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 1dvt_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 0.000 174.996 174.990 0.010 0.000 1.270 10 C CA 0.000 59.027 59.018 0.015 0.000 1.963 10 C CB 0.000 27.768 27.740 0.047 0.000 2.134 11 P HA 0.065 nan 4.420 nan 0.000 0.223 11 P C -0.106 177.178 177.300 -0.027 0.000 1.151 11 P CA 0.693 63.826 63.100 0.055 0.000 0.787 11 P CB 0.244 32.029 31.700 0.141 0.000 0.788 12 L N -0.864 120.227 121.223 -0.219 0.000 2.409 12 L HA 0.605 4.945 4.340 0.001 0.000 0.272 12 L C -1.107 175.661 176.870 -0.170 0.000 0.980 12 L CA -0.642 54.051 54.840 -0.246 0.000 0.826 12 L CB 1.722 43.437 42.059 -0.575 0.000 1.268 12 L HN -0.235 nan 8.230 nan 0.000 0.407 13 M N 5.161 124.679 119.600 -0.137 0.000 2.457 13 M HA 0.629 5.109 4.480 0.001 0.000 0.300 13 M C -1.953 174.232 176.300 -0.191 0.000 1.141 13 M CA -0.599 54.578 55.300 -0.204 0.000 0.901 13 M CB 2.286 34.757 32.600 -0.214 0.000 1.687 13 M HN 0.389 nan 8.290 nan 0.000 0.449 14 V N 3.885 123.661 119.914 -0.229 0.000 2.604 14 V HA 0.573 4.693 4.120 0.001 0.000 0.305 14 V C -0.740 175.242 176.094 -0.188 0.000 1.043 14 V CA -0.785 61.410 62.300 -0.175 0.000 0.888 14 V CB 2.205 33.943 31.823 -0.143 0.000 0.995 14 V HN 0.842 nan 8.190 nan 0.000 0.429 15 K N 3.029 123.344 120.400 -0.142 0.000 2.443 15 K HA 0.802 5.122 4.320 0.001 0.000 0.252 15 K C -1.805 174.730 176.600 -0.108 0.000 0.933 15 K CA -0.467 55.747 56.287 -0.122 0.000 0.792 15 K CB 2.189 34.632 32.500 -0.096 0.000 1.185 15 K HN 0.485 nan 8.250 nan 0.000 0.425 16 V N 5.454 125.294 119.914 -0.123 0.000 2.531 16 V HA 0.499 4.619 4.120 0.001 0.000 0.301 16 V C -0.553 175.458 176.094 -0.139 0.000 1.034 16 V CA -0.891 61.321 62.300 -0.147 0.000 0.865 16 V CB 1.445 33.135 31.823 -0.222 0.000 0.995 16 V HN 0.677 nan 8.190 nan 0.000 0.424 17 L N 2.920 124.083 121.223 -0.099 0.000 2.333 17 L HA 0.654 4.994 4.340 0.001 0.000 0.269 17 L C -0.716 176.133 176.870 -0.036 0.000 1.010 17 L CA -0.613 54.194 54.840 -0.056 0.000 0.818 17 L CB 2.290 44.345 42.059 -0.006 0.000 1.306 17 L HN 0.565 nan 8.230 nan 0.000 0.430 18 D N 1.034 121.443 120.400 0.014 0.000 2.329 18 D HA 0.352 4.992 4.640 0.001 0.000 0.232 18 D C 0.345 176.759 176.300 0.190 0.000 1.088 18 D CA -0.291 53.786 54.000 0.129 0.000 0.835 18 D CB 2.235 43.127 40.800 0.153 0.000 1.078 18 D HN 0.614 nan 8.370 nan 0.000 0.495 19 A N 3.333 126.305 122.820 0.253 0.000 2.169 19 A HA 0.041 4.362 4.320 0.001 0.000 0.212 19 A C 1.851 179.554 177.584 0.198 0.000 1.153 19 A CA 0.383 52.536 52.037 0.192 0.000 0.756 19 A CB 0.194 19.297 19.000 0.172 0.000 0.813 19 A HN 0.482 nan 8.150 nan 0.000 0.471 20 V N -0.470 119.620 119.914 0.294 0.000 2.599 20 V HA -0.053 4.067 4.120 0.001 0.000 0.245 20 V C 2.234 178.443 176.094 0.192 0.000 1.046 20 V CA 1.543 63.989 62.300 0.244 0.000 1.065 20 V CB -0.504 31.525 31.823 0.343 0.000 0.703 20 V HN 0.515 nan 8.190 nan 0.000 0.464 21 R N -0.022 120.601 120.500 0.206 0.000 2.362 21 R HA 0.301 4.642 4.340 0.001 0.000 0.227 21 R C 1.352 177.715 176.300 0.105 0.000 0.905 21 R CA 0.602 56.787 56.100 0.142 0.000 1.067 21 R CB 0.536 30.920 30.300 0.141 0.000 1.078 21 R HN 0.504 nan 8.270 nan 0.000 0.516 22 G N 2.297 111.162 108.800 0.107 0.000 2.314 22 G HA2 -0.295 3.665 3.960 0.001 0.000 0.292 22 G HA3 -0.295 3.665 3.960 0.001 0.000 0.292 22 G C -0.106 174.831 174.900 0.062 0.000 1.059 22 G CA 0.670 45.816 45.100 0.076 0.000 0.982 22 G HN 0.458 nan 8.290 nan 0.000 0.505 23 S N -1.855 113.886 115.700 0.068 0.000 2.638 23 S HA 0.878 5.348 4.470 0.001 0.000 0.274 23 S C -3.208 171.411 174.600 0.032 0.000 1.157 23 S CA -1.535 56.694 58.200 0.049 0.000 0.826 23 S CB 2.863 66.097 63.200 0.056 0.000 1.139 23 S HN 0.070 nan 8.310 nan 0.000 0.474 24 P HA 0.402 nan 4.420 nan 0.000 0.272 24 P C -1.099 176.177 177.300 -0.040 0.000 1.223 24 P CA -0.235 62.853 63.100 -0.021 0.000 0.784 24 P CB 0.366 32.057 31.700 -0.014 0.000 0.923 25 A N 3.844 126.579 122.820 -0.142 0.000 2.391 25 A HA 0.382 4.703 4.320 0.001 0.000 0.316 25 A C 0.134 177.611 177.584 -0.178 0.000 1.381 25 A CA -0.436 51.414 52.037 -0.311 0.000 0.998 25 A CB -0.921 17.636 19.000 -0.739 0.000 1.147 25 A HN 0.445 nan 8.150 nan 0.000 0.545 26 I N 1.932 122.507 120.570 0.007 0.000 2.532 26 I HA 0.164 4.334 4.170 0.001 0.000 0.292 26 I C 0.301 176.447 176.117 0.049 0.000 1.014 26 I CA -0.527 60.784 61.300 0.019 0.000 1.340 26 I CB 0.635 38.656 38.000 0.036 0.000 1.422 26 I HN 0.718 nan 8.210 nan 0.000 0.528 27 N N 2.044 120.748 118.700 0.007 0.000 2.725 27 N HA -0.137 4.604 4.740 0.001 0.000 0.249 27 N C -0.788 174.731 175.510 0.015 0.000 1.103 27 N CA 0.356 53.412 53.050 0.010 0.000 0.707 27 N CB -1.190 37.311 38.487 0.024 0.000 1.043 27 N HN 0.267 nan 8.380 nan 0.000 0.553 28 V N 0.572 120.464 119.914 -0.036 0.000 2.461 28 V HA 0.537 4.657 4.120 0.001 0.000 0.275 28 V C 1.039 177.099 176.094 -0.056 0.000 1.047 28 V CA -0.729 61.533 62.300 -0.062 0.000 0.955 28 V CB 1.516 33.215 31.823 -0.207 0.000 0.988 28 V HN 0.375 nan 8.190 nan 0.000 0.471 29 A N 5.433 128.245 122.820 -0.014 0.000 2.409 29 A HA 0.613 4.933 4.320 0.001 0.000 0.262 29 A C -0.371 177.207 177.584 -0.011 0.000 1.113 29 A CA -0.168 51.863 52.037 -0.010 0.000 0.790 29 A CB 0.416 19.466 19.000 0.085 0.000 1.046 29 A HN 0.701 nan 8.150 nan 0.000 0.496 30 V N 3.948 123.801 119.914 -0.102 0.000 2.531 30 V HA 0.382 4.502 4.120 0.001 0.000 0.301 30 V C -0.959 175.000 176.094 -0.225 0.000 1.034 30 V CA -0.496 61.751 62.300 -0.088 0.000 0.865 30 V CB 1.649 33.404 31.823 -0.113 0.000 0.995 30 V HN 1.001 nan 8.190 nan 0.000 0.424 31 H N 2.053 121.057 119.070 -0.110 0.000 2.529 31 H HA 0.748 5.305 4.556 0.001 0.000 0.348 31 H C -0.649 174.493 175.328 -0.311 0.000 1.079 31 H CA -0.481 55.419 56.048 -0.247 0.000 1.198 31 H CB 2.094 31.726 29.762 -0.217 0.000 1.521 31 H HN 0.441 nan 8.280 nan 0.000 0.514 32 V N 4.391 124.104 119.914 -0.334 0.000 2.555 32 V HA 0.453 4.573 4.120 0.001 0.000 0.302 32 V C -0.792 175.102 176.094 -0.332 0.000 1.038 32 V CA -0.684 61.535 62.300 -0.135 0.000 0.887 32 V CB 0.932 32.831 31.823 0.127 0.000 0.991 32 V HN 0.543 nan 8.190 nan 0.000 0.434 33 F N 2.423 122.465 119.950 0.153 0.000 2.603 33 F HA 0.737 5.265 4.527 0.001 0.000 0.317 33 F C 0.057 175.970 175.800 0.190 0.000 1.066 33 F CA -0.848 57.271 58.000 0.198 0.000 0.941 33 F CB 1.987 41.041 39.000 0.090 0.000 1.291 33 F HN 0.318 nan 8.300 nan 0.000 0.472 34 R N 1.604 122.313 120.500 0.348 0.000 2.599 34 R HA 0.405 4.745 4.340 0.001 0.000 0.295 34 R C -1.004 175.316 176.300 0.034 0.000 0.963 34 R CA -0.891 55.134 56.100 -0.124 0.000 0.883 34 R CB 1.580 31.608 30.300 -0.453 0.000 1.171 34 R HN 0.715 nan 8.270 nan 0.000 0.450 35 K N 2.669 122.927 120.400 -0.237 0.000 2.383 35 K HA 0.223 4.543 4.320 0.001 0.000 0.286 35 K C -0.541 175.850 176.600 -0.349 0.000 1.051 35 K CA -0.030 55.920 56.287 -0.562 0.000 0.974 35 K CB 0.963 32.980 32.500 -0.804 0.000 0.968 35 K HN 0.663 nan 8.250 nan 0.000 0.475 36 A N 3.309 125.965 122.820 -0.273 0.000 2.246 36 A HA 0.448 4.769 4.320 0.001 0.000 0.291 36 A C 1.167 178.642 177.584 -0.182 0.000 1.103 36 A CA 0.317 52.252 52.037 -0.170 0.000 0.844 36 A CB 0.573 19.515 19.000 -0.096 0.000 1.136 36 A HN 0.917 nan 8.150 nan 0.000 0.500 37 A N 0.282 123.027 122.820 -0.125 0.000 1.948 37 A HA -0.168 4.152 4.320 0.001 0.000 0.220 37 A C 1.333 178.847 177.584 -0.117 0.000 1.177 37 A CA 2.050 54.020 52.037 -0.111 0.000 0.636 37 A CB -0.637 18.317 19.000 -0.076 0.000 0.815 37 A HN 0.875 nan 8.150 nan 0.000 0.449 38 D N -1.127 119.206 120.400 -0.113 0.000 2.352 38 D HA 0.018 4.659 4.640 0.001 0.000 0.236 38 D C -0.639 175.572 176.300 -0.149 0.000 1.148 38 D CA 0.517 54.452 54.000 -0.108 0.000 0.844 38 D CB -0.594 40.159 40.800 -0.078 0.000 0.933 38 D HN 0.401 nan 8.370 nan 0.000 0.507 39 D N -0.248 120.026 120.400 -0.209 0.000 2.945 39 D HA -0.131 4.509 4.640 0.001 0.000 0.225 39 D C -0.561 175.514 176.300 -0.375 0.000 1.158 39 D CA 0.928 54.748 54.000 -0.300 0.000 0.805 39 D CB -1.706 38.960 40.800 -0.223 0.000 1.098 39 D HN 0.311 nan 8.370 nan 0.000 0.426 40 T N -0.372 113.987 114.554 -0.324 0.000 2.925 40 T HA 0.422 4.772 4.350 0.001 0.000 0.285 40 T C 0.133 174.658 174.700 -0.292 0.000 1.021 40 T CA -0.474 61.465 62.100 -0.268 0.000 1.042 40 T CB 1.060 69.865 68.868 -0.104 0.000 1.037 40 T HN 0.051 nan 8.240 nan 0.000 0.481 41 W N 3.222 124.482 121.300 -0.067 0.000 2.387 41 W HA 0.343 5.003 4.660 -0.001 0.000 0.310 41 W C 0.683 177.253 176.519 0.085 0.000 1.181 41 W CA -0.780 56.538 57.345 -0.045 0.000 1.333 41 W CB 0.302 29.626 29.460 -0.227 0.000 1.286 41 W HN 0.640 nan 8.180 nan 0.000 0.455 42 E N 4.139 124.576 120.200 0.395 0.000 2.191 42 E HA 0.462 4.812 4.350 0.001 0.000 0.278 42 E C -2.530 174.354 176.600 0.473 0.000 0.972 42 E CA -2.607 54.004 56.400 0.351 0.000 0.804 42 E CB 1.291 31.110 29.700 0.199 0.000 1.110 42 E HN 0.050 nan 8.360 nan 0.000 0.394 43 P HA -0.091 nan 4.420 nan 0.000 0.264 43 P C -1.173 176.237 177.300 0.182 0.000 1.183 43 P CA 0.277 63.482 63.100 0.175 0.000 0.763 43 P CB 0.204 31.979 31.700 0.124 0.000 0.807 44 F N 3.358 123.256 119.950 -0.087 0.000 2.531 44 F HA 0.586 5.113 4.527 0.000 0.000 0.273 44 F C 0.163 175.935 175.800 -0.047 0.000 0.960 44 F CA 0.636 58.642 58.000 0.009 0.000 1.207 44 F CB 0.314 39.391 39.000 0.128 0.000 1.012 44 F HN 0.376 nan 8.300 nan 0.000 0.738 45 A N -0.356 122.402 122.820 -0.103 0.000 2.601 45 A HA 0.677 4.997 4.320 0.001 0.000 0.291 45 A C -1.139 176.310 177.584 -0.225 0.000 1.075 45 A CA 0.085 51.995 52.037 -0.211 0.000 0.671 45 A CB 0.664 19.535 19.000 -0.215 0.000 1.277 45 A HN 0.563 nan 8.150 nan 0.000 0.417 46 S N -0.853 114.695 115.700 -0.253 0.000 2.588 46 S HA 0.971 5.441 4.470 0.001 0.000 0.269 46 S C -0.246 174.184 174.600 -0.282 0.000 1.157 46 S CA 0.035 58.015 58.200 -0.367 0.000 0.824 46 S CB 1.103 63.954 63.200 -0.581 0.000 1.126 46 S HN 2.727 nan 8.310 nan 0.000 0.464 47 G N 0.355 108.976 108.800 -0.299 0.000 2.342 47 G HA2 0.544 4.504 3.960 0.001 0.000 0.297 47 G HA3 0.544 4.504 3.960 0.001 0.000 0.297 47 G C -2.383 172.418 174.900 -0.166 0.000 1.313 47 G CA -0.912 44.073 45.100 -0.192 0.000 0.830 47 G HN 0.727 nan 8.290 nan 0.000 0.506 48 K N 0.483 120.817 120.400 -0.109 0.000 2.371 48 K HA 0.603 4.923 4.320 0.001 0.000 0.251 48 K C 0.116 176.674 176.600 -0.070 0.000 0.934 48 K CA -0.639 55.599 56.287 -0.082 0.000 0.798 48 K CB 2.053 34.520 32.500 -0.055 0.000 1.204 48 K HN 0.821 nan 8.250 nan 0.000 0.427 49 T N -0.614 113.895 114.554 -0.076 0.000 2.932 49 T HA 0.050 4.400 4.350 0.001 0.000 0.312 49 T C 0.819 175.496 174.700 -0.039 0.000 1.071 49 T CA -0.625 61.432 62.100 -0.071 0.000 1.128 49 T CB 0.769 69.576 68.868 -0.101 0.000 0.984 49 T HN 0.577 nan 8.240 nan 0.000 0.549 50 S N 1.793 117.482 115.700 -0.018 0.000 2.632 50 S HA 0.224 4.694 4.470 0.001 0.000 0.267 50 S C 1.185 175.782 174.600 -0.004 0.000 1.193 50 S CA -0.841 57.358 58.200 -0.002 0.000 1.003 50 S CB 0.350 63.565 63.200 0.024 0.000 1.073 50 S HN 0.732 nan 8.310 nan 0.000 0.553 51 E N 0.866 121.067 120.200 0.001 0.000 2.265 51 E HA -0.084 4.267 4.350 0.001 0.000 0.196 51 E C 1.909 178.511 176.600 0.003 0.000 0.996 51 E CA 1.407 57.808 56.400 0.002 0.000 0.832 51 E CB -0.507 29.194 29.700 0.002 0.000 0.756 51 E HN 0.759 nan 8.360 nan 0.000 0.491 52 S N -1.127 114.577 115.700 0.008 0.000 2.577 52 S HA 0.289 4.760 4.470 0.001 0.000 0.219 52 S C 1.460 176.058 174.600 -0.004 0.000 0.962 52 S CA 0.427 58.633 58.200 0.010 0.000 0.921 52 S CB 0.389 63.605 63.200 0.026 0.000 0.789 52 S HN 0.255 nan 8.310 nan 0.000 0.497 53 G N 0.737 109.524 108.800 -0.022 0.000 2.155 53 G HA2 -0.248 3.712 3.960 0.001 0.000 0.257 53 G HA3 -0.248 3.712 3.960 0.001 0.000 0.257 53 G C -0.261 174.596 174.900 -0.071 0.000 0.983 53 G CA 0.371 45.435 45.100 -0.059 0.000 0.676 53 G HN 0.637 nan 8.290 nan 0.000 0.528 54 E N -1.048 119.129 120.200 -0.039 0.000 2.222 54 E HA 0.730 5.080 4.350 0.001 0.000 0.267 54 E C -0.832 175.706 176.600 -0.103 0.000 0.963 54 E CA -1.088 55.257 56.400 -0.092 0.000 0.837 54 E CB 2.162 31.861 29.700 -0.000 0.000 1.183 54 E HN 0.211 nan 8.360 nan 0.000 0.403 55 L N 2.232 123.302 121.223 -0.256 0.000 2.446 55 L HA 0.350 4.690 4.340 0.001 0.000 0.268 55 L C -1.612 175.077 176.870 -0.302 0.000 0.975 55 L CA -0.202 54.532 54.840 -0.177 0.000 0.848 55 L CB 0.735 42.704 42.059 -0.150 0.000 1.225 55 L HN 0.555 nan 8.230 nan 0.000 0.410 56 H N 2.553 121.580 119.070 -0.071 0.000 2.693 56 H HA 0.761 5.317 4.556 0.001 0.000 0.348 56 H C 0.821 176.102 175.328 -0.078 0.000 1.222 56 H CA -0.326 55.680 56.048 -0.070 0.000 1.270 56 H CB 1.449 31.177 29.762 -0.056 0.000 1.798 56 H HN 0.731 nan 8.280 nan 0.000 0.592 57 G N 0.212 109.051 108.800 0.065 0.000 2.249 57 G HA2 -0.280 3.680 3.960 0.001 0.000 0.273 57 G HA3 -0.280 3.680 3.960 0.001 0.000 0.273 57 G C 0.675 175.538 174.900 -0.061 0.000 1.036 57 G CA 0.704 45.800 45.100 -0.008 0.000 0.824 57 G HN 0.508 nan 8.290 nan 0.000 0.504 58 L N -1.386 119.784 121.223 -0.089 0.000 2.109 58 L HA 0.214 4.554 4.340 0.001 0.000 0.207 58 L C 1.716 178.495 176.870 -0.152 0.000 1.086 58 L CA 1.815 56.582 54.840 -0.122 0.000 0.760 58 L CB 0.070 42.057 42.059 -0.119 0.000 0.910 58 L HN 0.496 nan 8.230 nan 0.000 0.437 59 T N -2.192 112.284 114.554 -0.131 0.000 2.671 59 T HA 0.405 4.756 4.350 0.001 0.000 0.300 59 T C -0.922 173.749 174.700 -0.048 0.000 1.238 59 T CA -0.193 61.841 62.100 -0.110 0.000 1.020 59 T CB 1.656 70.521 68.868 -0.005 0.000 1.503 59 T HN 0.146 nan 8.240 nan 0.000 0.497 60 T N -0.877 113.692 114.554 0.025 0.000 2.930 60 T HA 0.556 4.907 4.350 0.001 0.000 0.290 60 T C 0.856 175.643 174.700 0.145 0.000 1.052 60 T CA -0.666 61.468 62.100 0.057 0.000 1.017 60 T CB 1.645 70.540 68.868 0.044 0.000 1.137 60 T HN 0.642 nan 8.240 nan 0.000 0.511 61 E N 0.101 120.382 120.200 0.135 0.000 2.110 61 E HA -0.182 4.168 4.350 0.001 0.000 0.193 61 E C 1.732 178.443 176.600 0.185 0.000 0.988 61 E CA 1.238 57.748 56.400 0.184 0.000 0.804 61 E CB -0.026 29.753 29.700 0.131 0.000 0.745 61 E HN 0.777 nan 8.360 nan 0.000 0.458 62 E N 1.105 121.387 120.200 0.138 0.000 2.072 62 E HA -0.217 4.134 4.350 0.001 0.000 0.191 62 E C 1.995 178.691 176.600 0.161 0.000 0.985 62 E CA 1.317 57.789 56.400 0.121 0.000 0.801 62 E CB 0.017 29.767 29.700 0.084 0.000 0.750 62 E HN 0.223 nan 8.360 nan 0.000 0.452 63 Q N -1.108 118.812 119.800 0.200 0.000 2.187 63 Q HA -0.074 4.267 4.340 0.001 0.000 0.199 63 Q C 0.100 176.391 176.000 0.485 0.000 0.957 63 Q CA 0.289 56.260 55.803 0.279 0.000 0.857 63 Q CB -0.066 28.790 28.738 0.197 0.000 0.929 63 Q HN 0.253 nan 8.270 nan 0.000 0.453 64 F N 3.552 123.657 119.950 0.259 0.000 2.661 64 F HA 0.177 4.704 4.527 0.000 0.000 0.356 64 F C -0.112 175.762 175.800 0.124 0.000 1.244 64 F CA -1.207 56.910 58.000 0.194 0.000 1.290 64 F CB -0.408 38.639 39.000 0.079 0.000 1.677 64 F HN -0.083 nan 8.300 nan 0.000 0.649 65 V N 0.567 120.529 119.914 0.081 0.000 3.214 65 V HA 0.358 4.478 4.120 0.001 0.000 0.306 65 V C 0.498 176.509 176.094 -0.140 0.000 1.078 65 V CA -1.206 61.078 62.300 -0.026 0.000 1.077 65 V CB 0.576 32.421 31.823 0.038 0.000 1.121 65 V HN 0.424 nan 8.190 nan 0.000 0.468 66 E N 0.819 120.953 120.200 -0.110 0.000 2.467 66 E HA 0.456 4.807 4.350 0.001 0.000 0.264 66 E C 0.368 176.898 176.600 -0.116 0.000 1.020 66 E CA 0.982 57.314 56.400 -0.113 0.000 0.945 66 E CB 0.425 30.085 29.700 -0.067 0.000 0.942 66 E HN 1.248 nan 8.360 nan 0.000 0.449 67 G N 1.081 109.803 108.800 -0.130 0.000 2.359 67 G HA2 0.177 4.137 3.960 0.001 0.000 0.293 67 G HA3 0.177 4.137 3.960 0.001 0.000 0.293 67 G C -1.398 173.326 174.900 -0.293 0.000 1.300 67 G CA -1.091 43.851 45.100 -0.264 0.000 0.888 67 G HN 0.385 nan 8.290 nan 0.000 0.541 68 I N 0.776 121.106 120.570 -0.401 0.000 2.336 68 I HA 0.494 4.665 4.170 0.001 0.000 0.292 68 I C -0.821 175.077 176.117 -0.366 0.000 0.991 68 I CA -0.651 60.490 61.300 -0.265 0.000 1.227 68 I CB 1.292 39.207 38.000 -0.142 0.000 1.366 68 I HN 0.404 nan 8.210 nan 0.000 0.466 69 Y N 4.765 124.848 120.300 -0.363 0.000 2.509 69 Y HA 0.518 5.068 4.550 0.001 0.000 0.341 69 Y C -0.055 175.688 175.900 -0.261 0.000 1.038 69 Y CA -0.907 56.998 58.100 -0.325 0.000 1.089 69 Y CB 1.862 39.928 38.460 -0.656 0.000 1.241 69 Y HN 0.382 nan 8.280 nan 0.000 0.468 70 K N 1.642 122.020 120.400 -0.038 0.000 2.426 70 K HA 0.703 5.023 4.320 0.001 0.000 0.254 70 K C -2.062 174.579 176.600 0.069 0.000 0.936 70 K CA -0.588 55.586 56.287 -0.189 0.000 0.801 70 K CB 1.351 33.286 32.500 -0.941 0.000 1.139 70 K HN 0.530 nan 8.250 nan 0.000 0.424 71 V N 4.060 124.051 119.914 0.128 0.000 2.347 71 V HA 0.263 4.384 4.120 0.001 0.000 0.280 71 V C -0.448 175.673 176.094 0.046 0.000 1.021 71 V CA -0.639 61.735 62.300 0.123 0.000 0.847 71 V CB 1.205 33.118 31.823 0.150 0.000 0.990 71 V HN 0.812 nan 8.190 nan 0.000 0.444 72 E N 5.269 125.502 120.200 0.054 0.000 2.145 72 E HA 0.549 4.899 4.350 0.001 0.000 0.270 72 E C -1.190 175.405 176.600 -0.008 0.000 0.906 72 E CA -0.601 55.781 56.400 -0.029 0.000 0.761 72 E CB 1.287 30.963 29.700 -0.040 0.000 1.116 72 E HN 0.655 nan 8.360 nan 0.000 0.408 73 I N 3.857 124.398 120.570 -0.048 0.000 2.330 73 I HA 0.110 4.281 4.170 0.001 0.000 0.289 73 I C -0.128 175.988 176.117 -0.001 0.000 1.001 73 I CA -0.738 60.533 61.300 -0.047 0.000 1.193 73 I CB 1.328 39.258 38.000 -0.117 0.000 1.345 73 I HN 0.506 nan 8.210 nan 0.000 0.461 74 D N 5.037 125.459 120.400 0.036 0.000 2.541 74 D HA -0.019 4.621 4.640 0.001 0.000 0.231 74 D C 1.517 177.857 176.300 0.066 0.000 1.163 74 D CA 0.017 54.065 54.000 0.079 0.000 1.077 74 D CB 0.523 41.378 40.800 0.093 0.000 1.110 74 D HN 0.677 nan 8.370 nan 0.000 0.499 75 T N -0.129 114.472 114.554 0.078 0.000 2.904 75 T HA -0.153 4.197 4.350 0.001 0.000 0.267 75 T C 1.808 176.653 174.700 0.241 0.000 1.059 75 T CA 0.774 62.938 62.100 0.107 0.000 1.137 75 T CB -0.017 68.949 68.868 0.164 0.000 0.879 75 T HN 0.270 nan 8.240 nan 0.000 0.467 76 K N 1.094 121.629 120.400 0.225 0.000 2.032 76 K HA -0.097 4.224 4.320 0.001 0.000 0.209 76 K C 2.589 179.297 176.600 0.180 0.000 1.048 76 K CA 1.614 58.035 56.287 0.223 0.000 0.927 76 K CB -0.367 32.212 32.500 0.132 0.000 0.712 76 K HN 0.342 nan 8.250 nan 0.000 0.441 77 S N -0.014 115.760 115.700 0.124 0.000 2.382 77 S HA -0.179 4.291 4.470 0.001 0.000 0.228 77 S C 1.575 176.210 174.600 0.058 0.000 1.027 77 S CA 1.278 59.528 58.200 0.083 0.000 0.991 77 S CB -0.464 62.778 63.200 0.071 0.000 0.823 77 S HN 0.416 nan 8.310 nan 0.000 0.469 78 Y N 0.807 121.050 120.300 -0.094 0.000 2.114 78 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 78 Y C 1.853 177.599 175.900 -0.256 0.000 1.143 78 Y CA 1.370 59.320 58.100 -0.250 0.000 1.135 78 Y CB -0.560 37.627 38.460 -0.454 0.000 0.980 78 Y HN 0.287 nan 8.280 nan 0.000 0.499 79 W N 0.780 122.098 121.300 0.030 0.000 2.418 79 W HA -0.090 4.570 4.660 -0.000 0.000 0.292 79 W C 2.364 178.841 176.519 -0.069 0.000 1.213 79 W CA 1.033 58.351 57.345 -0.045 0.000 1.283 79 W CB -0.142 29.367 29.460 0.082 0.000 1.119 79 W HN -0.128 nan 8.180 nan 0.000 0.542 80 K N 0.210 120.710 120.400 0.168 0.000 2.097 80 K HA -0.131 4.190 4.320 0.001 0.000 0.206 80 K C 2.171 178.784 176.600 0.022 0.000 1.049 80 K CA 1.385 57.727 56.287 0.092 0.000 0.933 80 K CB -0.575 31.968 32.500 0.071 0.000 0.717 80 K HN 0.130 nan 8.250 nan 0.000 0.442 81 A N 1.132 123.925 122.820 -0.045 0.000 2.070 81 A HA -0.073 4.247 4.320 0.001 0.000 0.220 81 A C 1.843 179.369 177.584 -0.096 0.000 1.159 81 A CA 1.061 53.048 52.037 -0.083 0.000 0.656 81 A CB -0.333 18.587 19.000 -0.134 0.000 0.800 81 A HN 0.180 nan 8.150 nan 0.000 0.453 82 L N -1.456 119.706 121.223 -0.101 0.000 2.607 82 L HA 0.252 4.592 4.340 0.001 0.000 0.228 82 L C 1.462 178.355 176.870 0.038 0.000 1.123 82 L CA 0.435 55.245 54.840 -0.050 0.000 0.890 82 L CB -0.032 41.992 42.059 -0.058 0.000 1.103 82 L HN 0.525 nan 8.230 nan 0.000 0.468 83 G N 1.309 110.137 108.800 0.047 0.000 2.160 83 G HA2 -0.267 3.694 3.960 0.001 0.000 0.244 83 G HA3 -0.267 3.694 3.960 0.001 0.000 0.244 83 G C -0.018 174.933 174.900 0.085 0.000 1.022 83 G CA -0.092 45.042 45.100 0.057 0.000 0.741 83 G HN 0.307 nan 8.290 nan 0.000 0.508 84 I N 1.417 122.067 120.570 0.134 0.000 2.465 84 I HA 0.406 4.577 4.170 0.001 0.000 0.291 84 I C 0.581 176.773 176.117 0.126 0.000 1.014 84 I CA -0.760 60.620 61.300 0.134 0.000 1.093 84 I CB 2.124 40.231 38.000 0.178 0.000 1.267 84 I HN 0.243 nan 8.210 nan 0.000 0.431 85 S N 7.231 122.977 115.700 0.076 0.000 2.400 85 S HA 0.432 4.902 4.470 0.001 0.000 0.295 85 S C -2.101 172.483 174.600 -0.027 0.000 1.113 85 S CA -1.143 57.087 58.200 0.050 0.000 1.064 85 S CB 0.143 63.375 63.200 0.054 0.000 0.990 85 S HN 0.391 nan 8.310 nan 0.000 0.502 86 P HA 0.248 nan 4.420 nan 0.000 0.276 86 P C 0.233 177.331 177.300 -0.336 0.000 1.261 86 P CA -0.708 62.260 63.100 -0.221 0.000 0.800 86 P CB 0.709 32.442 31.700 0.055 0.000 1.066 87 F N 0.594 120.114 119.950 -0.716 0.000 2.188 87 F HA 0.071 4.599 4.527 0.002 0.000 0.289 87 F C 0.981 176.506 175.800 -0.459 0.000 1.082 87 F CA 0.797 58.343 58.000 -0.756 0.000 1.282 87 F CB -0.730 37.633 39.000 -1.061 0.000 1.060 87 F HN 0.286 nan 8.300 nan 0.000 0.493 88 H N 0.710 119.728 119.070 -0.087 0.000 2.562 88 H HA 0.148 4.704 4.556 0.001 0.000 0.352 88 H C 1.222 176.468 175.328 -0.136 0.000 1.125 88 H CA -0.015 55.970 56.048 -0.105 0.000 1.379 88 H CB 0.596 30.464 29.762 0.176 0.000 1.464 88 H HN 0.080 nan 8.280 nan 0.000 0.563 89 E N 1.530 121.649 120.200 -0.135 0.000 2.152 89 E HA -0.063 4.288 4.350 0.001 0.000 0.192 89 E C 0.398 176.967 176.600 -0.052 0.000 0.983 89 E CA 1.107 57.411 56.400 -0.160 0.000 0.818 89 E CB 0.151 29.671 29.700 -0.301 0.000 0.758 89 E HN 0.820 nan 8.360 nan 0.000 0.467 90 H N -3.527 115.586 119.070 0.072 0.000 2.876 90 H HA 0.611 5.167 4.556 0.000 0.000 0.284 90 H C -1.458 173.818 175.328 -0.087 0.000 1.445 90 H CA -0.777 55.274 56.048 0.005 0.000 1.141 90 H CB 0.761 30.514 29.762 -0.016 0.000 1.816 90 H HN -0.063 nan 8.280 nan 0.000 0.511 91 A N 0.942 123.770 122.820 0.012 0.000 2.331 91 A HA 0.525 4.845 4.320 0.001 0.000 0.320 91 A C -0.665 176.880 177.584 -0.064 0.000 1.138 91 A CA -0.634 51.188 52.037 -0.357 0.000 0.790 91 A CB 1.502 19.952 19.000 -0.918 0.000 1.206 91 A HN 0.607 nan 8.150 nan 0.000 0.470 92 E N 0.788 121.012 120.200 0.039 0.000 2.238 92 E HA 0.579 4.930 4.350 0.001 0.000 0.267 92 E C -1.486 175.162 176.600 0.080 0.000 0.887 92 E CA -0.752 55.675 56.400 0.045 0.000 0.769 92 E CB 2.521 32.260 29.700 0.066 0.000 1.187 92 E HN 0.370 nan 8.360 nan 0.000 0.416 93 V N 3.111 123.075 119.914 0.083 0.000 2.482 93 V HA 0.294 4.414 4.120 0.001 0.000 0.295 93 V C -0.663 175.580 176.094 0.248 0.000 1.026 93 V CA -0.793 61.603 62.300 0.160 0.000 0.856 93 V CB 1.645 33.547 31.823 0.133 0.000 1.001 93 V HN 0.395 nan 8.190 nan 0.000 0.424 94 V N 6.646 126.712 119.914 0.254 0.000 2.409 94 V HA 0.722 4.842 4.120 0.001 0.000 0.291 94 V C -0.496 175.823 176.094 0.375 0.000 1.020 94 V CA -0.484 61.966 62.300 0.251 0.000 0.848 94 V CB 1.194 33.126 31.823 0.182 0.000 0.990 94 V HN 0.811 nan 8.190 nan 0.000 0.430 95 F N 1.284 121.322 119.950 0.147 0.000 2.662 95 F HA 0.795 5.323 4.527 0.001 0.000 0.312 95 F C -0.448 175.434 175.800 0.137 0.000 1.113 95 F CA -0.988 57.090 58.000 0.129 0.000 0.951 95 F CB 1.544 40.611 39.000 0.111 0.000 1.344 95 F HN 0.205 nan 8.300 nan 0.000 0.462 96 T N 2.081 116.743 114.554 0.181 0.000 2.749 96 T HA 0.679 5.030 4.350 0.001 0.000 0.287 96 T C -0.156 174.617 174.700 0.121 0.000 0.970 96 T CA -0.283 61.847 62.100 0.050 0.000 0.980 96 T CB 1.026 69.933 68.868 0.066 0.000 0.924 96 T HN 0.907 nan 8.240 nan 0.000 0.456 97 A N 3.531 126.322 122.820 -0.050 0.000 2.347 97 A HA 0.287 4.607 4.320 0.001 0.000 0.287 97 A C 1.448 179.036 177.584 0.008 0.000 1.199 97 A CA -0.544 51.416 52.037 -0.129 0.000 0.851 97 A CB -0.013 18.603 19.000 -0.640 0.000 1.118 97 A HN 0.818 nan 8.150 nan 0.000 0.525 98 N N 2.031 120.836 118.700 0.175 0.000 2.207 98 N HA -0.146 4.594 4.740 0.001 0.000 0.182 98 N C 0.888 176.450 175.510 0.088 0.000 1.020 98 N CA 1.432 54.555 53.050 0.121 0.000 0.858 98 N CB -0.015 38.559 38.487 0.146 0.000 0.991 98 N HN 0.864 nan 8.380 nan 0.000 0.427 99 D N -0.474 120.011 120.400 0.143 0.000 2.554 99 D HA -0.189 4.451 4.640 0.001 0.000 0.178 99 D C -0.629 175.716 176.300 0.075 0.000 1.054 99 D CA 1.177 55.237 54.000 0.100 0.000 1.052 99 D CB -1.793 39.024 40.800 0.029 0.000 1.112 99 D HN 0.373 nan 8.370 nan 0.000 0.448 100 S N 0.771 116.509 115.700 0.064 0.000 2.858 100 S HA 0.457 4.927 4.470 0.001 0.000 0.328 100 S C 0.759 175.382 174.600 0.037 0.000 1.149 100 S CA 0.950 59.176 58.200 0.044 0.000 1.421 100 S CB 0.225 63.448 63.200 0.038 0.000 1.461 100 S HN 1.280 nan 8.310 nan 0.000 0.587 101 G N 3.107 111.928 108.800 0.036 0.000 2.650 101 G HA2 0.006 3.966 3.960 0.001 0.000 0.686 101 G HA3 0.006 3.966 3.960 0.001 0.000 0.686 101 G C -3.296 171.622 174.900 0.030 0.000 1.205 101 G CA -1.241 43.874 45.100 0.026 0.000 0.781 101 G HN 0.522 nan 8.290 nan 0.000 0.648 102 P HA 0.296 nan 4.420 nan 0.000 0.258 102 P C -0.035 177.267 177.300 0.002 0.000 1.187 102 P CA 0.598 63.714 63.100 0.026 0.000 0.767 102 P CB 0.197 31.907 31.700 0.018 0.000 0.770 103 R N 3.253 123.762 120.500 0.014 0.000 2.564 103 R HA 0.462 4.802 4.340 0.001 0.000 0.284 103 R C -0.460 175.808 176.300 -0.054 0.000 1.031 103 R CA -0.928 55.120 56.100 -0.087 0.000 0.904 103 R CB 2.301 32.484 30.300 -0.194 0.000 1.199 103 R HN 0.268 nan 8.270 nan 0.000 0.443 104 R N 2.412 122.839 120.500 -0.122 0.000 2.460 104 R HA 0.345 4.685 4.340 0.001 0.000 0.303 104 R C -0.988 175.229 176.300 -0.138 0.000 0.968 104 R CA -0.691 55.397 56.100 -0.020 0.000 0.889 104 R CB 1.185 31.478 30.300 -0.011 0.000 1.123 104 R HN 0.521 nan 8.270 nan 0.000 0.455 105 Y N 0.257 120.563 120.300 0.009 0.000 2.331 105 Y HA 0.295 4.846 4.550 0.001 0.000 0.338 105 Y C 0.454 176.285 175.900 -0.114 0.000 0.992 105 Y CA -0.369 57.702 58.100 -0.048 0.000 1.121 105 Y CB 2.064 40.513 38.460 -0.017 0.000 1.184 105 Y HN 0.320 nan 8.280 nan 0.000 0.469 106 T N 5.443 119.994 114.554 -0.005 0.000 2.791 106 T HA 0.476 4.827 4.350 0.001 0.000 0.288 106 T C -0.511 174.138 174.700 -0.086 0.000 0.999 106 T CA -0.523 61.542 62.100 -0.058 0.000 0.952 106 T CB 0.347 69.179 68.868 -0.060 0.000 0.938 106 T HN 0.262 nan 8.240 nan 0.000 0.444 107 I N 3.470 123.972 120.570 -0.112 0.000 2.312 107 I HA 0.575 4.745 4.170 0.001 0.000 0.290 107 I C 0.395 176.457 176.117 -0.092 0.000 1.008 107 I CA -0.889 60.337 61.300 -0.123 0.000 1.226 107 I CB 0.615 38.529 38.000 -0.144 0.000 1.371 107 I HN 0.640 nan 8.210 nan 0.000 0.468 108 A N 5.639 128.419 122.820 -0.067 0.000 2.337 108 A HA 0.926 5.247 4.320 0.001 0.000 0.329 108 A C -0.421 177.146 177.584 -0.028 0.000 1.146 108 A CA -0.518 51.488 52.037 -0.052 0.000 0.800 108 A CB 1.500 20.478 19.000 -0.038 0.000 1.220 108 A HN 0.797 nan 8.150 nan 0.000 0.472 109 A N 1.482 124.282 122.820 -0.033 0.000 2.393 109 A HA 0.674 4.995 4.320 0.001 0.000 0.306 109 A C -1.361 176.230 177.584 0.010 0.000 1.050 109 A CA -0.422 51.614 52.037 -0.003 0.000 0.724 109 A CB 1.174 20.141 19.000 -0.055 0.000 1.248 109 A HN 1.488 nan 8.150 nan 0.000 0.424 110 L N 3.240 124.506 121.223 0.072 0.000 2.305 110 L HA 0.690 5.030 4.340 0.001 0.000 0.284 110 L C -1.155 175.816 176.870 0.168 0.000 1.013 110 L CA -0.292 54.602 54.840 0.089 0.000 0.819 110 L CB 0.923 43.034 42.059 0.087 0.000 1.227 110 L HN 0.614 nan 8.230 nan 0.000 0.417 111 L N 4.218 125.558 121.223 0.195 0.000 2.317 111 L HA 0.727 5.068 4.340 0.001 0.000 0.281 111 L C 0.023 177.237 176.870 0.574 0.000 1.024 111 L CA -0.372 54.697 54.840 0.381 0.000 0.810 111 L CB 1.710 43.970 42.059 0.336 0.000 1.240 111 L HN 0.602 nan 8.230 nan 0.000 0.427 112 S N 1.473 117.464 115.700 0.485 0.000 2.595 112 S HA 0.440 4.911 4.470 0.001 0.000 0.281 112 S C -2.095 172.393 174.600 -0.187 0.000 1.117 112 S CA -0.913 57.392 58.200 0.175 0.000 0.873 112 S CB 2.453 65.722 63.200 0.115 0.000 1.108 112 S HN 0.346 nan 8.310 nan 0.000 0.477 113 P HA -0.069 nan 4.420 nan 0.000 0.216 113 P C 0.071 177.226 177.300 -0.242 0.000 1.153 113 P CA 1.456 64.079 63.100 -0.795 0.000 0.858 113 P CB 0.060 31.453 31.700 -0.512 0.000 0.789 114 Y N -2.062 118.182 120.300 -0.093 0.000 2.636 114 Y HA 0.462 5.013 4.550 0.001 0.000 0.260 114 Y C 0.722 176.693 175.900 0.117 0.000 1.177 114 Y CA -0.121 57.975 58.100 -0.006 0.000 1.209 114 Y CB 0.500 38.864 38.460 -0.160 0.000 1.166 114 Y HN -0.164 nan 8.280 nan 0.000 0.531 115 S N 0.084 115.967 115.700 0.307 0.000 2.547 115 S HA 0.674 5.145 4.470 0.001 0.000 0.270 115 S C -1.930 172.806 174.600 0.227 0.000 1.150 115 S CA -0.507 57.817 58.200 0.207 0.000 0.850 115 S CB 0.937 64.189 63.200 0.088 0.000 1.118 115 S HN 0.186 nan 8.310 nan 0.000 0.461 116 Y N -0.494 119.829 120.300 0.039 0.000 2.592 116 Y HA 0.833 5.383 4.550 0.000 0.000 0.334 116 Y C -1.048 174.855 175.900 0.004 0.000 1.136 116 Y CA -0.875 57.236 58.100 0.020 0.000 1.042 116 Y CB 0.956 39.399 38.460 -0.028 0.000 1.325 116 Y HN 0.473 nan 8.280 nan 0.000 0.457 117 S N 1.225 117.058 115.700 0.222 0.000 2.542 117 S HA 0.772 5.243 4.470 0.001 0.000 0.293 117 S C -1.124 173.584 174.600 0.180 0.000 1.089 117 S CA -0.780 57.494 58.200 0.123 0.000 0.961 117 S CB 2.006 65.244 63.200 0.063 0.000 1.062 117 S HN 0.875 nan 8.310 nan 0.000 0.483 118 T N 0.898 115.535 114.554 0.139 0.000 2.912 118 T HA 0.722 5.072 4.350 0.001 0.000 0.299 118 T C -1.081 173.649 174.700 0.050 0.000 1.052 118 T CA -0.284 61.876 62.100 0.099 0.000 0.996 118 T CB 1.826 70.769 68.868 0.124 0.000 1.070 118 T HN 0.587 nan 8.240 nan 0.000 0.465 119 T N 1.729 116.293 114.554 0.016 0.000 2.896 119 T HA 0.795 5.146 4.350 0.001 0.000 0.297 119 T C -1.519 173.163 174.700 -0.031 0.000 1.108 119 T CA -0.311 61.789 62.100 -0.000 0.000 1.004 119 T CB 1.368 70.236 68.868 0.000 0.000 1.159 119 T HN 0.979 nan 8.240 nan 0.000 0.499 120 A N 2.254 125.051 122.820 -0.038 0.000 2.355 120 A HA 0.765 5.086 4.320 0.001 0.000 0.317 120 A C -1.090 176.463 177.584 -0.052 0.000 1.094 120 A CA -0.555 51.443 52.037 -0.066 0.000 0.764 120 A CB 1.455 20.403 19.000 -0.087 0.000 1.230 120 A HN 0.727 nan 8.150 nan 0.000 0.448 121 V N 3.162 123.038 119.914 -0.063 0.000 2.350 121 V HA 0.391 4.512 4.120 0.001 0.000 0.285 121 V C -0.501 175.532 176.094 -0.100 0.000 1.014 121 V CA -0.471 61.791 62.300 -0.064 0.000 0.831 121 V CB 1.235 33.027 31.823 -0.051 0.000 1.000 121 V HN 0.619 nan 8.190 nan 0.000 0.433 122 V N 5.044 124.879 119.914 -0.131 0.000 2.334 122 V HA 0.657 4.778 4.120 0.001 0.000 0.281 122 V C 0.435 176.423 176.094 -0.176 0.000 1.016 122 V CA -0.184 61.971 62.300 -0.241 0.000 0.832 122 V CB 1.513 33.149 31.823 -0.313 0.000 0.999 122 V HN 1.013 nan 8.190 nan 0.000 0.439 123 T N 0.000 114.456 114.554 -0.164 0.000 3.816 123 T HA 0.000 4.350 4.350 0.001 0.000 0.228 123 T CA 0.000 62.039 62.100 -0.102 0.000 1.349 123 T CB 0.000 68.829 68.868 -0.066 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658