0.847 174.656 175.510 -0.012 0.000 1.111 27 N CA 0.196 53.235 53.050 -0.018 0.000 0.711 27 N CB -0.420 38.070 38.487 0.005 0.000 1.065 27 N HN 0.230 nan 8.380 nan 0.000 0.556 28 V N 0.965 120.841 119.914 -0.063 0.000 2.465 28 V HA 0.551 4.671 4.120 0.000 0.000 0.279 28 V C 0.917 176.961 176.094 -0.084 0.000 1.045 28 V CA -0.435 61.814 62.300 -0.085 0.000 0.938 28 V CB 1.557 33.247 31.823 -0.223 0.000 0.986 28 V HN 0.318 nan 8.190 nan 0.000 0.467 29 A N 5.231 128.024 122.820 -0.046 0.000 2.354 29 A HA 0.724 5.044 4.320 0.000 0.000 0.269 29 A C -0.473 177.073 177.584 -0.064 0.000 1.109 29 A CA -0.301 51.702 52.037 -0.057 0.000 0.800 29 A CB 0.684 19.694 19.000 0.016 0.000 1.045 29 A HN 0.742 nan 8.150 nan 0.000 0.489 30 V N 3.698 123.515 119.914 -0.162 0.000 2.686 30 V HA 0.397 4.517 4.120 0.000 0.000 0.306 30 V C -0.682 175.229 176.094 -0.306 0.000 1.065 30 V CA -0.650 61.566 62.300 -0.139 0.000 0.894 30 V CB 1.760 33.503 31.823 -0.133 0.000 1.004 30 V HN 0.967 nan 8.190 nan 0.000 0.424 31 H N 2.417 121.408 119.070 -0.133 0.000 2.495 31 H HA 0.682 5.238 4.556 0.000 0.000 0.348 31 H C -1.179 173.930 175.328 -0.367 0.000 1.113 31 H CA -0.502 55.376 56.048 -0.284 0.000 1.195 31 H CB 2.624 32.220 29.762 -0.276 0.000 1.521 31 H HN 0.429 nan 8.280 nan 0.000 0.509 32 V N 4.527 124.224 119.914 -0.361 0.000 2.495 32 V HA 0.342 4.462 4.120 0.000 0.000 0.298 32 V C -0.563 175.315 176.094 -0.360 0.000 1.031 32 V CA -0.652 61.541 62.300 -0.179 0.000 0.871 32 V CB 1.071 32.951 31.823 0.096 0.000 0.988 32 V HN 0.487 nan 8.190 nan 0.000 0.432 33 F N 2.679 122.717 119.950 0.146 0.000 2.546 33 F HA 0.701 5.228 4.527 0.000 0.000 0.320 33 F C 0.232 176.133 175.800 0.169 0.000 1.076 33 F CA -0.762 57.344 58.000 0.177 0.000 0.928 33 F CB 1.987 41.025 39.000 0.064 0.000 1.189 33 F HN 0.284 nan 8.300 nan 0.000 0.465 34 R N 1.819 122.511 120.500 0.321 0.000 2.562 34 R HA 0.328 4.668 4.340 0.000 0.000 0.298 34 R C -0.725 175.598 176.300 0.038 0.000 0.961 34 R CA -0.916 55.121 56.100 -0.104 0.000 0.881 34 R CB 1.444 31.511 30.300 -0.389 0.000 1.159 34 R HN 0.635 nan 8.270 nan 0.000 0.450 35 K N 2.526 122.795 120.400 -0.217 0.000 2.378 35 K HA 0.152 4.472 4.320 0.000 0.000 0.288 35 K C -0.714 175.678 176.600 -0.347 0.000 1.057 35 K CA -0.024 55.939 56.287 -0.541 0.000 0.971 35 K CB 0.874 32.914 32.500 -0.767 0.000 0.975 35 K HN 0.634 nan 8.250 nan 0.000 0.475 36 A N 3.257 125.906 122.820 -0.284 0.000 2.354 36 A HA 0.387 4.707 4.320 0.000 0.000 0.269 36 A C -0.026 177.450 177.584 -0.182 0.000 1.109 36 A CA -0.380 51.554 52.037 -0.171 0.000 0.800 36 A CB 0.657 19.595 19.000 -0.103 0.000 1.045 36 A HN 0.838 nan 8.150 nan 0.000 0.489 37 A N 2.524 125.264 122.820 -0.133 0.000 2.526 37 A HA 0.427 4.747 4.320 0.000 0.000 0.287 37 A C 0.560 178.080 177.584 -0.106 0.000 1.232 37 A CA 0.935 52.902 52.037 -0.117 0.000 0.900 37 A CB -0.404 18.545 19.000 -0.085 0.000 1.077 37 A HN 0.903 nan 8.150 nan 0.000 0.535 38 D N 0.331 120.654 120.400 -0.128 0.000 4.298 38 D HA -0.108 4.532 4.640 0.000 0.000 0.242 38 D C -0.094 176.108 176.300 -0.162 0.000 0.396 38 D CA 0.773 54.700 54.000 -0.120 0.000 0.661 38 D CB -1.015 39.723 40.800 -0.102 0.000 1.605 38 D HN 0.630 nan 8.370 nan 0.000 0.099 39 D N -0.025 120.235 120.400 -0.233 0.000 3.017 39 D HA -0.127 4.513 4.640 0.000 0.000 0.220 39 D C -0.563 175.488 176.300 -0.416 0.000 1.141 39 D CA 1.510 55.305 54.000 -0.342 0.000 0.848 39 D CB -1.002 39.643 40.800 -0.259 0.000 1.102 39 D HN 0.152 nan 8.370 nan 0.000 0.427 40 T N -0.642 113.710 114.554 -0.336 0.000 2.867 40 T HA 0.476 4.826 4.350 0.000 0.000 0.282 40 T C -0.429 174.091 174.700 -0.300 0.000 1.000 40 T CA -0.403 61.529 62.100 -0.280 0.000 1.042 40 T CB 0.678 69.473 68.868 -0.122 0.000 0.973 40 T HN 0.131 nan 8.240 nan 0.000 0.465 41 W N 3.160 124.407 121.300 -0.088 0.000 2.311 41 W HA 0.338 4.998 4.660 0.000 0.000 0.310 41 W C 0.771 177.322 176.519 0.054 0.000 1.274 41 W CA -0.510 56.793 57.345 -0.071 0.000 1.215 41 W CB 0.389 29.692 29.460 -0.262 0.000 1.227 41 W HN 0.555 nan 8.180 nan 0.000 0.523 42 E N 5.863 126.301 120.200 0.397 0.000 2.151 42 E HA 0.337 4.687 4.350 0.000 0.000 0.275 42 E C -2.329 174.568 176.600 0.495 0.000 0.936 42 E CA -2.584 54.025 56.400 0.348 0.000 0.777 42 E CB 1.374 31.193 29.700 0.198 0.000 1.108 42 E HN 0.014 nan 8.360 nan 0.000 0.401 43 P HA -0.033 nan 4.420 nan 0.000 0.264 43 P C -0.994 176.436 177.300 0.216 0.000 1.183 43 P CA 0.411 63.643 63.100 0.221 0.000 0.763 43 P CB 0.246 32.043 31.700 0.163 0.000 0.807 44 F N 2.761 122.680 119.950 -0.051 0.000 2.570 44 F HA 0.579 5.106 4.527 0.000 0.000 0.290 44 F C -0.062 175.718 175.800 -0.033 0.000 0.910 44 F CA 0.565 58.576 58.000 0.018 0.000 1.119 44 F CB 0.429 39.500 39.000 0.118 0.000 0.922 44 F HN 0.395 nan 8.300 nan 0.000 0.703 45 A N -0.208 122.574 122.820 -0.063 0.000 2.586 45 A HA 0.688 5.009 4.320 0.000 0.000 0.291 45 A C -1.129 176.340 177.584 -0.192 0.000 1.062 45 A CA 0.113 52.051 52.037 -0.165 0.000 0.666 45 A CB 0.712 19.625 19.000 -0.145 0.000 1.281 45 A HN 0.593 nan 8.150 nan 0.000 0.421 46 S N -0.806 114.759 115.700 -0.225 0.000 2.611 46 S HA 0.969 5.439 4.470 0.000 0.000 0.268 46 S C -0.253 174.185 174.600 -0.270 0.000 1.156 46 S CA 0.027 58.024 58.200 -0.338 0.000 0.817 46 S CB 1.062 63.933 63.200 -0.548 0.000 1.122 46 S HN 2.717 nan 8.310 nan 0.000 0.466 47 G N 0.257 108.881 108.800 -0.294 0.000 2.342 47 G HA2 0.558 4.518 3.960 0.000 0.000 0.297 47 G HA3 0.558 4.518 3.960 0.000 0.000 0.297 47 G C -2.357 172.426 174.900 -0.194 0.000 1.313 47 G CA -0.904 44.072 45.100 -0.206 0.000 0.830 47 G HN 0.734 nan 8.290 nan 0.000 0.506 48 K N 0.240 120.551 120.400 -0.149 0.000 2.318 48 K HA 0.643 4.964 4.320 0.000 0.000 0.249 48 K C 0.136 176.658 176.600 -0.129 0.000 0.942 48 K CA -0.639 55.573 56.287 -0.124 0.000 0.808 48 K CB 2.019 34.464 32.500 -0.090 0.000 1.189 48 K HN 0.776 nan 8.250 nan 0.000 0.428 49 T N -0.916 113.562 114.554 -0.126 0.000 2.898 49 T HA 0.120 4.471 4.350 0.000 0.000 0.301 49 T C 0.738 175.368 174.700 -0.117 0.000 1.049 49 T CA -0.801 61.217 62.100 -0.137 0.000 1.095 49 T CB 1.026 69.809 68.868 -0.142 0.000 0.976 49 T HN 0.569 nan 8.240 nan 0.000 0.539 50 S N 0.971 116.593 115.700 -0.130 0.000 2.661 50 S HA 0.216 4.686 4.470 0.000 0.000 0.265 50 S C 1.091 175.648 174.600 -0.072 0.000 1.225 50 S CA -0.597 57.541 58.200 -0.103 0.000 0.986 50 S CB 0.382 63.507 63.200 -0.126 0.000 1.008 50 S HN 0.785 nan 8.310 nan 0.000 0.565 51 E N 0.386 120.555 120.200 -0.051 0.000 2.267 51 E HA -0.100 4.251 4.350 0.000 0.000 0.197 51 E C 1.550 178.132 176.600 -0.031 0.000 0.998 51 E CA 1.354 57.734 56.400 -0.032 0.000 0.830 51 E CB -0.156 29.531 29.700 -0.021 0.000 0.751 51 E HN 0.735 nan 8.360 nan 0.000 0.491 52 S N -1.572 114.105 115.700 -0.039 0.000 2.614 52 S HA 0.275 4.745 4.470 0.000 0.000 0.230 52 S C 1.344 175.916 174.600 -0.047 0.000 0.952 52 S CA 0.088 58.270 58.200 -0.031 0.000 0.949 52 S CB 0.533 63.723 63.200 -0.016 0.000 0.786 52 S HN 0.306 nan 8.310 nan 0.000 0.478 53 G N 0.388 109.146 108.800 -0.069 0.000 2.153 53 G HA2 -0.249 3.711 3.960 0.000 0.000 0.252 53 G HA3 -0.249 3.711 3.960 0.000 0.000 0.252 53 G C -0.263 174.574 174.900 -0.105 0.000 0.994 53 G CA 0.368 45.412 45.100 -0.094 0.000 0.698 53 G HN 0.625 nan 8.290 nan 0.000 0.521 54 E N -1.258 118.873 120.200 -0.115 0.000 2.263 54 E HA 0.771 5.122 4.350 0.000 0.000 0.264 54 E C -0.868 175.593 176.600 -0.232 0.000 0.923 54 E CA -1.079 55.238 56.400 -0.138 0.000 0.802 54 E CB 2.141 31.784 29.700 -0.096 0.000 1.228 54 E HN 0.202 nan 8.360 nan 0.000 0.417 55 L N 3.140 124.225 121.223 -0.231 0.000 2.441 55 L HA 0.338 4.678 4.340 0.000 0.000 0.270 55 L C -1.216 175.516 176.870 -0.230 0.000 0.973 55 L CA -0.149 54.526 54.840 -0.274 0.000 0.842 55 L CB 0.850 42.802 42.059 -0.179 0.000 1.239 55 L HN 0.679 nan 8.230 nan 0.000 0.406 56 H N 2.134 121.160 119.070 -0.072 0.000 2.949 56 H HA 0.686 5.242 4.556 0.000 0.000 0.310 56 H C 0.418 175.699 175.328 -0.079 0.000 1.405 56 H CA -1.019 54.984 56.048 -0.074 0.000 1.253 56 H CB 1.487 31.212 29.762 -0.062 0.000 1.932 56 H HN 0.727 nan 8.280 nan 0.000 0.602 57 G N 0.233 109.109 108.800 0.126 0.000 2.198 57 G HA2 -0.257 3.703 3.960 0.000 0.000 0.257 57 G HA3 -0.257 3.703 3.960 0.000 0.000 0.257 57 G C 0.596 175.473 174.900 -0.038 0.000 1.042 57 G CA 0.566 45.685 45.100 0.032 0.000 0.791 57 G HN 0.523 nan 8.290 nan 0.000 0.502 58 L N -1.199 119.987 121.223 -0.061 0.000 2.179 58 L HA 0.267 4.608 4.340 0.000 0.000 0.208 58 L C 1.652 178.448 176.870 -0.123 0.000 1.096 58 L CA 1.697 56.479 54.840 -0.097 0.000 0.779 58 L CB 0.132 42.138 42.059 -0.088 0.000 0.922 58 L HN 0.471 nan 8.230 nan 0.000 0.443 59 T N -1.917 112.573 114.554 -0.107 0.000 2.731 59 T HA 0.428 4.778 4.350 0.000 0.000 0.300 59 T C -0.839 173.839 174.700 -0.037 0.000 1.283 59 T CA -0.231 61.822 62.100 -0.078 0.000 1.005 59 T CB 1.739 70.632 68.868 0.041 0.000 1.420 59 T HN 0.140 nan 8.240 nan 0.000 0.503 60 T N -0.998 113.576 114.554 0.033 0.000 2.930 60 T HA 0.550 4.900 4.350 0.000 0.000 0.290 60 T C 0.891 175.672 174.700 0.135 0.000 1.052 60 T CA -0.593 61.540 62.100 0.054 0.000 1.017 60 T CB 1.700 70.594 68.868 0.043 0.000 1.137 60 T HN 0.657 nan 8.240 nan 0.000 0.511 61 E N -0.184 120.089 120.200 0.122 0.000 2.153 61 E HA -0.143 4.207 4.350 0.000 0.000 0.194 61 E C 1.718 178.421 176.600 0.172 0.000 0.988 61 E CA 0.924 57.426 56.400 0.170 0.000 0.811 61 E CB 0.052 29.824 29.700 0.121 0.000 0.746 61 E HN 0.744 nan 8.360 nan 0.000 0.466 62 E N 0.554 120.831 120.200 0.129 0.000 2.150 62 E HA -0.168 4.182 4.350 0.000 0.000 0.193 62 E C 1.553 178.248 176.600 0.158 0.000 0.985 62 E CA 1.011 57.482 56.400 0.118 0.000 0.814 62 E CB 0.097 29.846 29.700 0.081 0.000 0.752 62 E HN 0.225 nan 8.360 nan 0.000 0.466 63 E N -1.417 118.904 120.200 0.202 0.000 2.385 63 E HA -0.048 4.303 4.350 0.000 0.000 0.194 63 E C -0.266 176.608 176.600 0.456 0.000 1.013 63 E CA -0.204 56.364 56.400 0.280 0.000 0.866 63 E CB 0.096 29.934 29.700 0.231 0.000 0.832 63 E HN 0.107 nan 8.360 nan 0.000 0.500 64 F N 2.949 123.028 119.950 0.215 0.000 2.605 64 F HA 0.136 4.663 4.527 0.000 0.000 0.352 64 F C 0.002 175.874 175.800 0.119 0.000 1.236 64 F CA -1.159 56.940 58.000 0.165 0.000 1.267 64 F CB -0.295 38.748 39.000 0.073 0.000 1.632 64 F HN -0.245 nan 8.300 nan 0.000 0.639 65 V N 1.093 121.049 119.914 0.071 0.000 3.036 65 V HA 0.402 4.522 4.120 0.000 0.000 0.308 65 V C 0.427 176.448 176.094 -0.122 0.000 1.070 65 V CA -1.158 61.133 62.300 -0.015 0.000 1.056 65 V CB 0.801 32.649 31.823 0.042 0.000 1.084 65 V HN 0.468 nan 8.190 nan 0.000 0.471 66 E N 1.091 121.234 120.200 -0.095 0.000 2.481 66 E HA 0.438 4.788 4.350 0.000 0.000 0.263 66 E C 0.385 176.935 176.600 -0.083 0.000 0.992 66 E CA 1.161 57.509 56.400 -0.088 0.000 0.938 66 E CB 0.448 30.120 29.700 -0.047 0.000 0.933 66 E HN 1.196 nan 8.360 nan 0.000 0.453 67 G N 1.770 110.518 108.800 -0.087 0.000 2.317 67 G HA2 0.248 4.208 3.960 0.000 0.000 0.293 67 G HA3 0.248 4.208 3.960 0.000 0.000 0.293 67 G C -1.389 173.363 174.900 -0.248 0.000 1.287 67 G CA -1.033 43.932 45.100 -0.226 0.000 0.850 67 G HN 0.389 nan 8.290 nan 0.000 0.515 68 I N 0.558 120.901 120.570 -0.379 0.000 2.377 68 I HA 0.508 4.678 4.170 0.000 0.000 0.293 68 I C -1.014 174.875 176.117 -0.380 0.000 0.987 68 I CA -0.652 60.491 61.300 -0.261 0.000 1.185 68 I CB 1.538 39.456 38.000 -0.136 0.000 1.341 68 I HN 0.397 nan 8.210 nan 0.000 0.455 69 Y N 4.844 124.928 120.300 -0.360 0.000 2.485 69 Y HA 0.472 5.023 4.550 0.000 0.000 0.345 69 Y C -0.076 175.652 175.900 -0.287 0.000 0.998 69 Y CA -0.801 57.084 58.100 -0.357 0.000 1.059 69 Y CB 2.053 40.081 38.460 -0.721 0.000 1.234 69 Y HN 0.378 nan 8.280 nan 0.000 0.461 70 K N 2.274 122.644 120.400 -0.050 0.000 2.345 70 K HA 0.712 5.032 4.320 0.000 0.000 0.255 70 K C -2.023 174.602 176.600 0.042 0.000 0.934 70 K CA -0.609 55.555 56.287 -0.204 0.000 0.801 70 K CB 1.614 33.541 32.500 -0.954 0.000 1.137 70 K HN 0.548 nan 8.250 nan 0.000 0.424 71 V N 3.847 123.819 119.914 0.097 0.000 2.384 71 V HA 0.276 4.396 4.120 0.000 0.000 0.287 71 V C -0.455 175.661 176.094 0.036 0.000 1.020 71 V CA -0.704 61.656 62.300 0.101 0.000 0.850 71 V CB 1.329 33.235 31.823 0.139 0.000 0.987 71 V HN 0.818 nan 8.190 nan 0.000 0.436 72 E N 5.238 125.463 120.200 0.042 0.000 2.145 72 E HA 0.580 4.930 4.350 0.000 0.000 0.270 72 E C -1.318 175.274 176.600 -0.012 0.000 0.906 72 E CA -0.613 55.773 56.400 -0.024 0.000 0.761 72 E CB 1.356 31.039 29.700 -0.028 0.000 1.116 72 E HN 0.656 nan 8.360 nan 0.000 0.408 73 I N 3.647 124.188 120.570 -0.049 0.000 2.339 73 I HA 0.138 4.308 4.170 0.000 0.000 0.290 73 I C -0.198 175.913 176.117 -0.010 0.000 0.994 73 I CA -0.745 60.523 61.300 -0.053 0.000 1.191 73 I CB 1.475 39.403 38.000 -0.121 0.000 1.343 73 I HN 0.478 nan 8.210 nan 0.000 0.458 74 D N 4.802 125.212 120.400 0.018 0.000 2.517 74 D HA 0.039 4.680 4.640 0.000 0.000 0.220 74 D C 1.355 177.680 176.300 0.042 0.000 1.158 74 D CA -0.109 53.930 54.000 0.064 0.000 0.992 74 D CB 0.630 41.480 40.800 0.083 0.000 1.058 74 D HN 0.668 nan 8.370 nan 0.000 0.516 75 T N -0.096 114.489 114.554 0.052 0.000 2.985 75 T HA -0.086 4.265 4.350 0.000 0.000 0.266 75 T C 1.747 176.559 174.700 0.187 0.000 1.076 75 T CA 0.518 62.649 62.100 0.053 0.000 1.135 75 T CB 0.135 69.072 68.868 0.116 0.000 0.890 75 T HN 0.254 nan 8.240 nan 0.000 0.480 76 K N 1.323 121.838 120.400 0.193 0.000 2.025 76 K HA -0.059 4.261 4.320 0.000 0.000 0.207 76 K C 2.485 179.184 176.600 0.164 0.000 1.049 76 K CA 1.427 57.839 56.287 0.209 0.000 0.933 76 K CB -0.316 32.258 32.500 0.124 0.000 0.714 76 K HN 0.312 nan 8.250 nan 0.000 0.438 77 S N 0.135 115.900 115.700 0.109 0.000 2.400 77 S HA -0.184 4.286 4.470 0.000 0.000 0.232 77 S C 1.576 176.206 174.600 0.049 0.000 1.025 77 S CA 1.308 59.551 58.200 0.072 0.000 0.993 77 S CB -0.459 62.776 63.200 0.058 0.000 0.808 77 S HN 0.446 nan 8.310 nan 0.000 0.478 78 Y N 0.702 120.937 120.300 -0.108 0.000 2.145 78 Y HA -0.164 4.387 4.550 0.000 0.000 0.286 78 Y C 1.841 177.599 175.900 -0.237 0.000 1.145 78 Y CA 1.303 59.253 58.100 -0.249 0.000 1.148 78 Y CB -0.471 37.723 38.460 -0.444 0.000 0.981 78 Y HN 0.268 nan 8.280 nan 0.000 0.507 79 W N 0.738 122.065 121.300 0.045 0.000 2.388 79 W HA -0.076 4.584 4.660 0.000 0.000 0.294 79 W C 2.374 178.849 176.519 -0.074 0.000 1.212 79 W CA 1.064 58.387 57.345 -0.037 0.000 1.271 79 W CB -0.164 29.336 29.460 0.067 0.000 1.126 79 W HN -0.120 nan 8.180 nan 0.000 0.535 80 K N 0.329 120.832 120.400 0.171 0.000 2.103 80 K HA -0.159 4.161 4.320 0.000 0.000 0.207 80 K C 2.231 178.841 176.600 0.015 0.000 1.048 80 K CA 1.488 57.826 56.287 0.085 0.000 0.930 80 K CB -0.543 31.997 32.500 0.067 0.000 0.716 80 K HN 0.112 nan 8.250 nan 0.000 0.444 81 A N 1.005 123.793 122.820 -0.054 0.000 1.978 81 A HA -0.121 4.199 4.320 0.000 0.000 0.220 81 A C 1.856 179.378 177.584 -0.102 0.000 1.170 81 A CA 1.242 53.221 52.037 -0.096 0.000 0.636 81 A CB -0.429 18.473 19.000 -0.163 0.000 0.810 81 A HN 0.199 nan 8.150 nan 0.000 0.448 82 L N -1.475 119.681 121.223 -0.112 0.000 2.592 82 L HA 0.201 4.541 4.340 0.000 0.000 0.227 82 L C 1.531 178.418 176.870 0.028 0.000 1.127 82 L CA 0.503 55.310 54.840 -0.056 0.000 0.884 82 L CB -0.288 41.749 42.059 -0.037 0.000 1.065 82 L HN 0.584 nan 8.230 nan 0.000 0.457 83 G N 1.449 110.273 108.800 0.039 0.000 2.137 83 G HA2 -0.270 3.690 3.960 0.000 0.000 0.237 83 G HA3 -0.270 3.690 3.960 0.000 0.000 0.237 83 G C -0.037 174.907 174.900 0.073 0.000 1.002 83 G CA -0.088 45.042 45.100 0.049 0.000 0.702 83 G HN 0.319 nan 8.290 nan 0.000 0.515 84 I N 0.622 121.263 120.570 0.118 0.000 2.433 84 I HA 0.443 4.613 4.170 0.000 0.000 0.292 84 I C 0.518 176.685 176.117 0.084 0.000 1.001 84 I CA -0.805 60.555 61.300 0.100 0.000 1.119 84 I CB 2.132 40.201 38.000 0.114 0.000 1.289 84 I HN 0.069 nan 8.210 nan 0.000 0.438 85 S N 7.569 123.292 115.700 0.039 0.000 2.430 85 S HA 0.347 4.817 4.470 0.000 0.000 0.282 85 S C -2.073 172.475 174.600 -0.087 0.000 1.186 85 S CA -1.033 57.177 58.200 0.017 0.000 1.060 85 S CB 0.151 63.376 63.200 0.041 0.000 0.966 85 S HN 0.383 nan 8.310 nan 0.000 0.501 86 P HA 0.298 nan 4.420 nan 0.000 0.285 86 P C 0.301 177.386 177.300 -0.357 0.000 1.285 86 P CA -0.712 62.210 63.100 -0.296 0.000 0.854 86 P CB 0.826 32.528 31.700 0.004 0.000 1.180 87 F N 0.629 120.133 119.950 -0.744 0.000 2.220 87 F HA 0.090 4.617 4.527 0.000 0.000 0.290 87 F C 0.881 176.437 175.800 -0.406 0.000 1.080 87 F CA 0.833 58.425 58.000 -0.679 0.000 1.318 87 F CB -0.585 37.848 39.000 -0.944 0.000 1.063 87 F HN 0.292 nan 8.300 nan 0.000 0.498 88 H N 0.577 119.585 119.070 -0.102 0.000 2.562 88 H HA 0.158 4.714 4.556 0.000 0.000 0.352 88 H C 1.207 176.449 175.328 -0.144 0.000 1.125 88 H CA -0.136 55.841 56.048 -0.119 0.000 1.379 88 H CB 0.754 30.612 29.762 0.160 0.000 1.464 88 H HN 0.042 nan 8.280 nan 0.000 0.563 89 E N 1.572 121.692 120.200 -0.134 0.000 2.107 89 E HA -0.071 4.279 4.350 0.000 0.000 0.191 89 E C 0.380 176.930 176.600 -0.083 0.000 0.982 89 E CA 1.167 57.464 56.400 -0.171 0.000 0.809 89 E CB 0.148 29.651 29.700 -0.328 0.000 0.756 89 E HN 0.783 nan 8.360 nan 0.000 0.459 90 H N -3.411 115.698 119.070 0.065 0.000 2.887 90 H HA 0.659 5.215 4.556 0.000 0.000 0.290 90 H C -1.342 173.930 175.328 -0.093 0.000 1.429 90 H CA -0.859 55.189 56.048 0.000 0.000 1.137 90 H CB 0.912 30.665 29.762 -0.014 0.000 1.824 90 H HN -0.053 nan 8.280 nan 0.000 0.520 91 A N 1.097 123.896 122.820 -0.035 0.000 2.342 91 A HA 0.490 4.810 4.320 0.000 0.000 0.323 91 A C -0.531 176.999 177.584 -0.090 0.000 1.125 91 A CA -0.753 51.048 52.037 -0.394 0.000 0.785 91 A CB 1.211 19.552 19.000 -1.099 0.000 1.221 91 A HN 0.591 nan 8.150 nan 0.000 0.463 92 E N 1.236 121.458 120.200 0.037 0.000 2.238 92 E HA 0.563 4.914 4.350 0.000 0.000 0.267 92 E C -1.432 175.223 176.600 0.091 0.000 0.887 92 E CA -0.864 55.566 56.400 0.049 0.000 0.769 92 E CB 2.397 32.135 29.700 0.063 0.000 1.187 92 E HN 0.282 nan 8.360 nan 0.000 0.416 93 V N 2.291 122.260 119.914 0.091 0.000 2.482 93 V HA 0.258 4.378 4.120 0.000 0.000 0.295 93 V C -0.504 175.732 176.094 0.236 0.000 1.026 93 V CA -0.809 61.593 62.300 0.170 0.000 0.856 93 V CB 1.721 33.639 31.823 0.158 0.000 1.001 93 V HN 0.436 nan 8.190 nan 0.000 0.424 94 V N 6.542 126.603 119.914 0.244 0.000 2.448 94 V HA 0.734 4.854 4.120 0.000 0.000 0.295 94 V C -0.553 175.753 176.094 0.353 0.000 1.025 94 V CA -0.536 61.900 62.300 0.226 0.000 0.859 94 V CB 1.294 33.214 31.823 0.162 0.000 0.988 94 V HN 0.817 nan 8.190 nan 0.000 0.431 95 F N 1.051 121.089 119.950 0.148 0.000 2.668 95 F HA 0.760 5.287 4.527 0.000 0.000 0.309 95 F C -0.353 175.529 175.800 0.137 0.000 1.117 95 F CA -0.904 57.173 58.000 0.128 0.000 0.951 95 F CB 1.289 40.351 39.000 0.104 0.000 1.323 95 F HN 0.247 nan 8.300 nan 0.000 0.451 96 T N 2.203 116.870 114.554 0.188 0.000 2.817 96 T HA 0.645 4.995 4.350 0.000 0.000 0.293 96 T C -0.041 174.763 174.700 0.174 0.000 0.964 96 T CA -0.032 62.120 62.100 0.086 0.000 1.085 96 T CB 1.022 69.945 68.868 0.091 0.000 0.921 96 T HN 0.896 nan 8.240 nan 0.000 0.502 97 A N 4.292 127.115 122.820 0.005 0.000 2.274 97 A HA 0.615 4.935 4.320 0.000 0.000 0.309 97 A C 0.071 177.670 177.584 0.026 0.000 1.226 97 A CA -0.741 51.259 52.037 -0.062 0.000 0.853 97 A CB 0.236 18.889 19.000 -0.579 0.000 1.146 97 A HN 0.707 nan 8.150 nan 0.000 0.518 98 N N 1.496 120.293 118.700 0.162 0.000 2.342 98 N HA 0.246 4.986 4.740 0.000 0.000 0.293 98 N C -0.312 175.265 175.510 0.110 0.000 1.026 98 N CA -0.506 52.606 53.050 0.104 0.000 0.857 98 N CB 2.060 40.611 38.487 0.107 0.000 1.256 98 N HN 0.598 nan 8.380 nan 0.000 0.484 99 D N 0.481 120.918 120.400 0.060 0.000 2.194 99 D HA -0.071 4.570 4.640 0.000 0.000 0.204 99 D C 1.296 177.628 176.300 0.054 0.000 0.964 99 D CA 0.822 54.859 54.000 0.061 0.000 0.846 99 D CB 0.279 41.102 40.800 0.039 0.000 0.962 99 D HN 0.530 nan 8.370 nan 0.000 0.490 100 S N 0.919 116.646 115.700 0.044 0.000 2.433 100 S HA -0.246 4.224 4.470 0.000 0.000 0.270 100 S C 1.673 176.292 174.600 0.031 0.000 1.068 100 S CA 1.498 59.719 58.200 0.035 0.000 1.375 100 S CB -1.464 61.758 63.200 0.036 0.000 1.255 100 S HN 0.354 nan 8.310 nan 0.000 0.442 101 G N 3.620 112.442 108.800 0.037 0.000 2.418 101 G HA2 0.367 4.327 3.960 0.000 0.000 0.276 101 G HA3 0.367 4.327 3.960 0.000 0.000 0.276 101 G C -2.470 172.423 174.900 -0.011 0.000 1.442 101 G CA -0.617 44.491 45.100 0.014 0.000 1.066 101 G HN 0.426 nan 8.290 nan 0.000 0.553 102 P HA 0.182 nan 4.420 nan 0.000 0.272 102 P C 0.468 177.682 177.300 -0.143 0.000 1.240 102 P CA -0.206 62.827 63.100 -0.113 0.000 0.791 102 P CB 0.618 32.214 31.700 -0.173 0.000 0.978 103 R N 0.488 120.928 120.500 -0.101 0.000 2.225 103 R HA 0.193 4.533 4.340 0.000 0.000 0.194 103 R C 0.375 176.678 176.300 0.005 0.000 0.957 103 R CA 0.436 56.538 56.100 0.003 0.000 1.042 103 R CB -0.034 30.292 30.300 0.042 0.000 1.004 103 R HN 0.416 nan 8.270 nan 0.000 0.509 104 R N 0.850 121.278 120.500 -0.119 0.000 2.393 104 R HA 0.362 4.702 4.340 0.000 0.000 0.310 104 R C -1.321 174.872 176.300 -0.177 0.000 0.968 104 R CA -0.518 55.555 56.100 -0.045 0.000 0.867 104 R CB 1.242 31.522 30.300 -0.033 0.000 1.124 104 R HN -0.036 nan 8.270 nan 0.000 0.450 105 Y N 0.610 120.916 120.300 0.010 0.000 2.328 105 Y HA 0.276 4.826 4.550 0.000 0.000 0.336 105 Y C 0.073 175.925 175.900 -0.081 0.000 0.960 105 Y CA -0.637 57.439 58.100 -0.041 0.000 1.134 105 Y CB 2.309 40.749 38.460 -0.032 0.000 1.166 105 Y HN 0.428 nan 8.280 nan 0.000 0.464 106 T N 5.434 120.003 114.554 0.026 0.000 2.756 106 T HA 0.453 4.803 4.350 0.000 0.000 0.290 106 T C -0.358 174.323 174.700 -0.032 0.000 0.985 106 T CA -0.504 61.594 62.100 -0.005 0.000 0.955 106 T CB 0.290 69.149 68.868 -0.015 0.000 0.930 106 T HN 0.227 nan 8.240 nan 0.000 0.451 107 I N 3.509 124.050 120.570 -0.047 0.000 2.304 107 I HA 0.588 4.758 4.170 0.000 0.000 0.291 107 I C 0.473 176.567 176.117 -0.039 0.000 1.018 107 I CA -1.122 60.139 61.300 -0.066 0.000 1.260 107 I CB 0.346 38.296 38.000 -0.082 0.000 1.390 107 I HN 0.652 nan 8.210 nan 0.000 0.475 108 A N 5.463 128.267 122.820 -0.026 0.000 2.355 108 A HA 0.963 5.283 4.320 0.000 0.000 0.324 108 A C -0.564 177.018 177.584 -0.002 0.000 1.117 108 A CA -0.556 51.470 52.037 -0.018 0.000 0.785 108 A CB 1.644 20.638 19.000 -0.011 0.000 1.254 108 A HN 0.802 nan 8.150 nan 0.000 0.453 109 A N 1.038 123.851 122.820 -0.012 0.000 2.398 109 A HA 0.656 4.976 4.320 0.000 0.000 0.301 109 A C -1.427 176.167 177.584 0.018 0.000 1.041 109 A CA -0.383 51.660 52.037 0.009 0.000 0.711 109 A CB 1.160 20.131 19.000 -0.048 0.000 1.240 109 A HN 1.588 nan 8.150 nan 0.000 0.420 110 L N 3.386 124.657 121.223 0.079 0.000 2.305 110 L HA 0.691 5.031 4.340 0.000 0.000 0.284 110 L C -1.258 175.714 176.870 0.171 0.000 1.013 110 L CA -0.261 54.635 54.840 0.094 0.000 0.819 110 L CB 0.956 43.070 42.059 0.091 0.000 1.227 110 L HN 0.618 nan 8.230 nan 0.000 0.417 111 L N 4.385 125.724 121.223 0.193 0.000 2.317 111 L HA 0.688 5.028 4.340 0.000 0.000 0.281 111 L C -0.022 177.183 176.870 0.559 0.000 1.024 111 L CA -0.367 54.697 54.840 0.374 0.000 0.810 111 L CB 1.709 43.952 42.059 0.306 0.000 1.240 111 L HN 0.623 nan 8.230 nan 0.000 0.427 112 S N 1.891 117.879 115.700 0.479 0.000 2.632 112 S HA 0.466 4.936 4.470 0.000 0.000 0.289 112 S C -2.042 172.477 174.600 -0.136 0.000 1.115 112 S CA -0.996 57.330 58.200 0.211 0.000 0.889 112 S CB 2.381 65.656 63.200 0.124 0.000 1.116 112 S HN 0.363 nan 8.310 nan 0.000 0.486 113 P HA -0.039 nan 4.420 nan 0.000 0.216 113 P C 0.074 177.158 177.300 -0.360 0.000 1.150 113 P CA 1.378 63.964 63.100 -0.857 0.000 0.837 113 P CB 0.062 31.384 31.700 -0.631 0.000 0.786 114 Y N -2.023 118.227 120.300 -0.083 0.000 2.612 114 Y HA 0.432 4.982 4.550 0.000 0.000 0.250 114 Y C 0.643 176.602 175.900 0.097 0.000 1.175 114 Y CA -0.102 57.983 58.100 -0.025 0.000 1.205 114 Y CB 0.684 39.049 38.460 -0.158 0.000 1.201 114 Y HN -0.168 nan 8.280 nan 0.000 0.532 115 S N 0.135 116.022 115.700 0.311 0.000 2.537 115 S HA 0.623 5.093 4.470 0.000 0.000 0.270 115 S C -1.661 173.105 174.600 0.276 0.000 1.142 115 S CA -0.517 57.835 58.200 0.252 0.000 0.870 115 S CB 0.747 64.017 63.200 0.116 0.000 1.112 115 S HN 0.198 nan 8.310 nan 0.000 0.466 116 Y N 0.143 120.491 120.300 0.079 0.000 2.588 116 Y HA 0.875 5.425 4.550 0.000 0.000 0.343 116 Y C -0.786 175.129 175.900 0.026 0.000 1.065 116 Y CA -0.963 57.163 58.100 0.043 0.000 1.038 116 Y CB 1.236 39.690 38.460 -0.011 0.000 1.297 116 Y HN 0.455 nan 8.280 nan 0.000 0.467 117 S N 1.108 116.943 115.700 0.225 0.000 2.526 117 S HA 0.712 5.183 4.470 0.000 0.000 0.293 117 S C -1.033 173.677 174.600 0.183 0.000 1.092 117 S CA -0.754 57.519 58.200 0.122 0.000 0.980 117 S CB 1.862 65.107 63.200 0.074 0.000 1.048 117 S HN 0.864 nan 8.310 nan 0.000 0.483 118 T N 0.999 115.639 114.554 0.143 0.000 2.909 118 T HA 0.743 5.093 4.350 0.000 0.000 0.299 118 T C -1.124 173.615 174.700 0.066 0.000 1.073 118 T CA -0.292 61.880 62.100 0.121 0.000 0.999 118 T CB 1.885 70.850 68.868 0.162 0.000 1.098 118 T HN 0.572 nan 8.240 nan 0.000 0.477 119 T N 1.562 116.138 114.554 0.036 0.000 2.894 119 T HA 0.763 5.113 4.350 0.000 0.000 0.309 119 T C -1.600 173.094 174.700 -0.009 0.000 1.208 119 T CA -0.294 61.816 62.100 0.016 0.000 1.016 119 T CB 1.316 70.193 68.868 0.015 0.000 1.192 119 T HN 0.982 nan 8.240 nan 0.000 0.491 120 A N 2.652 125.461 122.820 -0.018 0.000 2.343 120 A HA 0.780 5.100 4.320 0.000 0.000 0.316 120 A C -0.964 176.600 177.584 -0.033 0.000 1.104 120 A CA -0.553 51.459 52.037 -0.042 0.000 0.768 120 A CB 1.309 20.271 19.000 -0.064 0.000 1.213 120 A HN 0.738 nan 8.150 nan 0.000 0.456 121 V N 2.715 122.605 119.914 -0.041 0.000 2.384 121 V HA 0.470 4.590 4.120 0.000 0.000 0.287 121 V C -0.380 175.659 176.094 -0.092 0.000 1.020 121 V CA -0.543 61.726 62.300 -0.051 0.000 0.850 121 V CB 1.346 33.145 31.823 -0.041 0.000 0.987 121 V HN 0.608 nan 8.190 nan 0.000 0.436 122 V N 4.862 124.701 119.914 -0.126 0.000 2.378 122 V HA 0.724 4.844 4.120 0.000 0.000 0.288 122 V C 0.316 176.297 176.094 -0.187 0.000 1.016 122 V CA -0.133 62.018 62.300 -0.248 0.000 0.840 122 V CB 1.529 33.179 31.823 -0.290 0.000 0.994 122 V HN 1.091 nan 8.190 nan 0.000 0.431 123 T N 0.000 114.441 114.554 -0.188 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.030 62.100 -0.117 0.000 1.349 123 T CB 0.000 68.821 68.868 -0.078 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658