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 2pab_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEQFVEGIY 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 0.000 174.950 174.990 -0.067 0.000 1.270 10 C CA 0.000 59.001 59.018 -0.028 0.000 1.963 10 C CB 0.000 27.737 27.740 -0.005 0.000 2.134 11 P HA -0.155 nan 4.420 nan 0.000 0.220 11 P C 0.145 177.292 177.300 -0.255 0.000 1.146 11 P CA 1.447 64.443 63.100 -0.174 0.000 0.816 11 P CB 0.198 31.756 31.700 -0.237 0.000 0.764 12 L N -1.738 119.342 121.223 -0.240 0.000 2.482 12 L HA 0.556 4.905 4.340 0.014 0.000 0.269 12 L C -0.918 175.898 176.870 -0.091 0.000 0.967 12 L CA -0.896 53.826 54.840 -0.197 0.000 0.851 12 L CB 1.756 43.605 42.059 -0.350 0.000 1.242 12 L HN -0.215 nan 8.230 nan 0.000 0.404 13 M N 4.814 124.379 119.600 -0.058 0.000 2.690 13 M HA 0.840 5.329 4.480 0.014 0.000 0.302 13 M C -1.821 174.433 176.300 -0.077 0.000 1.234 13 M CA -0.702 54.573 55.300 -0.042 0.000 0.853 13 M CB 2.300 34.926 32.600 0.043 0.000 1.748 13 M HN 0.422 nan 8.290 nan 0.000 0.469 14 V N 2.524 122.366 119.914 -0.120 0.000 2.888 14 V HA 0.560 4.688 4.120 0.014 0.000 0.309 14 V C -1.180 174.831 176.094 -0.139 0.000 1.114 14 V CA -0.792 61.437 62.300 -0.118 0.000 0.940 14 V CB 2.437 34.189 31.823 -0.119 0.000 1.021 14 V HN 0.839 nan 8.190 nan 0.000 0.426 15 K N 2.496 122.833 120.400 -0.105 0.000 2.482 15 K HA 0.835 5.163 4.320 0.014 0.000 0.251 15 K C -1.848 174.691 176.600 -0.101 0.000 0.936 15 K CA -0.483 55.745 56.287 -0.099 0.000 0.791 15 K CB 2.349 34.812 32.500 -0.060 0.000 1.213 15 K HN 0.468 nan 8.250 nan 0.000 0.428 16 V N 5.226 125.063 119.914 -0.128 0.000 2.588 16 V HA 0.518 4.647 4.120 0.014 0.000 0.304 16 V C -0.603 175.397 176.094 -0.158 0.000 1.042 16 V CA -0.909 61.299 62.300 -0.153 0.000 0.877 16 V CB 1.564 33.251 31.823 -0.226 0.000 0.996 16 V HN 0.634 nan 8.190 nan 0.000 0.425 17 L N 2.650 123.803 121.223 -0.116 0.000 2.323 17 L HA 0.703 5.052 4.340 0.014 0.000 0.265 17 L C -0.763 176.065 176.870 -0.069 0.000 1.012 17 L CA -0.669 54.120 54.840 -0.085 0.000 0.820 17 L CB 2.132 44.178 42.059 -0.021 0.000 1.334 17 L HN 0.516 nan 8.230 nan 0.000 0.427 18 D N 0.576 120.962 120.400 -0.024 0.000 2.392 18 D HA 0.399 5.048 4.640 0.014 0.000 0.228 18 D C 0.347 176.756 176.300 0.181 0.000 1.074 18 D CA -0.328 53.733 54.000 0.102 0.000 0.838 18 D CB 2.242 43.099 40.800 0.096 0.000 1.067 18 D HN 0.618 nan 8.370 nan 0.000 0.511 19 A N 3.330 126.299 122.820 0.249 0.000 2.119 19 A HA 0.009 4.337 4.320 0.014 0.000 0.216 19 A C 1.958 179.661 177.584 0.197 0.000 1.152 19 A CA 0.524 52.673 52.037 0.188 0.000 0.708 19 A CB 0.090 19.191 19.000 0.168 0.000 0.805 19 A HN 0.486 nan 8.150 nan 0.000 0.460 20 V N -0.231 119.865 119.914 0.303 0.000 2.488 20 V HA -0.134 3.995 4.120 0.014 0.000 0.246 20 V C 2.370 178.583 176.094 0.199 0.000 1.046 20 V CA 1.934 64.386 62.300 0.253 0.000 1.053 20 V CB -0.608 31.425 31.823 0.351 0.000 0.679 20 V HN 0.546 nan 8.190 nan 0.000 0.458 21 R N -0.275 120.352 120.500 0.211 0.000 2.308 21 R HA 0.324 4.672 4.340 0.014 0.000 0.202 21 R C 1.434 177.795 176.300 0.101 0.000 0.898 21 R CA 0.651 56.837 56.100 0.144 0.000 1.046 21 R CB 0.520 30.907 30.300 0.144 0.000 1.026 21 R HN 0.510 nan 8.270 nan 0.000 0.512 22 G N 2.071 110.932 108.800 0.101 0.000 2.212 22 G HA2 -0.277 3.692 3.960 0.014 0.000 0.255 22 G HA3 -0.277 3.692 3.960 0.014 0.000 0.255 22 G C -0.112 174.819 174.900 0.052 0.000 1.062 22 G CA 0.442 45.584 45.100 0.069 0.000 0.815 22 G HN 0.443 nan 8.290 nan 0.000 0.497 23 S N -1.725 114.007 115.700 0.054 0.000 2.651 23 S HA 0.896 5.374 4.470 0.014 0.000 0.279 23 S C -3.153 171.449 174.600 0.004 0.000 1.148 23 S CA -1.611 56.608 58.200 0.032 0.000 0.837 23 S CB 2.904 66.131 63.200 0.045 0.000 1.138 23 S HN 0.099 nan 8.310 nan 0.000 0.478 24 P HA 0.384 nan 4.420 nan 0.000 0.271 24 P C -1.043 176.201 177.300 -0.094 0.000 1.218 24 P CA -0.236 62.831 63.100 -0.055 0.000 0.780 24 P CB 0.277 31.953 31.700 -0.041 0.000 0.901 25 A N 4.477 127.170 122.820 -0.212 0.000 2.506 25 A HA 0.421 4.749 4.320 0.014 0.000 0.320 25 A C 0.619 178.055 177.584 -0.248 0.000 1.424 25 A CA -0.649 51.131 52.037 -0.428 0.000 1.044 25 A CB -0.983 17.508 19.000 -0.848 0.000 1.140 25 A HN 0.489 nan 8.150 nan 0.000 0.538 26 I N -1.020 119.512 120.570 -0.062 0.000 2.532 26 I HA 0.374 4.553 4.170 0.014 0.000 0.292 26 I C 0.273 176.399 176.117 0.016 0.000 1.014 26 I CA -0.634 60.650 61.300 -0.027 0.000 1.340 26 I CB 0.535 38.535 38.000 0.000 0.000 1.422 26 I HN 0.780 nan 8.210 nan 0.000 0.528 27 N N 1.044 119.731 118.700 -0.021 0.000 2.776 27 N HA -0.122 4.626 4.740 0.014 0.000 0.249 27 N C -0.895 174.612 175.510 -0.005 0.000 1.111 27 N CA 0.279 53.323 53.050 -0.010 0.000 0.711 27 N CB -0.767 37.725 38.487 0.009 0.000 1.065 27 N HN 0.466 nan 8.380 nan 0.000 0.556 28 V N 0.648 120.528 119.914 -0.057 0.000 2.439 28 V HA 0.695 4.823 4.120 0.014 0.000 0.282 28 V C 0.727 176.768 176.094 -0.090 0.000 1.039 28 V CA -0.360 61.895 62.300 -0.074 0.000 0.913 28 V CB 1.508 33.221 31.823 -0.184 0.000 0.983 28 V HN 0.299 nan 8.190 nan 0.000 0.460 29 A N 5.105 127.889 122.820 -0.061 0.000 2.340 29 A HA 0.742 5.070 4.320 0.014 0.000 0.268 29 A C -0.588 176.918 177.584 -0.131 0.000 1.100 29 A CA -0.300 51.674 52.037 -0.105 0.000 0.803 29 A CB 0.814 19.798 19.000 -0.027 0.000 1.043 29 A HN 0.752 nan 8.150 nan 0.000 0.488 30 V N 3.341 123.095 119.914 -0.266 0.000 2.655 30 V HA 0.322 4.450 4.120 0.014 0.000 0.301 30 V C -1.160 174.723 176.094 -0.353 0.000 1.082 30 V CA -0.489 61.696 62.300 -0.192 0.000 0.899 30 V CB 1.646 33.379 31.823 -0.151 0.000 1.014 30 V HN 1.051 nan 8.190 nan 0.000 0.429 31 H N 2.079 121.094 119.070 -0.091 0.000 2.524 31 H HA 0.787 5.351 4.556 0.013 0.000 0.353 31 H C -0.666 174.472 175.328 -0.317 0.000 1.136 31 H CA -0.671 55.233 56.048 -0.240 0.000 1.193 31 H CB 2.233 31.863 29.762 -0.221 0.000 1.558 31 H HN 0.438 nan 8.280 nan 0.000 0.515 32 V N 4.045 123.772 119.914 -0.311 0.000 2.409 32 V HA 0.305 4.433 4.120 0.014 0.000 0.291 32 V C -0.740 175.151 176.094 -0.338 0.000 1.020 32 V CA -0.651 61.578 62.300 -0.117 0.000 0.848 32 V CB 0.394 32.323 31.823 0.177 0.000 0.990 32 V HN 0.544 nan 8.190 nan 0.000 0.430 33 F N 3.216 123.236 119.950 0.118 0.000 2.470 33 F HA 0.682 5.216 4.527 0.011 0.000 0.329 33 F C 0.457 176.322 175.800 0.110 0.000 1.072 33 F CA -0.709 57.359 58.000 0.115 0.000 0.989 33 F CB 1.600 40.557 39.000 -0.073 0.000 1.193 33 F HN 0.291 nan 8.300 nan 0.000 0.481 34 R N 2.350 123.031 120.500 0.301 0.000 2.409 34 R HA 0.297 4.645 4.340 0.014 0.000 0.313 34 R C -0.931 175.391 176.300 0.036 0.000 0.953 34 R CA -0.956 55.053 56.100 -0.152 0.000 0.849 34 R CB 1.241 31.241 30.300 -0.499 0.000 1.171 34 R HN 0.667 nan 8.270 nan 0.000 0.458 35 K N 3.478 123.817 120.400 -0.102 0.000 2.395 35 K HA 0.120 4.449 4.320 0.014 0.000 0.283 35 K C -0.207 176.203 176.600 -0.317 0.000 1.068 35 K CA 0.092 56.126 56.287 -0.423 0.000 1.039 35 K CB 0.641 32.802 32.500 -0.564 0.000 0.924 35 K HN 0.646 nan 8.250 nan 0.000 0.468 36 A N 4.096 126.769 122.820 -0.246 0.000 2.325 36 A HA 0.344 4.672 4.320 0.014 0.000 0.260 36 A C 1.462 178.947 177.584 -0.166 0.000 1.133 36 A CA 0.522 52.465 52.037 -0.157 0.000 0.801 36 A CB -0.302 18.640 19.000 -0.098 0.000 1.092 36 A HN 0.972 nan 8.150 nan 0.000 0.504 37 A N -0.539 122.213 122.820 -0.113 0.000 1.927 37 A HA -0.183 4.146 4.320 0.014 0.000 0.220 37 A C 1.019 178.536 177.584 -0.110 0.000 1.185 37 A CA 2.359 54.337 52.037 -0.099 0.000 0.639 37 A CB -0.850 18.106 19.000 -0.073 0.000 0.820 37 A HN 0.776 nan 8.150 nan 0.000 0.451 38 D N -1.751 118.580 120.400 -0.116 0.000 2.706 38 D HA 0.398 5.046 4.640 0.014 0.000 0.236 38 D C 0.058 176.270 176.300 -0.147 0.000 1.231 38 D CA 0.438 54.368 54.000 -0.116 0.000 0.828 38 D CB 0.264 41.014 40.800 -0.083 0.000 1.015 38 D HN 0.501 nan 8.370 nan 0.000 0.484 39 D N -1.898 118.383 120.400 -0.197 0.000 2.384 39 D HA -0.149 4.499 4.640 0.014 0.000 0.170 39 D C -0.057 176.051 176.300 -0.320 0.000 1.010 39 D CA 1.164 55.033 54.000 -0.220 0.000 1.035 39 D CB -0.495 40.212 40.800 -0.154 0.000 1.093 39 D HN 0.225 nan 8.370 nan 0.000 0.476 40 T N -1.087 113.267 114.554 -0.334 0.000 2.952 40 T HA 0.535 4.893 4.350 0.014 0.000 0.286 40 T C -0.925 173.498 174.700 -0.463 0.000 1.024 40 T CA -0.367 61.507 62.100 -0.377 0.000 1.029 40 T CB 0.769 69.531 68.868 -0.176 0.000 1.094 40 T HN 0.108 nan 8.240 nan 0.000 0.515 41 W N 2.362 123.619 121.300 -0.072 0.000 2.357 41 W HA 0.391 5.061 4.660 0.017 0.000 0.317 41 W C 0.600 177.150 176.519 0.051 0.000 1.101 41 W CA -0.620 56.692 57.345 -0.055 0.000 1.380 41 W CB 0.102 29.457 29.460 -0.173 0.000 1.266 41 W HN 0.515 nan 8.180 nan 0.000 0.419 42 E N 4.563 124.977 120.200 0.358 0.000 2.266 42 E HA 0.203 4.562 4.350 0.014 0.000 0.277 42 E C -2.076 174.819 176.600 0.492 0.000 1.018 42 E CA -2.063 54.539 56.400 0.338 0.000 0.840 42 E CB 0.992 30.810 29.700 0.195 0.000 1.082 42 E HN -0.024 nan 8.360 nan 0.000 0.395 43 P HA -0.031 nan 4.420 nan 0.000 0.271 43 P C -0.753 176.635 177.300 0.147 0.000 1.233 43 P CA 0.369 63.590 63.100 0.202 0.000 0.764 43 P CB 0.270 32.073 31.700 0.172 0.000 0.825 44 F N 3.574 123.455 119.950 -0.114 0.000 2.514 44 F HA 0.569 5.104 4.527 0.014 0.000 0.281 44 F C 0.205 175.996 175.800 -0.015 0.000 1.060 44 F CA 0.466 58.468 58.000 0.004 0.000 1.397 44 F CB 0.492 39.559 39.000 0.112 0.000 1.129 44 F HN 0.395 nan 8.300 nan 0.000 0.620 45 A N -0.495 122.296 122.820 -0.049 0.000 2.608 45 A HA 0.668 4.996 4.320 0.014 0.000 0.292 45 A C -1.114 176.391 177.584 -0.133 0.000 1.066 45 A CA -0.334 51.621 52.037 -0.137 0.000 0.676 45 A CB 0.994 19.943 19.000 -0.086 0.000 1.277 45 A HN 0.044 nan 8.150 nan 0.000 0.413 46 S N -1.471 114.136 115.700 -0.154 0.000 2.579 46 S HA 0.943 5.421 4.470 0.014 0.000 0.272 46 S C -0.233 174.245 174.600 -0.203 0.000 1.141 46 S CA 0.144 58.203 58.200 -0.236 0.000 0.843 46 S CB 2.100 65.151 63.200 -0.249 0.000 1.122 46 S HN 2.315 nan 8.310 nan 0.000 0.468 47 G N 1.239 109.885 108.800 -0.255 0.000 2.451 47 G HA2 0.531 4.499 3.960 0.014 0.000 0.292 47 G HA3 0.531 4.499 3.960 0.014 0.000 0.292 47 G C -2.309 172.475 174.900 -0.192 0.000 1.427 47 G CA -0.620 44.370 45.100 -0.182 0.000 0.792 47 G HN 0.564 nan 8.290 nan 0.000 0.498 48 K N 0.620 120.935 120.400 -0.141 0.000 2.345 48 K HA 0.593 4.921 4.320 0.014 0.000 0.255 48 K C 0.361 176.890 176.600 -0.119 0.000 0.934 48 K CA -0.576 55.639 56.287 -0.121 0.000 0.801 48 K CB 1.801 34.250 32.500 -0.086 0.000 1.137 48 K HN 0.818 nan 8.250 nan 0.000 0.424 49 T N -0.356 114.123 114.554 -0.126 0.000 2.932 49 T HA 0.055 4.414 4.350 0.014 0.000 0.312 49 T C 0.781 175.422 174.700 -0.098 0.000 1.071 49 T CA -0.579 61.440 62.100 -0.136 0.000 1.128 49 T CB 0.968 69.745 68.868 -0.152 0.000 0.984 49 T HN 0.544 nan 8.240 nan 0.000 0.549 50 S N 1.211 116.853 115.700 -0.097 0.000 2.646 50 S HA 0.297 4.776 4.470 0.014 0.000 0.273 50 S C 1.146 175.724 174.600 -0.037 0.000 1.168 50 S CA -0.527 57.641 58.200 -0.053 0.000 1.013 50 S CB 0.559 63.741 63.200 -0.029 0.000 1.098 50 S HN 0.753 nan 8.310 nan 0.000 0.544 51 E N 0.540 120.730 120.200 -0.016 0.000 2.160 51 E HA -0.028 4.331 4.350 0.014 0.000 0.195 51 E C 1.913 178.508 176.600 -0.009 0.000 0.991 51 E CA 1.304 57.698 56.400 -0.009 0.000 0.810 51 E CB -0.417 29.282 29.700 -0.001 0.000 0.742 51 E HN 0.547 nan 8.360 nan 0.000 0.466 52 S N -1.598 114.101 115.700 -0.003 0.000 2.607 52 S HA 0.114 4.593 4.470 0.014 0.000 0.224 52 S C 1.109 175.694 174.600 -0.026 0.000 0.969 52 S CA 0.688 58.889 58.200 0.001 0.000 0.927 52 S CB -0.063 63.160 63.200 0.038 0.000 0.772 52 S HN 0.505 nan 8.310 nan 0.000 0.533 53 G N 1.148 109.915 108.800 -0.055 0.000 2.147 53 G HA2 -0.227 3.742 3.960 0.014 0.000 0.244 53 G HA3 -0.227 3.742 3.960 0.014 0.000 0.244 53 G C -0.193 174.633 174.900 -0.123 0.000 1.005 53 G CA 0.290 45.331 45.100 -0.098 0.000 0.713 53 G HN 0.529 nan 8.290 nan 0.000 0.515 54 E N -1.161 118.961 120.200 -0.131 0.000 2.235 54 E HA 0.785 5.144 4.350 0.014 0.000 0.265 54 E C -0.358 175.979 176.600 -0.438 0.000 0.940 54 E CA -0.870 55.381 56.400 -0.249 0.000 0.819 54 E CB 1.778 31.401 29.700 -0.129 0.000 1.206 54 E HN 0.166 nan 8.360 nan 0.000 0.409 55 L N 2.892 123.767 121.223 -0.581 0.000 2.415 55 L HA 0.350 4.699 4.340 0.014 0.000 0.268 55 L C -0.576 175.959 176.870 -0.558 0.000 0.984 55 L CA -0.145 54.403 54.840 -0.486 0.000 0.853 55 L CB 0.515 42.418 42.059 -0.261 0.000 1.215 55 L HN 0.769 nan 8.230 nan 0.000 0.419 56 H N 2.000 121.036 119.070 -0.056 0.000 2.460 56 H HA 0.139 4.703 4.556 0.014 0.000 0.297 56 H C 1.883 177.180 175.328 -0.053 0.000 1.023 56 H CA 0.601 56.617 56.048 -0.054 0.000 1.321 56 H CB 0.307 30.040 29.762 -0.048 0.000 1.455 56 H HN 0.696 nan 8.280 nan 0.000 0.539 57 G N 1.500 110.320 108.800 0.034 0.000 2.653 57 G HA2 -0.152 3.816 3.960 0.014 0.000 0.212 57 G HA3 -0.152 3.816 3.960 0.014 0.000 0.212 57 G C 1.217 176.104 174.900 -0.022 0.000 1.138 57 G CA 0.436 45.541 45.100 0.007 0.000 0.782 57 G HN 0.202 nan 8.290 nan 0.000 0.535 58 L N -0.365 120.840 121.223 -0.030 0.000 2.059 58 L HA -0.165 4.184 4.340 0.014 0.000 0.242 58 L C 1.792 178.643 176.870 -0.032 0.000 1.107 58 L CA 1.979 56.800 54.840 -0.031 0.000 0.836 58 L CB -1.177 40.875 42.059 -0.013 0.000 0.933 58 L HN 0.370 nan 8.230 nan 0.000 0.446 59 T N -3.418 111.140 114.554 0.007 0.000 2.716 59 T HA 0.446 4.804 4.350 0.014 0.000 0.286 59 T C -0.574 174.160 174.700 0.057 0.000 1.052 59 T CA -0.452 61.682 62.100 0.056 0.000 1.024 59 T CB 2.082 71.128 68.868 0.297 0.000 1.349 59 T HN 0.190 nan 8.240 nan 0.000 0.525 60 T N 0.483 115.116 114.554 0.131 0.000 2.926 60 T HA 0.397 4.755 4.350 0.014 0.000 0.289 60 T C 1.092 175.905 174.700 0.190 0.000 1.054 60 T CA -0.513 61.654 62.100 0.112 0.000 1.015 60 T CB 1.685 70.608 68.868 0.091 0.000 1.167 60 T HN 0.728 nan 8.240 nan 0.000 0.526 61 E N 0.566 120.847 120.200 0.136 0.000 2.149 61 E HA -0.221 4.138 4.350 0.014 0.000 0.215 61 E C -0.019 176.713 176.600 0.220 0.000 1.055 61 E CA 1.812 58.304 56.400 0.153 0.000 0.870 61 E CB 0.124 29.883 29.700 0.098 0.000 0.764 61 E HN 0.362 nan 8.360 nan 0.000 0.463 62 E N -1.361 118.954 120.200 0.193 0.000 4.090 62 E HA 0.105 4.464 4.350 0.014 0.000 0.235 62 E C -0.098 176.609 176.600 0.179 0.000 1.187 62 E CA -0.020 56.492 56.400 0.187 0.000 1.308 62 E CB 0.706 30.485 29.700 0.132 0.000 1.222 62 E HN 0.128 nan 8.360 nan 0.000 0.414 63 Q N 0.037 119.991 119.800 0.256 0.000 2.423 63 Q HA 0.252 4.601 4.340 0.014 0.000 0.231 63 Q C -0.155 176.117 176.000 0.453 0.000 0.894 63 Q CA -0.079 55.895 55.803 0.284 0.000 0.938 63 Q CB 0.488 29.370 28.738 0.240 0.000 1.079 63 Q HN 0.330 nan 8.270 nan 0.000 0.552 64 F N 2.636 122.762 119.950 0.294 0.000 2.444 64 F HA 0.310 4.845 4.527 0.013 0.000 0.360 64 F C -0.235 175.668 175.800 0.172 0.000 1.106 64 F CA -0.653 57.495 58.000 0.247 0.000 1.170 64 F CB 0.611 39.705 39.000 0.156 0.000 1.113 64 F HN -0.095 nan 8.300 nan 0.000 0.521 65 V N 2.394 122.160 119.914 -0.247 0.000 3.084 65 V HA 0.547 4.676 4.120 0.014 0.000 0.311 65 V C -0.754 175.163 176.094 -0.294 0.000 1.311 65 V CA -1.148 61.063 62.300 -0.148 0.000 1.062 65 V CB 1.419 33.220 31.823 -0.036 0.000 1.113 65 V HN 0.693 nan 8.190 nan 0.000 0.468 66 E N 0.503 120.614 120.200 -0.149 0.000 2.319 66 E HA 0.750 5.109 4.350 0.014 0.000 0.268 66 E C -0.075 176.448 176.600 -0.129 0.000 1.050 66 E CA 0.009 56.328 56.400 -0.136 0.000 0.878 66 E CB 1.548 31.215 29.700 -0.055 0.000 1.066 66 E HN 1.608 nan 8.360 nan 0.000 0.406 67 G N 1.351 110.082 108.800 -0.114 0.000 2.315 67 G HA2 0.212 4.180 3.960 0.014 0.000 0.294 67 G HA3 0.212 4.180 3.960 0.014 0.000 0.294 67 G C -1.298 173.467 174.900 -0.225 0.000 1.300 67 G CA -0.960 44.001 45.100 -0.231 0.000 0.843 67 G HN 0.479 nan 8.290 nan 0.000 0.527 68 I N 0.834 121.225 120.570 -0.297 0.000 2.365 68 I HA 0.441 4.620 4.170 0.014 0.000 0.291 68 I C -0.636 175.297 176.117 -0.307 0.000 1.004 68 I CA -0.301 60.883 61.300 -0.193 0.000 1.311 68 I CB 0.939 38.882 38.000 -0.096 0.000 1.401 68 I HN 0.398 nan 8.210 nan 0.000 0.491 69 Y N 4.631 124.700 120.300 -0.385 0.000 2.598 69 Y HA 0.523 5.081 4.550 0.013 0.000 0.340 69 Y C 0.047 175.750 175.900 -0.328 0.000 1.038 69 Y CA -0.935 56.914 58.100 -0.419 0.000 1.100 69 Y CB 1.865 39.809 38.460 -0.860 0.000 1.281 69 Y HN 0.393 nan 8.280 nan 0.000 0.488 70 K N 0.794 121.144 120.400 -0.083 0.000 2.513 70 K HA 0.712 5.040 4.320 0.014 0.000 0.251 70 K C -2.310 174.317 176.600 0.046 0.000 0.939 70 K CA -0.556 55.621 56.287 -0.183 0.000 0.793 70 K CB 1.545 33.544 32.500 -0.836 0.000 1.241 70 K HN 0.462 nan 8.250 nan 0.000 0.431 71 V N 3.597 123.580 119.914 0.115 0.000 2.334 71 V HA 0.282 4.411 4.120 0.014 0.000 0.281 71 V C -0.529 175.585 176.094 0.034 0.000 1.016 71 V CA -0.713 61.656 62.300 0.115 0.000 0.832 71 V CB 1.164 33.084 31.823 0.161 0.000 0.999 71 V HN 0.809 nan 8.190 nan 0.000 0.439 72 E N 4.964 125.191 120.200 0.046 0.000 2.115 72 E HA 0.530 4.889 4.350 0.014 0.000 0.282 72 E C -1.026 175.580 176.600 0.010 0.000 0.987 72 E CA -0.455 55.927 56.400 -0.029 0.000 0.797 72 E CB 0.933 30.662 29.700 0.048 0.000 1.086 72 E HN 0.665 nan 8.360 nan 0.000 0.397 73 I N 4.033 124.582 120.570 -0.036 0.000 2.330 73 I HA 0.112 4.290 4.170 0.014 0.000 0.289 73 I C -0.165 175.969 176.117 0.029 0.000 1.001 73 I CA -0.697 60.585 61.300 -0.029 0.000 1.193 73 I CB 1.391 39.331 38.000 -0.100 0.000 1.345 73 I HN 0.510 nan 8.210 nan 0.000 0.461 74 D N 4.627 125.061 120.400 0.057 0.000 2.545 74 D HA -0.019 4.630 4.640 0.014 0.000 0.227 74 D C 1.506 177.857 176.300 0.085 0.000 1.150 74 D CA -0.003 54.057 54.000 0.101 0.000 1.046 74 D CB 0.511 41.385 40.800 0.123 0.000 1.098 74 D HN 0.674 nan 8.370 nan 0.000 0.502 75 T N -0.112 114.502 114.554 0.101 0.000 2.904 75 T HA -0.159 4.199 4.350 0.014 0.000 0.267 75 T C 1.829 176.691 174.700 0.269 0.000 1.059 75 T CA 0.771 62.960 62.100 0.147 0.000 1.137 75 T CB -0.104 68.878 68.868 0.189 0.000 0.879 75 T HN 0.270 nan 8.240 nan 0.000 0.467 76 K N 1.096 121.631 120.400 0.225 0.000 2.044 76 K HA -0.109 4.219 4.320 0.014 0.000 0.210 76 K C 2.593 179.293 176.600 0.167 0.000 1.049 76 K CA 1.726 58.136 56.287 0.205 0.000 0.927 76 K CB -0.358 32.212 32.500 0.117 0.000 0.713 76 K HN 0.340 nan 8.250 nan 0.000 0.443 77 S N -0.269 115.501 115.700 0.116 0.000 2.368 77 S HA -0.153 4.325 4.470 0.014 0.000 0.224 77 S C 1.526 176.138 174.600 0.021 0.000 1.029 77 S CA 1.130 59.371 58.200 0.068 0.000 0.988 77 S CB -0.474 62.762 63.200 0.060 0.000 0.838 77 S HN 0.404 nan 8.310 nan 0.000 0.462 78 Y N 1.298 121.532 120.300 -0.111 0.000 2.014 78 Y HA -0.301 4.258 4.550 0.017 0.000 0.272 78 Y C 1.919 177.636 175.900 -0.306 0.000 1.164 78 Y CA 1.781 59.705 58.100 -0.295 0.000 1.114 78 Y CB -0.699 37.483 38.460 -0.463 0.000 0.961 78 Y HN 0.293 nan 8.280 nan 0.000 0.489 79 W N 0.629 121.919 121.300 -0.015 0.000 2.354 79 W HA -0.152 4.508 4.660 0.001 0.000 0.315 79 W C 2.509 178.968 176.519 -0.099 0.000 1.206 79 W CA 1.608 58.911 57.345 -0.071 0.000 1.290 79 W CB -0.513 28.984 29.460 0.062 0.000 1.152 79 W HN -0.107 nan 8.180 nan 0.000 0.489 80 K N 0.240 120.727 120.400 0.144 0.000 2.152 80 K HA -0.170 4.159 4.320 0.014 0.000 0.206 80 K C 2.236 178.836 176.600 0.000 0.000 1.048 80 K CA 1.378 57.709 56.287 0.073 0.000 0.933 80 K CB -0.599 31.938 32.500 0.062 0.000 0.721 80 K HN 0.161 nan 8.250 nan 0.000 0.447 81 A N 1.624 124.400 122.820 -0.074 0.000 1.948 81 A HA -0.196 4.132 4.320 0.014 0.000 0.220 81 A C 2.044 179.560 177.584 -0.113 0.000 1.177 81 A CA 1.229 53.197 52.037 -0.116 0.000 0.636 81 A CB -0.473 18.411 19.000 -0.192 0.000 0.815 81 A HN 0.165 nan 8.150 nan 0.000 0.449 82 L N -1.742 119.397 121.223 -0.139 0.000 1.988 82 L HA 0.056 4.404 4.340 0.014 0.000 0.207 82 L C 1.750 178.627 176.870 0.011 0.000 1.071 82 L CA 2.659 57.458 54.840 -0.069 0.000 0.744 82 L CB -1.204 40.836 42.059 -0.031 0.000 0.893 82 L HN 0.745 nan 8.230 nan 0.000 0.433 83 G N -0.768 108.062 108.800 0.051 0.000 2.207 83 G HA2 -0.074 3.895 3.960 0.014 0.000 0.193 83 G HA3 -0.074 3.895 3.960 0.014 0.000 0.193 83 G C 0.039 174.991 174.900 0.086 0.000 1.050 83 G CA -0.237 44.896 45.100 0.054 0.000 0.780 83 G HN 0.204 nan 8.290 nan 0.000 0.504 84 I N 0.625 121.278 120.570 0.139 0.000 2.428 84 I HA 0.523 4.701 4.170 0.014 0.000 0.296 84 I C 0.291 176.486 176.117 0.129 0.000 0.985 84 I CA -0.707 60.685 61.300 0.153 0.000 1.260 84 I CB 1.788 39.941 38.000 0.255 0.000 1.389 84 I HN 0.007 nan 8.210 nan 0.000 0.484 85 S N 6.837 122.590 115.700 0.090 0.000 2.416 85 S HA 0.364 4.842 4.470 0.014 0.000 0.287 85 S C -2.017 172.597 174.600 0.023 0.000 1.139 85 S CA -0.943 57.306 58.200 0.081 0.000 1.058 85 S CB 0.399 63.667 63.200 0.113 0.000 0.967 85 S HN 0.481 nan 8.310 nan 0.000 0.495 86 P HA 0.385 nan 4.420 nan 0.000 0.286 86 P C 0.151 177.251 177.300 -0.334 0.000 1.292 86 P CA -0.673 62.320 63.100 -0.178 0.000 0.842 86 P CB 0.954 32.685 31.700 0.053 0.000 1.207 87 F N -0.369 119.167 119.950 -0.689 0.000 2.514 87 F HA 0.193 4.729 4.527 0.015 0.000 0.281 87 F C 0.762 176.222 175.800 -0.567 0.000 1.060 87 F CA 0.363 57.878 58.000 -0.808 0.000 1.397 87 F CB -0.152 38.078 39.000 -1.284 0.000 1.129 87 F HN 0.243 nan 8.300 nan 0.000 0.620 88 H N 0.804 119.789 119.070 -0.140 0.000 2.562 88 H HA 0.183 4.751 4.556 0.020 0.000 0.352 88 H C 1.041 176.265 175.328 -0.173 0.000 1.125 88 H CA -0.132 55.822 56.048 -0.156 0.000 1.379 88 H CB 0.655 30.495 29.762 0.129 0.000 1.464 88 H HN 0.068 nan 8.280 nan 0.000 0.563 89 E N 1.323 121.422 120.200 -0.168 0.000 2.152 89 E HA -0.062 4.297 4.350 0.014 0.000 0.192 89 E C 0.342 176.916 176.600 -0.044 0.000 0.983 89 E CA 1.054 57.356 56.400 -0.164 0.000 0.818 89 E CB 0.166 29.703 29.700 -0.272 0.000 0.758 89 E HN 0.806 nan 8.360 nan 0.000 0.467 90 H N -3.426 115.687 119.070 0.073 0.000 2.917 90 H HA 0.614 5.176 4.556 0.011 0.000 0.299 90 H C -1.482 173.816 175.328 -0.050 0.000 1.418 90 H CA -0.870 55.191 56.048 0.023 0.000 1.138 90 H CB 0.935 30.702 29.762 0.009 0.000 1.830 90 H HN -0.073 nan 8.280 nan 0.000 0.514 91 A N 1.353 124.211 122.820 0.064 0.000 2.288 91 A HA 0.377 4.705 4.320 0.014 0.000 0.320 91 A C -0.264 177.312 177.584 -0.014 0.000 1.217 91 A CA -0.566 51.274 52.037 -0.328 0.000 0.840 91 A CB 1.276 19.727 19.000 -0.916 0.000 1.179 91 A HN 0.583 nan 8.150 nan 0.000 0.504 92 E N 2.200 122.478 120.200 0.130 0.000 2.238 92 E HA 0.591 4.949 4.350 0.014 0.000 0.267 92 E C -1.844 174.827 176.600 0.119 0.000 0.887 92 E CA -0.452 56.000 56.400 0.086 0.000 0.769 92 E CB 2.027 31.785 29.700 0.097 0.000 1.187 92 E HN 0.350 nan 8.360 nan 0.000 0.416 93 V N 4.236 124.207 119.914 0.095 0.000 2.447 93 V HA 0.286 4.415 4.120 0.014 0.000 0.292 93 V C -0.563 175.671 176.094 0.234 0.000 1.021 93 V CA -0.781 61.619 62.300 0.167 0.000 0.850 93 V CB 1.787 33.696 31.823 0.144 0.000 1.005 93 V HN 0.453 nan 8.190 nan 0.000 0.426 94 V N 6.600 126.653 119.914 0.231 0.000 2.384 94 V HA 0.667 4.795 4.120 0.014 0.000 0.287 94 V C -0.469 175.818 176.094 0.322 0.000 1.020 94 V CA -0.521 61.911 62.300 0.220 0.000 0.850 94 V CB 1.134 33.061 31.823 0.175 0.000 0.987 94 V HN 0.761 nan 8.190 nan 0.000 0.436 95 F N 1.292 121.306 119.950 0.107 0.000 2.603 95 F HA 0.818 5.356 4.527 0.019 0.000 0.317 95 F C -0.229 175.631 175.800 0.098 0.000 1.066 95 F CA -1.271 56.776 58.000 0.079 0.000 0.941 95 F CB 1.525 40.535 39.000 0.017 0.000 1.291 95 F HN 0.208 nan 8.300 nan 0.000 0.472 96 T N 1.857 116.512 114.554 0.169 0.000 2.767 96 T HA 0.687 5.046 4.350 0.014 0.000 0.288 96 T C -0.402 174.367 174.700 0.115 0.000 0.963 96 T CA -0.262 61.879 62.100 0.069 0.000 1.019 96 T CB 0.710 69.632 68.868 0.090 0.000 0.923 96 T HN 0.909 nan 8.240 nan 0.000 0.468 97 A N 5.143 127.972 122.820 0.015 0.000 2.249 97 A HA 0.734 5.062 4.320 0.014 0.000 0.314 97 A C 0.102 177.745 177.584 0.098 0.000 1.290 97 A CA -0.682 51.364 52.037 0.015 0.000 0.893 97 A CB -0.236 18.619 19.000 -0.242 0.000 1.165 97 A HN 1.102 nan 8.150 nan 0.000 0.530 98 N N 2.211 121.053 118.700 0.237 0.000 8.428 98 N HA -0.089 4.660 4.740 0.014 0.000 0.063 98 N C -1.530 174.057 175.510 0.129 0.000 0.935 98 N CA -0.309 52.830 53.050 0.148 0.000 1.491 98 N CB -0.185 38.337 38.487 0.059 0.000 1.027 98 N HN 0.424 nan 8.380 nan 0.000 1.447 99 D N 0.740 121.213 120.400 0.122 0.000 3.136 99 D HA 0.187 4.836 4.640 0.014 0.000 0.254 99 D C -0.446 175.892 176.300 0.064 0.000 1.563 99 D CA 0.579 54.634 54.000 0.091 0.000 1.225 99 D CB 0.863 41.719 40.800 0.093 0.000 1.079 99 D HN 0.338 nan 8.370 nan 0.000 0.314 100 S N -0.104 115.634 115.700 0.064 0.000 2.828 100 S HA 0.494 4.973 4.470 0.014 0.000 0.149 100 S C -0.776 173.856 174.600 0.055 0.000 0.924 100 S CA 0.002 58.231 58.200 0.050 0.000 1.044 100 S CB 0.122 63.344 63.200 0.037 0.000 1.595 100 S HN 0.516 nan 8.310 nan 0.000 0.454 101 G N 3.053 111.896 108.800 0.072 0.000 2.361 101 G HA2 0.483 4.452 3.960 0.014 0.000 0.299 101 G HA3 0.483 4.452 3.960 0.014 0.000 0.299 101 G C -3.615 171.348 174.900 0.106 0.000 1.544 101 G CA -0.651 44.491 45.100 0.070 0.000 0.860 101 G HN 0.313 nan 8.290 nan 0.000 0.610 102 P HA 0.712 nan 4.420 nan 0.000 0.297 102 P C 0.379 177.714 177.300 0.059 0.000 1.331 102 P CA -0.256 62.916 63.100 0.120 0.000 0.803 102 P CB 1.305 33.066 31.700 0.101 0.000 0.929 103 R N 2.499 123.034 120.500 0.057 0.000 2.948 103 R HA 0.818 5.166 4.340 0.014 0.000 0.216 103 R C -0.154 176.048 176.300 -0.164 0.000 1.557 103 R CA -0.407 55.591 56.100 -0.169 0.000 0.970 103 R CB 0.348 nan 30.300 nan 0.000 2.255 103 R HN 0.515 nan 8.270 nan 0.000 0.527 104 R N -0.774 119.510 120.500 -0.361 0.000 2.542 104 R HA 0.376 4.725 4.340 0.014 0.000 0.284 104 R C -2.082 173.991 176.300 -0.378 0.000 1.167 104 R CA -0.415 55.541 56.100 -0.239 0.000 1.000 104 R CB 1.679 31.891 30.300 -0.147 0.000 1.229 104 R HN 0.669 nan 8.270 nan 0.000 0.416 105 Y N 0.943 121.167 120.300 -0.126 0.000 2.341 105 Y HA 0.388 4.944 4.550 0.010 0.000 0.338 105 Y C 0.115 175.912 175.900 -0.171 0.000 0.965 105 Y CA -0.486 57.519 58.100 -0.159 0.000 1.108 105 Y CB 2.668 41.013 38.460 -0.192 0.000 1.180 105 Y HN 0.313 nan 8.280 nan 0.000 0.458 106 T N 5.476 120.016 114.554 -0.023 0.000 2.833 106 T HA 0.524 4.882 4.350 0.014 0.000 0.297 106 T C -0.529 174.124 174.700 -0.078 0.000 1.015 106 T CA -0.460 61.610 62.100 -0.050 0.000 0.963 106 T CB 0.240 69.083 68.868 -0.042 0.000 0.955 106 T HN 0.318 nan 8.240 nan 0.000 0.449 107 I N 3.153 123.660 120.570 -0.104 0.000 2.336 107 I HA 0.633 4.811 4.170 0.014 0.000 0.292 107 I C 0.397 176.469 176.117 -0.075 0.000 0.991 107 I CA -0.388 60.841 61.300 -0.118 0.000 1.227 107 I CB 1.273 39.175 38.000 -0.164 0.000 1.366 107 I HN 0.666 nan 8.210 nan 0.000 0.466 108 A N 5.234 128.023 122.820 -0.052 0.000 2.340 108 A HA 0.966 5.294 4.320 0.014 0.000 0.331 108 A C -0.699 176.875 177.584 -0.016 0.000 1.140 108 A CA -0.555 51.459 52.037 -0.037 0.000 0.801 108 A CB 1.377 20.363 19.000 -0.023 0.000 1.234 108 A HN 0.783 nan 8.150 nan 0.000 0.469 109 A N 1.186 123.992 122.820 -0.024 0.000 2.427 109 A HA 0.642 4.971 4.320 0.014 0.000 0.298 109 A C -1.390 176.201 177.584 0.012 0.000 1.036 109 A CA -0.343 51.696 52.037 0.004 0.000 0.701 109 A CB 1.112 20.076 19.000 -0.060 0.000 1.250 109 A HN 1.502 nan 8.150 nan 0.000 0.412 110 L N 3.554 124.825 121.223 0.080 0.000 2.294 110 L HA 0.646 4.995 4.340 0.014 0.000 0.283 110 L C -1.210 175.764 176.870 0.174 0.000 1.015 110 L CA -0.273 54.624 54.840 0.094 0.000 0.831 110 L CB 0.810 42.920 42.059 0.086 0.000 1.217 110 L HN 0.629 nan 8.230 nan 0.000 0.420 111 L N 4.254 125.592 121.223 0.192 0.000 2.289 111 L HA 0.636 4.984 4.340 0.014 0.000 0.285 111 L C 0.075 177.275 176.870 0.550 0.000 1.049 111 L CA -0.280 54.789 54.840 0.381 0.000 0.804 111 L CB 1.417 43.706 42.059 0.383 0.000 1.195 111 L HN 0.582 nan 8.230 nan 0.000 0.428 112 S N 2.181 118.132 115.700 0.419 0.000 2.634 112 S HA 0.468 4.947 4.470 0.014 0.000 0.296 112 S C -1.999 172.484 174.600 -0.195 0.000 1.104 112 S CA -0.979 57.298 58.200 0.129 0.000 0.920 112 S CB 2.411 65.672 63.200 0.101 0.000 1.111 112 S HN 0.358 nan 8.310 nan 0.000 0.493 113 P HA -0.013 nan 4.420 nan 0.000 0.216 113 P C 0.121 177.289 177.300 -0.219 0.000 1.153 113 P CA 1.352 64.037 63.100 -0.690 0.000 0.848 113 P CB 0.075 31.489 31.700 -0.478 0.000 0.787 114 Y N -2.012 118.242 120.300 -0.076 0.000 2.584 114 Y HA 0.415 4.968 4.550 0.005 0.000 0.254 114 Y C 0.635 176.625 175.900 0.149 0.000 1.177 114 Y CA -0.189 57.911 58.100 0.001 0.000 1.216 114 Y CB 0.825 39.192 38.460 -0.154 0.000 1.172 114 Y HN -0.157 nan 8.280 nan 0.000 0.529 115 S N 0.182 116.067 115.700 0.309 0.000 2.537 115 S HA 0.600 5.078 4.470 0.014 0.000 0.271 115 S C -1.860 172.876 174.600 0.228 0.000 1.148 115 S CA -0.502 57.828 58.200 0.217 0.000 0.868 115 S CB 0.976 64.238 63.200 0.103 0.000 1.115 115 S HN 0.208 nan 8.310 nan 0.000 0.461 116 Y N 0.691 120.995 120.300 0.007 0.000 2.581 116 Y HA 0.799 5.359 4.550 0.017 0.000 0.337 116 Y C -0.927 174.967 175.900 -0.010 0.000 1.108 116 Y CA -0.747 57.350 58.100 -0.005 0.000 1.033 116 Y CB 0.994 39.423 38.460 -0.052 0.000 1.318 116 Y HN 0.703 nan 8.280 nan 0.000 0.459 117 S N 1.646 117.488 115.700 0.236 0.000 2.536 117 S HA 0.806 5.284 4.470 0.014 0.000 0.298 117 S C -1.037 173.706 174.600 0.238 0.000 1.083 117 S CA -0.446 57.829 58.200 0.125 0.000 0.995 117 S CB 1.944 65.181 63.200 0.063 0.000 1.058 117 S HN 1.116 nan 8.310 nan 0.000 0.488 118 T N 1.427 116.083 114.554 0.170 0.000 2.893 118 T HA 0.737 5.096 4.350 0.014 0.000 0.293 118 T C -1.080 173.658 174.700 0.063 0.000 1.027 118 T CA -0.195 61.986 62.100 0.135 0.000 0.988 118 T CB 1.586 70.558 68.868 0.173 0.000 1.043 118 T HN 0.816 nan 8.240 nan 0.000 0.461 119 T N 2.573 117.145 114.554 0.029 0.000 2.903 119 T HA 0.808 5.166 4.350 0.014 0.000 0.299 119 T C -1.111 173.576 174.700 -0.022 0.000 1.093 119 T CA -0.686 61.419 62.100 0.008 0.000 1.002 119 T CB 1.665 70.538 68.868 0.008 0.000 1.127 119 T HN 0.891 nan 8.240 nan 0.000 0.488 120 A N 1.468 124.273 122.820 -0.024 0.000 2.355 120 A HA 0.792 5.121 4.320 0.014 0.000 0.317 120 A C -1.033 176.535 177.584 -0.027 0.000 1.094 120 A CA -0.667 51.343 52.037 -0.046 0.000 0.764 120 A CB 1.143 20.109 19.000 -0.057 0.000 1.230 120 A HN 0.661 nan 8.150 nan 0.000 0.448 121 V N 3.242 123.133 119.914 -0.039 0.000 2.349 121 V HA 0.460 4.588 4.120 0.014 0.000 0.284 121 V C -0.244 175.798 176.094 -0.086 0.000 1.014 121 V CA -0.525 61.747 62.300 -0.047 0.000 0.826 121 V CB 0.953 32.751 31.823 -0.041 0.000 1.009 121 V HN 0.683 nan 8.190 nan 0.000 0.431 122 V N 3.608 123.454 119.914 -0.114 0.000 2.732 122 V HA 1.101 5.229 4.120 0.014 0.000 0.310 122 V C 0.464 176.450 176.094 -0.180 0.000 1.053 122 V CA 0.400 62.560 62.300 -0.234 0.000 0.957 122 V CB 1.256 32.887 31.823 -0.320 0.000 1.018 122 V HN 1.208 nan 8.190 nan 0.000 0.452 123 T N 0.000 114.429 114.554 -0.208 0.000 3.816 123 T HA 0.000 4.358 4.350 0.014 0.000 0.228 123 T CA 0.000 62.020 62.100 -0.134 0.000 1.349 123 T CB 0.000 68.813 68.868 -0.091 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658