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 2fbr_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEEFVEGIY 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 0.000 174.972 174.990 -0.030 0.000 1.270 10 C CA 0.000 59.014 59.018 -0.007 0.000 1.963 10 C CB 0.000 27.754 27.740 0.023 0.000 2.134 11 P HA 0.124 nan 4.420 nan 0.000 0.236 11 P C -0.030 177.170 177.300 -0.167 0.000 1.177 11 P CA 0.497 63.574 63.100 -0.038 0.000 0.773 11 P CB 0.474 32.208 31.700 0.056 0.000 0.878 12 L N -0.014 121.033 121.223 -0.293 0.000 2.476 12 L HA 0.600 4.940 4.340 0.000 0.000 0.269 12 L C -1.128 175.614 176.870 -0.214 0.000 0.965 12 L CA -0.754 53.902 54.840 -0.306 0.000 0.845 12 L CB 2.106 43.822 42.059 -0.571 0.000 1.259 12 L HN -0.225 nan 8.230 nan 0.000 0.403 13 M N 5.266 124.755 119.600 -0.185 0.000 2.457 13 M HA 0.648 5.128 4.480 0.000 0.000 0.300 13 M C -1.951 174.224 176.300 -0.209 0.000 1.141 13 M CA -0.599 54.549 55.300 -0.253 0.000 0.901 13 M CB 2.285 34.690 32.600 -0.326 0.000 1.687 13 M HN 0.365 nan 8.290 nan 0.000 0.449 14 V N 4.117 123.898 119.914 -0.222 0.000 2.540 14 V HA 0.571 4.692 4.120 0.000 0.000 0.302 14 V C -0.627 175.365 176.094 -0.170 0.000 1.035 14 V CA -0.795 61.407 62.300 -0.163 0.000 0.873 14 V CB 2.069 33.812 31.823 -0.133 0.000 0.992 14 V HN 0.849 nan 8.190 nan 0.000 0.428 15 K N 3.209 123.531 120.400 -0.131 0.000 2.378 15 K HA 0.836 5.156 4.320 0.000 0.000 0.252 15 K C -1.898 174.643 176.600 -0.099 0.000 0.931 15 K CA -0.506 55.715 56.287 -0.110 0.000 0.794 15 K CB 2.299 34.748 32.500 -0.085 0.000 1.181 15 K HN 0.476 nan 8.250 nan 0.000 0.425 16 V N 5.348 125.195 119.914 -0.111 0.000 2.577 16 V HA 0.474 4.594 4.120 0.000 0.000 0.303 16 V C -0.678 175.337 176.094 -0.133 0.000 1.042 16 V CA -0.872 61.344 62.300 -0.139 0.000 0.872 16 V CB 1.550 33.245 31.823 -0.212 0.000 0.998 16 V HN 0.700 nan 8.190 nan 0.000 0.423 17 L N 3.117 124.283 121.223 -0.095 0.000 2.341 17 L HA 0.669 5.009 4.340 0.000 0.000 0.267 17 L C -0.894 175.959 176.870 -0.028 0.000 1.009 17 L CA -0.586 54.223 54.840 -0.051 0.000 0.819 17 L CB 2.357 44.413 42.059 -0.005 0.000 1.323 17 L HN 0.582 nan 8.230 nan 0.000 0.425 18 D N 1.211 121.625 120.400 0.023 0.000 2.414 18 D HA 0.371 5.011 4.640 0.000 0.000 0.232 18 D C 0.343 176.759 176.300 0.193 0.000 1.070 18 D CA -0.366 53.718 54.000 0.139 0.000 0.839 18 D CB 2.229 43.118 40.800 0.149 0.000 1.079 18 D HN 0.602 nan 8.370 nan 0.000 0.521 19 A N 3.274 126.242 122.820 0.246 0.000 2.169 19 A HA 0.050 4.370 4.320 0.000 0.000 0.212 19 A C 1.829 179.526 177.584 0.188 0.000 1.153 19 A CA 0.427 52.575 52.037 0.185 0.000 0.756 19 A CB 0.170 19.270 19.000 0.166 0.000 0.813 19 A HN 0.476 nan 8.150 nan 0.000 0.471 20 V N -0.422 119.655 119.914 0.272 0.000 2.500 20 V HA -0.070 4.050 4.120 0.000 0.000 0.243 20 V C 2.369 178.571 176.094 0.180 0.000 1.039 20 V CA 1.604 64.039 62.300 0.224 0.000 1.053 20 V CB -0.499 31.508 31.823 0.306 0.000 0.695 20 V HN 0.513 nan 8.190 nan 0.000 0.463 21 R N -0.056 120.563 120.500 0.199 0.000 2.265 21 R HA 0.283 4.623 4.340 0.000 0.000 0.194 21 R C 1.310 177.672 176.300 0.104 0.000 0.931 21 R CA 0.684 56.868 56.100 0.139 0.000 1.032 21 R CB 0.412 30.798 30.300 0.144 0.000 0.980 21 R HN 0.525 nan 8.270 nan 0.000 0.497 22 G N 2.330 111.195 108.800 0.108 0.000 2.326 22 G HA2 -0.260 3.700 3.960 0.000 0.000 0.286 22 G HA3 -0.260 3.700 3.960 0.000 0.000 0.286 22 G C -0.184 174.753 174.900 0.062 0.000 1.096 22 G CA 0.471 45.617 45.100 0.077 0.000 1.003 22 G HN 0.448 nan 8.290 nan 0.000 0.503 23 S N -1.201 114.538 115.700 0.066 0.000 2.625 23 S HA 0.894 5.364 4.470 0.000 0.000 0.271 23 S C -2.949 171.669 174.600 0.030 0.000 1.161 23 S CA -1.053 57.176 58.200 0.048 0.000 0.820 23 S CB 3.118 66.353 63.200 0.060 0.000 1.137 23 S HN 0.313 nan 8.310 nan 0.000 0.470 24 P HA 0.332 nan 4.420 nan 0.000 0.269 24 P C -0.838 176.442 177.300 -0.034 0.000 1.215 24 P CA -0.104 62.984 63.100 -0.020 0.000 0.780 24 P CB 0.297 31.988 31.700 -0.015 0.000 0.898 25 A N 3.962 126.700 122.820 -0.137 0.000 2.294 25 A HA 0.477 4.797 4.320 0.000 0.000 0.316 25 A C 0.267 177.739 177.584 -0.186 0.000 1.359 25 A CA -0.632 51.225 52.037 -0.300 0.000 0.956 25 A CB -0.657 17.881 19.000 -0.770 0.000 1.155 25 A HN 0.447 nan 8.150 nan 0.000 0.544 26 I N 1.810 122.378 120.570 -0.002 0.000 2.488 26 I HA 0.248 4.418 4.170 0.000 0.000 0.299 26 I C 0.894 177.033 176.117 0.037 0.000 0.984 26 I CA -0.440 60.865 61.300 0.008 0.000 1.250 26 I CB 1.190 39.209 38.000 0.031 0.000 1.389 26 I HN 0.808 nan 8.210 nan 0.000 0.488 27 N N 2.719 121.417 118.700 -0.004 0.000 2.735 27 N HA -0.155 4.585 4.740 0.000 0.000 0.248 27 N C -0.980 174.531 175.510 0.001 0.000 1.083 27 N CA 0.340 53.390 53.050 -0.000 0.000 0.703 27 N CB -0.782 37.716 38.487 0.017 0.000 1.005 27 N HN 0.311 nan 8.380 nan 0.000 0.550 28 V N 0.458 120.339 119.914 -0.055 0.000 2.461 28 V HA 0.630 4.750 4.120 0.000 0.000 0.275 28 V C 1.123 177.163 176.094 -0.090 0.000 1.047 28 V CA -0.372 61.874 62.300 -0.089 0.000 0.955 28 V CB 1.088 32.772 31.823 -0.230 0.000 0.988 28 V HN 0.436 nan 8.190 nan 0.000 0.471 29 A N 5.427 128.210 122.820 -0.062 0.000 2.401 29 A HA 0.622 4.942 4.320 0.000 0.000 0.259 29 A C -0.351 177.153 177.584 -0.134 0.000 1.103 29 A CA -0.186 51.788 52.037 -0.105 0.000 0.789 29 A CB 0.424 19.405 19.000 -0.031 0.000 1.035 29 A HN 0.719 nan 8.150 nan 0.000 0.491 30 V N 4.564 124.325 119.914 -0.255 0.000 2.577 30 V HA 0.382 4.502 4.120 0.000 0.000 0.303 30 V C -0.661 175.201 176.094 -0.386 0.000 1.042 30 V CA -0.607 61.566 62.300 -0.212 0.000 0.872 30 V CB 1.671 33.397 31.823 -0.162 0.000 0.998 30 V HN 0.949 nan 8.190 nan 0.000 0.423 31 H N 2.996 122.011 119.070 -0.091 0.000 2.547 31 H HA 0.591 5.147 4.556 0.001 0.000 0.342 31 H C -1.018 174.152 175.328 -0.265 0.000 1.048 31 H CA -0.436 55.479 56.048 -0.221 0.000 1.204 31 H CB 2.441 32.080 29.762 -0.206 0.000 1.493 31 H HN 0.406 nan 8.280 nan 0.000 0.511 32 V N 4.926 124.699 119.914 -0.236 0.000 2.483 32 V HA 0.336 4.456 4.120 0.000 0.000 0.295 32 V C -0.407 175.537 176.094 -0.250 0.000 1.035 32 V CA -0.537 61.725 62.300 -0.062 0.000 0.896 32 V CB 0.875 32.798 31.823 0.166 0.000 0.986 32 V HN 0.461 nan 8.190 nan 0.000 0.447 33 F N 2.671 122.711 119.950 0.150 0.000 2.561 33 F HA 0.708 5.236 4.527 0.001 0.000 0.321 33 F C 0.182 176.092 175.800 0.183 0.000 1.065 33 F CA -0.829 57.290 58.000 0.198 0.000 0.934 33 F CB 1.861 40.916 39.000 0.093 0.000 1.215 33 F HN 0.312 nan 8.300 nan 0.000 0.471 34 R N 1.560 122.251 120.500 0.319 0.000 2.589 34 R HA 0.398 4.738 4.340 0.000 0.000 0.293 34 R C -0.869 175.473 176.300 0.071 0.000 0.963 34 R CA -0.895 55.132 56.100 -0.122 0.000 0.905 34 R CB 1.438 31.515 30.300 -0.373 0.000 1.144 34 R HN 0.688 nan 8.270 nan 0.000 0.459 35 K N 2.492 122.789 120.400 -0.171 0.000 2.349 35 K HA 0.248 4.568 4.320 0.000 0.000 0.288 35 K C -0.621 175.788 176.600 -0.317 0.000 1.058 35 K CA -0.140 55.868 56.287 -0.465 0.000 0.953 35 K CB 1.082 33.161 32.500 -0.702 0.000 0.997 35 K HN 0.665 nan 8.250 nan 0.000 0.477 36 A N 3.177 125.842 122.820 -0.259 0.000 2.259 36 A HA 0.444 4.764 4.320 0.000 0.000 0.278 36 A C 1.099 178.569 177.584 -0.190 0.000 1.107 36 A CA 0.303 52.236 52.037 -0.172 0.000 0.828 36 A CB 0.596 19.533 19.000 -0.105 0.000 1.111 36 A HN 0.905 nan 8.150 nan 0.000 0.498 37 A N -0.007 122.732 122.820 -0.134 0.000 2.019 37 A HA -0.115 4.206 4.320 0.000 0.000 0.219 37 A C 1.215 178.724 177.584 -0.124 0.000 1.164 37 A CA 2.019 53.984 52.037 -0.120 0.000 0.644 37 A CB -0.614 18.336 19.000 -0.083 0.000 0.805 37 A HN 0.851 nan 8.150 nan 0.000 0.449 38 D N -2.063 118.262 120.400 -0.125 0.000 2.336 38 D HA 0.143 4.783 4.640 0.000 0.000 0.228 38 D C -0.318 175.884 176.300 -0.162 0.000 1.120 38 D CA 0.448 54.377 54.000 -0.119 0.000 0.839 38 D CB -0.281 40.466 40.800 -0.088 0.000 0.932 38 D HN 0.254 nan 8.370 nan 0.000 0.509 39 D N -1.108 119.154 120.400 -0.229 0.000 3.079 39 D HA -0.170 4.470 4.640 0.000 0.000 0.214 39 D C -0.236 175.801 176.300 -0.439 0.000 1.145 39 D CA 1.280 55.080 54.000 -0.333 0.000 0.958 39 D CB -1.765 38.885 40.800 -0.249 0.000 1.117 39 D HN 0.393 nan 8.370 nan 0.000 0.416 40 T N -1.240 113.109 114.554 -0.342 0.000 2.899 40 T HA 0.423 4.773 4.350 0.000 0.000 0.284 40 T C -0.364 174.119 174.700 -0.362 0.000 1.004 40 T CA -0.337 61.578 62.100 -0.309 0.000 1.043 40 T CB 0.519 69.313 68.868 -0.124 0.000 1.013 40 T HN 0.144 nan 8.240 nan 0.000 0.518 41 W N 3.579 124.829 121.300 -0.083 0.000 2.387 41 W HA 0.345 5.005 4.660 -0.001 0.000 0.310 41 W C 0.516 177.087 176.519 0.087 0.000 1.181 41 W CA -0.856 56.452 57.345 -0.061 0.000 1.333 41 W CB 0.348 29.637 29.460 -0.285 0.000 1.286 41 W HN 0.654 nan 8.180 nan 0.000 0.455 42 E N 4.475 124.915 120.200 0.400 0.000 2.197 42 E HA 0.444 4.794 4.350 0.000 0.000 0.281 42 E C -2.491 174.393 176.600 0.472 0.000 0.995 42 E CA -2.527 54.086 56.400 0.354 0.000 0.808 42 E CB 1.255 31.072 29.700 0.195 0.000 1.093 42 E HN 0.051 nan 8.360 nan 0.000 0.394 43 P HA -0.077 nan 4.420 nan 0.000 0.264 43 P C -1.212 176.189 177.300 0.168 0.000 1.183 43 P CA 0.264 63.440 63.100 0.126 0.000 0.763 43 P CB 0.230 31.975 31.700 0.076 0.000 0.807 44 F N 2.850 122.754 119.950 -0.076 0.000 2.496 44 F HA 0.590 5.117 4.527 -0.000 0.000 0.274 44 F C -0.093 175.696 175.800 -0.018 0.000 0.924 44 F CA 0.563 58.578 58.000 0.024 0.000 1.147 44 F CB 0.440 39.532 39.000 0.153 0.000 0.969 44 F HN 0.392 nan 8.300 nan 0.000 0.749 45 A N -0.148 122.625 122.820 -0.080 0.000 2.597 45 A HA 0.666 4.987 4.320 0.000 0.000 0.292 45 A C -1.142 176.355 177.584 -0.145 0.000 1.057 45 A CA 0.094 52.032 52.037 -0.164 0.000 0.674 45 A CB 0.627 19.533 19.000 -0.157 0.000 1.278 45 A HN 0.644 nan 8.150 nan 0.000 0.416 46 S N -0.716 114.883 115.700 -0.169 0.000 2.587 46 S HA 0.963 5.433 4.470 0.000 0.000 0.269 46 S C -0.298 174.170 174.600 -0.220 0.000 1.154 46 S CA 0.025 58.073 58.200 -0.253 0.000 0.824 46 S CB 1.062 64.057 63.200 -0.342 0.000 1.118 46 S HN 2.715 nan 8.310 nan 0.000 0.462 47 G N 0.450 109.091 108.800 -0.266 0.000 2.441 47 G HA2 0.559 4.519 3.960 0.000 0.000 0.294 47 G HA3 0.559 4.519 3.960 0.000 0.000 0.294 47 G C -2.370 172.422 174.900 -0.180 0.000 1.393 47 G CA -0.914 44.079 45.100 -0.179 0.000 0.796 47 G HN 0.609 nan 8.290 nan 0.000 0.494 48 K N 0.988 121.316 120.400 -0.119 0.000 2.207 48 K HA 0.627 4.947 4.320 0.000 0.000 0.255 48 K C 0.477 177.029 176.600 -0.080 0.000 0.941 48 K CA -0.568 55.661 56.287 -0.097 0.000 0.825 48 K CB 1.607 34.069 32.500 -0.065 0.000 1.119 48 K HN 0.895 nan 8.250 nan 0.000 0.430 49 T N -1.267 113.236 114.554 -0.086 0.000 2.900 49 T HA 0.126 4.476 4.350 0.000 0.000 0.307 49 T C 0.917 175.591 174.700 -0.043 0.000 1.065 49 T CA -0.543 61.514 62.100 -0.073 0.000 1.105 49 T CB 0.523 69.331 68.868 -0.101 0.000 0.979 49 T HN 0.547 nan 8.240 nan 0.000 0.544 50 S N 1.214 116.901 115.700 -0.021 0.000 2.646 50 S HA 0.243 4.713 4.470 0.000 0.000 0.273 50 S C 1.154 175.748 174.600 -0.009 0.000 1.168 50 S CA -0.822 57.373 58.200 -0.008 0.000 1.013 50 S CB 0.397 63.605 63.200 0.014 0.000 1.098 50 S HN 0.717 nan 8.310 nan 0.000 0.544 51 E N 0.810 121.007 120.200 -0.005 0.000 2.267 51 E HA -0.088 4.262 4.350 0.000 0.000 0.197 51 E C 1.972 178.571 176.600 -0.002 0.000 0.998 51 E CA 1.411 57.809 56.400 -0.003 0.000 0.830 51 E CB -0.506 29.192 29.700 -0.003 0.000 0.751 51 E HN 0.759 nan 8.360 nan 0.000 0.491 52 S N -1.276 114.425 115.700 0.001 0.000 2.575 52 S HA 0.246 4.716 4.470 0.000 0.000 0.215 52 S C 1.526 176.123 174.600 -0.005 0.000 0.966 52 S CA 0.508 58.711 58.200 0.004 0.000 0.911 52 S CB 0.406 63.617 63.200 0.017 0.000 0.780 52 S HN 0.251 nan 8.310 nan 0.000 0.514 53 G N 0.771 109.559 108.800 -0.021 0.000 2.148 53 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 53 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 53 G C -0.261 174.605 174.900 -0.058 0.000 0.981 53 G CA 0.368 45.435 45.100 -0.055 0.000 0.670 53 G HN 0.634 nan 8.290 nan 0.000 0.528 54 E N -0.933 119.257 120.200 -0.016 0.000 2.212 54 E HA 0.694 5.045 4.350 0.000 0.000 0.270 54 E C -0.804 175.779 176.600 -0.029 0.000 0.956 54 E CA -1.078 55.302 56.400 -0.032 0.000 0.825 54 E CB 2.142 31.880 29.700 0.063 0.000 1.167 54 E HN 0.194 nan 8.360 nan 0.000 0.400 55 L N 2.646 123.779 121.223 -0.149 0.000 2.372 55 L HA 0.298 4.638 4.340 0.000 0.000 0.273 55 L C -1.269 175.462 176.870 -0.233 0.000 0.989 55 L CA -0.285 54.483 54.840 -0.121 0.000 0.841 55 L CB 0.713 42.694 42.059 -0.129 0.000 1.225 55 L HN 0.552 nan 8.230 nan 0.000 0.414 56 H N 3.094 122.122 119.070 -0.070 0.000 2.595 56 H HA 0.528 5.084 4.556 0.000 0.000 0.346 56 H C 0.661 175.946 175.328 -0.071 0.000 1.181 56 H CA -0.077 55.931 56.048 -0.067 0.000 1.242 56 H CB 1.957 31.686 29.762 -0.056 0.000 1.652 56 H HN 0.795 nan 8.280 nan 0.000 0.548 57 G N 1.140 109.975 108.800 0.058 0.000 2.198 57 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 57 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 57 G C 1.038 175.908 174.900 -0.050 0.000 1.025 57 G CA 0.614 45.714 45.100 -0.000 0.000 0.769 57 G HN 0.543 nan 8.290 nan 0.000 0.507 58 L N -1.237 119.940 121.223 -0.077 0.000 2.083 58 L HA 0.161 4.501 4.340 0.000 0.000 0.209 58 L C 1.765 178.565 176.870 -0.116 0.000 1.083 58 L CA 2.023 56.804 54.840 -0.099 0.000 0.752 58 L CB -0.044 41.957 42.059 -0.097 0.000 0.899 58 L HN 0.484 nan 8.230 nan 0.000 0.433 59 T N -2.362 112.133 114.554 -0.099 0.000 2.731 59 T HA 0.436 4.786 4.350 0.000 0.000 0.300 59 T C -0.906 173.776 174.700 -0.031 0.000 1.283 59 T CA -0.258 61.796 62.100 -0.077 0.000 1.005 59 T CB 1.660 70.548 68.868 0.034 0.000 1.420 59 T HN 0.154 nan 8.240 nan 0.000 0.503 60 T N -0.384 114.190 114.554 0.033 0.000 2.930 60 T HA 0.554 4.904 4.350 0.000 0.000 0.290 60 T C 0.854 175.638 174.700 0.140 0.000 1.052 60 T CA -0.770 61.365 62.100 0.058 0.000 1.017 60 T CB 1.681 70.576 68.868 0.046 0.000 1.137 60 T HN 0.530 nan 8.240 nan 0.000 0.511 61 E N 0.544 120.823 120.200 0.131 0.000 2.118 61 E HA -0.187 4.164 4.350 0.000 0.000 0.195 61 E C 1.743 178.456 176.600 0.189 0.000 0.992 61 E CA 1.357 57.868 56.400 0.184 0.000 0.804 61 E CB -0.025 29.755 29.700 0.133 0.000 0.741 61 E HN 0.840 nan 8.360 nan 0.000 0.458 62 E N 0.558 120.840 120.200 0.138 0.000 2.077 62 E HA -0.178 4.172 4.350 0.000 0.000 0.193 62 E C 1.786 178.483 176.600 0.162 0.000 0.989 62 E CA 1.039 57.513 56.400 0.122 0.000 0.800 62 E CB 0.157 29.906 29.700 0.082 0.000 0.746 62 E HN 0.270 nan 8.360 nan 0.000 0.452 63 E N -0.674 119.649 120.200 0.206 0.000 2.299 63 E HA -0.079 4.272 4.350 0.000 0.000 0.193 63 E C 0.061 176.959 176.600 0.498 0.000 0.998 63 E CA -0.058 56.512 56.400 0.283 0.000 0.851 63 E CB 0.143 29.954 29.700 0.186 0.000 0.795 63 E HN 0.118 nan 8.360 nan 0.000 0.492 64 F N 2.971 123.089 119.950 0.281 0.000 2.541 64 F HA 0.111 4.638 4.527 0.000 0.000 0.351 64 F C 0.144 176.039 175.800 0.158 0.000 1.209 64 F CA -1.130 57.015 58.000 0.243 0.000 1.277 64 F CB -0.146 38.935 39.000 0.135 0.000 1.632 64 F HN -0.318 nan 8.300 nan 0.000 0.619 65 V N 0.923 120.848 119.914 0.018 0.000 3.134 65 V HA 0.435 4.555 4.120 0.000 0.000 0.313 65 V C 0.388 176.370 176.094 -0.186 0.000 1.069 65 V CA -1.109 61.156 62.300 -0.058 0.000 1.048 65 V CB 0.799 32.631 31.823 0.015 0.000 1.119 65 V HN 0.460 nan 8.190 nan 0.000 0.461 66 E N 0.836 120.960 120.200 -0.127 0.000 2.442 66 E HA 0.458 4.809 4.350 0.000 0.000 0.262 66 E C 0.359 176.876 176.600 -0.139 0.000 1.004 66 E CA 1.079 57.406 56.400 -0.122 0.000 0.928 66 E CB 0.504 30.168 29.700 -0.061 0.000 0.937 66 E HN 1.228 nan 8.360 nan 0.000 0.446 67 G N 1.587 110.295 108.800 -0.153 0.000 2.343 67 G HA2 0.147 4.107 3.960 0.000 0.000 0.289 67 G HA3 0.147 4.107 3.960 0.000 0.000 0.289 67 G C -1.305 173.410 174.900 -0.308 0.000 1.295 67 G CA -1.090 43.853 45.100 -0.260 0.000 0.869 67 G HN 0.396 nan 8.290 nan 0.000 0.522 68 I N 0.742 121.083 120.570 -0.381 0.000 2.331 68 I HA 0.492 4.663 4.170 0.000 0.000 0.292 68 I C -0.750 175.127 176.117 -0.401 0.000 0.998 68 I CA -0.561 60.572 61.300 -0.278 0.000 1.267 68 I CB 1.144 39.073 38.000 -0.118 0.000 1.386 68 I HN 0.415 nan 8.210 nan 0.000 0.476 69 Y N 4.615 124.686 120.300 -0.382 0.000 2.524 69 Y HA 0.491 5.041 4.550 0.001 0.000 0.344 69 Y C -0.090 175.630 175.900 -0.300 0.000 1.012 69 Y CA -0.873 57.021 58.100 -0.342 0.000 1.068 69 Y CB 2.045 40.112 38.460 -0.655 0.000 1.249 69 Y HN 0.403 nan 8.280 nan 0.000 0.468 70 K N 1.679 122.000 120.400 -0.131 0.000 2.376 70 K HA 0.717 5.037 4.320 0.000 0.000 0.257 70 K C -2.036 174.570 176.600 0.011 0.000 0.939 70 K CA -0.617 55.492 56.287 -0.298 0.000 0.809 70 K CB 1.370 33.199 32.500 -1.119 0.000 1.121 70 K HN 0.520 nan 8.250 nan 0.000 0.425 71 V N 3.989 123.942 119.914 0.066 0.000 2.334 71 V HA 0.258 4.379 4.120 0.000 0.000 0.281 71 V C -0.516 175.589 176.094 0.017 0.000 1.016 71 V CA -0.702 61.651 62.300 0.089 0.000 0.832 71 V CB 1.119 33.017 31.823 0.124 0.000 0.999 71 V HN 0.829 nan 8.190 nan 0.000 0.439 72 E N 4.865 125.092 120.200 0.045 0.000 2.156 72 E HA 0.587 4.937 4.350 0.000 0.000 0.279 72 E C -1.124 175.471 176.600 -0.008 0.000 0.965 72 E CA -0.532 55.851 56.400 -0.029 0.000 0.789 72 E CB 1.262 30.954 29.700 -0.012 0.000 1.098 72 E HN 0.645 nan 8.360 nan 0.000 0.397 73 I N 3.675 124.212 120.570 -0.055 0.000 2.362 73 I HA 0.129 4.299 4.170 0.000 0.000 0.289 73 I C -0.288 175.826 176.117 -0.004 0.000 0.994 73 I CA -0.751 60.515 61.300 -0.057 0.000 1.158 73 I CB 1.517 39.446 38.000 -0.118 0.000 1.315 73 I HN 0.504 nan 8.210 nan 0.000 0.451 74 D N 4.742 125.159 120.400 0.029 0.000 2.608 74 D HA 0.006 4.646 4.640 0.000 0.000 0.224 74 D C 1.476 177.815 176.300 0.065 0.000 1.123 74 D CA -0.065 53.985 54.000 0.084 0.000 1.030 74 D CB 0.476 41.340 40.800 0.108 0.000 1.093 74 D HN 0.665 nan 8.370 nan 0.000 0.497 75 T N -0.675 113.922 114.554 0.072 0.000 2.951 75 T HA -0.139 4.212 4.350 0.000 0.000 0.268 75 T C 1.775 176.616 174.700 0.235 0.000 1.073 75 T CA 0.674 62.833 62.100 0.098 0.000 1.134 75 T CB 0.006 68.969 68.868 0.159 0.000 0.884 75 T HN 0.255 nan 8.240 nan 0.000 0.479 76 K N 1.176 121.708 120.400 0.220 0.000 2.026 76 K HA -0.078 4.242 4.320 0.000 0.000 0.208 76 K C 2.506 179.214 176.600 0.180 0.000 1.048 76 K CA 1.503 57.923 56.287 0.222 0.000 0.929 76 K CB -0.319 32.255 32.500 0.123 0.000 0.713 76 K HN 0.352 nan 8.250 nan 0.000 0.439 77 S N 0.193 115.969 115.700 0.127 0.000 2.382 77 S HA -0.173 4.297 4.470 0.000 0.000 0.228 77 S C 1.581 176.219 174.600 0.063 0.000 1.027 77 S CA 1.216 59.468 58.200 0.088 0.000 0.991 77 S CB -0.503 62.742 63.200 0.074 0.000 0.823 77 S HN 0.425 nan 8.310 nan 0.000 0.469 78 Y N 0.979 121.225 120.300 -0.089 0.000 2.097 78 Y HA -0.231 4.319 4.550 0.000 0.000 0.282 78 Y C 1.884 177.654 175.900 -0.216 0.000 1.152 78 Y CA 1.414 59.374 58.100 -0.233 0.000 1.136 78 Y CB -0.602 37.598 38.460 -0.434 0.000 0.975 78 Y HN 0.286 nan 8.280 nan 0.000 0.498 79 W N 0.621 121.925 121.300 0.007 0.000 2.381 79 W HA -0.091 4.569 4.660 -0.000 0.000 0.301 79 W C 2.423 178.888 176.519 -0.090 0.000 1.205 79 W CA 1.114 58.417 57.345 -0.070 0.000 1.285 79 W CB -0.164 29.329 29.460 0.056 0.000 1.133 79 W HN -0.123 nan 8.180 nan 0.000 0.521 80 K N 0.092 120.590 120.400 0.163 0.000 2.148 80 K HA -0.080 4.240 4.320 0.000 0.000 0.204 80 K C 2.155 178.768 176.600 0.022 0.000 1.050 80 K CA 1.199 57.539 56.287 0.089 0.000 0.942 80 K CB -0.415 32.130 32.500 0.075 0.000 0.724 80 K HN 0.098 nan 8.250 nan 0.000 0.446 81 A N 0.974 123.772 122.820 -0.037 0.000 2.067 81 A HA -0.062 4.258 4.320 0.000 0.000 0.219 81 A C 1.769 179.301 177.584 -0.087 0.000 1.158 81 A CA 1.008 53.003 52.037 -0.070 0.000 0.661 81 A CB -0.301 18.638 19.000 -0.102 0.000 0.801 81 A HN 0.175 nan 8.150 nan 0.000 0.452 82 L N -1.161 120.000 121.223 -0.104 0.000 2.611 82 L HA 0.239 4.579 4.340 0.000 0.000 0.229 82 L C 1.464 178.348 176.870 0.024 0.000 1.137 82 L CA 0.460 55.265 54.840 -0.057 0.000 0.901 82 L CB -0.049 41.965 42.059 -0.075 0.000 1.098 82 L HN 0.523 nan 8.230 nan 0.000 0.456 83 G N 1.132 109.951 108.800 0.032 0.000 2.160 83 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 83 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 83 G C -0.033 174.907 174.900 0.065 0.000 1.022 83 G CA -0.061 45.065 45.100 0.043 0.000 0.741 83 G HN 0.313 nan 8.290 nan 0.000 0.508 84 I N 0.597 121.230 120.570 0.105 0.000 2.465 84 I HA 0.461 4.632 4.170 0.000 0.000 0.291 84 I C 0.409 176.578 176.117 0.086 0.000 1.014 84 I CA -0.811 60.549 61.300 0.101 0.000 1.093 84 I CB 2.152 40.246 38.000 0.156 0.000 1.267 84 I HN 0.108 nan 8.210 nan 0.000 0.431 85 S N 7.924 123.644 115.700 0.033 0.000 2.416 85 S HA 0.466 4.936 4.470 0.000 0.000 0.287 85 S C -2.143 172.404 174.600 -0.088 0.000 1.139 85 S CA -1.115 57.089 58.200 0.008 0.000 1.058 85 S CB 0.275 63.486 63.200 0.019 0.000 0.967 85 S HN 0.385 nan 8.310 nan 0.000 0.495 86 P HA 0.308 nan 4.420 nan 0.000 0.285 86 P C 0.318 177.424 177.300 -0.323 0.000 1.285 86 P CA -0.770 62.164 63.100 -0.276 0.000 0.854 86 P CB 0.757 32.432 31.700 -0.042 0.000 1.180 87 F N 0.228 119.771 119.950 -0.679 0.000 2.179 87 F HA 0.037 4.565 4.527 0.001 0.000 0.292 87 F C 0.918 176.479 175.800 -0.399 0.000 1.089 87 F CA 0.801 58.402 58.000 -0.664 0.000 1.295 87 F CB -0.271 38.195 39.000 -0.890 0.000 1.041 87 F HN 0.288 nan 8.300 nan 0.000 0.487 88 H N 0.457 119.476 119.070 -0.085 0.000 2.511 88 H HA 0.141 4.697 4.556 0.000 0.000 0.346 88 H C 1.097 176.329 175.328 -0.160 0.000 1.128 88 H CA -0.245 55.736 56.048 -0.111 0.000 1.342 88 H CB 0.765 30.615 29.762 0.146 0.000 1.470 88 H HN 0.059 nan 8.280 nan 0.000 0.546 89 E N 1.550 121.649 120.200 -0.169 0.000 2.152 89 E HA -0.055 4.295 4.350 0.000 0.000 0.192 89 E C 0.240 176.707 176.600 -0.222 0.000 0.983 89 E CA 1.044 57.279 56.400 -0.274 0.000 0.818 89 E CB 0.173 29.565 29.700 -0.513 0.000 0.758 89 E HN 0.772 nan 8.360 nan 0.000 0.467 90 H N -3.461 115.639 119.070 0.049 0.000 2.904 90 H HA 0.626 5.182 4.556 -0.000 0.000 0.290 90 H C -1.243 173.993 175.328 -0.153 0.000 1.437 90 H CA -0.801 55.236 56.048 -0.019 0.000 1.147 90 H CB 0.776 30.524 29.762 -0.025 0.000 1.824 90 H HN -0.047 nan 8.280 nan 0.000 0.505 91 A N 0.756 123.501 122.820 -0.126 0.000 2.325 91 A HA 0.516 4.836 4.320 0.000 0.000 0.333 91 A C -0.440 176.997 177.584 -0.245 0.000 1.155 91 A CA -0.678 51.015 52.037 -0.574 0.000 0.814 91 A CB 1.245 19.675 19.000 -0.949 0.000 1.206 91 A HN 0.602 nan 8.150 nan 0.000 0.482 92 E N 0.713 120.801 120.200 -0.187 0.000 2.234 92 E HA 0.528 4.878 4.350 0.000 0.000 0.266 92 E C -1.618 174.996 176.600 0.022 0.000 0.877 92 E CA -0.640 55.726 56.400 -0.058 0.000 0.758 92 E CB 2.340 32.049 29.700 0.015 0.000 1.170 92 E HN 0.344 nan 8.360 nan 0.000 0.415 93 V N 2.769 122.706 119.914 0.038 0.000 2.482 93 V HA 0.324 4.444 4.120 0.000 0.000 0.295 93 V C -0.446 175.760 176.094 0.186 0.000 1.026 93 V CA -0.818 61.560 62.300 0.129 0.000 0.856 93 V CB 1.797 33.693 31.823 0.122 0.000 1.001 93 V HN 0.398 nan 8.190 nan 0.000 0.424 94 V N 6.487 126.525 119.914 0.208 0.000 2.487 94 V HA 0.750 4.871 4.120 0.000 0.000 0.298 94 V C -0.577 175.708 176.094 0.317 0.000 1.028 94 V CA -0.504 61.911 62.300 0.191 0.000 0.860 94 V CB 1.350 33.255 31.823 0.137 0.000 0.991 94 V HN 0.843 nan 8.190 nan 0.000 0.427 95 F N 1.256 121.275 119.950 0.115 0.000 2.668 95 F HA 0.769 5.296 4.527 0.000 0.000 0.309 95 F C -0.530 175.333 175.800 0.104 0.000 1.117 95 F CA -0.830 57.229 58.000 0.098 0.000 0.951 95 F CB 1.525 40.568 39.000 0.073 0.000 1.323 95 F HN 0.231 nan 8.300 nan 0.000 0.451 96 T N 2.220 116.875 114.554 0.167 0.000 2.799 96 T HA 0.697 5.048 4.350 0.000 0.000 0.286 96 T C -0.121 174.654 174.700 0.126 0.000 0.973 96 T CA -0.193 61.928 62.100 0.036 0.000 1.035 96 T CB 1.126 70.031 68.868 0.063 0.000 0.932 96 T HN 0.904 nan 8.240 nan 0.000 0.469 97 A N 3.978 126.760 122.820 -0.063 0.000 2.328 97 A HA 0.613 4.934 4.320 0.000 0.000 0.284 97 A C 0.104 177.708 177.584 0.034 0.000 1.160 97 A CA -0.584 51.385 52.037 -0.113 0.000 0.818 97 A CB 0.007 18.670 19.000 -0.562 0.000 1.087 97 A HN 0.854 nan 8.150 nan 0.000 0.504 98 N N 1.418 120.249 118.700 0.218 0.000 2.519 98 N HA 0.281 5.021 4.740 0.000 0.000 0.286 98 N C -0.413 175.198 175.510 0.169 0.000 1.079 98 N CA -0.480 52.663 53.050 0.156 0.000 0.878 98 N CB 1.440 40.020 38.487 0.154 0.000 1.375 98 N HN 0.560 nan 8.380 nan 0.000 0.514 99 D N 0.163 120.625 120.400 0.103 0.000 2.218 99 D HA -0.066 4.574 4.640 0.000 0.000 0.204 99 D C -0.109 176.233 176.300 0.071 0.000 0.976 99 D CA 1.071 55.126 54.000 0.091 0.000 0.853 99 D CB 0.088 40.924 40.800 0.060 0.000 0.939 99 D HN 0.344 nan 8.370 nan 0.000 0.481 100 S N 0.236 115.973 115.700 0.062 0.000 2.525 100 S HA 0.414 4.884 4.470 0.000 0.000 0.285 100 S C 0.936 175.564 174.600 0.047 0.000 1.283 100 S CA 0.359 58.587 58.200 0.047 0.000 1.072 100 S CB 0.595 63.821 63.200 0.043 0.000 0.867 100 S HN 0.506 nan 8.310 nan 0.000 0.492 101 G N 4.994 113.811 108.800 0.027 0.000 2.632 101 G HA2 -0.153 3.807 3.960 0.000 0.000 0.224 101 G HA3 -0.153 3.807 3.960 0.000 0.000 0.224 101 G C -3.155 171.738 174.900 -0.011 0.000 1.341 101 G CA -1.016 44.089 45.100 0.008 0.000 0.880 101 G HN 0.588 nan 8.290 nan 0.000 0.566 102 P HA 0.566 nan 4.420 nan 0.000 0.274 102 P C 0.504 177.707 177.300 -0.162 0.000 1.246 102 P CA -0.379 62.661 63.100 -0.100 0.000 0.795 102 P CB 0.604 32.229 31.700 -0.125 0.000 1.006 103 R N -0.304 120.129 120.500 -0.112 0.000 2.189 103 R HA 0.185 4.525 4.340 0.000 0.000 0.203 103 R C 0.458 176.732 176.300 -0.043 0.000 1.012 103 R CA 0.609 56.695 56.100 -0.023 0.000 1.015 103 R CB -0.061 30.257 30.300 0.030 0.000 0.938 103 R HN 0.375 nan 8.270 nan 0.000 0.472 104 R N 0.272 120.674 120.500 -0.164 0.000 2.387 104 R HA 0.322 4.662 4.340 0.000 0.000 0.314 104 R C -1.285 174.874 176.300 -0.236 0.000 0.958 104 R CA -0.547 55.494 56.100 -0.099 0.000 0.846 104 R CB 1.271 31.535 30.300 -0.058 0.000 1.147 104 R HN -0.018 nan 8.270 nan 0.000 0.447 105 Y N 0.880 121.156 120.300 -0.040 0.000 2.331 105 Y HA 0.298 4.848 4.550 0.001 0.000 0.338 105 Y C 0.376 176.183 175.900 -0.155 0.000 0.976 105 Y CA -0.501 57.541 58.100 -0.097 0.000 1.137 105 Y CB 2.157 40.565 38.460 -0.088 0.000 1.172 105 Y HN 0.408 nan 8.280 nan 0.000 0.478 106 T N 5.342 119.871 114.554 -0.043 0.000 2.779 106 T HA 0.477 4.827 4.350 0.000 0.000 0.280 106 T C -0.445 174.192 174.700 -0.104 0.000 0.987 106 T CA -0.553 61.496 62.100 -0.085 0.000 0.966 106 T CB 0.461 69.279 68.868 -0.083 0.000 0.933 106 T HN 0.269 nan 8.240 nan 0.000 0.442 107 I N 3.457 123.952 120.570 -0.126 0.000 2.307 107 I HA 0.515 4.686 4.170 0.000 0.000 0.289 107 I C 0.402 176.464 176.117 -0.090 0.000 1.021 107 I CA -0.879 60.346 61.300 -0.127 0.000 1.224 107 I CB 0.479 38.396 38.000 -0.137 0.000 1.376 107 I HN 0.642 nan 8.210 nan 0.000 0.470 108 A N 5.759 128.540 122.820 -0.064 0.000 2.304 108 A HA 0.888 5.208 4.320 0.000 0.000 0.323 108 A C -0.225 177.346 177.584 -0.021 0.000 1.195 108 A CA -0.500 51.508 52.037 -0.048 0.000 0.826 108 A CB 1.246 20.224 19.000 -0.037 0.000 1.184 108 A HN 0.784 nan 8.150 nan 0.000 0.496 109 A N 1.823 124.629 122.820 -0.022 0.000 2.355 109 A HA 0.695 5.015 4.320 0.000 0.000 0.317 109 A C -1.163 176.432 177.584 0.019 0.000 1.094 109 A CA -0.447 51.598 52.037 0.013 0.000 0.764 109 A CB 1.058 20.050 19.000 -0.014 0.000 1.230 109 A HN 1.448 nan 8.150 nan 0.000 0.448 110 L N 3.214 124.479 121.223 0.070 0.000 2.325 110 L HA 0.672 5.012 4.340 0.000 0.000 0.281 110 L C -1.224 175.742 176.870 0.160 0.000 1.004 110 L CA -0.246 54.646 54.840 0.086 0.000 0.823 110 L CB 1.030 43.135 42.059 0.077 0.000 1.236 110 L HN 0.619 nan 8.230 nan 0.000 0.415 111 L N 4.346 125.688 121.223 0.198 0.000 2.329 111 L HA 0.713 5.053 4.340 0.000 0.000 0.279 111 L C -0.069 177.126 176.870 0.543 0.000 1.014 111 L CA -0.367 54.702 54.840 0.381 0.000 0.814 111 L CB 1.755 44.026 42.059 0.354 0.000 1.257 111 L HN 0.624 nan 8.230 nan 0.000 0.424 112 S N 1.740 117.715 115.700 0.459 0.000 2.632 112 S HA 0.458 4.928 4.470 0.000 0.000 0.289 112 S C -2.094 172.423 174.600 -0.138 0.000 1.115 112 S CA -0.983 57.340 58.200 0.205 0.000 0.889 112 S CB 2.349 65.615 63.200 0.110 0.000 1.116 112 S HN 0.357 nan 8.310 nan 0.000 0.486 113 P HA -0.043 nan 4.420 nan 0.000 0.218 113 P C -0.038 177.061 177.300 -0.335 0.000 1.148 113 P CA 1.371 63.959 63.100 -0.853 0.000 0.822 113 P CB 0.040 31.329 31.700 -0.686 0.000 0.784 114 Y N -2.145 118.103 120.300 -0.086 0.000 2.660 114 Y HA 0.454 5.004 4.550 0.000 0.000 0.254 114 Y C 0.559 176.523 175.900 0.106 0.000 1.176 114 Y CA -0.145 57.937 58.100 -0.030 0.000 1.195 114 Y CB 0.641 38.988 38.460 -0.189 0.000 1.190 114 Y HN -0.202 nan 8.280 nan 0.000 0.535 115 S N 0.356 116.255 115.700 0.332 0.000 2.533 115 S HA 0.597 5.067 4.470 0.000 0.000 0.271 115 S C -1.752 173.003 174.600 0.258 0.000 1.143 115 S CA -0.535 57.812 58.200 0.245 0.000 0.891 115 S CB 0.675 63.947 63.200 0.120 0.000 1.105 115 S HN 0.218 nan 8.310 nan 0.000 0.468 116 Y N 0.900 121.224 120.300 0.041 0.000 2.492 116 Y HA 0.841 5.391 4.550 0.000 0.000 0.346 116 Y C -0.599 175.305 175.900 0.006 0.000 0.997 116 Y CA -0.853 57.251 58.100 0.007 0.000 1.025 116 Y CB 1.367 39.789 38.460 -0.063 0.000 1.263 116 Y HN 0.505 nan 8.280 nan 0.000 0.454 117 S N 2.222 117.999 115.700 0.128 0.000 2.526 117 S HA 0.766 5.237 4.470 0.000 0.000 0.293 117 S C -1.328 173.350 174.600 0.130 0.000 1.092 117 S CA -0.292 57.940 58.200 0.053 0.000 0.980 117 S CB 1.864 65.084 63.200 0.034 0.000 1.048 117 S HN 1.032 nan 8.310 nan 0.000 0.483 118 T N 2.217 116.828 114.554 0.096 0.000 2.952 118 T HA 0.636 4.986 4.350 0.000 0.000 0.305 118 T C -1.087 173.635 174.700 0.036 0.000 1.064 118 T CA -0.286 61.864 62.100 0.084 0.000 1.008 118 T CB 1.727 70.673 68.868 0.130 0.000 1.078 118 T HN 0.704 nan 8.240 nan 0.000 0.459 119 T N 2.154 116.713 114.554 0.009 0.000 2.906 119 T HA 0.810 5.161 4.350 0.000 0.000 0.295 119 T C -1.198 173.480 174.700 -0.036 0.000 1.075 119 T CA -0.368 61.727 62.100 -0.008 0.000 1.005 119 T CB 1.318 70.183 68.868 -0.006 0.000 1.136 119 T HN 0.904 nan 8.240 nan 0.000 0.498 120 A N 2.389 125.183 122.820 -0.044 0.000 2.330 120 A HA 0.771 5.091 4.320 0.000 0.000 0.327 120 A C -1.039 176.513 177.584 -0.054 0.000 1.155 120 A CA -0.552 51.442 52.037 -0.071 0.000 0.803 120 A CB 1.238 20.188 19.000 -0.083 0.000 1.208 120 A HN 0.729 nan 8.150 nan 0.000 0.477 121 V N 2.923 122.797 119.914 -0.066 0.000 2.376 121 V HA 0.443 4.563 4.120 0.000 0.000 0.287 121 V C -0.644 175.388 176.094 -0.105 0.000 1.015 121 V CA -0.485 61.774 62.300 -0.068 0.000 0.834 121 V CB 1.320 33.109 31.823 -0.057 0.000 1.001 121 V HN 0.622 nan 8.190 nan 0.000 0.428 122 V N 4.692 124.528 119.914 -0.130 0.000 2.376 122 V HA 0.700 4.820 4.120 0.000 0.000 0.287 122 V C 0.303 176.288 176.094 -0.181 0.000 1.015 122 V CA -0.189 61.965 62.300 -0.244 0.000 0.834 122 V CB 1.560 33.211 31.823 -0.287 0.000 1.001 122 V HN 1.026 nan 8.190 nan 0.000 0.428 123 T N 0.000 114.451 114.554 -0.172 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.036 62.100 -0.107 0.000 1.349 123 T CB 0.000 68.824 68.868 -0.073 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658