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 2g3z_1_A DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEEFVEGIY KVEIDTKSYW KALGASPFHE 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 0.000 175.032 174.990 0.071 0.000 1.270 10 C CA 0.000 59.050 59.018 0.054 0.000 1.963 10 C CB 0.000 27.788 27.740 0.081 0.000 2.134 11 P HA 0.150 nan 4.420 nan 0.000 0.235 11 P C -0.117 177.236 177.300 0.088 0.000 1.177 11 P CA 0.459 63.652 63.100 0.154 0.000 0.785 11 P CB 0.480 32.347 31.700 0.279 0.000 0.885 12 L N 0.103 121.275 121.223 -0.085 0.000 2.491 12 L HA 0.482 4.822 4.340 0.000 0.000 0.267 12 L C -1.037 175.775 176.870 -0.097 0.000 0.971 12 L CA -0.653 54.093 54.840 -0.155 0.000 0.857 12 L CB 1.535 43.282 42.059 -0.520 0.000 1.226 12 L HN -0.250 nan 8.230 nan 0.000 0.408 13 M N 4.208 123.775 119.600 -0.054 0.000 2.602 13 M HA 0.771 5.252 4.480 0.000 0.000 0.312 13 M C -1.125 175.099 176.300 -0.128 0.000 1.181 13 M CA -0.893 54.336 55.300 -0.119 0.000 0.910 13 M CB 2.508 35.046 32.600 -0.104 0.000 1.723 13 M HN 0.242 nan 8.290 nan 0.000 0.459 14 V N 1.512 121.311 119.914 -0.191 0.000 2.709 14 V HA 0.662 4.782 4.120 0.000 0.000 0.308 14 V C -1.032 174.956 176.094 -0.176 0.000 1.062 14 V CA -0.734 61.476 62.300 -0.149 0.000 0.901 14 V CB 2.276 34.022 31.823 -0.127 0.000 1.003 14 V HN 0.743 nan 8.190 nan 0.000 0.425 15 K N 3.083 123.405 120.400 -0.129 0.000 2.471 15 K HA 0.771 5.091 4.320 0.000 0.000 0.252 15 K C -1.762 174.775 176.600 -0.103 0.000 0.938 15 K CA -0.371 55.846 56.287 -0.117 0.000 0.796 15 K CB 2.046 34.495 32.500 -0.086 0.000 1.161 15 K HN 0.422 nan 8.250 nan 0.000 0.425 16 V N 5.518 125.358 119.914 -0.123 0.000 2.540 16 V HA 0.548 4.668 4.120 0.000 0.000 0.302 16 V C -0.594 175.425 176.094 -0.125 0.000 1.035 16 V CA -0.857 61.358 62.300 -0.142 0.000 0.873 16 V CB 1.436 33.121 31.823 -0.230 0.000 0.992 16 V HN 0.667 nan 8.190 nan 0.000 0.428 17 L N 3.099 124.274 121.223 -0.080 0.000 2.342 17 L HA 0.630 4.970 4.340 0.000 0.000 0.271 17 L C -0.759 176.108 176.870 -0.004 0.000 1.008 17 L CA -0.573 54.246 54.840 -0.035 0.000 0.818 17 L CB 2.250 44.314 42.059 0.008 0.000 1.296 17 L HN 0.580 nan 8.230 nan 0.000 0.427 18 D N 1.595 122.020 120.400 0.042 0.000 2.427 18 D HA 0.332 4.972 4.640 0.000 0.000 0.226 18 D C 0.482 176.911 176.300 0.215 0.000 1.076 18 D CA -0.352 53.742 54.000 0.156 0.000 0.849 18 D CB 2.095 43.004 40.800 0.181 0.000 1.052 18 D HN 0.601 nan 8.370 nan 0.000 0.515 19 A N 3.278 126.257 122.820 0.263 0.000 2.206 19 A HA 0.020 4.340 4.320 0.000 0.000 0.211 19 A C 1.865 179.576 177.584 0.212 0.000 1.158 19 A CA 0.397 52.556 52.037 0.204 0.000 0.761 19 A CB 0.129 19.237 19.000 0.179 0.000 0.801 19 A HN 0.481 nan 8.150 nan 0.000 0.473 20 V N -0.543 119.558 119.914 0.313 0.000 2.599 20 V HA -0.053 4.067 4.120 0.000 0.000 0.245 20 V C 2.114 178.322 176.094 0.190 0.000 1.046 20 V CA 1.580 64.028 62.300 0.248 0.000 1.065 20 V CB -0.434 31.585 31.823 0.328 0.000 0.703 20 V HN 0.553 nan 8.190 nan 0.000 0.464 21 R N -0.137 120.485 120.500 0.204 0.000 2.472 21 R HA 0.321 4.661 4.340 0.000 0.000 0.279 21 R C 1.189 177.554 176.300 0.108 0.000 0.953 21 R CA 0.522 56.704 56.100 0.138 0.000 1.088 21 R CB 0.648 31.028 30.300 0.133 0.000 1.197 21 R HN 0.453 nan 8.270 nan 0.000 0.536 22 G N 2.392 111.260 108.800 0.114 0.000 2.372 22 G HA2 -0.309 3.651 3.960 0.000 0.000 0.297 22 G HA3 -0.309 3.651 3.960 0.000 0.000 0.297 22 G C -0.102 174.840 174.900 0.069 0.000 1.005 22 G CA 0.855 46.005 45.100 0.084 0.000 1.173 22 G HN 0.459 nan 8.290 nan 0.000 0.511 23 S N -0.951 114.794 115.700 0.075 0.000 2.671 23 S HA 0.891 5.361 4.470 0.000 0.000 0.277 23 S C -2.971 171.653 174.600 0.040 0.000 1.165 23 S CA -0.997 57.236 58.200 0.056 0.000 0.822 23 S CB 3.151 66.388 63.200 0.062 0.000 1.150 23 S HN 0.272 nan 8.310 nan 0.000 0.479 24 P HA 0.378 nan 4.420 nan 0.000 0.274 24 P C -0.891 176.389 177.300 -0.035 0.000 1.231 24 P CA -0.245 62.844 63.100 -0.018 0.000 0.790 24 P CB 0.537 32.226 31.700 -0.018 0.000 0.951 25 A N 3.871 126.608 122.820 -0.139 0.000 2.343 25 A HA 0.405 4.725 4.320 0.000 0.000 0.305 25 A C 0.466 177.916 177.584 -0.224 0.000 1.308 25 A CA -0.588 51.263 52.037 -0.310 0.000 0.949 25 A CB -0.922 17.646 19.000 -0.719 0.000 1.148 25 A HN 0.437 nan 8.150 nan 0.000 0.545 26 I N 1.625 122.175 120.570 -0.034 0.000 2.532 26 I HA 0.146 4.316 4.170 0.000 0.000 0.292 26 I C 0.698 176.827 176.117 0.020 0.000 1.014 26 I CA -0.261 61.037 61.300 -0.004 0.000 1.340 26 I CB 0.711 38.734 38.000 0.037 0.000 1.422 26 I HN 0.888 nan 8.210 nan 0.000 0.528 27 N N 1.596 120.286 118.700 -0.017 0.000 2.725 27 N HA -0.147 4.593 4.740 0.000 0.000 0.249 27 N C -0.806 174.690 175.510 -0.023 0.000 1.103 27 N CA 0.035 53.079 53.050 -0.010 0.000 0.707 27 N CB -0.793 37.708 38.487 0.023 0.000 1.043 27 N HN 0.235 nan 8.380 nan 0.000 0.553 28 V N 0.624 120.479 119.914 -0.099 0.000 2.498 28 V HA 0.555 4.676 4.120 0.000 0.000 0.279 28 V C 0.907 176.938 176.094 -0.104 0.000 1.048 28 V CA -0.342 61.876 62.300 -0.137 0.000 0.967 28 V CB 1.371 33.014 31.823 -0.301 0.000 0.988 28 V HN 0.308 nan 8.190 nan 0.000 0.473 29 A N 5.339 128.122 122.820 -0.062 0.000 2.401 29 A HA 0.658 4.978 4.320 0.000 0.000 0.259 29 A C -0.423 177.126 177.584 -0.059 0.000 1.103 29 A CA -0.229 51.773 52.037 -0.058 0.000 0.789 29 A CB 0.531 19.542 19.000 0.018 0.000 1.035 29 A HN 0.715 nan 8.150 nan 0.000 0.491 30 V N 3.524 123.359 119.914 -0.132 0.000 2.686 30 V HA 0.396 4.517 4.120 0.000 0.000 0.306 30 V C -1.045 174.922 176.094 -0.212 0.000 1.065 30 V CA -0.560 61.680 62.300 -0.101 0.000 0.894 30 V CB 1.848 33.600 31.823 -0.119 0.000 1.004 30 V HN 1.018 nan 8.190 nan 0.000 0.424 31 H N 1.850 120.835 119.070 -0.142 0.000 2.538 31 H HA 0.775 5.332 4.556 0.000 0.000 0.353 31 H C -0.739 174.419 175.328 -0.283 0.000 1.109 31 H CA -0.571 55.320 56.048 -0.261 0.000 1.192 31 H CB 2.136 31.727 29.762 -0.284 0.000 1.555 31 H HN 0.433 nan 8.280 nan 0.000 0.518 32 V N 4.312 124.062 119.914 -0.272 0.000 2.487 32 V HA 0.402 4.522 4.120 0.000 0.000 0.298 32 V C -0.793 175.172 176.094 -0.215 0.000 1.028 32 V CA -0.691 61.554 62.300 -0.092 0.000 0.860 32 V CB 0.570 32.459 31.823 0.109 0.000 0.991 32 V HN 0.527 nan 8.190 nan 0.000 0.427 33 F N 2.741 122.812 119.950 0.202 0.000 2.598 33 F HA 0.775 5.303 4.527 0.000 0.000 0.327 33 F C 0.214 176.156 175.800 0.236 0.000 1.057 33 F CA -0.920 57.237 58.000 0.263 0.000 0.957 33 F CB 1.850 40.997 39.000 0.245 0.000 1.278 33 F HN 0.329 nan 8.300 nan 0.000 0.484 34 R N 1.380 122.094 120.500 0.357 0.000 2.628 34 R HA 0.358 4.698 4.340 0.000 0.000 0.288 34 R C -1.123 175.100 176.300 -0.128 0.000 0.980 34 R CA -0.905 55.111 56.100 -0.141 0.000 0.891 34 R CB 1.660 31.691 30.300 -0.448 0.000 1.188 34 R HN 0.708 nan 8.270 nan 0.000 0.450 35 K N 2.740 122.854 120.400 -0.476 0.000 2.412 35 K HA 0.229 4.549 4.320 0.000 0.000 0.284 35 K C -0.668 175.642 176.600 -0.484 0.000 1.046 35 K CA 0.014 55.793 56.287 -0.846 0.000 0.999 35 K CB 0.891 32.753 32.500 -1.063 0.000 0.941 35 K HN 0.647 nan 8.250 nan 0.000 0.474 36 A N 3.454 126.030 122.820 -0.407 0.000 2.286 36 A HA 0.434 4.754 4.320 0.000 0.000 0.286 36 A C 1.143 178.589 177.584 -0.230 0.000 1.097 36 A CA 0.209 52.102 52.037 -0.240 0.000 0.821 36 A CB 0.855 19.762 19.000 -0.155 0.000 1.076 36 A HN 0.945 nan 8.150 nan 0.000 0.490 37 A N 0.817 123.543 122.820 -0.156 0.000 1.997 37 A HA -0.187 4.133 4.320 0.000 0.000 0.221 37 A C 1.203 178.713 177.584 -0.124 0.000 1.172 37 A CA 2.231 54.191 52.037 -0.128 0.000 0.645 37 A CB -0.633 18.315 19.000 -0.087 0.000 0.813 37 A HN 0.899 nan 8.150 nan 0.000 0.454 38 D N -2.481 117.845 120.400 -0.124 0.000 2.395 38 D HA 0.174 4.814 4.640 0.000 0.000 0.226 38 D C -0.158 176.059 176.300 -0.139 0.000 1.146 38 D CA 0.401 54.337 54.000 -0.107 0.000 0.830 38 D CB -0.196 40.558 40.800 -0.076 0.000 0.958 38 D HN 0.298 nan 8.370 nan 0.000 0.501 39 D N -0.636 119.638 120.400 -0.211 0.000 2.946 39 D HA -0.164 4.476 4.640 0.000 0.000 0.202 39 D C 0.093 176.174 176.300 -0.366 0.000 1.068 39 D CA 1.586 55.415 54.000 -0.285 0.000 1.011 39 D CB -1.827 38.869 40.800 -0.174 0.000 1.105 39 D HN 0.591 nan 8.370 nan 0.000 0.425 40 T N -2.850 111.536 114.554 -0.280 0.000 2.849 40 T HA 0.426 4.777 4.350 0.000 0.000 0.284 40 T C 0.113 174.609 174.700 -0.340 0.000 1.004 40 T CA -0.517 61.461 62.100 -0.204 0.000 1.021 40 T CB 1.041 69.868 68.868 -0.069 0.000 1.013 40 T HN 0.149 nan 8.240 nan 0.000 0.527 41 W N 1.261 122.524 121.300 -0.062 0.000 2.291 41 W HA 0.408 5.068 4.660 0.000 0.000 0.312 41 W C 0.129 176.702 176.519 0.091 0.000 1.061 41 W CA -0.766 56.556 57.345 -0.038 0.000 1.296 41 W CB 0.889 30.232 29.460 -0.194 0.000 1.223 41 W HN 0.540 nan 8.180 nan 0.000 0.421 42 E N 4.172 124.557 120.200 0.308 0.000 2.259 42 E HA 0.239 4.589 4.350 0.000 0.000 0.281 42 E C -2.211 174.648 176.600 0.433 0.000 1.027 42 E CA -2.222 54.356 56.400 0.296 0.000 0.838 42 E CB 0.687 30.481 29.700 0.155 0.000 1.066 42 E HN 0.009 nan 8.360 nan 0.000 0.401 43 P HA -0.027 nan 4.420 nan 0.000 0.265 43 P C -0.286 177.115 177.300 0.167 0.000 1.193 43 P CA 0.366 63.575 63.100 0.182 0.000 0.765 43 P CB 0.263 32.042 31.700 0.131 0.000 0.823 44 F N 3.286 123.188 119.950 -0.079 0.000 2.581 44 F HA 0.600 5.127 4.527 0.000 0.000 0.278 44 F C 0.062 175.829 175.800 -0.055 0.000 1.000 44 F CA 0.522 58.524 58.000 0.003 0.000 1.230 44 F CB 0.494 39.570 39.000 0.125 0.000 1.008 44 F HN 0.390 nan 8.300 nan 0.000 0.695 45 A N -0.254 122.512 122.820 -0.090 0.000 2.567 45 A HA 0.625 4.946 4.320 0.000 0.000 0.291 45 A C -1.117 176.347 177.584 -0.200 0.000 1.048 45 A CA 0.037 51.949 52.037 -0.207 0.000 0.661 45 A CB 0.388 19.252 19.000 -0.228 0.000 1.288 45 A HN 0.617 nan 8.150 nan 0.000 0.424 46 S N -0.754 114.804 115.700 -0.236 0.000 2.611 46 S HA 0.989 5.460 4.470 0.000 0.000 0.268 46 S C -0.198 174.250 174.600 -0.254 0.000 1.156 46 S CA 0.116 58.123 58.200 -0.321 0.000 0.817 46 S CB 1.031 63.909 63.200 -0.537 0.000 1.122 46 S HN 2.789 nan 8.310 nan 0.000 0.466 47 G N 0.240 108.882 108.800 -0.263 0.000 2.320 47 G HA2 0.529 4.489 3.960 0.000 0.000 0.296 47 G HA3 0.529 4.489 3.960 0.000 0.000 0.296 47 G C -2.397 172.404 174.900 -0.164 0.000 1.306 47 G CA -0.911 44.080 45.100 -0.183 0.000 0.836 47 G HN 0.730 nan 8.290 nan 0.000 0.517 48 K N 0.180 120.509 120.400 -0.119 0.000 2.375 48 K HA 0.643 4.963 4.320 0.000 0.000 0.249 48 K C 0.148 176.692 176.600 -0.094 0.000 0.942 48 K CA -0.646 55.580 56.287 -0.102 0.000 0.806 48 K CB 2.109 34.564 32.500 -0.075 0.000 1.227 48 K HN 0.824 nan 8.250 nan 0.000 0.430 49 T N -0.965 113.526 114.554 -0.104 0.000 2.900 49 T HA 0.095 4.445 4.350 0.000 0.000 0.307 49 T C 0.794 175.454 174.700 -0.066 0.000 1.065 49 T CA -0.667 61.372 62.100 -0.103 0.000 1.105 49 T CB 0.883 69.671 68.868 -0.134 0.000 0.979 49 T HN 0.584 nan 8.240 nan 0.000 0.544 50 S N 1.420 117.092 115.700 -0.047 0.000 2.598 50 S HA 0.246 4.716 4.470 0.000 0.000 0.267 50 S C 1.090 175.679 174.600 -0.017 0.000 1.189 50 S CA -0.864 57.325 58.200 -0.019 0.000 1.010 50 S CB 0.336 63.541 63.200 0.010 0.000 1.084 50 S HN 0.743 nan 8.310 nan 0.000 0.541 51 E N 0.746 120.944 120.200 -0.004 0.000 2.338 51 E HA -0.055 4.296 4.350 0.000 0.000 0.197 51 E C 1.842 178.442 176.600 0.000 0.000 1.007 51 E CA 1.145 57.545 56.400 0.000 0.000 0.849 51 E CB -0.309 29.393 29.700 0.005 0.000 0.774 51 E HN 0.748 nan 8.360 nan 0.000 0.506 52 S N -1.058 114.642 115.700 0.001 0.000 2.575 52 S HA 0.250 4.720 4.470 0.000 0.000 0.215 52 S C 1.503 176.092 174.600 -0.018 0.000 0.966 52 S CA 0.414 58.615 58.200 0.003 0.000 0.911 52 S CB 0.473 63.686 63.200 0.021 0.000 0.780 52 S HN 0.239 nan 8.310 nan 0.000 0.514 53 G N 0.841 109.617 108.800 -0.039 0.000 2.143 53 G HA2 -0.225 3.735 3.960 0.000 0.000 0.248 53 G HA3 -0.225 3.735 3.960 0.000 0.000 0.248 53 G C -0.354 174.485 174.900 -0.101 0.000 0.991 53 G CA 0.206 45.259 45.100 -0.079 0.000 0.689 53 G HN 0.636 nan 8.290 nan 0.000 0.522 54 E N -0.929 119.218 120.200 -0.089 0.000 2.207 54 E HA 0.708 5.058 4.350 0.000 0.000 0.270 54 E C -0.851 175.626 176.600 -0.205 0.000 0.927 54 E CA -1.128 55.168 56.400 -0.173 0.000 0.799 54 E CB 2.374 31.992 29.700 -0.136 0.000 1.172 54 E HN 0.220 nan 8.360 nan 0.000 0.404 55 L N 2.537 123.558 121.223 -0.337 0.000 2.372 55 L HA 0.389 4.730 4.340 0.000 0.000 0.273 55 L C -1.555 175.101 176.870 -0.356 0.000 0.989 55 L CA -0.203 54.488 54.840 -0.248 0.000 0.841 55 L CB 0.701 42.652 42.059 -0.180 0.000 1.225 55 L HN 0.586 nan 8.230 nan 0.000 0.414 56 H N 2.497 121.530 119.070 -0.060 0.000 2.771 56 H HA 0.730 5.287 4.556 0.000 0.000 0.344 56 H C 0.828 176.117 175.328 -0.065 0.000 1.260 56 H CA -0.243 55.770 56.048 -0.057 0.000 1.276 56 H CB 1.513 31.249 29.762 -0.044 0.000 1.881 56 H HN 0.752 nan 8.280 nan 0.000 0.615 57 G N 0.163 109.014 108.800 0.086 0.000 2.225 57 G HA2 -0.304 3.657 3.960 0.000 0.000 0.267 57 G HA3 -0.304 3.657 3.960 0.000 0.000 0.267 57 G C 0.821 175.693 174.900 -0.047 0.000 1.024 57 G CA 0.766 45.870 45.100 0.007 0.000 0.784 57 G HN 0.494 nan 8.290 nan 0.000 0.507 58 L N -1.282 119.898 121.223 -0.071 0.000 2.046 58 L HA 0.134 4.474 4.340 0.000 0.000 0.208 58 L C 1.850 178.632 176.870 -0.147 0.000 1.077 58 L CA 2.071 56.843 54.840 -0.114 0.000 0.747 58 L CB -0.096 41.894 42.059 -0.116 0.000 0.896 58 L HN 0.505 nan 8.230 nan 0.000 0.432 59 T N -2.578 111.902 114.554 -0.125 0.000 2.681 59 T HA 0.438 4.788 4.350 0.000 0.000 0.296 59 T C -0.624 174.051 174.700 -0.041 0.000 1.157 59 T CA -0.133 61.893 62.100 -0.122 0.000 1.025 59 T CB 1.623 70.439 68.868 -0.087 0.000 1.441 59 T HN 0.195 nan 8.240 nan 0.000 0.504 60 T N -0.700 113.864 114.554 0.017 0.000 2.883 60 T HA 0.490 4.840 4.350 0.000 0.000 0.284 60 T C 1.172 175.959 174.700 0.145 0.000 1.041 60 T CA -0.228 61.907 62.100 0.058 0.000 1.007 60 T CB 1.484 70.375 68.868 0.038 0.000 1.220 60 T HN 0.692 nan 8.240 nan 0.000 0.552 61 E N 0.777 121.059 120.200 0.137 0.000 2.153 61 E HA -0.213 4.137 4.350 0.000 0.000 0.194 61 E C 1.281 177.987 176.600 0.177 0.000 0.988 61 E CA 1.516 58.021 56.400 0.176 0.000 0.811 61 E CB -0.430 29.342 29.700 0.120 0.000 0.746 61 E HN 0.873 nan 8.360 nan 0.000 0.466 62 E N 0.586 120.867 120.200 0.135 0.000 2.170 62 E HA -0.059 4.291 4.350 0.000 0.000 0.191 62 E C 1.985 178.682 176.600 0.161 0.000 0.981 62 E CA 0.809 57.282 56.400 0.121 0.000 0.830 62 E CB 0.047 29.794 29.700 0.078 0.000 0.775 62 E HN 0.459 nan 8.360 nan 0.000 0.470 63 E N 0.308 120.620 120.200 0.186 0.000 2.158 63 E HA -0.077 4.273 4.350 0.000 0.000 0.191 63 E C 0.293 177.193 176.600 0.500 0.000 0.982 63 E CA 0.098 56.641 56.400 0.237 0.000 0.823 63 E CB 0.065 29.819 29.700 0.089 0.000 0.766 63 E HN 0.040 nan 8.360 nan 0.000 0.468 64 F N 3.272 123.402 119.950 0.301 0.000 2.651 64 F HA 0.069 4.596 4.527 -0.000 0.000 0.347 64 F C 0.277 176.190 175.800 0.188 0.000 1.284 64 F CA -1.324 56.852 58.000 0.294 0.000 1.175 64 F CB -0.603 38.492 39.000 0.158 0.000 1.542 64 F HN -0.305 nan 8.300 nan 0.000 0.661 65 V N 1.850 121.923 119.914 0.265 0.000 3.403 65 V HA 0.391 4.511 4.120 0.000 0.000 0.305 65 V C 0.456 176.523 176.094 -0.046 0.000 1.060 65 V CA -1.138 61.206 62.300 0.073 0.000 1.053 65 V CB 0.750 32.637 31.823 0.106 0.000 1.198 65 V HN 0.540 nan 8.190 nan 0.000 0.447 66 E N 0.056 120.223 120.200 -0.054 0.000 2.398 66 E HA 0.495 4.845 4.350 0.000 0.000 0.263 66 E C 0.084 176.651 176.600 -0.056 0.000 1.046 66 E CA 0.691 57.053 56.400 -0.065 0.000 0.908 66 E CB 0.493 30.166 29.700 -0.045 0.000 0.963 66 E HN 1.308 nan 8.360 nan 0.000 0.431 67 G N 2.562 111.326 108.800 -0.060 0.000 2.341 67 G HA2 0.156 4.116 3.960 0.000 0.000 0.293 67 G HA3 0.156 4.116 3.960 0.000 0.000 0.293 67 G C -1.378 173.390 174.900 -0.221 0.000 1.298 67 G CA -0.923 44.051 45.100 -0.210 0.000 0.868 67 G HN 0.517 nan 8.290 nan 0.000 0.540 68 I N 1.281 121.643 120.570 -0.346 0.000 2.307 68 I HA 0.404 4.574 4.170 0.000 0.000 0.289 68 I C -0.755 175.177 176.117 -0.309 0.000 1.021 68 I CA -0.534 60.632 61.300 -0.222 0.000 1.224 68 I CB 0.761 38.678 38.000 -0.137 0.000 1.376 68 I HN 0.362 nan 8.210 nan 0.000 0.470 69 Y N 5.138 125.252 120.300 -0.311 0.000 2.457 69 Y HA 0.507 5.057 4.550 -0.000 0.000 0.333 69 Y C 0.142 175.871 175.900 -0.285 0.000 1.119 69 Y CA -0.811 57.105 58.100 -0.306 0.000 1.143 69 Y CB 1.592 39.675 38.460 -0.628 0.000 1.230 69 Y HN 0.383 nan 8.280 nan 0.000 0.469 70 K N 1.551 121.990 120.400 0.065 0.000 2.463 70 K HA 0.665 4.986 4.320 0.000 0.000 0.255 70 K C -2.116 174.540 176.600 0.095 0.000 0.942 70 K CA -0.540 55.705 56.287 -0.071 0.000 0.814 70 K CB 1.202 33.391 32.500 -0.519 0.000 1.122 70 K HN 0.520 nan 8.250 nan 0.000 0.425 71 V N 4.327 124.311 119.914 0.116 0.000 2.347 71 V HA 0.280 4.400 4.120 0.000 0.000 0.280 71 V C -0.540 175.592 176.094 0.062 0.000 1.021 71 V CA -0.578 61.795 62.300 0.123 0.000 0.847 71 V CB 1.277 33.207 31.823 0.179 0.000 0.990 71 V HN 0.813 nan 8.190 nan 0.000 0.444 72 E N 4.652 124.882 120.200 0.051 0.000 2.145 72 E HA 0.509 4.860 4.350 0.000 0.000 0.270 72 E C -1.306 175.265 176.600 -0.049 0.000 0.906 72 E CA -0.727 55.650 56.400 -0.040 0.000 0.761 72 E CB 2.143 31.768 29.700 -0.126 0.000 1.116 72 E HN 0.486 nan 8.360 nan 0.000 0.408 73 I N 2.924 123.449 120.570 -0.076 0.000 2.312 73 I HA 0.070 4.240 4.170 0.000 0.000 0.290 73 I C -0.126 175.969 176.117 -0.037 0.000 1.008 73 I CA -0.503 60.749 61.300 -0.080 0.000 1.226 73 I CB 1.027 38.946 38.000 -0.134 0.000 1.371 73 I HN 0.293 nan 8.210 nan 0.000 0.468 74 D N 5.620 126.017 120.400 -0.005 0.000 2.545 74 D HA 0.021 4.661 4.640 0.000 0.000 0.227 74 D C 1.510 177.846 176.300 0.059 0.000 1.150 74 D CA 0.199 54.245 54.000 0.076 0.000 1.046 74 D CB 0.437 41.290 40.800 0.087 0.000 1.098 74 D HN 0.670 nan 8.370 nan 0.000 0.502 75 T N -1.595 112.998 114.554 0.065 0.000 2.867 75 T HA -0.164 4.186 4.350 0.000 0.000 0.268 75 T C 1.748 176.565 174.700 0.195 0.000 1.057 75 T CA 0.547 62.685 62.100 0.064 0.000 1.136 75 T CB 0.288 69.239 68.868 0.137 0.000 0.874 75 T HN 0.174 nan 8.240 nan 0.000 0.466 76 K N 0.891 121.417 120.400 0.210 0.000 2.020 76 K HA -0.158 4.162 4.320 0.000 0.000 0.212 76 K C 2.723 179.429 176.600 0.177 0.000 1.050 76 K CA 1.685 58.096 56.287 0.208 0.000 0.929 76 K CB -0.581 31.987 32.500 0.113 0.000 0.714 76 K HN 0.392 nan 8.250 nan 0.000 0.443 77 S N -0.353 115.425 115.700 0.131 0.000 2.400 77 S HA -0.201 4.269 4.470 0.000 0.000 0.232 77 S C 1.856 176.513 174.600 0.095 0.000 1.025 77 S CA 1.237 59.497 58.200 0.100 0.000 0.993 77 S CB -0.408 62.843 63.200 0.085 0.000 0.808 77 S HN 0.478 nan 8.310 nan 0.000 0.478 78 Y N 0.381 120.637 120.300 -0.074 0.000 2.133 78 Y HA -0.074 4.477 4.550 0.000 0.000 0.287 78 Y C 1.801 177.612 175.900 -0.150 0.000 1.134 78 Y CA 1.766 59.747 58.100 -0.198 0.000 1.133 78 Y CB -0.766 37.447 38.460 -0.412 0.000 0.987 78 Y HN 0.384 nan 8.280 nan 0.000 0.502 79 W N 0.830 122.157 121.300 0.044 0.000 2.388 79 W HA -0.110 4.550 4.660 0.001 0.000 0.294 79 W C 2.372 178.849 176.519 -0.069 0.000 1.212 79 W CA 0.989 58.303 57.345 -0.052 0.000 1.271 79 W CB -0.132 29.367 29.460 0.066 0.000 1.126 79 W HN -0.133 nan 8.180 nan 0.000 0.535 80 K N 0.090 120.606 120.400 0.193 0.000 2.148 80 K HA -0.088 4.232 4.320 0.000 0.000 0.204 80 K C 2.025 178.650 176.600 0.042 0.000 1.050 80 K CA 1.257 57.607 56.287 0.105 0.000 0.942 80 K CB -0.411 32.139 32.500 0.084 0.000 0.724 80 K HN 0.096 nan 8.250 nan 0.000 0.446 81 A N 0.372 123.189 122.820 -0.007 0.000 2.235 81 A HA -0.011 4.309 4.320 0.000 0.000 0.208 81 A C 1.498 179.037 177.584 -0.076 0.000 1.172 81 A CA 0.837 52.848 52.037 -0.044 0.000 0.786 81 A CB 0.008 18.971 19.000 -0.061 0.000 0.804 81 A HN 0.092 nan 8.150 nan 0.000 0.479 82 L N -2.404 118.777 121.223 -0.069 0.000 2.731 82 L HA 0.360 4.700 4.340 0.000 0.000 0.240 82 L C 1.650 178.537 176.870 0.027 0.000 1.120 82 L CA 1.138 55.948 54.840 -0.050 0.000 0.913 82 L CB 0.376 42.389 42.059 -0.077 0.000 1.213 82 L HN 0.502 nan 8.230 nan 0.000 0.515 83 G N -0.884 107.942 108.800 0.044 0.000 2.194 83 G HA2 -0.212 3.749 3.960 0.000 0.000 0.236 83 G HA3 -0.212 3.749 3.960 0.000 0.000 0.236 83 G C 0.594 175.533 174.900 0.065 0.000 0.987 83 G CA 0.110 45.239 45.100 0.048 0.000 0.635 83 G HN 0.592 nan 8.290 nan 0.000 0.520 84 A N -0.002 122.881 122.820 0.105 0.000 2.313 84 A HA 0.730 5.051 4.320 0.000 0.000 0.261 84 A C 0.701 178.327 177.584 0.070 0.000 1.090 84 A CA 0.849 52.934 52.037 0.079 0.000 0.807 84 A CB 0.592 19.636 19.000 0.073 0.000 1.055 84 A HN 1.072 nan 8.150 nan 0.000 0.492 85 S N 2.788 118.506 115.700 0.030 0.000 2.505 85 S HA 0.443 4.913 4.470 0.000 0.000 0.280 85 S C -2.441 172.142 174.600 -0.028 0.000 1.197 85 S CA -0.840 57.383 58.200 0.037 0.000 1.138 85 S CB 0.493 63.735 63.200 0.071 0.000 1.010 85 S HN 0.676 nan 8.310 nan 0.000 0.480 86 P HA 0.272 nan 4.420 nan 0.000 0.276 86 P C 0.271 177.413 177.300 -0.263 0.000 1.244 86 P CA -0.605 62.388 63.100 -0.178 0.000 0.801 86 P CB 0.852 32.599 31.700 0.079 0.000 1.006 87 F N 1.229 120.780 119.950 -0.666 0.000 2.220 87 F HA 0.090 4.617 4.527 0.000 0.000 0.290 87 F C 0.983 176.527 175.800 -0.427 0.000 1.080 87 F CA 0.757 58.322 58.000 -0.725 0.000 1.318 87 F CB -0.507 37.802 39.000 -1.152 0.000 1.063 87 F HN 0.317 nan 8.300 nan 0.000 0.498 88 H N 0.252 119.271 119.070 -0.086 0.000 2.505 88 H HA 0.190 4.746 4.556 0.000 0.000 0.355 88 H C 1.165 176.414 175.328 -0.132 0.000 1.179 88 H CA -0.127 55.863 56.048 -0.097 0.000 1.343 88 H CB 0.685 30.557 29.762 0.183 0.000 1.501 88 H HN 0.028 nan 8.280 nan 0.000 0.569 89 E N 1.004 121.126 120.200 -0.129 0.000 2.086 89 E HA -0.017 4.333 4.350 0.000 0.000 0.190 89 E C 0.171 176.624 176.600 -0.245 0.000 0.975 89 E CA 1.075 57.289 56.400 -0.309 0.000 0.813 89 E CB 0.312 29.622 29.700 -0.650 0.000 0.768 89 E HN 0.626 nan 8.360 nan 0.000 0.457 90 H N -1.955 117.128 119.070 0.023 0.000 2.942 90 H HA 0.658 5.215 4.556 0.001 0.000 0.316 90 H C -0.974 174.203 175.328 -0.252 0.000 1.323 90 H CA -0.983 55.022 56.048 -0.071 0.000 1.144 90 H CB 0.945 30.659 29.762 -0.081 0.000 1.866 90 H HN -0.017 nan 8.280 nan 0.000 0.545 91 A N 0.893 123.541 122.820 -0.286 0.000 2.287 91 A HA 0.530 4.850 4.320 0.000 0.000 0.317 91 A C -0.353 177.019 177.584 -0.354 0.000 1.220 91 A CA -0.538 50.945 52.037 -0.923 0.000 0.835 91 A CB 0.814 19.275 19.000 -0.898 0.000 1.180 91 A HN 0.622 nan 8.150 nan 0.000 0.500 92 E N 0.401 120.487 120.200 -0.190 0.000 2.392 92 E HA 0.699 5.049 4.350 0.000 0.000 0.269 92 E C -1.698 174.955 176.600 0.087 0.000 0.924 92 E CA -0.940 55.457 56.400 -0.004 0.000 0.784 92 E CB 2.714 32.437 29.700 0.038 0.000 1.292 92 E HN 0.485 nan 8.360 nan 0.000 0.447 93 V N 1.473 121.448 119.914 0.101 0.000 2.882 93 V HA 0.261 4.381 4.120 0.000 0.000 0.295 93 V C -1.769 174.457 176.094 0.221 0.000 1.273 93 V CA -0.575 61.829 62.300 0.173 0.000 0.949 93 V CB 2.031 33.971 31.823 0.195 0.000 1.071 93 V HN 0.432 nan 8.190 nan 0.000 0.432 94 V N 7.661 127.702 119.914 0.212 0.000 2.513 94 V HA 0.802 4.922 4.120 0.000 0.000 0.299 94 V C -0.433 175.854 176.094 0.322 0.000 1.035 94 V CA -0.350 62.054 62.300 0.174 0.000 0.889 94 V CB 1.449 33.336 31.823 0.106 0.000 0.988 94 V HN 0.924 nan 8.190 nan 0.000 0.440 95 F N 0.916 120.952 119.950 0.142 0.000 2.711 95 F HA 0.775 5.302 4.527 0.000 0.000 0.313 95 F C -0.469 175.412 175.800 0.134 0.000 1.141 95 F CA -0.953 57.121 58.000 0.124 0.000 0.941 95 F CB 1.451 40.515 39.000 0.106 0.000 1.349 95 F HN 0.241 nan 8.300 nan 0.000 0.464 96 T N 1.620 116.348 114.554 0.291 0.000 2.795 96 T HA 0.790 5.141 4.350 0.000 0.000 0.282 96 T C -0.423 174.424 174.700 0.244 0.000 0.980 96 T CA -0.231 61.966 62.100 0.161 0.000 1.012 96 T CB 1.241 70.181 68.868 0.120 0.000 0.936 96 T HN 0.947 nan 8.240 nan 0.000 0.457 97 A N 2.941 125.826 122.820 0.110 0.000 2.423 97 A HA 0.712 5.032 4.320 0.000 0.000 0.304 97 A C 0.376 177.928 177.584 -0.054 0.000 1.104 97 A CA -0.918 51.114 52.037 -0.008 0.000 0.757 97 A CB 0.578 19.305 19.000 -0.455 0.000 1.313 97 A HN 0.803 nan 8.150 nan 0.000 0.423 98 N N 0.534 119.249 118.700 0.025 0.000 2.696 98 N HA -0.189 4.551 4.740 0.000 0.000 0.249 98 N C 0.187 175.695 175.510 -0.004 0.000 1.090 98 N CA 1.315 54.350 53.050 -0.025 0.000 0.716 98 N CB -0.516 37.842 38.487 -0.216 0.000 1.020 98 N HN 0.809 nan 8.380 nan 0.000 0.548 99 D N -0.173 120.251 120.400 0.039 0.000 2.312 99 D HA 0.048 4.688 4.640 0.000 0.000 0.211 99 D C 0.021 176.335 176.300 0.023 0.000 0.964 99 D CA 0.922 54.939 54.000 0.027 0.000 0.877 99 D CB 0.175 41.001 40.800 0.045 0.000 0.924 99 D HN 0.259 nan 8.370 nan 0.000 0.515 100 S N -0.206 115.512 115.700 0.030 0.000 2.558 100 S HA 0.572 5.042 4.470 0.000 0.000 0.238 100 S C 0.100 174.711 174.600 0.017 0.000 1.183 100 S CA -0.102 58.111 58.200 0.021 0.000 1.185 100 S CB 0.893 64.106 63.200 0.023 0.000 1.003 100 S HN 0.473 nan 8.310 nan 0.000 0.478 101 G N 3.165 111.972 108.800 0.013 0.000 2.746 101 G HA2 -0.118 3.842 3.960 0.000 0.000 0.685 101 G HA3 -0.118 3.842 3.960 0.000 0.000 0.685 101 G C -3.239 171.672 174.900 0.017 0.000 1.350 101 G CA -1.271 43.836 45.100 0.012 0.000 0.837 101 G HN 0.215 nan 8.290 nan 0.000 0.564 102 P HA 0.350 nan 4.420 nan 0.000 0.267 102 P C -0.342 176.991 177.300 0.054 0.000 1.200 102 P CA 0.299 63.426 63.100 0.045 0.000 0.772 102 P CB 0.677 32.413 31.700 0.061 0.000 0.855 103 R N 1.695 122.256 120.500 0.102 0.000 2.710 103 R HA 0.445 4.786 4.340 0.000 0.000 0.270 103 R C -0.243 176.106 176.300 0.082 0.000 1.021 103 R CA -0.964 55.139 56.100 0.005 0.000 0.889 103 R CB 1.533 31.739 30.300 -0.157 0.000 1.243 103 R HN 0.449 nan 8.270 nan 0.000 0.464 104 R N 1.516 121.982 120.500 -0.058 0.000 2.346 104 R HA 0.440 4.780 4.340 0.000 0.000 0.311 104 R C -0.682 175.557 176.300 -0.102 0.000 0.983 104 R CA -0.584 55.551 56.100 0.059 0.000 0.880 104 R CB 0.304 30.626 30.300 0.036 0.000 1.100 104 R HN 0.463 nan 8.270 nan 0.000 0.453 105 Y N -0.178 120.181 120.300 0.098 0.000 2.429 105 Y HA 0.427 4.977 4.550 0.000 0.000 0.342 105 Y C 0.376 176.259 175.900 -0.028 0.000 1.004 105 Y CA -0.597 57.521 58.100 0.030 0.000 1.075 105 Y CB 2.303 40.805 38.460 0.070 0.000 1.214 105 Y HN 0.345 nan 8.280 nan 0.000 0.455 106 T N 4.701 119.299 114.554 0.072 0.000 2.906 106 T HA 0.515 4.866 4.350 0.000 0.000 0.302 106 T C -0.546 174.140 174.700 -0.023 0.000 1.002 106 T CA -0.456 61.648 62.100 0.006 0.000 0.988 106 T CB 0.195 69.055 68.868 -0.014 0.000 0.972 106 T HN 0.378 nan 8.240 nan 0.000 0.447 107 I N 3.148 123.694 120.570 -0.040 0.000 2.321 107 I HA 0.606 4.776 4.170 0.000 0.000 0.291 107 I C 0.357 176.443 176.117 -0.052 0.000 0.998 107 I CA -0.615 60.649 61.300 -0.060 0.000 1.227 107 I CB 1.107 39.076 38.000 -0.051 0.000 1.368 107 I HN 0.623 nan 8.210 nan 0.000 0.466 108 A N 5.691 128.486 122.820 -0.042 0.000 2.318 108 A HA 0.902 5.222 4.320 0.000 0.000 0.324 108 A C -0.517 177.056 177.584 -0.018 0.000 1.170 108 A CA -0.478 51.537 52.037 -0.036 0.000 0.810 108 A CB 1.227 20.211 19.000 -0.026 0.000 1.198 108 A HN 0.753 nan 8.150 nan 0.000 0.484 109 A N 1.784 124.588 122.820 -0.026 0.000 2.355 109 A HA 0.711 5.031 4.320 0.000 0.000 0.317 109 A C -1.192 176.401 177.584 0.014 0.000 1.094 109 A CA -0.461 51.576 52.037 -0.000 0.000 0.764 109 A CB 1.118 20.094 19.000 -0.040 0.000 1.230 109 A HN 1.413 nan 8.150 nan 0.000 0.448 110 L N 2.985 124.253 121.223 0.074 0.000 2.305 110 L HA 0.691 5.031 4.340 0.000 0.000 0.284 110 L C -1.155 175.822 176.870 0.179 0.000 1.013 110 L CA -0.228 54.673 54.840 0.101 0.000 0.819 110 L CB 0.959 43.077 42.059 0.099 0.000 1.227 110 L HN 0.615 nan 8.230 nan 0.000 0.417 111 L N 4.144 125.494 121.223 0.213 0.000 2.334 111 L HA 0.752 5.093 4.340 0.000 0.000 0.276 111 L C -0.131 177.105 176.870 0.609 0.000 1.014 111 L CA -0.420 54.662 54.840 0.402 0.000 0.815 111 L CB 1.844 44.107 42.059 0.340 0.000 1.268 111 L HN 0.584 nan 8.230 nan 0.000 0.428 112 S N 1.270 117.303 115.700 0.555 0.000 2.564 112 S HA 0.420 4.890 4.470 0.000 0.000 0.274 112 S C -2.120 172.442 174.600 -0.064 0.000 1.124 112 S CA -0.896 57.447 58.200 0.238 0.000 0.869 112 S CB 2.455 65.744 63.200 0.147 0.000 1.105 112 S HN 0.354 nan 8.310 nan 0.000 0.472 113 P HA -0.097 nan 4.420 nan 0.000 0.217 113 P C 0.071 177.258 177.300 -0.188 0.000 1.151 113 P CA 1.512 64.201 63.100 -0.684 0.000 0.849 113 P CB 0.049 31.447 31.700 -0.503 0.000 0.787 114 Y N -1.973 118.304 120.300 -0.039 0.000 2.660 114 Y HA 0.447 4.997 4.550 0.001 0.000 0.254 114 Y C 0.754 176.753 175.900 0.166 0.000 1.176 114 Y CA -0.123 58.000 58.100 0.039 0.000 1.195 114 Y CB 0.565 38.946 38.460 -0.132 0.000 1.190 114 Y HN -0.152 nan 8.280 nan 0.000 0.535 115 S N 0.079 115.975 115.700 0.327 0.000 2.567 115 S HA 0.685 5.155 4.470 0.000 0.000 0.270 115 S C -1.941 172.796 174.600 0.227 0.000 1.152 115 S CA -0.475 57.846 58.200 0.202 0.000 0.835 115 S CB 1.037 64.298 63.200 0.102 0.000 1.115 115 S HN 0.207 nan 8.310 nan 0.000 0.459 116 Y N -0.449 119.886 120.300 0.058 0.000 2.662 116 Y HA 0.778 5.328 4.550 0.000 0.000 0.334 116 Y C -0.984 174.926 175.900 0.017 0.000 1.185 116 Y CA -0.474 57.651 58.100 0.042 0.000 1.074 116 Y CB 0.652 39.116 38.460 0.007 0.000 1.330 116 Y HN 0.959 nan 8.280 nan 0.000 0.458 117 S N 0.755 116.623 115.700 0.280 0.000 2.595 117 S HA 0.851 5.322 4.470 0.000 0.000 0.281 117 S C -1.224 173.501 174.600 0.209 0.000 1.117 117 S CA -0.327 57.978 58.200 0.175 0.000 0.873 117 S CB 2.048 65.295 63.200 0.077 0.000 1.108 117 S HN 1.288 nan 8.310 nan 0.000 0.477 118 T N 0.969 115.613 114.554 0.151 0.000 2.916 118 T HA 0.727 5.077 4.350 0.000 0.000 0.298 118 T C -1.300 173.429 174.700 0.048 0.000 1.031 118 T CA -0.196 61.962 62.100 0.098 0.000 0.993 118 T CB 1.606 70.543 68.868 0.116 0.000 1.045 118 T HN 0.823 nan 8.240 nan 0.000 0.454 119 T N 2.864 117.426 114.554 0.013 0.000 2.909 119 T HA 0.793 5.143 4.350 0.000 0.000 0.299 119 T C -0.910 173.763 174.700 -0.045 0.000 1.073 119 T CA -0.680 61.414 62.100 -0.010 0.000 0.999 119 T CB 1.647 70.513 68.868 -0.003 0.000 1.098 119 T HN 0.920 nan 8.240 nan 0.000 0.477 120 A N 1.785 124.565 122.820 -0.065 0.000 2.342 120 A HA 0.793 5.114 4.320 0.000 0.000 0.323 120 A C -0.783 176.761 177.584 -0.066 0.000 1.125 120 A CA -0.655 51.325 52.037 -0.095 0.000 0.785 120 A CB 0.972 19.869 19.000 -0.173 0.000 1.221 120 A HN 0.669 nan 8.150 nan 0.000 0.463 121 V N 3.473 123.348 119.914 -0.064 0.000 2.350 121 V HA 0.456 4.577 4.120 0.000 0.000 0.285 121 V C 0.004 176.020 176.094 -0.131 0.000 1.014 121 V CA -0.569 61.687 62.300 -0.073 0.000 0.831 121 V CB 1.168 32.961 31.823 -0.051 0.000 1.000 121 V HN 0.983 nan 8.190 nan 0.000 0.433 122 V N 3.393 123.194 119.914 -0.188 0.000 2.394 122 V HA 0.817 4.938 4.120 0.000 0.000 0.282 122 V C 0.426 176.369 176.094 -0.253 0.000 1.031 122 V CA 0.301 62.382 62.300 -0.366 0.000 0.881 122 V CB 0.741 32.282 31.823 -0.471 0.000 0.982 122 V HN 1.278 nan 8.190 nan 0.000 0.451 123 T N 0.000 114.402 114.554 -0.254 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.017 62.100 -0.138 0.000 1.349 123 T CB 0.000 68.797 68.868 -0.119 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658