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 1dvs_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 0.000 174.997 174.990 0.012 0.000 1.270 10 C CA 0.000 59.029 59.018 0.018 0.000 1.963 10 C CB 0.000 27.774 27.740 0.056 0.000 2.134 11 P HA 0.062 nan 4.420 nan 0.000 0.221 11 P C -0.060 177.224 177.300 -0.026 0.000 1.150 11 P CA 0.705 63.840 63.100 0.057 0.000 0.800 11 P CB 0.262 32.045 31.700 0.137 0.000 0.787 12 L N -0.799 120.286 121.223 -0.231 0.000 2.385 12 L HA 0.635 4.975 4.340 0.000 0.000 0.273 12 L C -1.055 175.713 176.870 -0.171 0.000 0.990 12 L CA -0.662 54.026 54.840 -0.252 0.000 0.821 12 L CB 1.716 43.431 42.059 -0.573 0.000 1.279 12 L HN -0.227 nan 8.230 nan 0.000 0.412 13 M N 5.173 124.690 119.600 -0.137 0.000 2.446 13 M HA 0.580 5.060 4.480 0.000 0.000 0.294 13 M C -1.987 174.201 176.300 -0.187 0.000 1.158 13 M CA -0.549 54.629 55.300 -0.204 0.000 0.899 13 M CB 2.240 34.711 32.600 -0.214 0.000 1.687 13 M HN 0.376 nan 8.290 nan 0.000 0.455 14 V N 4.055 123.836 119.914 -0.222 0.000 2.495 14 V HA 0.562 4.682 4.120 0.000 0.000 0.298 14 V C -0.765 175.219 176.094 -0.183 0.000 1.031 14 V CA -0.761 61.437 62.300 -0.170 0.000 0.871 14 V CB 2.109 33.847 31.823 -0.142 0.000 0.988 14 V HN 0.825 nan 8.190 nan 0.000 0.432 15 K N 3.660 123.976 120.400 -0.140 0.000 2.426 15 K HA 0.741 5.061 4.320 0.000 0.000 0.254 15 K C -1.623 174.911 176.600 -0.110 0.000 0.936 15 K CA -0.358 55.857 56.287 -0.120 0.000 0.801 15 K CB 1.898 34.343 32.500 -0.091 0.000 1.139 15 K HN 0.423 nan 8.250 nan 0.000 0.424 16 V N 5.873 125.711 119.914 -0.126 0.000 2.487 16 V HA 0.528 4.649 4.120 0.000 0.000 0.298 16 V C -0.609 175.396 176.094 -0.148 0.000 1.028 16 V CA -0.833 61.374 62.300 -0.155 0.000 0.860 16 V CB 1.344 33.029 31.823 -0.230 0.000 0.991 16 V HN 0.679 nan 8.190 nan 0.000 0.427 17 L N 3.061 124.219 121.223 -0.109 0.000 2.333 17 L HA 0.662 5.002 4.340 0.000 0.000 0.269 17 L C -0.699 176.145 176.870 -0.043 0.000 1.010 17 L CA -0.619 54.183 54.840 -0.063 0.000 0.818 17 L CB 2.261 44.314 42.059 -0.010 0.000 1.306 17 L HN 0.547 nan 8.230 nan 0.000 0.430 18 D N 1.003 121.410 120.400 0.011 0.000 2.349 18 D HA 0.362 5.002 4.640 0.000 0.000 0.232 18 D C 0.319 176.733 176.300 0.189 0.000 1.071 18 D CA -0.308 53.768 54.000 0.125 0.000 0.832 18 D CB 2.250 43.140 40.800 0.151 0.000 1.086 18 D HN 0.614 nan 8.370 nan 0.000 0.504 19 A N 3.300 126.275 122.820 0.258 0.000 2.169 19 A HA 0.050 4.370 4.320 0.000 0.000 0.212 19 A C 1.813 179.520 177.584 0.205 0.000 1.153 19 A CA 0.385 52.542 52.037 0.200 0.000 0.756 19 A CB 0.223 19.334 19.000 0.185 0.000 0.813 19 A HN 0.477 nan 8.150 nan 0.000 0.471 20 V N -0.494 119.600 119.914 0.301 0.000 2.500 20 V HA -0.047 4.073 4.120 0.000 0.000 0.243 20 V C 2.283 178.493 176.094 0.192 0.000 1.039 20 V CA 1.489 63.938 62.300 0.248 0.000 1.053 20 V CB -0.481 31.550 31.823 0.346 0.000 0.695 20 V HN 0.507 nan 8.190 nan 0.000 0.463 21 R N 0.062 120.685 120.500 0.206 0.000 2.312 21 R HA 0.283 4.623 4.340 0.000 0.000 0.205 21 R C 1.355 177.718 176.300 0.104 0.000 0.904 21 R CA 0.636 56.821 56.100 0.140 0.000 1.052 21 R CB 0.410 30.793 30.300 0.138 0.000 1.014 21 R HN 0.517 nan 8.270 nan 0.000 0.503 22 G N 2.257 111.122 108.800 0.108 0.000 2.298 22 G HA2 -0.284 3.677 3.960 0.000 0.000 0.287 22 G HA3 -0.284 3.677 3.960 0.000 0.000 0.287 22 G C -0.124 174.813 174.900 0.062 0.000 1.075 22 G CA 0.583 45.729 45.100 0.077 0.000 0.960 22 G HN 0.456 nan 8.290 nan 0.000 0.502 23 S N -1.852 113.888 115.700 0.067 0.000 2.671 23 S HA 0.881 5.351 4.470 0.000 0.000 0.277 23 S C -3.244 171.373 174.600 0.029 0.000 1.165 23 S CA -1.522 56.707 58.200 0.047 0.000 0.822 23 S CB 2.808 66.041 63.200 0.054 0.000 1.150 23 S HN 0.084 nan 8.310 nan 0.000 0.479 24 P HA 0.415 nan 4.420 nan 0.000 0.272 24 P C -1.094 176.178 177.300 -0.047 0.000 1.223 24 P CA -0.248 62.837 63.100 -0.025 0.000 0.784 24 P CB 0.377 32.066 31.700 -0.019 0.000 0.923 25 A N 3.882 126.611 122.820 -0.153 0.000 2.415 25 A HA 0.361 4.681 4.320 0.000 0.000 0.309 25 A C 0.151 177.616 177.584 -0.198 0.000 1.356 25 A CA -0.406 51.433 52.037 -0.330 0.000 0.998 25 A CB -0.971 17.574 19.000 -0.760 0.000 1.145 25 A HN 0.450 nan 8.150 nan 0.000 0.545 26 I N 2.066 122.628 120.570 -0.013 0.000 2.472 26 I HA 0.146 4.317 4.170 0.000 0.000 0.290 26 I C 0.335 176.473 176.117 0.035 0.000 1.016 26 I CA -0.465 60.839 61.300 0.007 0.000 1.348 26 I CB 0.606 38.625 38.000 0.032 0.000 1.417 26 I HN 0.716 nan 8.210 nan 0.000 0.521 27 N N 2.348 121.046 118.700 -0.004 0.000 2.735 27 N HA -0.136 4.604 4.740 0.000 0.000 0.248 27 N C -0.813 174.699 175.510 0.003 0.000 1.083 27 N CA 0.344 53.394 53.050 0.001 0.000 0.703 27 N CB -1.064 37.436 38.487 0.020 0.000 1.005 27 N HN 0.268 nan 8.380 nan 0.000 0.550 28 V N 0.565 120.447 119.914 -0.054 0.000 2.461 28 V HA 0.535 4.655 4.120 0.000 0.000 0.275 28 V C 1.052 177.104 176.094 -0.069 0.000 1.047 28 V CA -0.744 61.509 62.300 -0.078 0.000 0.955 28 V CB 1.548 33.236 31.823 -0.224 0.000 0.988 28 V HN 0.372 nan 8.190 nan 0.000 0.471 29 A N 5.355 128.158 122.820 -0.027 0.000 2.450 29 A HA 0.601 4.922 4.320 0.000 0.000 0.255 29 A C -0.356 177.203 177.584 -0.042 0.000 1.096 29 A CA -0.162 51.856 52.037 -0.032 0.000 0.778 29 A CB 0.364 19.400 19.000 0.061 0.000 1.031 29 A HN 0.710 nan 8.150 nan 0.000 0.494 30 V N 4.108 123.935 119.914 -0.144 0.000 2.531 30 V HA 0.361 4.482 4.120 0.000 0.000 0.301 30 V C -0.927 174.996 176.094 -0.285 0.000 1.034 30 V CA -0.493 61.730 62.300 -0.129 0.000 0.865 30 V CB 1.546 33.291 31.823 -0.131 0.000 0.995 30 V HN 0.992 nan 8.190 nan 0.000 0.424 31 H N 2.158 121.159 119.070 -0.115 0.000 2.489 31 H HA 0.734 5.291 4.556 0.001 0.000 0.343 31 H C -0.613 174.540 175.328 -0.292 0.000 1.086 31 H CA -0.491 55.408 56.048 -0.248 0.000 1.198 31 H CB 2.057 31.673 29.762 -0.244 0.000 1.490 31 H HN 0.445 nan 8.280 nan 0.000 0.504 32 V N 4.562 124.302 119.914 -0.290 0.000 2.459 32 V HA 0.419 4.539 4.120 0.000 0.000 0.295 32 V C -0.724 175.223 176.094 -0.245 0.000 1.029 32 V CA -0.681 61.566 62.300 -0.088 0.000 0.874 32 V CB 0.775 32.684 31.823 0.145 0.000 0.985 32 V HN 0.538 nan 8.190 nan 0.000 0.438 33 F N 2.628 122.676 119.950 0.164 0.000 2.593 33 F HA 0.757 5.284 4.527 0.001 0.000 0.320 33 F C 0.127 176.047 175.800 0.201 0.000 1.060 33 F CA -0.864 57.260 58.000 0.207 0.000 0.940 33 F CB 1.962 41.022 39.000 0.100 0.000 1.268 33 F HN 0.333 nan 8.300 nan 0.000 0.475 34 R N 1.550 122.265 120.500 0.359 0.000 2.621 34 R HA 0.403 4.744 4.340 0.000 0.000 0.292 34 R C -1.112 175.203 176.300 0.026 0.000 0.969 34 R CA -0.881 55.145 56.100 -0.123 0.000 0.887 34 R CB 1.597 31.631 30.300 -0.445 0.000 1.180 34 R HN 0.705 nan 8.270 nan 0.000 0.450 35 K N 2.647 122.887 120.400 -0.266 0.000 2.379 35 K HA 0.266 4.586 4.320 0.000 0.000 0.284 35 K C -0.596 175.789 176.600 -0.359 0.000 1.044 35 K CA -0.054 55.882 56.287 -0.586 0.000 0.974 35 K CB 1.052 33.017 32.500 -0.891 0.000 0.962 35 K HN 0.667 nan 8.250 nan 0.000 0.474 36 A N 3.211 125.865 122.820 -0.275 0.000 2.257 36 A HA 0.459 4.780 4.320 0.000 0.000 0.289 36 A C 1.168 178.641 177.584 -0.185 0.000 1.095 36 A CA 0.273 52.206 52.037 -0.173 0.000 0.836 36 A CB 0.647 19.590 19.000 -0.096 0.000 1.111 36 A HN 0.919 nan 8.150 nan 0.000 0.497 37 A N 0.400 123.142 122.820 -0.129 0.000 1.958 37 A HA -0.190 4.130 4.320 0.000 0.000 0.221 37 A C 1.304 178.817 177.584 -0.120 0.000 1.178 37 A CA 2.106 54.074 52.037 -0.115 0.000 0.642 37 A CB -0.657 18.296 19.000 -0.078 0.000 0.816 37 A HN 0.875 nan 8.150 nan 0.000 0.453 38 D N -1.401 118.930 120.400 -0.116 0.000 2.413 38 D HA 0.037 4.677 4.640 0.000 0.000 0.237 38 D C -0.605 175.605 176.300 -0.149 0.000 1.171 38 D CA 0.497 54.432 54.000 -0.109 0.000 0.839 38 D CB -0.522 40.231 40.800 -0.078 0.000 0.950 38 D HN 0.403 nan 8.370 nan 0.000 0.499 39 D N -0.215 120.057 120.400 -0.213 0.000 2.945 39 D HA -0.131 4.509 4.640 0.000 0.000 0.225 39 D C -0.518 175.562 176.300 -0.367 0.000 1.158 39 D CA 0.940 54.759 54.000 -0.302 0.000 0.805 39 D CB -1.667 39.002 40.800 -0.218 0.000 1.098 39 D HN 0.311 nan 8.370 nan 0.000 0.426 40 T N -0.341 114.027 114.554 -0.310 0.000 2.925 40 T HA 0.411 4.762 4.350 0.000 0.000 0.285 40 T C 0.142 174.678 174.700 -0.273 0.000 1.021 40 T CA -0.423 61.534 62.100 -0.239 0.000 1.042 40 T CB 1.013 69.827 68.868 -0.090 0.000 1.037 40 T HN 0.046 nan 8.240 nan 0.000 0.481 41 W N 3.238 124.497 121.300 -0.068 0.000 2.342 41 W HA 0.345 5.005 4.660 -0.001 0.000 0.310 41 W C 0.648 177.221 176.519 0.089 0.000 1.128 41 W CA -0.793 56.523 57.345 -0.048 0.000 1.322 41 W CB 0.341 29.661 29.460 -0.233 0.000 1.251 41 W HN 0.640 nan 8.180 nan 0.000 0.439 42 E N 4.056 124.488 120.200 0.388 0.000 2.191 42 E HA 0.465 4.816 4.350 0.000 0.000 0.278 42 E C -2.526 174.350 176.600 0.460 0.000 0.972 42 E CA -2.581 54.028 56.400 0.347 0.000 0.804 42 E CB 1.290 31.106 29.700 0.193 0.000 1.110 42 E HN 0.049 nan 8.360 nan 0.000 0.394 43 P HA -0.087 nan 4.420 nan 0.000 0.264 43 P C -1.169 176.233 177.300 0.170 0.000 1.183 43 P CA 0.275 63.462 63.100 0.146 0.000 0.763 43 P CB 0.198 31.957 31.700 0.099 0.000 0.807 44 F N 3.391 123.295 119.950 -0.077 0.000 2.531 44 F HA 0.587 5.114 4.527 0.000 0.000 0.273 44 F C 0.170 175.950 175.800 -0.034 0.000 0.960 44 F CA 0.615 58.626 58.000 0.018 0.000 1.207 44 F CB 0.371 39.455 39.000 0.140 0.000 1.012 44 F HN 0.380 nan 8.300 nan 0.000 0.738 45 A N -0.355 122.405 122.820 -0.099 0.000 2.586 45 A HA 0.666 4.986 4.320 0.000 0.000 0.291 45 A C -1.142 176.317 177.584 -0.209 0.000 1.062 45 A CA 0.071 51.985 52.037 -0.205 0.000 0.666 45 A CB 0.589 19.464 19.000 -0.209 0.000 1.281 45 A HN 0.581 nan 8.150 nan 0.000 0.421 46 S N -0.864 114.693 115.700 -0.239 0.000 2.587 46 S HA 0.965 5.435 4.470 0.000 0.000 0.269 46 S C -0.238 174.200 174.600 -0.271 0.000 1.154 46 S CA 0.093 58.085 58.200 -0.346 0.000 0.824 46 S CB 1.064 63.943 63.200 -0.535 0.000 1.118 46 S HN 2.729 nan 8.310 nan 0.000 0.462 47 G N 0.409 109.034 108.800 -0.291 0.000 2.340 47 G HA2 0.570 4.530 3.960 0.000 0.000 0.299 47 G HA3 0.570 4.530 3.960 0.000 0.000 0.299 47 G C -2.362 172.435 174.900 -0.172 0.000 1.291 47 G CA -0.894 44.091 45.100 -0.191 0.000 0.841 47 G HN 0.732 nan 8.290 nan 0.000 0.500 48 K N 0.509 120.840 120.400 -0.115 0.000 2.427 48 K HA 0.587 4.907 4.320 0.000 0.000 0.252 48 K C 0.020 176.574 176.600 -0.076 0.000 0.931 48 K CA -0.639 55.594 56.287 -0.090 0.000 0.793 48 K CB 2.112 34.575 32.500 -0.061 0.000 1.211 48 K HN 0.834 nan 8.250 nan 0.000 0.426 49 T N -0.586 113.918 114.554 -0.084 0.000 2.932 49 T HA 0.058 4.409 4.350 0.000 0.000 0.312 49 T C 0.795 175.468 174.700 -0.045 0.000 1.071 49 T CA -0.585 61.468 62.100 -0.077 0.000 1.128 49 T CB 0.757 69.561 68.868 -0.108 0.000 0.984 49 T HN 0.567 nan 8.240 nan 0.000 0.549 50 S N 1.798 117.484 115.700 -0.023 0.000 2.646 50 S HA 0.256 4.726 4.470 0.000 0.000 0.273 50 S C 1.181 175.776 174.600 -0.007 0.000 1.168 50 S CA -0.861 57.336 58.200 -0.005 0.000 1.013 50 S CB 0.417 63.629 63.200 0.019 0.000 1.098 50 S HN 0.724 nan 8.310 nan 0.000 0.544 51 E N 0.998 121.197 120.200 -0.001 0.000 2.209 51 E HA -0.091 4.259 4.350 0.000 0.000 0.196 51 E C 1.989 178.590 176.600 0.001 0.000 0.993 51 E CA 1.485 57.886 56.400 0.001 0.000 0.819 51 E CB -0.662 29.039 29.700 0.001 0.000 0.745 51 E HN 0.763 nan 8.360 nan 0.000 0.477 52 S N -0.958 114.745 115.700 0.006 0.000 2.605 52 S HA 0.264 4.734 4.470 0.000 0.000 0.217 52 S C 1.473 176.069 174.600 -0.007 0.000 0.958 52 S CA 0.435 58.640 58.200 0.009 0.000 0.919 52 S CB 0.193 63.410 63.200 0.029 0.000 0.780 52 S HN 0.267 nan 8.310 nan 0.000 0.507 53 G N 0.811 109.596 108.800 -0.026 0.000 2.153 53 G HA2 -0.244 3.716 3.960 0.000 0.000 0.252 53 G HA3 -0.244 3.716 3.960 0.000 0.000 0.252 53 G C -0.303 174.551 174.900 -0.077 0.000 0.994 53 G CA 0.376 45.437 45.100 -0.065 0.000 0.698 53 G HN 0.649 nan 8.290 nan 0.000 0.521 54 E N -1.183 118.989 120.200 -0.046 0.000 2.235 54 E HA 0.728 5.078 4.350 0.000 0.000 0.265 54 E C -0.895 175.643 176.600 -0.105 0.000 0.940 54 E CA -1.177 55.165 56.400 -0.097 0.000 0.819 54 E CB 2.258 31.944 29.700 -0.023 0.000 1.206 54 E HN 0.202 nan 8.360 nan 0.000 0.409 55 L N 2.270 123.347 121.223 -0.242 0.000 2.415 55 L HA 0.357 4.697 4.340 0.000 0.000 0.268 55 L C -1.592 175.110 176.870 -0.281 0.000 0.984 55 L CA -0.230 54.507 54.840 -0.172 0.000 0.853 55 L CB 0.612 42.580 42.059 -0.151 0.000 1.215 55 L HN 0.555 nan 8.230 nan 0.000 0.419 56 H N 2.566 121.594 119.070 -0.071 0.000 2.630 56 H HA 0.742 5.298 4.556 0.001 0.000 0.343 56 H C 0.872 176.154 175.328 -0.076 0.000 1.232 56 H CA -0.176 55.831 56.048 -0.069 0.000 1.294 56 H CB 1.503 31.232 29.762 -0.055 0.000 1.746 56 H HN 0.738 nan 8.280 nan 0.000 0.593 57 G N 0.305 109.145 108.800 0.067 0.000 2.249 57 G HA2 -0.284 3.676 3.960 0.000 0.000 0.273 57 G HA3 -0.284 3.676 3.960 0.000 0.000 0.273 57 G C 0.722 175.588 174.900 -0.057 0.000 1.036 57 G CA 0.663 45.760 45.100 -0.004 0.000 0.824 57 G HN 0.527 nan 8.290 nan 0.000 0.504 58 L N -1.337 119.835 121.223 -0.085 0.000 2.156 58 L HA 0.215 4.555 4.340 0.000 0.000 0.208 58 L C 1.672 178.458 176.870 -0.140 0.000 1.095 58 L CA 1.786 56.555 54.840 -0.117 0.000 0.770 58 L CB 0.110 42.098 42.059 -0.118 0.000 0.914 58 L HN 0.504 nan 8.230 nan 0.000 0.439 59 T N -2.280 112.203 114.554 -0.118 0.000 2.661 59 T HA 0.371 4.722 4.350 0.000 0.000 0.305 59 T C -0.957 173.722 174.700 -0.035 0.000 1.441 59 T CA -0.160 61.885 62.100 -0.092 0.000 0.999 59 T CB 1.547 70.424 68.868 0.015 0.000 1.650 59 T HN 0.123 nan 8.240 nan 0.000 0.489 60 T N -0.915 113.662 114.554 0.038 0.000 2.926 60 T HA 0.570 4.920 4.350 0.000 0.000 0.289 60 T C 0.855 175.647 174.700 0.153 0.000 1.054 60 T CA -0.648 61.492 62.100 0.067 0.000 1.015 60 T CB 1.668 70.566 68.868 0.051 0.000 1.167 60 T HN 0.629 nan 8.240 nan 0.000 0.526 61 E N -0.009 120.276 120.200 0.141 0.000 2.110 61 E HA -0.172 4.179 4.350 0.000 0.000 0.193 61 E C 1.741 178.451 176.600 0.184 0.000 0.988 61 E CA 1.182 57.694 56.400 0.187 0.000 0.804 61 E CB -0.001 29.779 29.700 0.132 0.000 0.745 61 E HN 0.774 nan 8.360 nan 0.000 0.458 62 E N 1.081 121.365 120.200 0.139 0.000 2.072 62 E HA -0.219 4.131 4.350 0.000 0.000 0.191 62 E C 1.969 178.666 176.600 0.162 0.000 0.985 62 E CA 1.361 57.834 56.400 0.122 0.000 0.801 62 E CB 0.006 29.757 29.700 0.085 0.000 0.750 62 E HN 0.214 nan 8.360 nan 0.000 0.452 63 Q N -1.129 118.793 119.800 0.204 0.000 2.269 63 Q HA -0.066 4.275 4.340 0.000 0.000 0.201 63 Q C 0.061 176.359 176.000 0.497 0.000 0.946 63 Q CA 0.222 56.197 55.803 0.286 0.000 0.877 63 Q CB -0.060 28.800 28.738 0.203 0.000 0.963 63 Q HN 0.250 nan 8.270 nan 0.000 0.472 64 F N 3.620 123.727 119.950 0.262 0.000 2.661 64 F HA 0.187 4.714 4.527 0.000 0.000 0.356 64 F C -0.135 175.733 175.800 0.113 0.000 1.244 64 F CA -1.254 56.858 58.000 0.187 0.000 1.290 64 F CB -0.369 38.677 39.000 0.076 0.000 1.677 64 F HN -0.075 nan 8.300 nan 0.000 0.649 65 V N 0.744 120.697 119.914 0.065 0.000 3.170 65 V HA 0.375 4.495 4.120 0.000 0.000 0.309 65 V C 0.444 176.449 176.094 -0.148 0.000 1.071 65 V CA -1.197 61.081 62.300 -0.037 0.000 1.063 65 V CB 0.628 32.472 31.823 0.035 0.000 1.123 65 V HN 0.432 nan 8.190 nan 0.000 0.464 66 E N 0.882 121.014 120.200 -0.113 0.000 2.442 66 E HA 0.462 4.812 4.350 0.000 0.000 0.262 66 E C 0.352 176.888 176.600 -0.106 0.000 1.004 66 E CA 0.966 57.300 56.400 -0.110 0.000 0.928 66 E CB 0.473 30.134 29.700 -0.065 0.000 0.937 66 E HN 1.219 nan 8.360 nan 0.000 0.446 67 G N 1.399 110.131 108.800 -0.114 0.000 2.324 67 G HA2 0.213 4.174 3.960 0.000 0.000 0.293 67 G HA3 0.213 4.174 3.960 0.000 0.000 0.293 67 G C -1.394 173.345 174.900 -0.267 0.000 1.297 67 G CA -1.079 43.874 45.100 -0.245 0.000 0.853 67 G HN 0.386 nan 8.290 nan 0.000 0.535 68 I N 0.786 121.126 120.570 -0.383 0.000 2.336 68 I HA 0.483 4.653 4.170 0.000 0.000 0.292 68 I C -0.858 175.048 176.117 -0.351 0.000 0.991 68 I CA -0.624 60.523 61.300 -0.256 0.000 1.227 68 I CB 1.269 39.172 38.000 -0.161 0.000 1.366 68 I HN 0.391 nan 8.210 nan 0.000 0.466 69 Y N 4.704 124.793 120.300 -0.352 0.000 2.509 69 Y HA 0.502 5.052 4.550 0.001 0.000 0.341 69 Y C -0.059 175.697 175.900 -0.241 0.000 1.038 69 Y CA -0.925 56.993 58.100 -0.304 0.000 1.089 69 Y CB 1.899 39.985 38.460 -0.624 0.000 1.241 69 Y HN 0.386 nan 8.280 nan 0.000 0.468 70 K N 1.691 122.088 120.400 -0.004 0.000 2.463 70 K HA 0.692 5.012 4.320 0.000 0.000 0.255 70 K C -2.101 174.545 176.600 0.078 0.000 0.942 70 K CA -0.553 55.633 56.287 -0.167 0.000 0.814 70 K CB 1.249 33.201 32.500 -0.913 0.000 1.122 70 K HN 0.525 nan 8.250 nan 0.000 0.425 71 V N 4.146 124.145 119.914 0.141 0.000 2.350 71 V HA 0.257 4.378 4.120 0.000 0.000 0.276 71 V C -0.383 175.738 176.094 0.045 0.000 1.028 71 V CA -0.587 61.790 62.300 0.128 0.000 0.860 71 V CB 1.166 33.083 31.823 0.156 0.000 0.990 71 V HN 0.821 nan 8.190 nan 0.000 0.453 72 E N 5.282 125.511 120.200 0.048 0.000 2.145 72 E HA 0.534 4.884 4.350 0.000 0.000 0.270 72 E C -1.189 175.399 176.600 -0.020 0.000 0.906 72 E CA -0.600 55.778 56.400 -0.036 0.000 0.761 72 E CB 1.271 30.950 29.700 -0.035 0.000 1.116 72 E HN 0.648 nan 8.360 nan 0.000 0.408 73 I N 3.814 124.347 120.570 -0.061 0.000 2.330 73 I HA 0.110 4.280 4.170 0.000 0.000 0.289 73 I C -0.121 175.992 176.117 -0.006 0.000 1.001 73 I CA -0.738 60.528 61.300 -0.056 0.000 1.193 73 I CB 1.316 39.242 38.000 -0.124 0.000 1.345 73 I HN 0.486 nan 8.210 nan 0.000 0.461 74 D N 5.001 125.421 120.400 0.033 0.000 2.541 74 D HA -0.014 4.626 4.640 0.000 0.000 0.231 74 D C 1.509 177.851 176.300 0.070 0.000 1.163 74 D CA 0.030 54.080 54.000 0.083 0.000 1.077 74 D CB 0.541 41.400 40.800 0.098 0.000 1.110 74 D HN 0.675 nan 8.370 nan 0.000 0.499 75 T N -0.095 114.509 114.554 0.084 0.000 2.904 75 T HA -0.147 4.203 4.350 0.000 0.000 0.267 75 T C 1.818 176.665 174.700 0.246 0.000 1.059 75 T CA 0.736 62.903 62.100 0.113 0.000 1.137 75 T CB -0.020 68.952 68.868 0.173 0.000 0.879 75 T HN 0.269 nan 8.240 nan 0.000 0.467 76 K N 1.127 121.668 120.400 0.236 0.000 2.032 76 K HA -0.101 4.219 4.320 0.000 0.000 0.209 76 K C 2.574 179.286 176.600 0.187 0.000 1.048 76 K CA 1.645 58.071 56.287 0.233 0.000 0.927 76 K CB -0.370 32.212 32.500 0.136 0.000 0.712 76 K HN 0.339 nan 8.250 nan 0.000 0.441 77 S N -0.055 115.723 115.700 0.130 0.000 2.399 77 S HA -0.169 4.301 4.470 0.000 0.000 0.231 77 S C 1.559 176.196 174.600 0.063 0.000 1.022 77 S CA 1.187 59.440 58.200 0.088 0.000 0.983 77 S CB -0.447 62.798 63.200 0.075 0.000 0.803 77 S HN 0.412 nan 8.310 nan 0.000 0.480 78 Y N 0.848 121.095 120.300 -0.089 0.000 2.145 78 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 78 Y C 1.815 177.572 175.900 -0.239 0.000 1.145 78 Y CA 1.300 59.253 58.100 -0.244 0.000 1.148 78 Y CB -0.577 37.609 38.460 -0.456 0.000 0.981 78 Y HN 0.290 nan 8.280 nan 0.000 0.507 79 W N 0.803 122.107 121.300 0.005 0.000 2.418 79 W HA -0.114 4.545 4.660 -0.000 0.000 0.292 79 W C 2.281 178.754 176.519 -0.077 0.000 1.213 79 W CA 0.736 58.041 57.345 -0.067 0.000 1.283 79 W CB -0.100 29.400 29.460 0.067 0.000 1.119 79 W HN -0.174 nan 8.180 nan 0.000 0.542 80 K N 0.378 120.881 120.400 0.171 0.000 2.103 80 K HA -0.128 4.192 4.320 0.000 0.000 0.207 80 K C 2.066 178.683 176.600 0.028 0.000 1.048 80 K CA 1.520 57.863 56.287 0.094 0.000 0.930 80 K CB -1.097 31.447 32.500 0.073 0.000 0.716 80 K HN 0.185 nan 8.250 nan 0.000 0.444 81 A N 0.957 123.755 122.820 -0.036 0.000 2.121 81 A HA -0.045 4.276 4.320 0.000 0.000 0.218 81 A C 1.929 179.461 177.584 -0.087 0.000 1.154 81 A CA 0.914 52.908 52.037 -0.072 0.000 0.679 81 A CB -0.364 18.567 19.000 -0.115 0.000 0.795 81 A HN 0.194 nan 8.150 nan 0.000 0.458 82 L N -1.486 119.685 121.223 -0.087 0.000 2.640 82 L HA 0.263 4.603 4.340 0.000 0.000 0.230 82 L C 1.447 178.343 176.870 0.042 0.000 1.123 82 L CA 0.417 55.232 54.840 -0.042 0.000 0.900 82 L CB 0.026 42.052 42.059 -0.055 0.000 1.146 82 L HN 0.508 nan 8.230 nan 0.000 0.484 83 G N 1.357 110.186 108.800 0.048 0.000 2.160 83 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 83 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 83 G C -0.011 174.937 174.900 0.081 0.000 1.022 83 G CA -0.009 45.124 45.100 0.056 0.000 0.741 83 G HN 0.316 nan 8.290 nan 0.000 0.508 84 I N 1.327 121.973 120.570 0.127 0.000 2.465 84 I HA 0.414 4.584 4.170 0.000 0.000 0.291 84 I C 0.603 176.788 176.117 0.114 0.000 1.014 84 I CA -0.758 60.614 61.300 0.119 0.000 1.093 84 I CB 2.133 40.220 38.000 0.146 0.000 1.267 84 I HN 0.250 nan 8.210 nan 0.000 0.431 85 S N 7.245 122.986 115.700 0.068 0.000 2.416 85 S HA 0.463 4.933 4.470 0.000 0.000 0.287 85 S C -2.182 172.399 174.600 -0.032 0.000 1.139 85 S CA -1.117 57.110 58.200 0.046 0.000 1.058 85 S CB 0.351 63.583 63.200 0.053 0.000 0.967 85 S HN 0.382 nan 8.310 nan 0.000 0.495 86 P HA 0.280 nan 4.420 nan 0.000 0.278 86 P C 0.163 177.254 177.300 -0.347 0.000 1.266 86 P CA -0.729 62.242 63.100 -0.214 0.000 0.807 86 P CB 0.741 32.482 31.700 0.069 0.000 1.094 87 F N 0.439 119.956 119.950 -0.721 0.000 2.220 87 F HA 0.095 4.623 4.527 0.002 0.000 0.290 87 F C 0.942 176.455 175.800 -0.479 0.000 1.080 87 F CA 0.730 58.253 58.000 -0.795 0.000 1.318 87 F CB -0.628 37.705 39.000 -1.111 0.000 1.063 87 F HN 0.279 nan 8.300 nan 0.000 0.498 88 H N 0.614 119.638 119.070 -0.078 0.000 2.562 88 H HA 0.162 4.718 4.556 0.000 0.000 0.352 88 H C 1.206 176.453 175.328 -0.135 0.000 1.125 88 H CA -0.068 55.921 56.048 -0.098 0.000 1.379 88 H CB 0.600 30.465 29.762 0.171 0.000 1.464 88 H HN 0.057 nan 8.280 nan 0.000 0.563 89 E N 1.433 121.552 120.200 -0.135 0.000 2.152 89 E HA -0.060 4.290 4.350 0.000 0.000 0.192 89 E C 0.334 176.883 176.600 -0.084 0.000 0.983 89 E CA 1.095 57.382 56.400 -0.188 0.000 0.818 89 E CB 0.148 29.631 29.700 -0.362 0.000 0.758 89 E HN 0.819 nan 8.360 nan 0.000 0.467 90 H N -3.662 115.454 119.070 0.077 0.000 2.868 90 H HA 0.575 5.131 4.556 0.000 0.000 0.278 90 H C -1.470 173.803 175.328 -0.091 0.000 1.454 90 H CA -0.729 55.324 56.048 0.007 0.000 1.145 90 H CB 0.646 30.400 29.762 -0.013 0.000 1.808 90 H HN -0.058 nan 8.280 nan 0.000 0.500 91 A N 1.008 123.819 122.820 -0.016 0.000 2.331 91 A HA 0.547 4.867 4.320 0.000 0.000 0.320 91 A C -0.675 176.850 177.584 -0.099 0.000 1.138 91 A CA -0.655 51.141 52.037 -0.401 0.000 0.790 91 A CB 1.349 19.731 19.000 -1.030 0.000 1.206 91 A HN 0.598 nan 8.150 nan 0.000 0.470 92 E N 0.723 120.934 120.200 0.017 0.000 2.238 92 E HA 0.583 4.933 4.350 0.000 0.000 0.267 92 E C -1.469 175.177 176.600 0.076 0.000 0.887 92 E CA -0.851 55.567 56.400 0.031 0.000 0.769 92 E CB 2.614 32.342 29.700 0.047 0.000 1.187 92 E HN 0.321 nan 8.360 nan 0.000 0.416 93 V N 2.837 122.802 119.914 0.085 0.000 2.447 93 V HA 0.263 4.383 4.120 0.000 0.000 0.292 93 V C -0.729 175.522 176.094 0.262 0.000 1.021 93 V CA -0.776 61.624 62.300 0.167 0.000 0.850 93 V CB 1.637 33.542 31.823 0.136 0.000 1.005 93 V HN 0.416 nan 8.190 nan 0.000 0.426 94 V N 6.833 126.903 119.914 0.260 0.000 2.384 94 V HA 0.718 4.839 4.120 0.000 0.000 0.287 94 V C -0.459 175.864 176.094 0.380 0.000 1.020 94 V CA -0.462 61.990 62.300 0.254 0.000 0.850 94 V CB 1.152 33.084 31.823 0.182 0.000 0.987 94 V HN 0.802 nan 8.190 nan 0.000 0.436 95 F N 1.315 121.357 119.950 0.153 0.000 2.686 95 F HA 0.767 5.295 4.527 0.001 0.000 0.311 95 F C -0.439 175.447 175.800 0.143 0.000 1.128 95 F CA -1.025 57.055 58.000 0.134 0.000 0.946 95 F CB 1.413 40.482 39.000 0.114 0.000 1.336 95 F HN 0.202 nan 8.300 nan 0.000 0.457 96 T N 1.976 116.628 114.554 0.162 0.000 2.767 96 T HA 0.665 5.016 4.350 0.000 0.000 0.288 96 T C -0.163 174.610 174.700 0.121 0.000 0.963 96 T CA -0.207 61.919 62.100 0.045 0.000 1.019 96 T CB 1.021 69.930 68.868 0.068 0.000 0.923 96 T HN 0.897 nan 8.240 nan 0.000 0.468 97 A N 3.772 126.563 122.820 -0.048 0.000 2.391 97 A HA 0.297 4.617 4.320 0.000 0.000 0.316 97 A C 1.517 179.088 177.584 -0.021 0.000 1.381 97 A CA -0.666 51.290 52.037 -0.134 0.000 0.998 97 A CB -0.101 18.480 19.000 -0.699 0.000 1.147 97 A HN 0.832 nan 8.150 nan 0.000 0.545 98 N N 2.341 121.129 118.700 0.147 0.000 2.039 98 N HA -0.160 4.580 4.740 0.000 0.000 0.193 98 N C 0.142 175.692 175.510 0.067 0.000 1.044 98 N CA 1.838 54.950 53.050 0.104 0.000 0.847 98 N CB -0.085 38.484 38.487 0.135 0.000 1.030 98 N HN 0.801 nan 8.380 nan 0.000 0.422 99 D N -0.227 120.242 120.400 0.114 0.000 2.823 99 D HA -0.123 4.518 4.640 0.000 0.000 0.248 99 D C -1.271 175.062 176.300 0.056 0.000 1.076 99 D CA 0.679 54.725 54.000 0.076 0.000 0.760 99 D CB -1.515 39.295 40.800 0.016 0.000 1.065 99 D HN 0.386 nan 8.370 nan 0.000 0.432 100 S N 0.368 116.103 115.700 0.059 0.000 2.252 100 S HA 0.665 5.135 4.470 0.000 0.000 0.187 100 S C 0.492 175.109 174.600 0.028 0.000 1.587 100 S CA 0.421 58.644 58.200 0.038 0.000 1.215 100 S CB 1.347 64.569 63.200 0.036 0.000 1.085 100 S HN 1.297 nan 8.310 nan 0.000 0.466 101 G N 2.823 111.640 108.800 0.028 0.000 2.662 101 G HA2 0.022 3.982 3.960 0.000 0.000 0.686 101 G HA3 0.022 3.982 3.960 0.000 0.000 0.686 101 G C -3.285 171.628 174.900 0.023 0.000 1.271 101 G CA -1.229 43.883 45.100 0.020 0.000 0.816 101 G HN 0.557 nan 8.290 nan 0.000 0.608 102 P HA 0.375 nan 4.420 nan 0.000 0.262 102 P C 0.007 177.306 177.300 -0.002 0.000 1.199 102 P CA 0.486 63.599 63.100 0.022 0.000 0.763 102 P CB 0.335 32.044 31.700 0.016 0.000 0.790 103 R N 3.047 123.553 120.500 0.010 0.000 2.548 103 R HA 0.471 4.811 4.340 0.000 0.000 0.280 103 R C -0.511 175.761 176.300 -0.048 0.000 1.061 103 R CA -0.945 55.104 56.100 -0.085 0.000 0.915 103 R CB 2.289 32.473 30.300 -0.194 0.000 1.210 103 R HN 0.308 nan 8.270 nan 0.000 0.442 104 R N 2.263 122.689 120.500 -0.124 0.000 2.514 104 R HA 0.374 4.714 4.340 0.000 0.000 0.301 104 R C -1.063 175.155 176.300 -0.137 0.000 0.962 104 R CA -0.737 55.353 56.100 -0.017 0.000 0.882 104 R CB 1.273 31.568 30.300 -0.008 0.000 1.143 104 R HN 0.518 nan 8.270 nan 0.000 0.452 105 Y N 0.096 120.402 120.300 0.010 0.000 2.328 105 Y HA 0.307 4.858 4.550 0.001 0.000 0.337 105 Y C 0.367 176.204 175.900 -0.106 0.000 0.966 105 Y CA -0.439 57.636 58.100 -0.042 0.000 1.136 105 Y CB 2.144 40.600 38.460 -0.007 0.000 1.170 105 Y HN 0.318 nan 8.280 nan 0.000 0.470 106 T N 5.480 120.037 114.554 0.005 0.000 2.772 106 T HA 0.475 4.825 4.350 0.000 0.000 0.288 106 T C -0.457 174.197 174.700 -0.078 0.000 0.994 106 T CA -0.502 61.567 62.100 -0.051 0.000 0.951 106 T CB 0.276 69.111 68.868 -0.056 0.000 0.933 106 T HN 0.260 nan 8.240 nan 0.000 0.447 107 I N 3.534 124.042 120.570 -0.104 0.000 2.312 107 I HA 0.575 4.745 4.170 0.000 0.000 0.290 107 I C 0.423 176.486 176.117 -0.090 0.000 1.008 107 I CA -0.920 60.309 61.300 -0.118 0.000 1.226 107 I CB 0.581 38.499 38.000 -0.137 0.000 1.371 107 I HN 0.631 nan 8.210 nan 0.000 0.468 108 A N 5.595 128.375 122.820 -0.067 0.000 2.337 108 A HA 0.941 5.262 4.320 0.000 0.000 0.329 108 A C -0.469 177.098 177.584 -0.030 0.000 1.146 108 A CA -0.527 51.479 52.037 -0.053 0.000 0.800 108 A CB 1.563 20.540 19.000 -0.039 0.000 1.220 108 A HN 0.803 nan 8.150 nan 0.000 0.472 109 A N 1.339 124.138 122.820 -0.034 0.000 2.398 109 A HA 0.646 4.966 4.320 0.000 0.000 0.301 109 A C -1.390 176.199 177.584 0.008 0.000 1.041 109 A CA -0.401 51.634 52.037 -0.003 0.000 0.711 109 A CB 1.156 20.125 19.000 -0.053 0.000 1.240 109 A HN 1.541 nan 8.150 nan 0.000 0.420 110 L N 3.514 124.779 121.223 0.070 0.000 2.298 110 L HA 0.672 5.013 4.340 0.000 0.000 0.284 110 L C -1.117 175.856 176.870 0.171 0.000 1.013 110 L CA -0.241 54.653 54.840 0.090 0.000 0.824 110 L CB 0.762 42.874 42.059 0.088 0.000 1.221 110 L HN 0.604 nan 8.230 nan 0.000 0.418 111 L N 4.218 125.560 121.223 0.198 0.000 2.309 111 L HA 0.694 5.034 4.340 0.000 0.000 0.282 111 L C 0.144 177.377 176.870 0.606 0.000 1.036 111 L CA -0.350 54.726 54.840 0.394 0.000 0.806 111 L CB 1.568 43.831 42.059 0.340 0.000 1.220 111 L HN 0.592 nan 8.230 nan 0.000 0.429 112 S N 1.632 117.648 115.700 0.528 0.000 2.599 112 S HA 0.447 4.917 4.470 0.000 0.000 0.287 112 S C -2.040 172.483 174.600 -0.129 0.000 1.105 112 S CA -0.942 57.391 58.200 0.223 0.000 0.899 112 S CB 2.464 65.748 63.200 0.139 0.000 1.100 112 S HN 0.348 nan 8.310 nan 0.000 0.482 113 P HA -0.070 nan 4.420 nan 0.000 0.216 113 P C 0.096 177.277 177.300 -0.199 0.000 1.153 113 P CA 1.451 64.079 63.100 -0.786 0.000 0.858 113 P CB 0.068 31.456 31.700 -0.519 0.000 0.789 114 Y N -1.899 118.343 120.300 -0.096 0.000 2.636 114 Y HA 0.460 5.011 4.550 0.001 0.000 0.260 114 Y C 0.717 176.689 175.900 0.120 0.000 1.177 114 Y CA -0.109 57.984 58.100 -0.012 0.000 1.209 114 Y CB 0.415 38.775 38.460 -0.167 0.000 1.166 114 Y HN -0.156 nan 8.280 nan 0.000 0.531 115 S N 0.131 116.028 115.700 0.329 0.000 2.547 115 S HA 0.661 5.131 4.470 0.000 0.000 0.270 115 S C -1.908 172.856 174.600 0.274 0.000 1.150 115 S CA -0.519 57.830 58.200 0.248 0.000 0.850 115 S CB 0.865 64.130 63.200 0.109 0.000 1.118 115 S HN 0.185 nan 8.310 nan 0.000 0.461 116 Y N -0.112 120.226 120.300 0.064 0.000 2.552 116 Y HA 0.823 5.373 4.550 0.000 0.000 0.337 116 Y C -0.781 175.130 175.900 0.017 0.000 1.094 116 Y CA -0.845 57.277 58.100 0.037 0.000 1.028 116 Y CB 1.144 39.594 38.460 -0.015 0.000 1.321 116 Y HN 0.574 nan 8.280 nan 0.000 0.456 117 S N 1.681 117.514 115.700 0.222 0.000 2.526 117 S HA 0.777 5.247 4.470 0.000 0.000 0.293 117 S C -1.255 173.447 174.600 0.171 0.000 1.092 117 S CA -0.203 58.071 58.200 0.122 0.000 0.980 117 S CB 1.709 64.951 63.200 0.070 0.000 1.048 117 S HN 1.060 nan 8.310 nan 0.000 0.483 118 T N 2.102 116.738 114.554 0.137 0.000 2.909 118 T HA 0.698 5.049 4.350 0.000 0.000 0.299 118 T C -1.012 173.718 174.700 0.051 0.000 1.073 118 T CA -0.269 61.891 62.100 0.101 0.000 0.999 118 T CB 1.862 70.808 68.868 0.131 0.000 1.098 118 T HN 0.675 nan 8.240 nan 0.000 0.477 119 T N 1.526 116.090 114.554 0.017 0.000 2.864 119 T HA 0.790 5.141 4.350 0.000 0.000 0.299 119 T C -1.602 173.079 174.700 -0.033 0.000 1.166 119 T CA -0.275 61.824 62.100 -0.001 0.000 1.007 119 T CB 1.385 70.253 68.868 -0.000 0.000 1.219 119 T HN 0.980 nan 8.240 nan 0.000 0.506 120 A N 1.984 124.780 122.820 -0.041 0.000 2.355 120 A HA 0.779 5.099 4.320 0.000 0.000 0.317 120 A C -1.145 176.407 177.584 -0.053 0.000 1.094 120 A CA -0.550 51.446 52.037 -0.069 0.000 0.764 120 A CB 1.480 20.423 19.000 -0.095 0.000 1.230 120 A HN 0.720 nan 8.150 nan 0.000 0.448 121 V N 2.826 122.703 119.914 -0.061 0.000 2.350 121 V HA 0.406 4.526 4.120 0.000 0.000 0.285 121 V C -0.527 175.508 176.094 -0.098 0.000 1.014 121 V CA -0.496 61.766 62.300 -0.063 0.000 0.831 121 V CB 1.261 33.053 31.823 -0.050 0.000 1.000 121 V HN 0.610 nan 8.190 nan 0.000 0.433 122 V N 5.038 124.877 119.914 -0.126 0.000 2.313 122 V HA 0.624 4.744 4.120 0.000 0.000 0.278 122 V C 0.450 176.444 176.094 -0.167 0.000 1.017 122 V CA -0.150 62.013 62.300 -0.229 0.000 0.823 122 V CB 1.426 33.079 31.823 -0.282 0.000 1.010 122 V HN 1.031 nan 8.190 nan 0.000 0.443 123 T N 0.000 114.462 114.554 -0.154 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.042 62.100 -0.097 0.000 1.349 123 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658