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_A 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 0.000 174.980 174.990 -0.016 0.000 1.270 10 C CA 0.000 59.017 59.018 -0.001 0.000 1.963 10 C CB 0.000 27.756 27.740 0.027 0.000 2.134 11 P HA 0.121 nan 4.420 nan 0.000 0.227 11 P C -0.115 177.121 177.300 -0.106 0.000 1.161 11 P CA 0.683 63.742 63.100 -0.067 0.000 0.788 11 P CB 0.311 31.929 31.700 -0.136 0.000 0.822 12 L N -0.614 120.481 121.223 -0.213 0.000 2.439 12 L HA 0.586 4.929 4.340 0.005 0.000 0.270 12 L C -1.093 175.723 176.870 -0.090 0.000 0.972 12 L CA -0.651 54.089 54.840 -0.168 0.000 0.836 12 L CB 1.794 43.618 42.059 -0.391 0.000 1.255 12 L HN -0.227 nan 8.230 nan 0.000 0.404 13 M N 4.778 124.345 119.600 -0.054 0.000 2.518 13 M HA 0.705 5.188 4.480 0.005 0.000 0.300 13 M C -1.823 174.412 176.300 -0.109 0.000 1.175 13 M CA -0.667 54.574 55.300 -0.098 0.000 0.890 13 M CB 2.398 34.959 32.600 -0.065 0.000 1.710 13 M HN 0.414 nan 8.290 nan 0.000 0.453 14 V N 2.850 122.667 119.914 -0.162 0.000 2.823 14 V HA 0.612 4.735 4.120 0.005 0.000 0.312 14 V C -0.916 175.080 176.094 -0.163 0.000 1.072 14 V CA -0.846 61.375 62.300 -0.132 0.000 0.937 14 V CB 2.400 34.154 31.823 -0.115 0.000 1.013 14 V HN 0.821 nan 8.190 nan 0.000 0.430 15 K N 2.031 122.358 120.400 -0.122 0.000 2.468 15 K HA 0.840 5.163 4.320 0.005 0.000 0.252 15 K C -2.011 174.527 176.600 -0.102 0.000 0.932 15 K CA -0.466 55.752 56.287 -0.114 0.000 0.794 15 K CB 2.365 34.816 32.500 -0.081 0.000 1.241 15 K HN 0.499 nan 8.250 nan 0.000 0.428 16 V N 4.722 124.564 119.914 -0.119 0.000 2.686 16 V HA 0.518 4.641 4.120 0.005 0.000 0.306 16 V C -0.738 175.275 176.094 -0.135 0.000 1.065 16 V CA -0.933 61.284 62.300 -0.138 0.000 0.894 16 V CB 1.678 33.375 31.823 -0.210 0.000 1.004 16 V HN 0.678 nan 8.190 nan 0.000 0.424 17 L N 2.750 123.915 121.223 -0.096 0.000 2.323 17 L HA 0.699 5.042 4.340 0.005 0.000 0.265 17 L C -0.954 175.895 176.870 -0.035 0.000 1.012 17 L CA -0.540 54.268 54.840 -0.054 0.000 0.820 17 L CB 2.314 44.370 42.059 -0.004 0.000 1.334 17 L HN 0.658 nan 8.230 nan 0.000 0.427 18 D N 0.812 121.224 120.400 0.020 0.000 2.381 18 D HA 0.393 5.036 4.640 0.005 0.000 0.235 18 D C 0.339 176.759 176.300 0.200 0.000 1.068 18 D CA -0.414 53.672 54.000 0.142 0.000 0.832 18 D CB 2.220 43.111 40.800 0.153 0.000 1.101 18 D HN 0.566 nan 8.370 nan 0.000 0.515 19 A N 3.253 126.226 122.820 0.254 0.000 2.067 19 A HA 0.009 4.332 4.320 0.005 0.000 0.217 19 A C 1.948 179.651 177.584 0.198 0.000 1.156 19 A CA 0.697 52.849 52.037 0.193 0.000 0.683 19 A CB -0.017 19.089 19.000 0.178 0.000 0.808 19 A HN 0.483 nan 8.150 nan 0.000 0.455 20 V N -0.606 119.488 119.914 0.300 0.000 2.407 20 V HA -0.122 4.001 4.120 0.005 0.000 0.245 20 V C 2.464 178.674 176.094 0.194 0.000 1.041 20 V CA 2.066 64.516 62.300 0.250 0.000 1.040 20 V CB -0.548 31.480 31.823 0.342 0.000 0.671 20 V HN 0.516 nan 8.190 nan 0.000 0.455 21 R N -0.429 120.197 120.500 0.210 0.000 2.282 21 R HA 0.327 4.670 4.340 0.005 0.000 0.195 21 R C 1.346 177.709 176.300 0.105 0.000 0.909 21 R CA 0.665 56.850 56.100 0.142 0.000 1.039 21 R CB 0.494 30.879 30.300 0.142 0.000 1.015 21 R HN 0.514 nan 8.270 nan 0.000 0.513 22 G N 1.452 110.317 108.800 0.109 0.000 2.289 22 G HA2 -0.272 3.691 3.960 0.005 0.000 0.280 22 G HA3 -0.272 3.691 3.960 0.005 0.000 0.280 22 G C -0.225 174.712 174.900 0.062 0.000 1.089 22 G CA 0.447 45.593 45.100 0.077 0.000 0.939 22 G HN 0.432 nan 8.290 nan 0.000 0.499 23 S N -1.829 113.911 115.700 0.067 0.000 2.671 23 S HA 0.884 5.357 4.470 0.005 0.000 0.277 23 S C -3.192 171.425 174.600 0.029 0.000 1.165 23 S CA -1.463 56.765 58.200 0.047 0.000 0.822 23 S CB 2.753 65.984 63.200 0.053 0.000 1.150 23 S HN 0.107 nan 8.310 nan 0.000 0.479 24 P HA 0.400 nan 4.420 nan 0.000 0.269 24 P C -1.096 176.183 177.300 -0.035 0.000 1.215 24 P CA -0.156 62.931 63.100 -0.022 0.000 0.780 24 P CB 0.276 31.966 31.700 -0.017 0.000 0.898 25 A N 3.631 126.372 122.820 -0.131 0.000 2.260 25 A HA 0.546 4.869 4.320 0.005 0.000 0.312 25 A C 0.029 177.514 177.584 -0.164 0.000 1.321 25 A CA -0.579 51.300 52.037 -0.263 0.000 0.928 25 A CB -0.659 17.906 19.000 -0.726 0.000 1.158 25 A HN 0.446 nan 8.150 nan 0.000 0.542 26 I N 0.792 121.362 120.570 -0.001 0.000 2.577 26 I HA 0.459 4.632 4.170 0.005 0.000 0.305 26 I C 0.603 176.742 176.117 0.037 0.000 0.986 26 I CA -0.924 60.377 61.300 0.001 0.000 1.189 26 I CB 1.122 39.133 38.000 0.017 0.000 1.355 26 I HN 0.690 nan 8.210 nan 0.000 0.476 27 N N 1.065 119.763 118.700 -0.003 0.000 2.776 27 N HA -0.157 4.586 4.740 0.005 0.000 0.249 27 N C -0.564 174.951 175.510 0.008 0.000 1.111 27 N CA 0.924 53.977 53.050 0.005 0.000 0.711 27 N CB -0.723 37.781 38.487 0.028 0.000 1.065 27 N HN 0.615 nan 8.380 nan 0.000 0.556 28 V N -1.316 118.570 119.914 -0.046 0.000 2.407 28 V HA 0.838 4.961 4.120 0.005 0.000 0.278 28 V C 0.675 176.728 176.094 -0.068 0.000 1.037 28 V CA -0.342 61.918 62.300 -0.066 0.000 0.900 28 V CB 1.297 32.992 31.823 -0.213 0.000 0.983 28 V HN 0.300 nan 8.190 nan 0.000 0.459 29 A N 5.582 128.386 122.820 -0.026 0.000 2.440 29 A HA 0.676 4.999 4.320 0.005 0.000 0.251 29 A C -0.191 177.359 177.584 -0.058 0.000 1.089 29 A CA -0.255 51.755 52.037 -0.045 0.000 0.779 29 A CB 0.564 19.602 19.000 0.063 0.000 1.022 29 A HN 1.464 nan 8.150 nan 0.000 0.492 30 V N 3.846 123.640 119.914 -0.200 0.000 2.577 30 V HA 0.381 4.503 4.120 0.005 0.000 0.303 30 V C -0.973 174.898 176.094 -0.372 0.000 1.042 30 V CA -0.531 61.677 62.300 -0.154 0.000 0.872 30 V CB 1.635 33.382 31.823 -0.128 0.000 0.998 30 V HN 1.010 nan 8.190 nan 0.000 0.423 31 H N 2.030 121.046 119.070 -0.089 0.000 2.495 31 H HA 0.759 5.317 4.556 0.003 0.000 0.348 31 H C -0.682 174.472 175.328 -0.290 0.000 1.113 31 H CA -0.613 55.296 56.048 -0.232 0.000 1.195 31 H CB 2.126 31.750 29.762 -0.231 0.000 1.521 31 H HN 0.440 nan 8.280 nan 0.000 0.509 32 V N 4.160 123.902 119.914 -0.287 0.000 2.448 32 V HA 0.351 4.474 4.120 0.005 0.000 0.295 32 V C -0.730 175.217 176.094 -0.246 0.000 1.025 32 V CA -0.684 61.566 62.300 -0.084 0.000 0.859 32 V CB 0.587 32.522 31.823 0.187 0.000 0.988 32 V HN 0.555 nan 8.190 nan 0.000 0.431 33 F N 3.159 123.197 119.950 0.146 0.000 2.522 33 F HA 0.677 5.205 4.527 0.002 0.000 0.324 33 F C 0.346 176.236 175.800 0.151 0.000 1.077 33 F CA -0.687 57.416 58.000 0.172 0.000 0.944 33 F CB 1.893 40.905 39.000 0.021 0.000 1.175 33 F HN 0.304 nan 8.300 nan 0.000 0.468 34 R N 2.711 123.387 120.500 0.293 0.000 2.393 34 R HA 0.287 4.630 4.340 0.005 0.000 0.315 34 R C -0.713 175.550 176.300 -0.062 0.000 0.952 34 R CA -0.940 55.047 56.100 -0.188 0.000 0.842 34 R CB 1.203 31.234 30.300 -0.448 0.000 1.163 34 R HN 0.701 nan 8.270 nan 0.000 0.450 35 K N 3.893 124.118 120.400 -0.292 0.000 2.366 35 K HA 0.085 4.407 4.320 0.005 0.000 0.279 35 K C -0.272 176.064 176.600 -0.440 0.000 1.098 35 K CA 0.051 55.911 56.287 -0.711 0.000 1.087 35 K CB 0.472 32.329 32.500 -1.072 0.000 0.901 35 K HN 0.631 nan 8.250 nan 0.000 0.463 36 A N 4.097 126.724 122.820 -0.321 0.000 2.325 36 A HA 0.341 4.664 4.320 0.005 0.000 0.260 36 A C 1.417 178.889 177.584 -0.188 0.000 1.133 36 A CA 0.465 52.383 52.037 -0.197 0.000 0.801 36 A CB -0.213 18.718 19.000 -0.115 0.000 1.092 36 A HN 0.966 nan 8.150 nan 0.000 0.504 37 A N -0.787 121.959 122.820 -0.123 0.000 2.024 37 A HA -0.115 4.208 4.320 0.005 0.000 0.220 37 A C 0.948 178.461 177.584 -0.119 0.000 1.164 37 A CA 2.175 54.145 52.037 -0.112 0.000 0.643 37 A CB -0.714 18.239 19.000 -0.079 0.000 0.806 37 A HN 0.748 nan 8.150 nan 0.000 0.451 38 D N -1.805 118.522 120.400 -0.122 0.000 2.460 38 D HA 0.372 5.015 4.640 0.005 0.000 0.229 38 D C 0.171 176.384 176.300 -0.145 0.000 1.170 38 D CA 0.496 54.426 54.000 -0.116 0.000 0.827 38 D CB 0.289 41.041 40.800 -0.079 0.000 0.973 38 D HN 0.504 nan 8.370 nan 0.000 0.496 39 D N -2.169 118.107 120.400 -0.207 0.000 2.225 39 D HA -0.139 4.504 4.640 0.005 0.000 0.166 39 D C -0.217 175.898 176.300 -0.308 0.000 0.952 39 D CA 0.931 54.801 54.000 -0.217 0.000 1.000 39 D CB -0.596 40.119 40.800 -0.142 0.000 1.087 39 D HN 0.167 nan 8.370 nan 0.000 0.509 40 T N -0.564 113.798 114.554 -0.320 0.000 2.943 40 T HA 0.516 4.869 4.350 0.005 0.000 0.284 40 T C -0.723 173.708 174.700 -0.448 0.000 1.015 40 T CA -0.243 61.653 62.100 -0.340 0.000 1.042 40 T CB 0.752 69.537 68.868 -0.138 0.000 1.055 40 T HN 0.099 nan 8.240 nan 0.000 0.500 41 W N 2.442 123.702 121.300 -0.067 0.000 2.342 41 W HA 0.392 5.056 4.660 0.008 0.000 0.310 41 W C 0.564 177.129 176.519 0.077 0.000 1.128 41 W CA -0.679 56.642 57.345 -0.039 0.000 1.322 41 W CB 0.231 29.595 29.460 -0.159 0.000 1.251 41 W HN 0.558 nan 8.180 nan 0.000 0.439 42 E N 4.419 124.818 120.200 0.332 0.000 2.248 42 E HA 0.289 4.642 4.350 0.005 0.000 0.272 42 E C -2.210 174.665 176.600 0.458 0.000 1.008 42 E CA -2.141 54.457 56.400 0.330 0.000 0.856 42 E CB 0.825 30.636 29.700 0.185 0.000 1.120 42 E HN -0.045 nan 8.360 nan 0.000 0.397 43 P HA -0.044 nan 4.420 nan 0.000 0.267 43 P C -0.848 176.551 177.300 0.164 0.000 1.209 43 P CA 0.492 63.683 63.100 0.151 0.000 0.763 43 P CB 0.224 31.994 31.700 0.116 0.000 0.816 44 F N 3.493 123.393 119.950 -0.083 0.000 2.667 44 F HA 0.588 5.118 4.527 0.005 0.000 0.288 44 F C -0.065 175.725 175.800 -0.017 0.000 1.086 44 F CA 0.268 58.278 58.000 0.015 0.000 1.297 44 F CB 0.609 39.682 39.000 0.122 0.000 1.059 44 F HN 0.350 nan 8.300 nan 0.000 0.624 45 A N -0.172 122.666 122.820 0.029 0.000 2.608 45 A HA 0.675 4.998 4.320 0.005 0.000 0.292 45 A C -1.222 176.287 177.584 -0.125 0.000 1.066 45 A CA -0.287 51.694 52.037 -0.093 0.000 0.676 45 A CB 1.112 20.080 19.000 -0.054 0.000 1.277 45 A HN 0.070 nan 8.150 nan 0.000 0.413 46 S N -1.266 114.335 115.700 -0.165 0.000 2.556 46 S HA 0.911 5.384 4.470 0.005 0.000 0.271 46 S C -0.281 174.187 174.600 -0.220 0.000 1.135 46 S CA 0.265 58.303 58.200 -0.269 0.000 0.858 46 S CB 1.919 64.978 63.200 -0.236 0.000 1.114 46 S HN 2.437 nan 8.310 nan 0.000 0.468 47 G N 1.751 110.389 108.800 -0.269 0.000 2.441 47 G HA2 0.546 4.509 3.960 0.005 0.000 0.294 47 G HA3 0.546 4.509 3.960 0.005 0.000 0.294 47 G C -2.293 172.502 174.900 -0.175 0.000 1.393 47 G CA -0.630 44.364 45.100 -0.177 0.000 0.796 47 G HN 0.643 nan 8.290 nan 0.000 0.494 48 K N 0.031 120.360 120.400 -0.118 0.000 2.375 48 K HA 0.672 4.995 4.320 0.005 0.000 0.249 48 K C 0.208 176.756 176.600 -0.088 0.000 0.942 48 K CA -0.584 55.645 56.287 -0.098 0.000 0.806 48 K CB 1.950 34.411 32.500 -0.065 0.000 1.227 48 K HN 0.809 nan 8.250 nan 0.000 0.430 49 T N -0.496 114.001 114.554 -0.094 0.000 2.930 49 T HA 0.133 4.486 4.350 0.005 0.000 0.306 49 T C 0.587 175.251 174.700 -0.061 0.000 1.045 49 T CA -0.729 61.313 62.100 -0.096 0.000 1.134 49 T CB 0.785 69.580 68.868 -0.121 0.000 0.961 49 T HN 0.540 nan 8.240 nan 0.000 0.545 50 S N 1.261 116.931 115.700 -0.049 0.000 2.655 50 S HA 0.244 4.717 4.470 0.005 0.000 0.265 50 S C 1.088 175.680 174.600 -0.014 0.000 1.240 50 S CA -0.679 57.511 58.200 -0.017 0.000 0.986 50 S CB 0.576 63.784 63.200 0.015 0.000 0.985 50 S HN 0.738 nan 8.310 nan 0.000 0.562 51 E N 0.530 120.729 120.200 -0.002 0.000 2.284 51 E HA -0.110 4.242 4.350 0.005 0.000 0.200 51 E C 1.579 178.179 176.600 -0.000 0.000 1.008 51 E CA 1.368 57.768 56.400 0.001 0.000 0.829 51 E CB -0.246 29.457 29.700 0.005 0.000 0.744 51 E HN 0.622 nan 8.360 nan 0.000 0.491 52 S N -1.746 113.955 115.700 0.001 0.000 2.572 52 S HA 0.268 4.741 4.470 0.005 0.000 0.228 52 S C 1.085 175.670 174.600 -0.024 0.000 0.963 52 S CA 0.612 58.811 58.200 -0.001 0.000 0.939 52 S CB -0.035 63.177 63.200 0.019 0.000 0.804 52 S HN 0.394 nan 8.310 nan 0.000 0.480 53 G N 0.940 109.712 108.800 -0.046 0.000 2.136 53 G HA2 -0.203 3.760 3.960 0.005 0.000 0.242 53 G HA3 -0.203 3.760 3.960 0.005 0.000 0.242 53 G C -0.285 174.548 174.900 -0.112 0.000 0.989 53 G CA 0.237 45.286 45.100 -0.084 0.000 0.682 53 G HN 0.586 nan 8.290 nan 0.000 0.522 54 E N -0.825 119.308 120.200 -0.112 0.000 2.207 54 E HA 0.713 5.066 4.350 0.005 0.000 0.270 54 E C -0.490 175.957 176.600 -0.255 0.000 0.927 54 E CA -0.833 55.437 56.400 -0.217 0.000 0.799 54 E CB 2.009 31.590 29.700 -0.197 0.000 1.172 54 E HN 0.139 nan 8.360 nan 0.000 0.404 55 L N 3.108 124.107 121.223 -0.374 0.000 2.415 55 L HA 0.310 4.653 4.340 0.005 0.000 0.268 55 L C -0.475 176.184 176.870 -0.351 0.000 0.984 55 L CA -0.164 54.515 54.840 -0.268 0.000 0.853 55 L CB 0.548 42.499 42.059 -0.181 0.000 1.215 55 L HN 0.748 nan 8.230 nan 0.000 0.419 56 H N 1.910 120.945 119.070 -0.058 0.000 2.729 56 H HA 0.125 4.685 4.556 0.007 0.000 0.263 56 H C 1.920 177.209 175.328 -0.065 0.000 0.961 56 H CA 0.657 56.670 56.048 -0.058 0.000 1.217 56 H CB 0.713 30.445 29.762 -0.049 0.000 1.447 56 H HN 0.750 nan 8.280 nan 0.000 0.496 57 G N 1.295 110.124 108.800 0.048 0.000 2.527 57 G HA2 -0.193 3.770 3.960 0.005 0.000 0.219 57 G HA3 -0.193 3.770 3.960 0.005 0.000 0.219 57 G C 1.273 176.148 174.900 -0.042 0.000 1.117 57 G CA 0.545 45.643 45.100 -0.003 0.000 0.759 57 G HN 0.211 nan 8.290 nan 0.000 0.556 58 L N -0.445 120.746 121.223 -0.053 0.000 2.035 58 L HA -0.126 4.217 4.340 0.005 0.000 0.243 58 L C 1.766 178.570 176.870 -0.111 0.000 1.100 58 L CA 1.863 56.658 54.840 -0.075 0.000 0.835 58 L CB -1.218 40.811 42.059 -0.049 0.000 0.927 58 L HN 0.309 nan 8.230 nan 0.000 0.442 59 T N -3.213 111.278 114.554 -0.105 0.000 2.716 59 T HA 0.475 4.828 4.350 0.005 0.000 0.286 59 T C -0.502 174.158 174.700 -0.067 0.000 1.052 59 T CA -0.375 61.661 62.100 -0.106 0.000 1.024 59 T CB 2.078 70.957 68.868 0.019 0.000 1.349 59 T HN 0.293 nan 8.240 nan 0.000 0.525 60 T N 0.001 114.557 114.554 0.004 0.000 2.742 60 T HA 0.377 4.730 4.350 0.005 0.000 0.282 60 T C 0.901 175.679 174.700 0.131 0.000 1.025 60 T CA -0.515 61.607 62.100 0.038 0.000 1.020 60 T CB 1.543 70.428 68.868 0.029 0.000 1.317 60 T HN 0.661 nan 8.240 nan 0.000 0.538 61 E N 0.635 120.907 120.200 0.120 0.000 2.170 61 E HA -0.203 4.149 4.350 0.005 0.000 0.229 61 E C -0.004 176.717 176.600 0.202 0.000 1.074 61 E CA 1.978 58.467 56.400 0.150 0.000 0.930 61 E CB 0.065 29.824 29.700 0.098 0.000 0.806 61 E HN 0.447 nan 8.360 nan 0.000 0.478 62 E N -1.748 118.558 120.200 0.177 0.000 3.364 62 E HA 0.118 4.471 4.350 0.005 0.000 0.305 62 E C -0.039 176.652 176.600 0.152 0.000 1.141 62 E CA 0.030 56.530 56.400 0.167 0.000 1.079 62 E CB 0.621 30.393 29.700 0.119 0.000 1.343 62 E HN 0.181 nan 8.360 nan 0.000 0.391 63 Q N 0.275 120.203 119.800 0.213 0.000 2.599 63 Q HA 0.359 4.702 4.340 0.005 0.000 0.229 63 Q C -0.230 176.055 176.000 0.476 0.000 0.800 63 Q CA -0.274 55.676 55.803 0.245 0.000 0.937 63 Q CB 0.409 29.243 28.738 0.160 0.000 1.285 63 Q HN 0.341 nan 8.270 nan 0.000 0.600 64 F N 3.629 123.751 119.950 0.287 0.000 2.502 64 F HA 0.322 4.850 4.527 0.003 0.000 0.371 64 F C -0.191 175.750 175.800 0.236 0.000 1.083 64 F CA -0.761 57.435 58.000 0.327 0.000 1.174 64 F CB 0.574 39.693 39.000 0.198 0.000 1.096 64 F HN 0.068 nan 8.300 nan 0.000 0.545 65 V N 2.306 122.281 119.914 0.102 0.000 3.119 65 V HA 0.484 4.607 4.120 0.005 0.000 0.311 65 V C -0.538 175.487 176.094 -0.115 0.000 1.259 65 V CA -1.193 61.117 62.300 0.016 0.000 1.067 65 V CB 1.488 33.353 31.823 0.070 0.000 1.123 65 V HN 0.702 nan 8.190 nan 0.000 0.463 66 E N 0.141 120.299 120.200 -0.070 0.000 2.383 66 E HA 0.582 4.935 4.350 0.005 0.000 0.264 66 E C -0.006 176.538 176.600 -0.092 0.000 1.050 66 E CA 0.555 56.907 56.400 -0.081 0.000 0.896 66 E CB 0.874 30.546 29.700 -0.047 0.000 0.982 66 E HN 1.483 nan 8.360 nan 0.000 0.424 67 G N 2.487 111.235 108.800 -0.087 0.000 2.324 67 G HA2 0.177 4.140 3.960 0.005 0.000 0.293 67 G HA3 0.177 4.140 3.960 0.005 0.000 0.293 67 G C -1.360 173.416 174.900 -0.207 0.000 1.297 67 G CA -0.880 44.088 45.100 -0.220 0.000 0.853 67 G HN 0.509 nan 8.290 nan 0.000 0.535 68 I N 1.156 121.531 120.570 -0.325 0.000 2.321 68 I HA 0.425 4.597 4.170 0.005 0.000 0.291 68 I C -0.734 175.205 176.117 -0.298 0.000 0.998 68 I CA -0.428 60.738 61.300 -0.223 0.000 1.227 68 I CB 0.971 38.877 38.000 -0.156 0.000 1.368 68 I HN 0.414 nan 8.210 nan 0.000 0.466 69 Y N 4.950 125.015 120.300 -0.392 0.000 2.549 69 Y HA 0.487 5.040 4.550 0.004 0.000 0.339 69 Y C 0.093 175.826 175.900 -0.278 0.000 1.053 69 Y CA -0.833 57.067 58.100 -0.334 0.000 1.105 69 Y CB 2.061 40.086 38.460 -0.724 0.000 1.258 69 Y HN 0.397 nan 8.280 nan 0.000 0.478 70 K N 1.288 121.693 120.400 0.007 0.000 2.426 70 K HA 0.682 5.005 4.320 0.005 0.000 0.254 70 K C -2.173 174.480 176.600 0.088 0.000 0.936 70 K CA -0.599 55.608 56.287 -0.134 0.000 0.801 70 K CB 1.563 33.627 32.500 -0.726 0.000 1.139 70 K HN 0.515 nan 8.250 nan 0.000 0.424 71 V N 3.904 123.904 119.914 0.144 0.000 2.357 71 V HA 0.276 4.399 4.120 0.005 0.000 0.284 71 V C -0.579 175.566 176.094 0.085 0.000 1.018 71 V CA -0.652 61.738 62.300 0.150 0.000 0.841 71 V CB 1.247 33.183 31.823 0.188 0.000 0.991 71 V HN 0.823 nan 8.190 nan 0.000 0.437 72 E N 5.224 125.483 120.200 0.097 0.000 2.129 72 E HA 0.528 4.881 4.350 0.005 0.000 0.268 72 E C -1.153 175.478 176.600 0.051 0.000 0.900 72 E CA -0.542 55.881 56.400 0.038 0.000 0.755 72 E CB 1.224 30.965 29.700 0.068 0.000 1.117 72 E HN 0.646 nan 8.360 nan 0.000 0.410 73 I N 3.880 124.451 120.570 0.003 0.000 2.330 73 I HA 0.106 4.278 4.170 0.005 0.000 0.289 73 I C -0.113 176.020 176.117 0.026 0.000 1.001 73 I CA -0.706 60.585 61.300 -0.015 0.000 1.193 73 I CB 1.279 39.226 38.000 -0.088 0.000 1.345 73 I HN 0.519 nan 8.210 nan 0.000 0.461 74 D N 4.893 125.329 120.400 0.059 0.000 2.545 74 D HA -0.015 4.628 4.640 0.005 0.000 0.227 74 D C 1.532 177.877 176.300 0.076 0.000 1.150 74 D CA -0.026 54.032 54.000 0.096 0.000 1.046 74 D CB 0.521 41.393 40.800 0.119 0.000 1.098 74 D HN 0.659 nan 8.370 nan 0.000 0.502 75 T N -0.226 114.377 114.554 0.082 0.000 2.867 75 T HA -0.185 4.168 4.350 0.005 0.000 0.268 75 T C 1.812 176.668 174.700 0.259 0.000 1.057 75 T CA 0.705 62.876 62.100 0.118 0.000 1.136 75 T CB -0.097 68.874 68.868 0.173 0.000 0.874 75 T HN 0.270 nan 8.240 nan 0.000 0.466 76 K N 1.297 121.837 120.400 0.235 0.000 2.009 76 K HA -0.141 4.182 4.320 0.005 0.000 0.210 76 K C 2.553 179.269 176.600 0.193 0.000 1.049 76 K CA 1.842 58.265 56.287 0.226 0.000 0.929 76 K CB -0.399 32.184 32.500 0.138 0.000 0.714 76 K HN 0.455 nan 8.250 nan 0.000 0.440 77 S N 0.041 115.825 115.700 0.139 0.000 2.399 77 S HA -0.175 4.298 4.470 0.005 0.000 0.231 77 S C 1.649 176.292 174.600 0.072 0.000 1.022 77 S CA 1.198 59.457 58.200 0.098 0.000 0.983 77 S CB -0.524 62.723 63.200 0.078 0.000 0.803 77 S HN 0.434 nan 8.310 nan 0.000 0.480 78 Y N 1.017 121.271 120.300 -0.076 0.000 2.114 78 Y HA -0.214 4.339 4.550 0.006 0.000 0.284 78 Y C 2.033 177.814 175.900 -0.198 0.000 1.143 78 Y CA 1.499 59.466 58.100 -0.223 0.000 1.135 78 Y CB -0.439 37.758 38.460 -0.439 0.000 0.980 78 Y HN 0.222 nan 8.280 nan 0.000 0.499 79 W N 1.031 122.356 121.300 0.042 0.000 2.355 79 W HA -0.170 4.485 4.660 -0.009 0.000 0.309 79 W C 2.457 178.937 176.519 -0.065 0.000 1.206 79 W CA 1.243 58.570 57.345 -0.030 0.000 1.284 79 W CB -0.229 29.289 29.460 0.096 0.000 1.145 79 W HN -0.103 nan 8.180 nan 0.000 0.502 80 K N 0.272 120.786 120.400 0.190 0.000 2.020 80 K HA -0.214 4.108 4.320 0.005 0.000 0.212 80 K C 2.203 178.818 176.600 0.026 0.000 1.050 80 K CA 1.659 58.004 56.287 0.097 0.000 0.929 80 K CB -0.990 31.557 32.500 0.078 0.000 0.714 80 K HN 0.154 nan 8.250 nan 0.000 0.443 81 A N 1.845 124.647 122.820 -0.029 0.000 2.042 81 A HA -0.181 4.142 4.320 0.005 0.000 0.222 81 A C 2.021 179.557 177.584 -0.079 0.000 1.167 81 A CA 1.205 53.203 52.037 -0.065 0.000 0.649 81 A CB -0.440 18.505 19.000 -0.092 0.000 0.809 81 A HN 0.220 nan 8.150 nan 0.000 0.457 82 L N -1.842 119.322 121.223 -0.099 0.000 2.179 82 L HA 0.153 4.496 4.340 0.005 0.000 0.208 82 L C 1.652 178.533 176.870 0.019 0.000 1.096 82 L CA 2.436 57.238 54.840 -0.063 0.000 0.779 82 L CB -0.872 41.145 42.059 -0.070 0.000 0.922 82 L HN 0.774 nan 8.230 nan 0.000 0.443 83 G N -0.693 108.136 108.800 0.049 0.000 2.183 83 G HA2 -0.135 3.828 3.960 0.005 0.000 0.168 83 G HA3 -0.135 3.828 3.960 0.005 0.000 0.168 83 G C 0.205 175.152 174.900 0.077 0.000 1.008 83 G CA -0.067 45.065 45.100 0.052 0.000 0.677 83 G HN 0.159 nan 8.290 nan 0.000 0.498 84 I N 1.358 122.003 120.570 0.125 0.000 2.428 84 I HA 0.575 4.748 4.170 0.005 0.000 0.296 84 I C 0.240 176.429 176.117 0.120 0.000 0.985 84 I CA -0.464 60.915 61.300 0.132 0.000 1.260 84 I CB 1.609 39.718 38.000 0.182 0.000 1.389 84 I HN 0.055 nan 8.210 nan 0.000 0.484 85 S N 7.367 123.110 115.700 0.072 0.000 2.512 85 S HA 0.434 4.907 4.470 0.005 0.000 0.291 85 S C -1.962 172.621 174.600 -0.028 0.000 1.151 85 S CA -1.189 57.041 58.200 0.049 0.000 1.120 85 S CB 0.160 63.397 63.200 0.061 0.000 1.029 85 S HN 0.445 nan 8.310 nan 0.000 0.485 86 P HA 0.205 nan 4.420 nan 0.000 0.275 86 P C 0.299 177.397 177.300 -0.336 0.000 1.266 86 P CA -0.511 62.450 63.100 -0.232 0.000 0.793 86 P CB 0.561 32.259 31.700 -0.004 0.000 1.074 87 F N -0.456 119.056 119.950 -0.731 0.000 2.453 87 F HA 0.148 4.681 4.527 0.009 0.000 0.284 87 F C 0.880 176.367 175.800 -0.522 0.000 1.065 87 F CA 0.230 57.776 58.000 -0.757 0.000 1.411 87 F CB -0.221 38.111 39.000 -1.113 0.000 1.131 87 F HN 0.252 nan 8.300 nan 0.000 0.582 88 H N 0.867 119.925 119.070 -0.020 0.000 2.582 88 H HA 0.137 4.698 4.556 0.008 0.000 0.345 88 H C 1.084 176.334 175.328 -0.131 0.000 1.104 88 H CA -0.061 55.955 56.048 -0.052 0.000 1.390 88 H CB 0.671 30.550 29.762 0.196 0.000 1.461 88 H HN 0.088 nan 8.280 nan 0.000 0.551 89 E N 1.714 121.820 120.200 -0.158 0.000 2.107 89 E HA -0.059 4.293 4.350 0.005 0.000 0.191 89 E C 0.340 176.874 176.600 -0.111 0.000 0.982 89 E CA 1.061 57.333 56.400 -0.214 0.000 0.809 89 E CB 0.221 29.672 29.700 -0.415 0.000 0.756 89 E HN 0.783 nan 8.360 nan 0.000 0.459 90 H N -3.300 115.803 119.070 0.055 0.000 2.887 90 H HA 0.605 5.163 4.556 0.003 0.000 0.290 90 H C -1.413 173.837 175.328 -0.130 0.000 1.429 90 H CA -0.878 55.162 56.048 -0.013 0.000 1.137 90 H CB 0.916 30.665 29.762 -0.022 0.000 1.824 90 H HN -0.066 nan 8.280 nan 0.000 0.520 91 A N 1.241 124.020 122.820 -0.069 0.000 2.285 91 A HA 0.328 4.651 4.320 0.005 0.000 0.310 91 A C -0.231 177.285 177.584 -0.114 0.000 1.266 91 A CA -0.611 51.161 52.037 -0.441 0.000 0.832 91 A CB 1.026 19.500 19.000 -0.878 0.000 1.163 91 A HN 0.609 nan 8.150 nan 0.000 0.499 92 E N 2.383 122.586 120.200 0.005 0.000 2.191 92 E HA 0.581 4.933 4.350 0.005 0.000 0.278 92 E C -1.588 175.059 176.600 0.078 0.000 0.972 92 E CA -0.425 56.004 56.400 0.049 0.000 0.804 92 E CB 1.569 31.314 29.700 0.076 0.000 1.110 92 E HN 0.347 nan 8.360 nan 0.000 0.394 93 V N 5.026 124.994 119.914 0.091 0.000 2.419 93 V HA 0.245 4.367 4.120 0.005 0.000 0.287 93 V C -0.595 175.657 176.094 0.264 0.000 1.017 93 V CA -0.769 61.634 62.300 0.173 0.000 0.844 93 V CB 1.606 33.529 31.823 0.168 0.000 1.011 93 V HN 0.479 nan 8.190 nan 0.000 0.429 94 V N 6.495 126.560 119.914 0.252 0.000 2.459 94 V HA 0.751 4.874 4.120 0.005 0.000 0.295 94 V C -0.473 175.839 176.094 0.363 0.000 1.029 94 V CA -0.546 61.892 62.300 0.231 0.000 0.874 94 V CB 1.249 33.162 31.823 0.150 0.000 0.985 94 V HN 0.798 nan 8.190 nan 0.000 0.438 95 F N 0.840 120.863 119.950 0.122 0.000 2.668 95 F HA 0.744 5.277 4.527 0.009 0.000 0.309 95 F C -0.438 175.420 175.800 0.095 0.000 1.117 95 F CA -1.013 57.040 58.000 0.088 0.000 0.951 95 F CB 1.252 40.277 39.000 0.041 0.000 1.323 95 F HN 0.234 nan 8.300 nan 0.000 0.451 96 T N 2.122 116.780 114.554 0.173 0.000 2.806 96 T HA 0.746 5.099 4.350 0.005 0.000 0.290 96 T C -0.164 174.618 174.700 0.136 0.000 0.966 96 T CA -0.032 62.113 62.100 0.074 0.000 1.060 96 T CB 0.981 69.891 68.868 0.071 0.000 0.927 96 T HN 0.942 nan 8.240 nan 0.000 0.485 97 A N 3.910 126.735 122.820 0.008 0.000 2.384 97 A HA 0.833 5.156 4.320 0.005 0.000 0.312 97 A C 0.134 177.701 177.584 -0.030 0.000 1.113 97 A CA -0.852 51.148 52.037 -0.062 0.000 0.779 97 A CB 0.592 19.284 19.000 -0.513 0.000 1.307 97 A HN 1.132 nan 8.150 nan 0.000 0.436 98 N N 0.152 118.907 118.700 0.092 0.000 4.931 98 N HA -0.195 4.548 4.740 0.005 0.000 0.352 98 N C -0.147 175.404 175.510 0.068 0.000 1.387 98 N CA 1.201 54.294 53.050 0.072 0.000 2.854 98 N CB -0.139 38.326 38.487 -0.036 0.000 0.453 98 N HN 0.885 nan 8.380 nan 0.000 0.814 99 D N -1.301 119.134 120.400 0.058 0.000 1.739 99 D HA -0.100 4.543 4.640 0.005 0.000 0.149 99 D C -0.861 175.464 176.300 0.042 0.000 1.439 99 D CA 0.386 54.415 54.000 0.048 0.000 0.517 99 D CB -0.824 40.021 40.800 0.075 0.000 3.279 99 D HN 0.353 nan 8.370 nan 0.000 0.191 100 S N 0.784 116.514 115.700 0.050 0.000 2.312 100 S HA 0.580 5.053 4.470 0.005 0.000 0.211 100 S C -0.079 174.544 174.600 0.039 0.000 1.315 100 S CA 0.761 58.984 58.200 0.038 0.000 1.267 100 S CB 0.030 63.249 63.200 0.032 0.000 1.072 100 S HN 0.747 nan 8.310 nan 0.000 0.490 101 G N 2.733 111.559 108.800 0.045 0.000 2.402 101 G HA2 0.086 4.048 3.960 0.005 0.000 0.666 101 G HA3 0.086 4.048 3.960 0.005 0.000 0.666 101 G C -3.682 171.263 174.900 0.074 0.000 1.402 101 G CA -1.024 44.104 45.100 0.047 0.000 0.920 101 G HN 0.187 nan 8.290 nan 0.000 0.651 102 P HA 0.581 nan 4.420 nan 0.000 0.292 102 P C 0.438 177.805 177.300 0.112 0.000 1.326 102 P CA -0.014 63.163 63.100 0.127 0.000 0.787 102 P CB 0.916 32.691 31.700 0.124 0.000 0.903 103 R N 3.427 124.017 120.500 0.149 0.000 2.602 103 R HA 0.675 5.018 4.340 0.005 0.000 0.237 103 R C 0.317 176.577 176.300 -0.067 0.000 1.219 103 R CA -0.653 55.398 56.100 -0.082 0.000 1.121 103 R CB 0.521 nan 30.300 nan 0.000 1.408 103 R HN 0.674 nan 8.270 nan 0.000 0.559 104 R N 0.339 120.650 120.500 -0.314 0.000 2.513 104 R HA 0.519 4.862 4.340 0.005 0.000 0.301 104 R C -1.771 174.303 176.300 -0.377 0.000 0.968 104 R CA -0.424 55.581 56.100 -0.159 0.000 0.872 104 R CB 1.325 31.585 30.300 -0.066 0.000 1.177 104 R HN 0.667 nan 8.270 nan 0.000 0.444 105 Y N 1.709 122.013 120.300 0.006 0.000 2.341 105 Y HA 0.354 4.904 4.550 0.001 0.000 0.338 105 Y C -0.255 175.589 175.900 -0.093 0.000 0.965 105 Y CA -0.758 57.309 58.100 -0.054 0.000 1.108 105 Y CB 2.842 41.273 38.460 -0.049 0.000 1.180 105 Y HN 0.503 nan 8.280 nan 0.000 0.458 106 T N 5.431 119.998 114.554 0.021 0.000 2.809 106 T HA 0.522 4.875 4.350 0.005 0.000 0.296 106 T C -0.454 174.216 174.700 -0.050 0.000 1.015 106 T CA -0.452 61.634 62.100 -0.024 0.000 0.954 106 T CB 0.230 69.079 68.868 -0.033 0.000 0.950 106 T HN 0.367 nan 8.240 nan 0.000 0.450 107 I N 3.197 123.725 120.570 -0.070 0.000 2.330 107 I HA 0.580 4.752 4.170 0.005 0.000 0.289 107 I C 0.386 176.465 176.117 -0.063 0.000 1.001 107 I CA -0.527 60.721 61.300 -0.086 0.000 1.193 107 I CB 1.193 39.127 38.000 -0.109 0.000 1.345 107 I HN 0.640 nan 8.210 nan 0.000 0.461 108 A N 5.494 128.287 122.820 -0.045 0.000 2.305 108 A HA 0.918 5.241 4.320 0.005 0.000 0.322 108 A C -0.410 177.166 177.584 -0.013 0.000 1.187 108 A CA -0.453 51.564 52.037 -0.034 0.000 0.825 108 A CB 1.054 20.042 19.000 -0.021 0.000 1.164 108 A HN 0.752 nan 8.150 nan 0.000 0.498 109 A N 1.578 124.386 122.820 -0.021 0.000 2.386 109 A HA 0.707 5.030 4.320 0.005 0.000 0.311 109 A C -1.212 176.385 177.584 0.021 0.000 1.068 109 A CA -0.441 51.602 52.037 0.011 0.000 0.743 109 A CB 1.199 20.182 19.000 -0.028 0.000 1.258 109 A HN 1.566 nan 8.150 nan 0.000 0.429 110 L N 3.162 124.435 121.223 0.083 0.000 2.342 110 L HA 0.637 4.979 4.340 0.005 0.000 0.276 110 L C -1.330 175.652 176.870 0.187 0.000 0.997 110 L CA -0.148 54.752 54.840 0.100 0.000 0.838 110 L CB 0.886 42.997 42.059 0.087 0.000 1.224 110 L HN 0.630 nan 8.230 nan 0.000 0.416 111 L N 3.819 125.170 121.223 0.215 0.000 2.325 111 L HA 0.746 5.089 4.340 0.005 0.000 0.279 111 L C 0.076 177.295 176.870 0.582 0.000 1.054 111 L CA -0.375 54.718 54.840 0.422 0.000 0.804 111 L CB 1.643 43.948 42.059 0.410 0.000 1.200 111 L HN 0.606 nan 8.230 nan 0.000 0.436 112 S N 1.002 117.002 115.700 0.499 0.000 2.618 112 S HA 0.432 4.905 4.470 0.005 0.000 0.277 112 S C -2.116 172.343 174.600 -0.235 0.000 1.138 112 S CA -0.918 57.378 58.200 0.160 0.000 0.844 112 S CB 2.311 65.568 63.200 0.094 0.000 1.127 112 S HN 0.335 nan 8.310 nan 0.000 0.474 113 P HA -0.094 nan 4.420 nan 0.000 0.215 113 P C 0.194 177.326 177.300 -0.280 0.000 1.157 113 P CA 1.632 64.261 63.100 -0.786 0.000 0.874 113 P CB 0.025 31.482 31.700 -0.405 0.000 0.790 114 Y N -2.082 118.127 120.300 -0.152 0.000 2.681 114 Y HA 0.439 4.986 4.550 -0.005 0.000 0.267 114 Y C 0.654 176.588 175.900 0.056 0.000 1.166 114 Y CA -0.277 57.769 58.100 -0.090 0.000 1.209 114 Y CB 0.781 39.104 38.460 -0.228 0.000 1.161 114 Y HN -0.148 nan 8.280 nan 0.000 0.534 115 S N 0.068 115.931 115.700 0.271 0.000 2.537 115 S HA 0.604 5.077 4.470 0.005 0.000 0.271 115 S C -1.817 172.929 174.600 0.243 0.000 1.148 115 S CA -0.553 57.759 58.200 0.185 0.000 0.868 115 S CB 0.960 64.207 63.200 0.079 0.000 1.115 115 S HN 0.231 nan 8.310 nan 0.000 0.461 116 Y N 0.124 120.454 120.300 0.050 0.000 2.581 116 Y HA 0.813 5.373 4.550 0.017 0.000 0.337 116 Y C -0.768 175.136 175.900 0.006 0.000 1.108 116 Y CA -0.900 57.220 58.100 0.033 0.000 1.033 116 Y CB 1.093 39.558 38.460 0.009 0.000 1.318 116 Y HN 0.577 nan 8.280 nan 0.000 0.459 117 S N 1.525 117.350 115.700 0.208 0.000 2.538 117 S HA 0.732 5.205 4.470 0.005 0.000 0.288 117 S C -1.325 173.377 174.600 0.169 0.000 1.108 117 S CA -0.473 57.788 58.200 0.102 0.000 0.971 117 S CB 1.970 65.193 63.200 0.038 0.000 1.041 117 S HN 1.048 nan 8.310 nan 0.000 0.483 118 T N 2.439 117.077 114.554 0.139 0.000 2.824 118 T HA 0.708 5.061 4.350 0.005 0.000 0.282 118 T C -1.001 173.729 174.700 0.050 0.000 0.993 118 T CA -0.166 61.998 62.100 0.106 0.000 0.967 118 T CB 1.283 70.233 68.868 0.135 0.000 0.960 118 T HN 0.799 nan 8.240 nan 0.000 0.441 119 T N 3.149 117.716 114.554 0.022 0.000 2.893 119 T HA 0.797 5.150 4.350 0.005 0.000 0.291 119 T C -0.828 173.858 174.700 -0.024 0.000 1.028 119 T CA -0.669 61.433 62.100 0.003 0.000 0.995 119 T CB 1.648 70.517 68.868 0.003 0.000 1.051 119 T HN 0.812 nan 8.240 nan 0.000 0.470 120 A N 1.811 124.612 122.820 -0.031 0.000 2.365 120 A HA 0.819 5.142 4.320 0.005 0.000 0.318 120 A C -0.922 176.639 177.584 -0.038 0.000 1.091 120 A CA -0.689 51.315 52.037 -0.055 0.000 0.763 120 A CB 1.179 20.128 19.000 -0.085 0.000 1.248 120 A HN 0.670 nan 8.150 nan 0.000 0.442 121 V N 2.561 122.448 119.914 -0.045 0.000 2.407 121 V HA 0.451 4.574 4.120 0.005 0.000 0.291 121 V C -0.526 175.513 176.094 -0.092 0.000 1.018 121 V CA -0.526 61.743 62.300 -0.052 0.000 0.842 121 V CB 1.258 33.055 31.823 -0.043 0.000 0.996 121 V HN 0.632 nan 8.190 nan 0.000 0.426 122 V N 4.569 124.413 119.914 -0.117 0.000 2.417 122 V HA 0.935 5.057 4.120 0.005 0.000 0.291 122 V C 0.523 176.503 176.094 -0.190 0.000 1.024 122 V CA 0.369 62.523 62.300 -0.242 0.000 0.861 122 V CB 1.226 32.920 31.823 -0.215 0.000 0.985 122 V HN 1.123 nan 8.190 nan 0.000 0.436 123 T N 0.000 114.423 114.554 -0.219 0.000 3.816 123 T HA 0.000 4.353 4.350 0.005 0.000 0.228 123 T CA 0.000 62.017 62.100 -0.138 0.000 1.349 123 T CB 0.000 68.819 68.868 -0.082 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658