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 1qab_1_C 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 0.000 175.023 174.990 0.056 0.000 1.270 10 C CA 0.000 59.045 59.018 0.045 0.000 1.963 10 C CB 0.000 27.766 27.740 0.043 0.000 2.134 11 P HA 0.263 nan 4.420 nan 0.000 0.193 11 P C 0.036 177.355 177.300 0.031 0.000 1.168 11 P CA 0.128 63.271 63.100 0.072 0.000 0.844 11 P CB -0.071 31.686 31.700 0.095 0.000 0.699 12 L N -0.153 121.016 121.223 -0.091 0.000 2.467 12 L HA 0.238 4.578 4.340 0.000 0.000 0.270 12 L C 0.391 177.221 176.870 -0.068 0.000 1.205 12 L CA 0.841 55.612 54.840 -0.115 0.000 0.828 12 L CB -0.068 41.809 42.059 -0.303 0.000 1.101 12 L HN 0.113 nan 8.230 nan 0.000 0.479 13 M N 3.081 122.642 119.600 -0.065 0.000 2.622 13 M HA 0.460 4.940 4.480 0.000 0.000 0.276 13 M C -1.935 174.297 176.300 -0.112 0.000 1.265 13 M CA -0.659 54.576 55.300 -0.107 0.000 0.850 13 M CB 2.318 34.866 32.600 -0.087 0.000 1.720 13 M HN 0.234 nan 8.290 nan 0.000 0.465 14 V N 2.653 122.472 119.914 -0.159 0.000 2.555 14 V HA 0.347 4.467 4.120 0.000 0.000 0.283 14 V C -0.816 175.189 176.094 -0.147 0.000 1.020 14 V CA -0.733 61.488 62.300 -0.131 0.000 0.883 14 V CB 2.018 33.769 31.823 -0.121 0.000 1.030 14 V HN 0.796 nan 8.190 nan 0.000 0.448 15 K N 3.791 124.120 120.400 -0.119 0.000 2.138 15 K HA 0.866 5.186 4.320 0.000 0.000 0.263 15 K C -1.189 175.341 176.600 -0.116 0.000 0.965 15 K CA -0.439 55.781 56.287 -0.113 0.000 0.868 15 K CB 1.869 34.317 32.500 -0.086 0.000 1.083 15 K HN 0.451 nan 8.250 nan 0.000 0.443 16 V N 4.518 124.350 119.914 -0.136 0.000 2.686 16 V HA 0.530 4.650 4.120 0.000 0.000 0.306 16 V C -0.927 175.062 176.094 -0.174 0.000 1.065 16 V CA -1.009 61.182 62.300 -0.182 0.000 0.894 16 V CB 1.392 33.061 31.823 -0.257 0.000 1.004 16 V HN 0.662 nan 8.190 nan 0.000 0.424 17 L N 2.122 123.244 121.223 -0.168 0.000 2.388 17 L HA 0.647 4.987 4.340 0.000 0.000 0.264 17 L C -0.811 175.980 176.870 -0.131 0.000 0.998 17 L CA -0.582 54.186 54.840 -0.119 0.000 0.817 17 L CB 2.338 44.365 42.059 -0.053 0.000 1.338 17 L HN 0.542 nan 8.230 nan 0.000 0.414 18 D N 1.219 121.584 120.400 -0.059 0.000 2.277 18 D HA 0.353 4.993 4.640 0.000 0.000 0.249 18 D C 0.142 176.496 176.300 0.091 0.000 1.134 18 D CA -0.029 53.978 54.000 0.012 0.000 0.863 18 D CB 2.188 43.070 40.800 0.137 0.000 1.143 18 D HN 0.648 nan 8.370 nan 0.000 0.458 19 A N 3.190 126.105 122.820 0.158 0.000 2.415 19 A HA 0.240 4.560 4.320 0.000 0.000 0.248 19 A C 1.090 178.806 177.584 0.219 0.000 1.299 19 A CA -0.151 51.992 52.037 0.176 0.000 0.899 19 A CB 0.355 19.468 19.000 0.188 0.000 0.997 19 A HN 0.436 nan 8.150 nan 0.000 0.506 20 V N -1.538 118.532 119.914 0.260 0.000 3.350 20 V HA 0.095 4.215 4.120 0.000 0.000 0.246 20 V C 1.860 178.054 176.094 0.166 0.000 1.363 20 V CA 0.810 63.246 62.300 0.227 0.000 1.162 20 V CB 0.044 32.044 31.823 0.295 0.000 0.947 20 V HN 0.503 nan 8.190 nan 0.000 0.454 21 R N 0.713 121.315 120.500 0.170 0.000 2.397 21 R HA 0.393 4.733 4.340 0.000 0.000 0.241 21 R C 1.059 177.414 176.300 0.092 0.000 0.914 21 R CA 0.573 56.745 56.100 0.119 0.000 1.071 21 R CB 0.636 31.009 30.300 0.121 0.000 1.116 21 R HN 0.407 nan 8.270 nan 0.000 0.524 22 G N 2.040 110.896 108.800 0.093 0.000 2.220 22 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 22 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 22 G C -0.279 174.655 174.900 0.056 0.000 0.791 22 G CA 0.846 45.986 45.100 0.066 0.000 1.197 22 G HN 0.424 nan 8.290 nan 0.000 0.336 23 S N 1.323 117.055 115.700 0.053 0.000 2.622 23 S HA 0.782 5.253 4.470 0.000 0.000 0.275 23 S C -2.971 171.650 174.600 0.034 0.000 1.112 23 S CA -0.816 57.411 58.200 0.045 0.000 0.837 23 S CB 2.240 65.475 63.200 0.059 0.000 1.082 23 S HN 0.385 nan 8.310 nan 0.000 0.456 24 P HA 0.425 nan 4.420 nan 0.000 0.272 24 P C -0.741 176.562 177.300 0.006 0.000 1.254 24 P CA -0.312 62.787 63.100 -0.002 0.000 0.795 24 P CB 0.146 31.845 31.700 -0.002 0.000 1.022 25 A N 1.725 124.503 122.820 -0.071 0.000 2.582 25 A HA 0.366 4.686 4.320 0.000 0.000 0.336 25 A C 0.245 177.818 177.584 -0.020 0.000 1.445 25 A CA -0.623 51.335 52.037 -0.132 0.000 0.997 25 A CB -1.025 17.659 19.000 -0.527 0.000 1.148 25 A HN 0.590 nan 8.150 nan 0.000 0.514 26 I N 1.425 122.072 120.570 0.128 0.000 2.779 26 I HA 0.079 4.249 4.170 0.000 0.000 0.285 26 I C -0.019 176.168 176.117 0.116 0.000 1.134 26 I CA -0.075 61.278 61.300 0.088 0.000 1.398 26 I CB 0.294 38.337 38.000 0.073 0.000 1.404 26 I HN 0.861 nan 8.210 nan 0.000 0.587 27 N N 3.500 122.231 118.700 0.051 0.000 2.629 27 N HA -0.161 4.579 4.740 0.000 0.000 0.278 27 N C -1.457 174.093 175.510 0.067 0.000 1.102 27 N CA 0.289 53.364 53.050 0.041 0.000 0.759 27 N CB -0.697 37.813 38.487 0.039 0.000 0.911 27 N HN 0.270 nan 8.380 nan 0.000 0.553 28 V N 0.798 120.719 119.914 0.011 0.000 2.349 28 V HA 0.656 4.776 4.120 0.000 0.000 0.284 28 V C 0.614 176.681 176.094 -0.046 0.000 1.014 28 V CA -0.811 61.480 62.300 -0.016 0.000 0.826 28 V CB 1.443 33.175 31.823 -0.150 0.000 1.009 28 V HN 0.568 nan 8.190 nan 0.000 0.431 29 A N 5.262 128.075 122.820 -0.011 0.000 2.531 29 A HA 0.527 4.847 4.320 0.000 0.000 0.236 29 A C -0.169 177.385 177.584 -0.049 0.000 1.062 29 A CA 0.200 52.219 52.037 -0.031 0.000 0.760 29 A CB 0.242 19.279 19.000 0.062 0.000 0.995 29 A HN 0.883 nan 8.150 nan 0.000 0.501 30 V N 3.297 123.116 119.914 -0.158 0.000 2.623 30 V HA 0.396 4.516 4.120 0.000 0.000 0.304 30 V C -0.992 174.916 176.094 -0.310 0.000 1.054 30 V CA -0.567 61.652 62.300 -0.135 0.000 0.882 30 V CB 1.636 33.382 31.823 -0.127 0.000 1.002 30 V HN 0.967 nan 8.190 nan 0.000 0.424 31 H N 1.938 120.968 119.070 -0.066 0.000 2.589 31 H HA 0.732 5.288 4.556 0.000 0.000 0.335 31 H C -0.589 174.625 175.328 -0.191 0.000 1.019 31 H CA -0.477 55.484 56.048 -0.144 0.000 1.213 31 H CB 2.054 31.817 29.762 0.001 0.000 1.472 31 H HN 0.504 nan 8.280 nan 0.000 0.508 32 V N 4.619 124.357 119.914 -0.293 0.000 2.547 32 V HA 0.446 4.566 4.120 0.000 0.000 0.299 32 V C -0.663 175.135 176.094 -0.494 0.000 1.040 32 V CA -0.620 61.575 62.300 -0.174 0.000 0.913 32 V CB 0.882 32.737 31.823 0.053 0.000 0.992 32 V HN 0.552 nan 8.190 nan 0.000 0.449 33 F N 2.446 122.398 119.950 0.003 0.000 2.599 33 F HA 0.676 5.203 4.527 0.000 0.000 0.311 33 F C 0.012 175.804 175.800 -0.013 0.000 1.076 33 F CA -0.786 57.232 58.000 0.030 0.000 0.937 33 F CB 2.022 41.001 39.000 -0.036 0.000 1.282 33 F HN 0.290 nan 8.300 nan 0.000 0.460 34 R N 2.240 122.888 120.500 0.247 0.000 2.439 34 R HA 0.382 4.722 4.340 0.000 0.000 0.310 34 R C -0.887 175.531 176.300 0.195 0.000 0.955 34 R CA -0.923 55.167 56.100 -0.015 0.000 0.853 34 R CB 1.433 31.417 30.300 -0.526 0.000 1.171 34 R HN 0.710 nan 8.270 nan 0.000 0.449 35 K N 2.617 123.075 120.400 0.097 0.000 2.466 35 K HA 0.023 4.343 4.320 0.000 0.000 0.278 35 K C -0.378 176.047 176.600 -0.291 0.000 1.048 35 K CA 0.298 56.238 56.287 -0.578 0.000 1.088 35 K CB 0.624 32.654 32.500 -0.783 0.000 0.884 35 K HN 0.639 nan 8.250 nan 0.000 0.478 36 A N 3.632 126.299 122.820 -0.254 0.000 2.246 36 A HA 0.505 4.825 4.320 0.000 0.000 0.291 36 A C 1.314 178.806 177.584 -0.154 0.000 1.103 36 A CA 0.218 52.166 52.037 -0.148 0.000 0.844 36 A CB 0.456 19.405 19.000 -0.084 0.000 1.136 36 A HN 0.901 nan 8.150 nan 0.000 0.500 37 A N 0.122 122.881 122.820 -0.101 0.000 1.985 37 A HA -0.239 4.081 4.320 0.000 0.000 0.223 37 A C 0.951 178.472 177.584 -0.104 0.000 1.189 37 A CA 2.430 54.414 52.037 -0.088 0.000 0.658 37 A CB -1.176 17.789 19.000 -0.059 0.000 0.820 37 A HN 0.891 nan 8.150 nan 0.000 0.464 38 D N -1.705 118.628 120.400 -0.111 0.000 2.690 38 D HA 0.346 4.986 4.640 0.000 0.000 0.236 38 D C 0.105 176.306 176.300 -0.165 0.000 1.218 38 D CA 0.271 54.202 54.000 -0.115 0.000 0.829 38 D CB -0.008 40.740 40.800 -0.086 0.000 1.009 38 D HN 0.284 nan 8.370 nan 0.000 0.482 39 D N -0.468 119.797 120.400 -0.226 0.000 2.955 39 D HA -0.206 4.434 4.640 0.000 0.000 0.226 39 D C -0.755 175.308 176.300 -0.395 0.000 1.178 39 D CA 1.230 55.044 54.000 -0.310 0.000 0.808 39 D CB -1.084 39.593 40.800 -0.205 0.000 1.099 39 D HN 0.384 nan 8.370 nan 0.000 0.421 40 T N -0.447 113.889 114.554 -0.362 0.000 2.792 40 T HA 0.467 4.817 4.350 0.000 0.000 0.280 40 T C -0.268 174.256 174.700 -0.292 0.000 0.990 40 T CA -0.531 61.389 62.100 -0.300 0.000 0.960 40 T CB 0.395 69.184 68.868 -0.131 0.000 0.939 40 T HN 0.177 nan 8.240 nan 0.000 0.439 41 W N 3.425 124.693 121.300 -0.053 0.000 2.193 41 W HA 0.307 4.967 4.660 0.000 0.000 0.338 41 W C 0.923 177.476 176.519 0.056 0.000 1.310 41 W CA -0.472 56.855 57.345 -0.031 0.000 1.243 41 W CB 0.479 29.849 29.460 -0.150 0.000 1.165 41 W HN 0.438 nan 8.180 nan 0.000 0.566 42 E N 3.535 124.009 120.200 0.456 0.000 2.248 42 E HA 0.261 4.611 4.350 0.000 0.000 0.267 42 E C -2.397 174.482 176.600 0.465 0.000 0.877 42 E CA -2.169 54.445 56.400 0.357 0.000 0.759 42 E CB 1.751 31.565 29.700 0.189 0.000 1.182 42 E HN -0.061 nan 8.360 nan 0.000 0.418 43 P HA 0.010 nan 4.420 nan 0.000 0.267 43 P C -0.435 176.887 177.300 0.037 0.000 1.205 43 P CA 0.369 63.501 63.100 0.053 0.000 0.765 43 P CB 0.142 31.880 31.700 0.063 0.000 0.828 44 F N 2.954 122.755 119.950 -0.248 0.000 2.819 44 F HA 0.596 5.123 4.527 0.000 0.000 0.325 44 F C -0.125 175.589 175.800 -0.144 0.000 1.041 44 F CA 0.236 58.151 58.000 -0.142 0.000 1.184 44 F CB 0.710 39.642 39.000 -0.113 0.000 1.019 44 F HN 0.393 nan 8.300 nan 0.000 0.590 45 A N -0.214 122.457 122.820 -0.248 0.000 2.599 45 A HA 0.646 4.966 4.320 0.000 0.000 0.294 45 A C -1.225 176.192 177.584 -0.278 0.000 1.055 45 A CA -0.185 51.680 52.037 -0.285 0.000 0.683 45 A CB 0.968 19.863 19.000 -0.174 0.000 1.278 45 A HN 0.055 nan 8.150 nan 0.000 0.412 46 S N -1.171 114.364 115.700 -0.274 0.000 2.607 46 S HA 0.964 5.434 4.470 0.000 0.000 0.273 46 S C -0.278 174.157 174.600 -0.275 0.000 1.148 46 S CA 0.443 58.427 58.200 -0.360 0.000 0.833 46 S CB 1.925 64.923 63.200 -0.337 0.000 1.130 46 S HN 2.679 nan 8.310 nan 0.000 0.470 47 G N 1.564 110.184 108.800 -0.300 0.000 2.336 47 G HA2 0.378 4.338 3.960 0.000 0.000 0.300 47 G HA3 0.378 4.338 3.960 0.000 0.000 0.300 47 G C -2.441 172.357 174.900 -0.170 0.000 1.375 47 G CA -0.792 44.194 45.100 -0.189 0.000 0.885 47 G HN 0.641 nan 8.290 nan 0.000 0.599 48 K N 0.561 120.894 120.400 -0.111 0.000 2.468 48 K HA 0.624 4.944 4.320 0.000 0.000 0.252 48 K C 0.450 177.008 176.600 -0.069 0.000 0.932 48 K CA -0.524 55.713 56.287 -0.083 0.000 0.794 48 K CB 2.082 34.551 32.500 -0.052 0.000 1.241 48 K HN 0.972 nan 8.250 nan 0.000 0.428 49 T N -0.403 114.106 114.554 -0.075 0.000 2.906 49 T HA -0.014 4.336 4.350 0.000 0.000 0.329 49 T C 0.743 175.421 174.700 -0.035 0.000 1.091 49 T CA -0.325 61.732 62.100 -0.073 0.000 1.127 49 T CB 0.474 69.292 68.868 -0.084 0.000 1.035 49 T HN 0.563 nan 8.240 nan 0.000 0.547 50 S N 1.465 117.152 115.700 -0.023 0.000 2.590 50 S HA 0.348 4.818 4.470 0.000 0.000 0.282 50 S C 1.055 175.660 174.600 0.008 0.000 1.136 50 S CA -0.978 57.225 58.200 0.005 0.000 1.030 50 S CB 0.536 63.757 63.200 0.034 0.000 1.195 50 S HN 0.735 nan 8.310 nan 0.000 0.506 51 E N 1.058 121.268 120.200 0.017 0.000 2.409 51 E HA -0.039 4.311 4.350 0.000 0.000 0.198 51 E C 1.212 177.822 176.600 0.017 0.000 1.024 51 E CA 1.035 57.446 56.400 0.018 0.000 0.861 51 E CB -0.327 29.383 29.700 0.016 0.000 0.788 51 E HN 0.675 nan 8.360 nan 0.000 0.521 52 S N -1.279 114.431 115.700 0.017 0.000 2.588 52 S HA 0.389 4.859 4.470 0.000 0.000 0.245 52 S C 1.352 175.947 174.600 -0.007 0.000 1.021 52 S CA 0.305 58.513 58.200 0.014 0.000 1.006 52 S CB 0.392 63.613 63.200 0.034 0.000 0.830 52 S HN 0.223 nan 8.310 nan 0.000 0.468 53 G N 0.762 109.548 108.800 -0.023 0.000 2.270 53 G HA2 -0.321 3.639 3.960 0.000 0.000 0.268 53 G HA3 -0.321 3.639 3.960 0.000 0.000 0.268 53 G C -0.061 174.785 174.900 -0.090 0.000 0.982 53 G CA 0.849 45.913 45.100 -0.060 0.000 0.628 53 G HN 0.643 nan 8.290 nan 0.000 0.544 54 E N -0.653 119.496 120.200 -0.086 0.000 2.283 54 E HA 0.707 5.057 4.350 0.000 0.000 0.267 54 E C 0.064 176.527 176.600 -0.227 0.000 1.045 54 E CA -0.605 55.684 56.400 -0.184 0.000 0.884 54 E CB 1.632 31.204 29.700 -0.214 0.000 1.106 54 E HN 0.174 nan 8.360 nan 0.000 0.408 55 L N 3.674 124.686 121.223 -0.351 0.000 2.480 55 L HA 0.247 4.587 4.340 0.000 0.000 0.253 55 L C -0.860 175.838 176.870 -0.285 0.000 1.324 55 L CA -0.476 54.215 54.840 -0.249 0.000 0.916 55 L CB 0.000 41.957 42.059 -0.171 0.000 1.160 55 L HN 0.644 nan 8.230 nan 0.000 0.503 56 H N 1.752 120.790 119.070 -0.052 0.000 2.671 56 H HA 0.192 4.748 4.556 0.000 0.000 0.372 56 H C 0.903 176.196 175.328 -0.058 0.000 1.227 56 H CA 0.571 56.589 56.048 -0.050 0.000 1.426 56 H CB 1.120 30.858 29.762 -0.040 0.000 1.480 56 H HN 0.704 nan 8.280 nan 0.000 0.611 57 G N 1.372 110.225 108.800 0.089 0.000 2.272 57 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 57 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 57 G C 0.888 175.764 174.900 -0.040 0.000 1.067 57 G CA 0.433 45.542 45.100 0.016 0.000 0.902 57 G HN 0.563 nan 8.290 nan 0.000 0.500 58 L N -1.195 119.992 121.223 -0.060 0.000 2.095 58 L HA 0.215 4.555 4.340 0.000 0.000 0.204 58 L C 1.673 178.477 176.870 -0.110 0.000 1.080 58 L CA 1.925 56.709 54.840 -0.094 0.000 0.759 58 L CB 0.090 42.100 42.059 -0.081 0.000 0.914 58 L HN 0.559 nan 8.230 nan 0.000 0.439 59 T N -1.810 112.702 114.554 -0.070 0.000 2.821 59 T HA 0.344 4.694 4.350 0.000 0.000 0.306 59 T C -0.600 174.112 174.700 0.019 0.000 1.313 59 T CA -0.481 61.606 62.100 -0.023 0.000 1.012 59 T CB 1.681 70.659 68.868 0.184 0.000 1.298 59 T HN 0.147 nan 8.240 nan 0.000 0.502 60 T N 0.604 115.207 114.554 0.081 0.000 2.934 60 T HA 0.506 4.856 4.350 0.000 0.000 0.283 60 T C 1.093 175.906 174.700 0.188 0.000 1.005 60 T CA -0.571 61.588 62.100 0.100 0.000 1.041 60 T CB 1.314 70.230 68.868 0.080 0.000 1.042 60 T HN 0.708 nan 8.240 nan 0.000 0.505 61 E N 0.526 120.828 120.200 0.169 0.000 2.017 61 E HA -0.166 4.184 4.350 0.000 0.000 0.193 61 E C 2.026 178.760 176.600 0.222 0.000 0.997 61 E CA 1.385 57.919 56.400 0.224 0.000 0.804 61 E CB -0.168 29.625 29.700 0.155 0.000 0.757 61 E HN 0.930 nan 8.360 nan 0.000 0.448 62 E N 1.427 121.718 120.200 0.152 0.000 2.065 62 E HA -0.338 4.012 4.350 0.000 0.000 0.201 62 E C 2.176 178.878 176.600 0.169 0.000 1.016 62 E CA 2.030 58.507 56.400 0.128 0.000 0.818 62 E CB -0.114 29.641 29.700 0.091 0.000 0.749 62 E HN 0.250 nan 8.360 nan 0.000 0.453 63 Q N -0.857 119.066 119.800 0.205 0.000 2.020 63 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 63 Q C 0.180 176.440 176.000 0.432 0.000 0.982 63 Q CA 0.818 56.786 55.803 0.275 0.000 0.838 63 Q CB -0.305 28.581 28.738 0.246 0.000 0.899 63 Q HN 0.360 nan 8.270 nan 0.000 0.423 64 F N 2.907 123.024 119.950 0.278 0.000 2.447 64 F HA 0.014 4.541 4.527 0.000 0.000 0.339 64 F C -0.047 175.839 175.800 0.145 0.000 1.196 64 F CA -0.434 57.713 58.000 0.245 0.000 0.969 64 F CB -0.598 38.490 39.000 0.148 0.000 1.106 64 F HN -0.080 nan 8.300 nan 0.000 0.594 65 V N 2.868 122.827 119.914 0.074 0.000 3.406 65 V HA 0.565 4.685 4.120 0.000 0.000 0.305 65 V C -0.094 175.893 176.094 -0.178 0.000 1.136 65 V CA -1.177 61.081 62.300 -0.071 0.000 1.011 65 V CB 1.135 32.971 31.823 0.021 0.000 1.221 65 V HN 0.535 nan 8.190 nan 0.000 0.454 66 E N 0.540 120.668 120.200 -0.120 0.000 2.374 66 E HA 0.679 5.029 4.350 0.000 0.000 0.260 66 E C 0.185 176.811 176.600 0.043 0.000 1.101 66 E CA -0.089 56.254 56.400 -0.095 0.000 0.907 66 E CB 0.880 30.536 29.700 -0.073 0.000 1.014 66 E HN 1.551 nan 8.360 nan 0.000 0.427 67 G N 0.451 109.321 108.800 0.116 0.000 2.359 67 G HA2 0.099 4.060 3.960 0.000 0.000 0.314 67 G HA3 0.099 4.060 3.960 0.000 0.000 0.314 67 G C -0.951 174.090 174.900 0.236 0.000 1.364 67 G CA -1.011 44.148 45.100 0.099 0.000 0.978 67 G HN 0.466 nan 8.290 nan 0.000 0.615 68 I N 0.337 120.975 120.570 0.114 0.000 2.529 68 I HA 0.399 4.569 4.170 0.000 0.000 0.284 68 I C -0.444 175.790 176.117 0.195 0.000 1.082 68 I CA -0.219 61.179 61.300 0.164 0.000 1.406 68 I CB 0.659 38.771 38.000 0.186 0.000 1.405 68 I HN 0.350 nan 8.210 nan 0.000 0.548 69 Y N 3.939 123.989 120.300 -0.416 0.000 2.485 69 Y HA 0.464 5.014 4.550 0.000 0.000 0.345 69 Y C 0.037 175.605 175.900 -0.552 0.000 0.998 69 Y CA -1.476 56.367 58.100 -0.429 0.000 1.059 69 Y CB 1.711 39.838 38.460 -0.555 0.000 1.234 69 Y HN 0.416 nan 8.280 nan 0.000 0.461 70 K N 2.274 122.510 120.400 -0.273 0.000 2.559 70 K HA 0.611 4.931 4.320 0.000 0.000 0.249 70 K C -1.903 174.667 176.600 -0.049 0.000 0.958 70 K CA -0.440 55.658 56.287 -0.314 0.000 0.901 70 K CB 1.156 33.157 32.500 -0.831 0.000 1.124 70 K HN 0.550 nan 8.250 nan 0.000 0.437 71 V N 3.860 123.823 119.914 0.082 0.000 2.530 71 V HA 0.163 4.283 4.120 0.000 0.000 0.282 71 V C -0.128 176.002 176.094 0.061 0.000 1.048 71 V CA -0.167 62.200 62.300 0.110 0.000 0.997 71 V CB 1.240 33.159 31.823 0.160 0.000 0.987 71 V HN 0.806 nan 8.190 nan 0.000 0.477 72 E N 5.811 126.051 120.200 0.067 0.000 2.185 72 E HA 0.441 4.791 4.350 0.000 0.000 0.261 72 E C -1.162 175.451 176.600 0.022 0.000 0.879 72 E CA -0.600 55.808 56.400 0.015 0.000 0.756 72 E CB 1.191 30.888 29.700 -0.005 0.000 1.152 72 E HN 0.617 nan 8.360 nan 0.000 0.416 73 I N 3.369 123.927 120.570 -0.020 0.000 2.353 73 I HA 0.133 4.303 4.170 0.000 0.000 0.293 73 I C -0.008 176.091 176.117 -0.029 0.000 0.992 73 I CA -0.691 60.580 61.300 -0.049 0.000 1.268 73 I CB 1.252 39.176 38.000 -0.126 0.000 1.387 73 I HN 0.547 nan 8.210 nan 0.000 0.478 74 D N 4.769 125.168 120.400 -0.000 0.000 2.470 74 D HA 0.046 4.686 4.640 0.000 0.000 0.226 74 D C 1.292 177.586 176.300 -0.011 0.000 1.196 74 D CA -0.061 53.958 54.000 0.032 0.000 0.979 74 D CB 0.679 41.526 40.800 0.078 0.000 1.059 74 D HN 0.682 nan 8.370 nan 0.000 0.515 75 T N 0.197 114.728 114.554 -0.037 0.000 2.939 75 T HA -0.071 4.279 4.350 0.000 0.000 0.254 75 T C 1.806 176.557 174.700 0.085 0.000 1.041 75 T CA 0.402 62.439 62.100 -0.105 0.000 1.142 75 T CB -0.123 68.627 68.868 -0.195 0.000 0.874 75 T HN 0.235 nan 8.240 nan 0.000 0.452 76 K N 0.925 121.415 120.400 0.150 0.000 2.218 76 K HA -0.079 4.241 4.320 0.000 0.000 0.205 76 K C 2.044 178.761 176.600 0.195 0.000 1.046 76 K CA 1.504 57.915 56.287 0.206 0.000 0.933 76 K CB -0.216 32.368 32.500 0.140 0.000 0.728 76 K HN 0.377 nan 8.250 nan 0.000 0.454 77 S N -0.754 115.039 115.700 0.155 0.000 2.503 77 S HA -0.017 4.453 4.470 0.000 0.000 0.215 77 S C 1.151 175.833 174.600 0.136 0.000 1.003 77 S CA -0.166 58.109 58.200 0.126 0.000 0.910 77 S CB -0.100 63.153 63.200 0.088 0.000 0.790 77 S HN 0.418 nan 8.310 nan 0.000 0.514 78 Y N 0.940 121.259 120.300 0.031 0.000 2.163 78 Y HA -0.098 4.452 4.550 0.000 0.000 0.288 78 Y C 1.881 177.843 175.900 0.102 0.000 1.136 78 Y CA 1.401 59.489 58.100 -0.021 0.000 1.147 78 Y CB -0.328 38.020 38.460 -0.186 0.000 0.987 78 Y HN 0.286 nan 8.280 nan 0.000 0.509 79 W N 0.941 122.342 121.300 0.168 0.000 2.378 79 W HA -0.181 4.479 4.660 0.000 0.000 0.313 79 W C 2.515 179.019 176.519 -0.025 0.000 1.197 79 W CA 1.031 58.425 57.345 0.082 0.000 1.304 79 W CB -0.070 29.466 29.460 0.126 0.000 1.148 79 W HN -0.059 nan 8.180 nan 0.000 0.494 80 K N 0.005 120.555 120.400 0.250 0.000 2.032 80 K HA -0.176 4.144 4.320 0.000 0.000 0.209 80 K C 2.055 178.686 176.600 0.052 0.000 1.048 80 K CA 1.496 57.847 56.287 0.108 0.000 0.927 80 K CB -0.557 31.996 32.500 0.087 0.000 0.712 80 K HN 0.065 nan 8.250 nan 0.000 0.441 81 A N 0.809 123.645 122.820 0.026 0.000 2.178 81 A HA -0.113 4.207 4.320 0.000 0.000 0.218 81 A C 1.822 179.375 177.584 -0.051 0.000 1.157 81 A CA 0.939 52.962 52.037 -0.023 0.000 0.689 81 A CB -0.234 18.735 19.000 -0.051 0.000 0.787 81 A HN 0.121 nan 8.150 nan 0.000 0.465 82 L N -1.616 119.587 121.223 -0.033 0.000 2.209 82 L HA 0.212 4.552 4.340 0.000 0.000 0.207 82 L C 1.741 178.613 176.870 0.003 0.000 1.094 82 L CA 1.884 56.711 54.840 -0.020 0.000 0.790 82 L CB -0.795 41.315 42.059 0.085 0.000 0.932 82 L HN 0.722 nan 8.230 nan 0.000 0.447 83 G N -0.616 108.190 108.800 0.010 0.000 2.141 83 G HA2 -0.171 3.789 3.960 0.000 0.000 0.164 83 G HA3 -0.171 3.789 3.960 0.000 0.000 0.164 83 G C 0.139 175.027 174.900 -0.020 0.000 1.009 83 G CA -0.015 45.083 45.100 -0.004 0.000 0.677 83 G HN 0.222 nan 8.290 nan 0.000 0.508 84 I N 0.915 121.468 120.570 -0.027 0.000 2.545 84 I HA 0.558 4.728 4.170 0.000 0.000 0.292 84 I C 0.059 176.097 176.117 -0.131 0.000 1.040 84 I CA -0.943 60.290 61.300 -0.111 0.000 1.068 84 I CB 2.207 40.074 38.000 -0.222 0.000 1.251 84 I HN 0.091 nan 8.210 nan 0.000 0.424 85 S N 6.991 122.592 115.700 -0.165 0.000 2.457 85 S HA 0.511 4.982 4.470 0.000 0.000 0.289 85 S C -1.966 172.452 174.600 -0.303 0.000 1.163 85 S CA -1.337 56.769 58.200 -0.155 0.000 1.078 85 S CB 0.800 63.940 63.200 -0.100 0.000 0.987 85 S HN 0.376 nan 8.310 nan 0.000 0.482 86 P HA 0.256 nan 4.420 nan 0.000 0.323 86 P C 0.042 177.168 177.300 -0.291 0.000 1.319 86 P CA -0.099 62.810 63.100 -0.318 0.000 0.741 86 P CB 0.329 32.067 31.700 0.063 0.000 1.545 87 F N -2.813 116.937 119.950 -0.333 0.000 2.964 87 F HA 0.294 4.821 4.527 0.000 0.000 0.371 87 F C 0.170 175.821 175.800 -0.249 0.000 1.026 87 F CA -0.095 57.715 58.000 -0.317 0.000 1.106 87 F CB 0.135 38.942 39.000 -0.321 0.000 1.135 87 F HN 0.145 nan 8.300 nan 0.000 0.557 88 H N 0.646 119.711 119.070 -0.008 0.000 2.499 88 H HA 0.347 4.903 4.556 0.000 0.000 0.340 88 H C 0.749 176.032 175.328 -0.076 0.000 1.148 88 H CA -0.459 55.567 56.048 -0.037 0.000 1.215 88 H CB 1.445 31.319 29.762 0.186 0.000 1.529 88 H HN -0.061 nan 8.280 nan 0.000 0.510 89 E N 1.327 121.488 120.200 -0.065 0.000 2.086 89 E HA -0.028 4.322 4.350 0.000 0.000 0.190 89 E C 0.268 176.884 176.600 0.027 0.000 0.975 89 E CA 1.017 57.373 56.400 -0.074 0.000 0.813 89 E CB 0.344 29.930 29.700 -0.190 0.000 0.768 89 E HN 0.752 nan 8.360 nan 0.000 0.457 90 H N -3.253 115.835 119.070 0.030 0.000 2.950 90 H HA 0.648 5.204 4.556 0.000 0.000 0.307 90 H C -1.327 173.914 175.328 -0.145 0.000 1.403 90 H CA -0.795 55.218 56.048 -0.057 0.000 1.145 90 H CB 0.873 30.611 29.762 -0.040 0.000 1.844 90 H HN -0.028 nan 8.280 nan 0.000 0.515 91 A N 0.882 123.667 122.820 -0.057 0.000 2.312 91 A HA 0.476 4.796 4.320 0.000 0.000 0.326 91 A C -0.317 177.316 177.584 0.081 0.000 1.172 91 A CA -0.580 51.317 52.037 -0.233 0.000 0.821 91 A CB 1.365 19.970 19.000 -0.658 0.000 1.166 91 A HN 0.679 nan 8.150 nan 0.000 0.493 92 E N 0.980 121.276 120.200 0.160 0.000 2.266 92 E HA 0.601 4.951 4.350 0.000 0.000 0.268 92 E C -1.807 174.877 176.600 0.140 0.000 0.879 92 E CA -0.565 55.914 56.400 0.131 0.000 0.762 92 E CB 2.112 31.893 29.700 0.135 0.000 1.199 92 E HN 0.353 nan 8.360 nan 0.000 0.422 93 V N 4.237 124.227 119.914 0.127 0.000 2.454 93 V HA 0.179 4.299 4.120 0.000 0.000 0.267 93 V C -0.665 175.599 176.094 0.284 0.000 0.993 93 V CA -0.700 61.724 62.300 0.207 0.000 0.836 93 V CB 1.322 33.276 31.823 0.218 0.000 1.055 93 V HN 0.432 nan 8.190 nan 0.000 0.452 94 V N 6.325 126.358 119.914 0.199 0.000 2.385 94 V HA 0.609 4.730 4.120 0.000 0.000 0.269 94 V C -0.149 176.098 176.094 0.255 0.000 1.043 94 V CA -0.155 62.221 62.300 0.127 0.000 0.906 94 V CB 0.499 32.372 31.823 0.084 0.000 0.995 94 V HN 0.715 nan 8.190 nan 0.000 0.467 95 F N 1.852 121.879 119.950 0.127 0.000 2.692 95 F HA 0.836 5.363 4.527 0.000 0.000 0.320 95 F C -0.220 175.666 175.800 0.143 0.000 1.123 95 F CA -1.034 57.042 58.000 0.126 0.000 0.961 95 F CB 1.403 40.472 39.000 0.114 0.000 1.383 95 F HN 0.172 nan 8.300 nan 0.000 0.483 96 T N 1.176 115.873 114.554 0.238 0.000 2.902 96 T HA 0.799 5.149 4.350 0.000 0.000 0.283 96 T C -0.455 174.344 174.700 0.165 0.000 1.009 96 T CA -0.166 62.008 62.100 0.122 0.000 1.051 96 T CB 1.434 70.375 68.868 0.121 0.000 0.999 96 T HN 0.950 nan 8.240 nan 0.000 0.474 97 A N 1.987 124.764 122.820 -0.072 0.000 2.430 97 A HA 0.658 4.978 4.320 0.000 0.000 0.300 97 A C 0.171 177.631 177.584 -0.206 0.000 1.124 97 A CA -1.060 50.832 52.037 -0.242 0.000 0.766 97 A CB 0.565 18.974 19.000 -0.984 0.000 1.328 97 A HN 0.930 nan 8.150 nan 0.000 0.424 98 N N 0.487 119.108 118.700 -0.132 0.000 2.745 98 N HA -0.261 4.479 4.740 0.000 0.000 0.271 98 N C 0.101 175.574 175.510 -0.062 0.000 0.960 98 N CA 1.313 54.309 53.050 -0.089 0.000 0.833 98 N CB -0.281 38.060 38.487 -0.243 0.000 0.919 98 N HN 0.856 nan 8.380 nan 0.000 0.566 99 D N 0.453 120.853 120.400 0.001 0.000 2.183 99 D HA -0.045 4.596 4.640 0.000 0.000 0.205 99 D C 0.923 177.229 176.300 0.010 0.000 0.962 99 D CA 1.181 55.186 54.000 0.009 0.000 0.849 99 D CB 0.182 41.006 40.800 0.040 0.000 0.978 99 D HN 0.353 nan 8.370 nan 0.000 0.488 100 S N -0.858 114.853 115.700 0.019 0.000 2.617 100 S HA 0.602 5.072 4.470 0.000 0.000 0.237 100 S C 0.191 174.799 174.600 0.013 0.000 1.142 100 S CA -0.239 57.969 58.200 0.014 0.000 1.167 100 S CB 0.476 63.685 63.200 0.015 0.000 1.068 100 S HN 0.497 nan 8.310 nan 0.000 0.470 101 G N 1.846 110.653 108.800 0.011 0.000 3.233 101 G HA2 0.088 4.048 3.960 0.000 0.000 0.686 101 G HA3 0.088 4.048 3.960 0.000 0.000 0.686 101 G C -3.252 171.667 174.900 0.032 0.000 1.153 101 G CA -1.164 43.945 45.100 0.016 0.000 0.853 101 G HN 0.246 nan 8.290 nan 0.000 0.582 102 P HA 0.047 nan 4.420 nan 0.000 0.259 102 P C 0.159 177.523 177.300 0.107 0.000 1.155 102 P CA 0.565 63.714 63.100 0.081 0.000 0.759 102 P CB 0.306 32.053 31.700 0.078 0.000 0.753 103 R N 3.077 123.697 120.500 0.200 0.000 2.912 103 R HA 0.519 4.859 4.340 0.000 0.000 0.262 103 R C 0.019 176.458 176.300 0.232 0.000 1.057 103 R CA -0.957 55.212 56.100 0.115 0.000 0.981 103 R CB 1.641 31.904 30.300 -0.062 0.000 1.201 103 R HN 0.381 nan 8.270 nan 0.000 0.484 104 R N 1.395 121.929 120.500 0.057 0.000 2.310 104 R HA 0.322 4.662 4.340 0.000 0.000 0.316 104 R C -0.744 175.577 176.300 0.035 0.000 1.004 104 R CA -0.377 55.804 56.100 0.136 0.000 0.900 104 R CB 0.844 31.183 30.300 0.065 0.000 1.152 104 R HN 0.503 nan 8.270 nan 0.000 0.513 105 Y N 0.744 121.041 120.300 -0.005 0.000 2.326 105 Y HA 0.177 4.727 4.550 0.000 0.000 0.333 105 Y C 0.951 176.794 175.900 -0.094 0.000 1.240 105 Y CA -0.068 57.989 58.100 -0.072 0.000 1.365 105 Y CB 1.397 39.790 38.460 -0.111 0.000 1.289 105 Y HN 0.261 nan 8.280 nan 0.000 0.548 106 T N 4.576 119.135 114.554 0.009 0.000 2.985 106 T HA 0.385 4.735 4.350 0.000 0.000 0.315 106 T C -0.807 173.858 174.700 -0.059 0.000 1.001 106 T CA -0.614 61.465 62.100 -0.034 0.000 1.016 106 T CB 0.163 69.001 68.868 -0.049 0.000 0.993 106 T HN 0.272 nan 8.240 nan 0.000 0.454 107 I N 2.875 123.407 120.570 -0.063 0.000 2.321 107 I HA 0.734 4.904 4.170 0.000 0.000 0.291 107 I C 0.395 176.474 176.117 -0.063 0.000 0.998 107 I CA -0.907 60.350 61.300 -0.071 0.000 1.227 107 I CB 0.676 38.637 38.000 -0.064 0.000 1.368 107 I HN 0.614 nan 8.210 nan 0.000 0.466 108 A N 5.200 127.989 122.820 -0.051 0.000 2.380 108 A HA 0.980 5.301 4.320 0.000 0.000 0.315 108 A C -0.645 176.918 177.584 -0.035 0.000 1.101 108 A CA -0.594 51.413 52.037 -0.049 0.000 0.771 108 A CB 1.888 20.864 19.000 -0.041 0.000 1.287 108 A HN 0.902 nan 8.150 nan 0.000 0.436 109 A N 0.777 123.569 122.820 -0.048 0.000 2.437 109 A HA 0.603 4.923 4.320 0.000 0.000 0.293 109 A C -1.540 176.016 177.584 -0.047 0.000 1.038 109 A CA -0.308 51.711 52.037 -0.029 0.000 0.708 109 A CB 1.043 20.003 19.000 -0.066 0.000 1.251 109 A HN 1.601 nan 8.150 nan 0.000 0.409 110 L N 3.632 124.861 121.223 0.009 0.000 2.277 110 L HA 0.651 4.991 4.340 0.000 0.000 0.284 110 L C -1.127 175.779 176.870 0.059 0.000 1.028 110 L CA -0.232 54.615 54.840 0.012 0.000 0.835 110 L CB 0.621 42.703 42.059 0.039 0.000 1.215 110 L HN 0.612 nan 8.230 nan 0.000 0.425 111 L N 4.141 125.347 121.223 -0.028 0.000 2.292 111 L HA 0.587 4.927 4.340 0.000 0.000 0.284 111 L C 0.307 177.366 176.870 0.316 0.000 1.065 111 L CA -0.111 54.741 54.840 0.020 0.000 0.806 111 L CB 1.334 43.148 42.059 -0.408 0.000 1.175 111 L HN 0.563 nan 8.230 nan 0.000 0.431 112 S N 2.226 118.295 115.700 0.614 0.000 2.568 112 S HA 0.465 4.935 4.470 0.000 0.000 0.293 112 S C -1.921 173.202 174.600 0.872 0.000 1.089 112 S CA -1.045 57.608 58.200 0.755 0.000 0.945 112 S CB 2.338 65.784 63.200 0.410 0.000 1.077 112 S HN 0.349 nan 8.310 nan 0.000 0.485 113 P HA -0.057 nan 4.420 nan 0.000 0.215 113 P C 0.416 177.684 177.300 -0.054 0.000 1.157 113 P CA 1.457 64.192 63.100 -0.608 0.000 0.868 113 P CB 0.066 31.258 31.700 -0.847 0.000 0.788 114 Y N -1.710 118.664 120.300 0.123 0.000 2.462 114 Y HA 0.250 4.800 4.550 0.000 0.000 0.261 114 Y C 0.726 176.804 175.900 0.297 0.000 1.146 114 Y CA 0.023 58.210 58.100 0.145 0.000 1.283 114 Y CB 0.659 39.083 38.460 -0.061 0.000 1.090 114 Y HN -0.095 nan 8.280 nan 0.000 0.526 115 S N 0.084 116.090 115.700 0.510 0.000 2.652 115 S HA 0.406 4.876 4.470 0.000 0.000 0.273 115 S C -1.111 173.690 174.600 0.334 0.000 1.172 115 S CA -0.741 57.698 58.200 0.398 0.000 1.009 115 S CB -0.128 63.198 63.200 0.210 0.000 1.094 115 S HN 0.263 nan 8.310 nan 0.000 0.471 116 Y N 1.495 121.879 120.300 0.140 0.000 2.730 116 Y HA 0.924 5.474 4.550 0.000 0.000 0.325 116 Y C -0.131 175.779 175.900 0.018 0.000 1.132 116 Y CA -0.606 57.526 58.100 0.054 0.000 1.206 116 Y CB 1.026 39.472 38.460 -0.024 0.000 1.390 116 Y HN 0.910 nan 8.280 nan 0.000 0.555 117 S N -0.279 115.490 115.700 0.115 0.000 2.565 117 S HA 0.569 5.039 4.470 0.000 0.000 0.269 117 S C -1.528 173.140 174.600 0.113 0.000 1.153 117 S CA -0.397 57.809 58.200 0.010 0.000 0.835 117 S CB 1.580 64.778 63.200 -0.003 0.000 1.122 117 S HN 1.138 nan 8.310 nan 0.000 0.462 118 T N 1.838 116.433 114.554 0.067 0.000 2.949 118 T HA 0.598 4.948 4.350 0.000 0.000 0.300 118 T C -0.565 174.147 174.700 0.019 0.000 0.988 118 T CA -0.158 61.979 62.100 0.062 0.000 0.993 118 T CB 1.440 70.367 68.868 0.098 0.000 0.984 118 T HN 0.827 nan 8.240 nan 0.000 0.442 119 T N 2.860 117.413 114.554 -0.002 0.000 2.923 119 T HA 0.821 5.171 4.350 0.000 0.000 0.281 119 T C -0.863 173.810 174.700 -0.044 0.000 0.995 119 T CA -0.362 61.725 62.100 -0.020 0.000 0.985 119 T CB 0.934 69.788 68.868 -0.022 0.000 1.114 119 T HN 0.933 nan 8.240 nan 0.000 0.548 120 A N 2.016 124.800 122.820 -0.060 0.000 2.547 120 A HA 0.559 4.879 4.320 0.000 0.000 0.279 120 A C -1.039 176.482 177.584 -0.104 0.000 1.088 120 A CA -0.536 51.444 52.037 -0.095 0.000 0.796 120 A CB 0.888 19.814 19.000 -0.122 0.000 1.308 120 A HN 0.629 nan 8.150 nan 0.000 0.415 121 V N 3.378 123.228 119.914 -0.107 0.000 2.322 121 V HA 0.187 4.307 4.120 0.000 0.000 0.258 121 V C 0.195 176.184 176.094 -0.176 0.000 1.074 121 V CA -0.340 61.893 62.300 -0.112 0.000 0.909 121 V CB 0.769 32.545 31.823 -0.079 0.000 1.090 121 V HN 0.578 nan 8.190 nan 0.000 0.486 122 V N 5.348 125.132 119.914 -0.217 0.000 2.356 122 V HA 0.358 4.478 4.120 0.000 0.000 0.258 122 V C 0.811 176.767 176.094 -0.231 0.000 1.065 122 V CA 0.019 62.121 62.300 -0.330 0.000 0.935 122 V CB 0.614 32.218 31.823 -0.366 0.000 1.061 122 V HN 0.978 nan 8.190 nan 0.000 0.484 123 T N 0.000 114.431 114.554 -0.205 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.031 62.100 -0.116 0.000 1.349 123 T CB 0.000 68.823 68.868 -0.074 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658