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 2af6_1_D DATA FIRST_RESID 3 DATA SEQUENCE ETAPLRVQLI AKTDFLAPPD VPWTTDADGG PALVEFAGRA CYQSWSKPNP DATA SEQUENCE KTATNAGYLR HIXDVGHFSV LEHASVSFYI TGISRSCTHE LIRHRHFSYS DATA SEQUENCE QLSQRYVPEK DSRVVVPPGX EDDADLRHIL TEAADAARAT YSELLAKLEA DATA SEQUENCE KFADQPNAIL RRKQARQAAR AVXPNATETR IVVTGNYRAW RHFIAXRASE DATA SEQUENCE HADVEIRRLA IECLRQLAAV APAVFADFEV TTLADGTEVA TS 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.589 176.600 -0.018 0.000 1.382 3 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 3 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 4 T N 0.506 115.051 114.554 -0.014 0.000 2.902 4 T HA 0.871 5.222 4.350 0.001 0.000 0.280 4 T C 0.075 174.764 174.700 -0.018 0.000 0.992 4 T CA -0.362 61.728 62.100 -0.017 0.000 1.015 4 T CB 1.763 70.623 68.868 -0.014 0.000 1.044 4 T HN 0.462 nan 8.240 nan 0.000 0.520 5 A N 2.483 125.289 122.820 -0.023 0.000 2.359 5 A HA 0.763 5.083 4.320 0.001 0.000 0.303 5 A C -2.748 174.818 177.584 -0.030 0.000 1.066 5 A CA -1.805 50.217 52.037 -0.026 0.000 0.730 5 A CB 0.984 19.965 19.000 -0.031 0.000 1.211 5 A HN 0.761 nan 8.150 nan 0.000 0.439 6 P HA 0.373 nan 4.420 nan 0.000 0.281 6 P C -0.354 176.919 177.300 -0.045 0.000 1.249 6 P CA -0.539 62.542 63.100 -0.033 0.000 0.810 6 P CB 0.943 32.626 31.700 -0.027 0.000 1.008 7 L N 2.677 123.870 121.223 -0.049 0.000 2.540 7 L HA 0.147 4.488 4.340 0.001 0.000 0.276 7 L C 0.375 177.204 176.870 -0.069 0.000 1.212 7 L CA 0.787 55.589 54.840 -0.064 0.000 0.893 7 L CB -0.440 41.582 42.059 -0.062 0.000 1.138 7 L HN 0.432 nan 8.230 nan 0.000 0.491 8 R N 3.701 124.148 120.500 -0.088 0.000 2.532 8 R HA 0.671 5.011 4.340 0.001 0.000 0.297 8 R C -1.876 174.360 176.300 -0.105 0.000 0.984 8 R CA -0.682 55.369 56.100 -0.083 0.000 0.884 8 R CB 1.576 31.837 30.300 -0.066 0.000 1.182 8 R HN 0.530 nan 8.270 nan 0.000 0.442 9 V N 4.944 124.801 119.914 -0.095 0.000 2.357 9 V HA 0.359 4.480 4.120 0.001 0.000 0.284 9 V C -0.530 175.573 176.094 0.014 0.000 1.018 9 V CA -0.642 61.592 62.300 -0.111 0.000 0.841 9 V CB 1.515 33.167 31.823 -0.284 0.000 0.991 9 V HN 0.759 nan 8.190 nan 0.000 0.437 10 Q N 3.926 123.812 119.800 0.143 0.000 2.331 10 Q HA 0.544 4.884 4.340 0.001 0.000 0.267 10 Q C -0.806 175.405 176.000 0.351 0.000 1.006 10 Q CA -0.664 55.267 55.803 0.213 0.000 0.818 10 Q CB 3.087 31.941 28.738 0.193 0.000 1.276 10 Q HN 0.679 nan 8.270 nan 0.000 0.450 11 L N 5.111 126.509 121.223 0.291 0.000 2.369 11 L HA 0.207 4.548 4.340 0.001 0.000 0.279 11 L C 0.580 177.457 176.870 0.012 0.000 1.108 11 L CA 0.223 55.108 54.840 0.075 0.000 0.852 11 L CB 0.308 42.356 42.059 -0.017 0.000 1.169 11 L HN 0.795 nan 8.230 nan 0.000 0.452 12 I N 2.028 122.582 120.570 -0.026 0.000 4.181 12 I HA 0.585 4.755 4.170 0.001 0.000 0.331 12 I C 0.352 176.455 176.117 -0.024 0.000 1.312 12 I CA -0.100 61.205 61.300 0.008 0.000 1.146 12 I CB 0.488 38.520 38.000 0.054 0.000 1.074 12 I HN 0.522 nan 8.210 nan 0.000 0.402 13 A N 1.904 124.682 122.820 -0.069 0.000 2.604 13 A HA 0.788 5.108 4.320 0.001 0.000 0.295 13 A C -1.104 176.442 177.584 -0.063 0.000 1.067 13 A CA -0.619 51.392 52.037 -0.044 0.000 0.683 13 A CB 1.553 20.544 19.000 -0.014 0.000 1.281 13 A HN 0.347 nan 8.150 nan 0.000 0.407 14 K N -0.181 120.208 120.400 -0.019 0.000 2.578 14 K HA 0.657 4.978 4.320 0.001 0.000 0.287 14 K C -1.036 175.583 176.600 0.031 0.000 1.010 14 K CA -0.730 55.560 56.287 0.006 0.000 0.889 14 K CB 1.069 33.578 32.500 0.015 0.000 1.514 14 K HN 0.415 nan 8.250 nan 0.000 0.424 15 T N 1.513 116.094 114.554 0.045 0.000 2.888 15 T HA 0.028 4.379 4.350 0.001 0.000 0.301 15 T C -0.723 174.032 174.700 0.091 0.000 1.001 15 T CA 0.447 62.581 62.100 0.057 0.000 1.147 15 T CB 0.328 69.218 68.868 0.037 0.000 0.931 15 T HN 0.497 nan 8.240 nan 0.000 0.541 16 D N 2.008 122.462 120.400 0.090 0.000 2.280 16 D HA 0.348 4.989 4.640 0.001 0.000 0.236 16 D C -1.173 175.220 176.300 0.155 0.000 1.082 16 D CA -0.662 53.399 54.000 0.101 0.000 0.834 16 D CB 0.409 41.238 40.800 0.050 0.000 1.100 16 D HN 0.283 nan 8.370 nan 0.000 0.486 17 F N 4.424 124.382 119.950 0.013 0.000 2.458 17 F HA 0.548 5.075 4.527 0.001 0.000 0.336 17 F C -1.633 174.158 175.800 -0.016 0.000 1.114 17 F CA -1.150 56.850 58.000 0.000 0.000 0.987 17 F CB 1.119 40.145 39.000 0.043 0.000 1.130 17 F HN 0.310 nan 8.300 nan 0.000 0.458 18 L N 6.272 127.016 121.223 -0.800 0.000 2.377 18 L HA 0.721 5.061 4.340 0.001 0.000 0.270 18 L C -0.517 175.688 176.870 -1.109 0.000 0.991 18 L CA -0.464 53.929 54.840 -0.746 0.000 0.851 18 L CB 1.101 42.940 42.059 -0.366 0.000 1.218 18 L HN 0.827 nan 8.230 nan 0.000 0.420 19 A N 6.724 128.912 122.820 -1.054 0.000 2.511 19 A HA 0.446 4.766 4.320 0.001 0.000 0.242 19 A C -2.274 175.074 177.584 -0.394 0.000 1.069 19 A CA -0.751 50.902 52.037 -0.639 0.000 0.763 19 A CB -0.665 18.358 19.000 0.039 0.000 1.001 19 A HN 0.533 nan 8.150 nan 0.000 0.498 20 P HA 0.221 nan 4.420 nan 0.000 0.276 20 P C -2.173 175.048 177.300 -0.133 0.000 1.230 20 P CA -1.306 61.650 63.100 -0.240 0.000 0.776 20 P CB 0.396 31.964 31.700 -0.220 0.000 0.888 21 P HA -0.133 nan 4.420 nan 0.000 0.215 21 P C 0.549 177.812 177.300 -0.061 0.000 1.157 21 P CA 1.531 64.586 63.100 -0.075 0.000 0.868 21 P CB 0.028 31.687 31.700 -0.069 0.000 0.788 22 D N -0.801 119.560 120.400 -0.066 0.000 2.352 22 D HA 0.076 4.716 4.640 0.001 0.000 0.236 22 D C -0.206 176.035 176.300 -0.099 0.000 1.148 22 D CA 0.268 54.232 54.000 -0.061 0.000 0.844 22 D CB 0.127 40.901 40.800 -0.044 0.000 0.933 22 D HN 0.037 nan 8.370 nan 0.000 0.507 23 V N 3.102 122.931 119.914 -0.142 0.000 2.370 23 V HA 0.191 4.312 4.120 0.001 0.000 0.283 23 V C -1.953 174.035 176.094 -0.176 0.000 1.023 23 V CA -1.438 60.672 62.300 -0.317 0.000 0.857 23 V CB 1.914 33.438 31.823 -0.497 0.000 0.985 23 V HN -0.034 nan 8.190 nan 0.000 0.443 24 P HA 0.135 nan 4.420 nan 0.000 0.237 24 P C -0.908 176.517 177.300 0.207 0.000 1.788 24 P CA 0.106 63.231 63.100 0.041 0.000 1.061 24 P CB -0.262 31.483 31.700 0.075 0.000 1.967 25 W N 2.703 123.984 121.300 -0.031 0.000 3.372 25 W HA 0.473 5.134 4.660 0.002 0.000 0.315 25 W C -1.391 175.175 176.519 0.079 0.000 1.223 25 W CA -0.107 57.285 57.345 0.079 0.000 1.202 25 W CB 1.678 31.244 29.460 0.177 0.000 1.367 25 W HN 0.136 nan 8.180 nan 0.000 0.531 26 T N 1.502 115.567 114.554 -0.815 0.000 2.841 26 T HA 0.836 5.186 4.350 0.001 0.000 0.296 26 T C -1.050 172.939 174.700 -1.185 0.000 1.166 26 T CA -0.676 60.840 62.100 -0.973 0.000 1.007 26 T CB 1.968 70.597 68.868 -0.400 0.000 1.253 26 T HN 0.587 nan 8.240 nan 0.000 0.511 27 T N -0.104 113.973 114.554 -0.795 0.000 2.792 27 T HA 0.422 4.773 4.350 0.001 0.000 0.303 27 T C -1.264 173.330 174.700 -0.177 0.000 1.310 27 T CA -0.523 61.328 62.100 -0.414 0.000 1.007 27 T CB 1.533 70.242 68.868 -0.266 0.000 1.335 27 T HN 0.844 nan 8.240 nan 0.000 0.504 28 D N 1.299 121.656 120.400 -0.071 0.000 3.038 28 D HA 0.501 5.142 4.640 0.001 0.000 0.243 28 D C 0.087 176.399 176.300 0.020 0.000 1.245 28 D CA -0.358 53.629 54.000 -0.022 0.000 0.871 28 D CB -0.224 40.575 40.800 -0.003 0.000 1.089 28 D HN 0.660 nan 8.370 nan 0.000 0.464 29 A N -0.249 122.589 122.820 0.030 0.000 2.581 29 A HA 0.590 4.911 4.320 0.001 0.000 0.290 29 A C -1.768 175.878 177.584 0.104 0.000 1.119 29 A CA -0.805 51.277 52.037 0.075 0.000 0.670 29 A CB 2.030 21.091 19.000 0.101 0.000 1.280 29 A HN 0.114 nan 8.150 nan 0.000 0.425 30 D N -1.880 118.595 120.400 0.126 0.000 2.592 30 D HA 0.642 5.282 4.640 0.001 0.000 0.263 30 D C 0.850 177.255 176.300 0.175 0.000 1.132 30 D CA 1.082 55.181 54.000 0.164 0.000 0.996 30 D CB 1.797 42.670 40.800 0.122 0.000 1.442 30 D HN 1.723 nan 8.370 nan 0.000 0.486 31 G N 0.202 109.136 108.800 0.223 0.000 2.594 31 G HA2 -0.277 3.683 3.960 0.001 0.000 0.297 31 G HA3 -0.277 3.683 3.960 0.001 0.000 0.297 31 G C 1.116 176.104 174.900 0.146 0.000 1.273 31 G CA 1.013 46.233 45.100 0.199 0.000 0.974 31 G HN 0.919 nan 8.290 nan 0.000 0.552 32 G N 0.800 109.693 108.800 0.156 0.000 2.553 32 G HA2 -0.046 3.915 3.960 0.001 0.000 0.218 32 G HA3 -0.046 3.915 3.960 0.001 0.000 0.218 32 G C 0.214 175.225 174.900 0.184 0.000 1.195 32 G CA 2.396 47.575 45.100 0.132 0.000 0.779 32 G HN 0.705 nan 8.290 nan 0.000 0.577 33 P HA -0.074 nan 4.420 nan 0.000 0.216 33 P C 2.184 179.559 177.300 0.124 0.000 1.153 33 P CA 2.088 65.336 63.100 0.248 0.000 0.858 33 P CB -0.187 31.642 31.700 0.215 0.000 0.789 34 A N -0.702 122.130 122.820 0.020 0.000 1.902 34 A HA -0.178 4.142 4.320 0.001 0.000 0.217 34 A C 2.131 179.396 177.584 -0.532 0.000 1.181 34 A CA 1.483 53.450 52.037 -0.117 0.000 0.623 34 A CB -1.668 17.283 19.000 -0.081 0.000 0.818 34 A HN 0.167 nan 8.150 nan 0.000 0.443 35 L N 0.017 120.793 121.223 -0.745 0.000 2.042 35 L HA -0.117 4.223 4.340 0.001 0.000 0.210 35 L C 2.353 179.135 176.870 -0.146 0.000 1.076 35 L CA 1.979 56.434 54.840 -0.642 0.000 0.749 35 L CB -0.612 41.322 42.059 -0.208 0.000 0.893 35 L HN 0.143 nan 8.230 nan 0.000 0.432 36 V N -0.012 119.905 119.914 0.005 0.000 2.343 36 V HA -0.316 3.804 4.120 0.001 0.000 0.247 36 V C 2.620 178.811 176.094 0.162 0.000 1.051 36 V CA 2.063 64.450 62.300 0.146 0.000 1.036 36 V CB -0.675 31.289 31.823 0.235 0.000 0.654 36 V HN 0.657 nan 8.190 nan 0.000 0.451 37 E N -0.325 119.964 120.200 0.149 0.000 2.047 37 E HA -0.268 4.083 4.350 0.001 0.000 0.191 37 E C 2.134 178.638 176.600 -0.160 0.000 0.987 37 E CA 1.582 58.035 56.400 0.089 0.000 0.799 37 E CB -0.273 29.529 29.700 0.169 0.000 0.752 37 E HN 0.548 nan 8.360 nan 0.000 0.449 38 F N 1.257 120.993 119.950 -0.357 0.000 2.091 38 F HA -0.226 4.301 4.527 0.001 0.000 0.299 38 F C 2.106 177.775 175.800 -0.218 0.000 1.103 38 F CA 1.985 59.666 58.000 -0.531 0.000 1.228 38 F CB -0.504 38.245 39.000 -0.418 0.000 0.984 38 F HN 0.124 nan 8.300 nan 0.000 0.477 39 A N 0.238 123.031 122.820 -0.044 0.000 1.902 39 A HA -0.030 4.291 4.320 0.001 0.000 0.217 39 A C 2.479 180.000 177.584 -0.105 0.000 1.181 39 A CA 1.608 53.580 52.037 -0.109 0.000 0.623 39 A CB -1.821 17.088 19.000 -0.152 0.000 0.818 39 A HN 0.530 nan 8.150 nan 0.000 0.443 40 G N -0.554 108.259 108.800 0.021 0.000 2.418 40 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 40 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 40 G C 1.765 176.704 174.900 0.066 0.000 1.158 40 G CA 0.879 46.074 45.100 0.159 0.000 0.771 40 G HN 0.559 nan 8.290 nan 0.000 0.545 41 R N 0.417 120.776 120.500 -0.234 0.000 2.115 41 R HA 0.088 4.429 4.340 0.001 0.000 0.230 41 R C 2.960 178.732 176.300 -0.880 0.000 1.111 41 R CA 0.865 56.633 56.100 -0.553 0.000 0.976 41 R CB -0.302 29.495 30.300 -0.839 0.000 0.870 41 R HN 0.349 nan 8.270 nan 0.000 0.445 42 A N 0.658 123.015 122.820 -0.772 0.000 2.019 42 A HA -0.171 4.150 4.320 0.001 0.000 0.219 42 A C 2.278 179.640 177.584 -0.370 0.000 1.164 42 A CA 1.261 52.956 52.037 -0.569 0.000 0.644 42 A CB -0.671 18.139 19.000 -0.316 0.000 0.805 42 A HN 0.431 nan 8.150 nan 0.000 0.449 43 C N -2.584 116.531 119.300 -0.309 0.000 2.422 43 C HA -0.062 4.398 4.460 0.001 0.000 0.279 43 C C 2.070 176.771 174.990 -0.481 0.000 1.305 43 C CA 0.839 59.637 59.018 -0.366 0.000 1.757 43 C CB -1.520 25.962 27.740 -0.431 0.000 1.962 43 C HN 0.732 nan 8.230 nan 0.000 0.499 44 Y N -0.925 119.187 120.300 -0.313 0.000 2.444 44 Y HA 0.132 4.682 4.550 0.001 0.000 0.249 44 Y C 1.123 176.789 175.900 -0.390 0.000 1.134 44 Y CA -0.053 57.879 58.100 -0.281 0.000 1.261 44 Y CB -0.166 38.159 38.460 -0.225 0.000 1.143 44 Y HN 0.148 nan 8.280 nan 0.000 0.523 45 Q N 0.507 120.013 119.800 -0.488 0.000 2.434 45 Q HA -0.198 4.143 4.340 0.001 0.000 0.299 45 Q C 0.175 175.631 176.000 -0.907 0.000 1.286 45 Q CA 1.154 56.457 55.803 -0.834 0.000 0.872 45 Q CB -2.184 26.372 28.738 -0.304 0.000 1.193 45 Q HN 0.506 nan 8.270 nan 0.000 0.466 46 S N -2.444 112.760 115.700 -0.827 0.000 3.700 46 S HA 0.304 4.774 4.470 0.001 0.000 0.192 46 S C 0.734 175.120 174.600 -0.357 0.000 1.430 46 S CA -0.833 57.108 58.200 -0.432 0.000 0.999 46 S CB -0.473 62.577 63.200 -0.250 0.000 1.411 46 S HN 0.419 nan 8.310 nan 0.000 0.491 47 W N 2.138 123.436 121.300 -0.004 0.000 2.436 47 W HA 0.020 4.680 4.660 0.000 0.000 0.284 47 W C 1.462 178.098 176.519 0.194 0.000 1.225 47 W CA 0.026 57.419 57.345 0.080 0.000 1.271 47 W CB -0.226 29.290 29.460 0.094 0.000 1.114 47 W HN 0.616 nan 8.180 nan 0.000 0.559 48 S N 1.154 117.035 115.700 0.301 0.000 2.603 48 S HA 0.313 4.783 4.470 0.001 0.000 0.268 48 S C -0.162 174.527 174.600 0.148 0.000 1.317 48 S CA -0.617 57.705 58.200 0.202 0.000 1.012 48 S CB 1.116 64.395 63.200 0.133 0.000 0.926 48 S HN 0.102 nan 8.310 nan 0.000 0.539 49 K N 1.827 122.295 120.400 0.113 0.000 2.533 49 K HA 0.296 4.617 4.320 0.001 0.000 0.207 49 K C -2.096 174.532 176.600 0.047 0.000 1.052 49 K CA -1.569 54.768 56.287 0.084 0.000 1.030 49 K CB 0.809 33.361 32.500 0.087 0.000 1.522 49 K HN 0.470 nan 8.250 nan 0.000 0.543 50 P HA -0.114 nan 4.420 nan 0.000 0.220 50 P C -0.083 177.218 177.300 0.002 0.000 1.152 50 P CA 0.692 63.800 63.100 0.014 0.000 0.812 50 P CB 0.228 31.929 31.700 0.003 0.000 0.792 51 N N 0.256 118.954 118.700 -0.003 0.000 2.420 51 N HA 0.104 4.844 4.740 0.001 0.000 0.249 51 N C -1.893 173.615 175.510 -0.003 0.000 1.033 51 N CA -2.145 50.894 53.050 -0.019 0.000 0.944 51 N CB 0.973 39.429 38.487 -0.050 0.000 1.113 51 N HN -0.123 nan 8.380 nan 0.000 0.502 52 P HA -0.053 nan 4.420 nan 0.000 0.225 52 P C 0.981 178.284 177.300 0.005 0.000 1.148 52 P CA 1.244 64.346 63.100 0.003 0.000 0.779 52 P CB 0.292 31.991 31.700 -0.001 0.000 0.780 53 K N -0.245 120.149 120.400 -0.010 0.000 2.044 53 K HA -0.019 4.301 4.320 0.001 0.000 0.204 53 K C 1.841 178.448 176.600 0.011 0.000 1.049 53 K CA 1.988 58.267 56.287 -0.013 0.000 0.945 53 K CB -1.965 30.506 32.500 -0.048 0.000 0.724 53 K HN 0.382 nan 8.250 nan 0.000 0.440 54 T N -2.749 111.816 114.554 0.018 0.000 3.163 54 T HA 0.531 4.882 4.350 0.001 0.000 0.252 54 T C 1.725 176.523 174.700 0.163 0.000 1.056 54 T CA 0.533 62.699 62.100 0.111 0.000 0.947 54 T CB 0.458 69.397 68.868 0.118 0.000 1.016 54 T HN 0.332 nan 8.240 nan 0.000 0.554 55 A N 1.792 124.666 122.820 0.091 0.000 2.235 55 A HA 0.281 4.602 4.320 0.001 0.000 0.208 55 A C 1.481 179.109 177.584 0.073 0.000 1.172 55 A CA 0.531 52.615 52.037 0.078 0.000 0.786 55 A CB -0.678 18.349 19.000 0.044 0.000 0.804 55 A HN 0.688 nan 8.150 nan 0.000 0.479 56 T N -4.243 110.365 114.554 0.090 0.000 2.925 56 T HA 0.358 4.708 4.350 0.001 0.000 0.285 56 T C 0.653 175.440 174.700 0.145 0.000 1.021 56 T CA -0.144 62.009 62.100 0.087 0.000 1.042 56 T CB 1.321 70.230 68.868 0.068 0.000 1.037 56 T HN 0.159 nan 8.240 nan 0.000 0.481 57 N N 1.314 120.096 118.700 0.136 0.000 2.120 57 N HA -0.089 4.652 4.740 0.001 0.000 0.188 57 N C 2.144 177.772 175.510 0.196 0.000 1.024 57 N CA 1.778 54.942 53.050 0.190 0.000 0.852 57 N CB -0.536 38.045 38.487 0.156 0.000 1.003 57 N HN 0.794 nan 8.380 nan 0.000 0.424 58 A N -0.333 122.569 122.820 0.137 0.000 1.902 58 A HA 0.018 4.339 4.320 0.001 0.000 0.217 58 A C 2.298 179.948 177.584 0.109 0.000 1.181 58 A CA 1.763 53.868 52.037 0.113 0.000 0.623 58 A CB -1.429 17.621 19.000 0.083 0.000 0.818 58 A HN 0.465 nan 8.150 nan 0.000 0.443 59 G N -2.084 106.782 108.800 0.111 0.000 2.408 59 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 59 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 59 G C 1.539 176.513 174.900 0.123 0.000 1.150 59 G CA 1.186 46.342 45.100 0.093 0.000 0.776 59 G HN 0.555 nan 8.290 nan 0.000 0.542 60 Y N 1.106 121.454 120.300 0.079 0.000 2.200 60 Y HA 0.009 4.559 4.550 0.001 0.000 0.290 60 Y C 2.607 178.571 175.900 0.107 0.000 1.137 60 Y CA 1.233 59.396 58.100 0.105 0.000 1.163 60 Y CB -0.089 38.449 38.460 0.128 0.000 0.988 60 Y HN 0.092 nan 8.280 nan 0.000 0.518 61 L N -0.525 120.796 121.223 0.163 0.000 2.056 61 L HA -0.203 4.137 4.340 0.001 0.000 0.207 61 L C 2.913 179.770 176.870 -0.022 0.000 1.078 61 L CA 1.458 56.347 54.840 0.081 0.000 0.749 61 L CB -1.082 41.059 42.059 0.136 0.000 0.901 61 L HN 0.180 nan 8.230 nan 0.000 0.433 62 R N -0.551 119.949 120.500 -0.000 0.000 2.120 62 R HA -0.213 4.128 4.340 0.001 0.000 0.234 62 R C 2.021 178.279 176.300 -0.069 0.000 1.123 62 R CA 1.780 57.864 56.100 -0.027 0.000 0.975 62 R CB -1.884 28.418 30.300 0.003 0.000 0.866 62 R HN 0.576 nan 8.270 nan 0.000 0.446 63 H N -0.362 118.584 119.070 -0.206 0.000 2.363 63 H HA 0.152 4.708 4.556 0.001 0.000 0.301 63 H C 0.777 175.879 175.328 -0.376 0.000 1.074 63 H CA 0.750 56.626 56.048 -0.287 0.000 1.354 63 H CB -0.081 29.482 29.762 -0.332 0.000 1.397 63 H HN 0.403 nan 8.280 nan 0.000 0.516 67 V N 0.768 120.336 119.914 -0.577 0.000 3.623 67 V HA 0.390 4.511 4.120 0.001 0.000 0.271 67 V C 1.321 177.020 176.094 -0.659 0.000 1.248 67 V CA 1.867 63.781 62.300 -0.643 0.000 1.156 67 V CB -0.069 31.215 31.823 -0.897 0.000 0.870 67 V HN 0.557 nan 8.190 nan 0.000 0.453 68 G N 0.188 108.559 108.800 -0.716 0.000 2.132 68 G HA2 -0.276 3.685 3.960 0.001 0.000 0.234 68 G HA3 -0.276 3.685 3.960 0.001 0.000 0.234 68 G C 0.129 174.644 174.900 -0.642 0.000 0.989 68 G CA 0.358 45.026 45.100 -0.720 0.000 0.676 68 G HN 0.687 nan 8.290 nan 0.000 0.522 69 H N -0.312 118.360 119.070 -0.663 0.000 2.768 69 H HA 0.360 4.917 4.556 0.001 0.000 0.228 69 H C 1.310 176.462 175.328 -0.292 0.000 1.812 69 H CA -0.657 55.175 56.048 -0.360 0.000 1.273 69 H CB -0.265 29.351 29.762 -0.244 0.000 1.631 69 H HN 0.433 nan 8.280 nan 0.000 0.526 70 F N 0.283 120.273 119.950 0.067 0.000 2.502 70 F HA -0.191 4.336 4.527 0.001 0.000 0.298 70 F C 2.660 178.468 175.800 0.013 0.000 1.111 70 F CA 0.563 58.580 58.000 0.029 0.000 1.445 70 F CB 0.146 39.152 39.000 0.010 0.000 1.081 70 F HN 0.418 nan 8.300 nan 0.000 0.558 71 S N -0.142 115.640 115.700 0.137 0.000 2.419 71 S HA -0.133 4.337 4.470 0.001 0.000 0.233 71 S C 1.885 176.489 174.600 0.005 0.000 1.016 71 S CA 1.241 59.461 58.200 0.033 0.000 0.974 71 S CB -1.047 62.146 63.200 -0.011 0.000 0.786 71 S HN 0.180 nan 8.310 nan 0.000 0.492 72 V N 2.045 122.007 119.914 0.080 0.000 2.626 72 V HA -0.048 4.073 4.120 0.001 0.000 0.252 72 V C 2.379 178.585 176.094 0.187 0.000 1.067 72 V CA 1.359 63.761 62.300 0.170 0.000 1.081 72 V CB -0.979 30.955 31.823 0.184 0.000 0.686 72 V HN 0.511 nan 8.190 nan 0.000 0.468 73 L N -0.116 121.202 121.223 0.159 0.000 2.362 73 L HA -0.125 4.216 4.340 0.001 0.000 0.219 73 L C 2.359 179.282 176.870 0.088 0.000 1.134 73 L CA 1.167 56.131 54.840 0.206 0.000 0.807 73 L CB -0.597 41.627 42.059 0.275 0.000 0.927 73 L HN 0.424 nan 8.230 nan 0.000 0.447 74 E N -0.967 119.198 120.200 -0.057 0.000 2.347 74 E HA -0.146 4.204 4.350 0.001 0.000 0.196 74 E C 1.788 178.257 176.600 -0.219 0.000 1.008 74 E CA 0.341 56.640 56.400 -0.168 0.000 0.852 74 E CB 0.028 29.574 29.700 -0.257 0.000 0.783 74 E HN 0.581 nan 8.360 nan 0.000 0.505 75 H N 0.220 119.275 119.070 -0.025 0.000 2.457 75 H HA 0.113 4.669 4.556 0.001 0.000 0.294 75 H C 0.730 175.998 175.328 -0.099 0.000 1.064 75 H CA 0.880 56.909 56.048 -0.032 0.000 1.330 75 H CB 0.111 29.882 29.762 0.016 0.000 1.395 75 H HN 0.059 nan 8.280 nan 0.000 0.541 76 A N 1.312 124.039 122.820 -0.155 0.000 2.312 76 A HA 0.523 4.844 4.320 0.001 0.000 0.326 76 A C 0.138 177.466 177.584 -0.426 0.000 1.172 76 A CA -0.253 51.545 52.037 -0.398 0.000 0.821 76 A CB 1.011 19.502 19.000 -0.848 0.000 1.166 76 A HN 0.300 nan 8.150 nan 0.000 0.493 77 S N 0.043 115.624 115.700 -0.199 0.000 2.627 77 S HA 0.846 5.316 4.470 0.001 0.000 0.283 77 S C -1.048 173.619 174.600 0.112 0.000 1.127 77 S CA -0.669 57.547 58.200 0.027 0.000 0.863 77 S CB 1.600 64.826 63.200 0.044 0.000 1.121 77 S HN 1.088 nan 8.310 nan 0.000 0.479 78 V N 1.121 121.181 119.914 0.243 0.000 2.808 78 V HA 0.673 4.794 4.120 0.001 0.000 0.308 78 V C -0.753 175.393 176.094 0.088 0.000 1.099 78 V CA -0.573 61.755 62.300 0.046 0.000 0.920 78 V CB 2.321 34.035 31.823 -0.182 0.000 1.014 78 V HN 1.034 nan 8.190 nan 0.000 0.425 79 S N 3.647 119.274 115.700 -0.121 0.000 2.482 79 S HA 0.833 5.304 4.470 0.001 0.000 0.303 79 S C -1.028 173.418 174.600 -0.256 0.000 1.091 79 S CA -0.384 57.800 58.200 -0.028 0.000 1.057 79 S CB 1.247 64.474 63.200 0.046 0.000 1.031 79 S HN 0.454 nan 8.310 nan 0.000 0.485 80 F N 1.537 121.608 119.950 0.201 0.000 2.546 80 F HA 0.456 4.984 4.527 0.001 0.000 0.320 80 F C -0.525 175.406 175.800 0.218 0.000 1.076 80 F CA -1.014 57.071 58.000 0.142 0.000 0.928 80 F CB 1.148 40.193 39.000 0.074 0.000 1.189 80 F HN 0.530 nan 8.300 nan 0.000 0.465 81 Y N 3.849 124.302 120.300 0.254 0.000 2.335 81 Y HA 0.668 5.218 4.550 0.001 0.000 0.339 81 Y C -0.993 174.989 175.900 0.137 0.000 0.987 81 Y CA -1.603 56.595 58.100 0.163 0.000 1.140 81 Y CB 0.551 39.076 38.460 0.109 0.000 1.173 81 Y HN 0.412 nan 8.280 nan 0.000 0.486 82 I N 6.583 127.039 120.570 -0.189 0.000 2.406 82 I HA 0.422 4.593 4.170 0.001 0.000 0.290 82 I C -0.141 175.737 176.117 -0.398 0.000 0.999 82 I CA -0.473 60.689 61.300 -0.230 0.000 1.124 82 I CB 1.906 39.860 38.000 -0.077 0.000 1.289 82 I HN 0.685 nan 8.210 nan 0.000 0.441 83 T N 0.811 115.153 114.554 -0.352 0.000 2.907 83 T HA 0.671 5.021 4.350 0.001 0.000 0.290 83 T C 0.668 175.278 174.700 -0.149 0.000 1.066 83 T CA -0.283 61.651 62.100 -0.276 0.000 1.012 83 T CB 1.718 70.413 68.868 -0.288 0.000 1.184 83 T HN 1.033 nan 8.240 nan 0.000 0.522 84 G N 0.351 109.089 108.800 -0.103 0.000 2.221 84 G HA2 -0.195 3.765 3.960 0.001 0.000 0.265 84 G HA3 -0.195 3.765 3.960 0.001 0.000 0.265 84 G C -0.187 174.676 174.900 -0.061 0.000 1.041 84 G CA 0.402 45.460 45.100 -0.070 0.000 0.807 84 G HN 1.170 nan 8.290 nan 0.000 0.502 85 I N 0.775 121.308 120.570 -0.062 0.000 2.530 85 I HA 0.693 4.864 4.170 0.001 0.000 0.297 85 I C 0.721 176.818 176.117 -0.034 0.000 1.011 85 I CA -0.411 60.862 61.300 -0.045 0.000 1.107 85 I CB 1.665 39.637 38.000 -0.046 0.000 1.285 85 I HN 0.348 nan 8.210 nan 0.000 0.436 86 S N 6.555 122.241 115.700 -0.023 0.000 2.652 86 S HA 0.408 4.879 4.470 0.001 0.000 0.270 86 S C 1.144 175.738 174.600 -0.010 0.000 1.243 86 S CA -0.637 57.552 58.200 -0.018 0.000 0.999 86 S CB 1.639 64.830 63.200 -0.015 0.000 0.973 86 S HN 0.744 nan 8.310 nan 0.000 0.544 87 R N 0.970 121.466 120.500 -0.007 0.000 2.117 87 R HA -0.107 4.234 4.340 0.001 0.000 0.243 87 R C 2.559 178.882 176.300 0.038 0.000 1.143 87 R CA 1.852 57.957 56.100 0.008 0.000 0.968 87 R CB -1.143 29.163 30.300 0.010 0.000 0.863 87 R HN 0.932 nan 8.270 nan 0.000 0.444 88 S N -0.608 115.107 115.700 0.026 0.000 2.406 88 S HA -0.132 4.338 4.470 0.001 0.000 0.228 88 S C 2.376 176.998 174.600 0.038 0.000 1.020 88 S CA 0.962 59.178 58.200 0.027 0.000 0.965 88 S CB -0.697 62.498 63.200 -0.009 0.000 0.798 88 S HN 0.424 nan 8.310 nan 0.000 0.488 89 C N 3.051 122.365 119.300 0.023 0.000 2.453 89 C HA -0.063 4.398 4.460 0.001 0.000 0.277 89 C C 3.256 178.266 174.990 0.033 0.000 1.262 89 C CA 1.733 60.768 59.018 0.028 0.000 1.718 89 C CB -1.677 26.072 27.740 0.015 0.000 2.031 89 C HN 0.815 nan 8.230 nan 0.000 0.480 90 T N -2.778 111.780 114.554 0.006 0.000 2.788 90 T HA -0.271 4.079 4.350 0.001 0.000 0.268 90 T C 1.654 176.328 174.700 -0.044 0.000 1.044 90 T CA 2.106 64.178 62.100 -0.047 0.000 1.139 90 T CB -1.026 67.794 68.868 -0.080 0.000 0.867 90 T HN 0.826 nan 8.240 nan 0.000 0.454 91 H N 1.106 120.133 119.070 -0.073 0.000 2.421 91 H HA 0.004 4.560 4.556 0.001 0.000 0.298 91 H C 2.346 177.640 175.328 -0.056 0.000 1.087 91 H CA 1.479 57.486 56.048 -0.069 0.000 1.330 91 H CB 0.112 29.846 29.762 -0.048 0.000 1.388 91 H HN 0.555 nan 8.280 nan 0.000 0.526 92 E N -0.083 120.198 120.200 0.136 0.000 2.033 92 E HA -0.125 4.226 4.350 0.001 0.000 0.189 92 E C 2.157 178.821 176.600 0.106 0.000 0.979 92 E CA 0.703 57.162 56.400 0.098 0.000 0.802 92 E CB -0.038 29.712 29.700 0.084 0.000 0.763 92 E HN 0.294 nan 8.360 nan 0.000 0.449 93 L N 2.146 123.432 121.223 0.104 0.000 2.013 93 L HA -0.185 4.155 4.340 0.001 0.000 0.212 93 L C 2.234 179.123 176.870 0.032 0.000 1.073 93 L CA 1.713 56.635 54.840 0.136 0.000 0.753 93 L CB -0.539 41.512 42.059 -0.014 0.000 0.890 93 L HN 0.240 nan 8.230 nan 0.000 0.432 94 I N -3.688 116.744 120.570 -0.231 0.000 3.334 94 I HA -0.045 4.126 4.170 0.001 0.000 0.282 94 I C 1.797 177.866 176.117 -0.079 0.000 1.313 94 I CA 0.448 61.496 61.300 -0.420 0.000 1.396 94 I CB -0.543 37.083 38.000 -0.623 0.000 1.054 94 I HN 0.117 nan 8.210 nan 0.000 0.495 95 R N 0.813 121.293 120.500 -0.033 0.000 2.235 95 R HA 0.048 4.389 4.340 0.001 0.000 0.213 95 R C 0.220 176.485 176.300 -0.058 0.000 1.059 95 R CA 0.441 56.507 56.100 -0.057 0.000 0.997 95 R CB -0.743 29.497 30.300 -0.100 0.000 0.884 95 R HN 0.557 nan 8.270 nan 0.000 0.462 96 H N 1.037 120.245 119.070 0.229 0.000 2.934 96 H HA 0.147 4.703 4.556 0.001 0.000 0.273 96 H C 0.873 176.419 175.328 0.365 0.000 1.121 96 H CA 0.086 56.349 56.048 0.359 0.000 1.451 96 H CB 0.702 30.749 29.762 0.476 0.000 1.469 96 H HN -0.065 nan 8.280 nan 0.000 0.476 97 R N 1.520 122.164 120.500 0.240 0.000 2.299 97 R HA -0.010 4.331 4.340 0.001 0.000 0.197 97 R C 0.490 176.703 176.300 -0.145 0.000 0.971 97 R CA 0.476 56.596 56.100 0.034 0.000 1.030 97 R CB 0.224 30.454 30.300 -0.115 0.000 0.932 97 R HN 0.599 nan 8.270 nan 0.000 0.477 98 H N -1.066 118.043 119.070 0.065 0.000 2.537 98 H HA 0.164 4.721 4.556 0.001 0.000 0.295 98 H C -0.687 174.343 175.328 -0.497 0.000 1.054 98 H CA -0.235 55.698 56.048 -0.193 0.000 1.156 98 H CB 0.188 29.798 29.762 -0.253 0.000 1.468 98 H HN -0.054 nan 8.280 nan 0.000 0.551 99 F N -0.682 119.151 119.950 -0.195 0.000 2.557 99 F HA 0.490 5.017 4.527 0.001 0.000 0.336 99 F C 0.520 175.957 175.800 -0.604 0.000 1.058 99 F CA -0.962 56.743 58.000 -0.490 0.000 0.988 99 F CB 1.603 40.149 39.000 -0.757 0.000 1.275 99 F HN -0.217 nan 8.300 nan 0.000 0.488 100 S N -0.012 115.437 115.700 -0.418 0.000 2.482 100 S HA 0.660 5.131 4.470 0.001 0.000 0.303 100 S C -1.604 172.724 174.600 -0.455 0.000 1.091 100 S CA -0.623 57.366 58.200 -0.352 0.000 1.057 100 S CB 0.894 64.018 63.200 -0.127 0.000 1.031 100 S HN 0.394 nan 8.310 nan 0.000 0.485 101 Y N 0.282 120.623 120.300 0.069 0.000 2.499 101 Y HA 0.598 5.148 4.550 0.001 0.000 0.347 101 Y C 0.209 176.144 175.900 0.059 0.000 0.987 101 Y CA -0.868 57.268 58.100 0.060 0.000 1.044 101 Y CB 2.128 40.608 38.460 0.033 0.000 1.245 101 Y HN 0.494 nan 8.280 nan 0.000 0.461 102 S N 2.216 118.060 115.700 0.239 0.000 2.733 102 S HA 0.338 4.808 4.470 0.001 0.000 0.294 102 S C -1.300 173.400 174.600 0.168 0.000 1.149 102 S CA -0.821 57.480 58.200 0.167 0.000 1.034 102 S CB 1.403 64.678 63.200 0.125 0.000 1.015 102 S HN 0.627 nan 8.310 nan 0.000 0.486 103 Q N 2.553 122.429 119.800 0.127 0.000 2.375 103 Q HA 0.525 4.866 4.340 0.001 0.000 0.271 103 Q C -0.931 175.120 176.000 0.085 0.000 1.074 103 Q CA -1.068 54.795 55.803 0.099 0.000 0.808 103 Q CB 1.193 29.954 28.738 0.039 0.000 1.327 103 Q HN 0.575 nan 8.270 nan 0.000 0.441 104 L N 2.884 124.162 121.223 0.091 0.000 2.667 104 L HA 0.055 4.396 4.340 0.001 0.000 0.278 104 L C -0.668 176.227 176.870 0.043 0.000 1.217 104 L CA 1.196 56.084 54.840 0.080 0.000 0.935 104 L CB 0.559 42.664 42.059 0.076 0.000 1.193 104 L HN 0.588 nan 8.230 nan 0.000 0.493 105 S N 4.101 119.833 115.700 0.053 0.000 2.438 105 S HA 0.287 4.757 4.470 0.001 0.000 0.293 105 S C 0.807 175.409 174.600 0.003 0.000 1.141 105 S CA -0.443 57.751 58.200 -0.011 0.000 1.080 105 S CB 0.818 63.990 63.200 -0.046 0.000 0.978 105 S HN 0.843 nan 8.310 nan 0.000 0.479 106 Q N 3.413 123.198 119.800 -0.025 0.000 2.230 106 Q HA -0.002 4.339 4.340 0.001 0.000 0.202 106 Q C 1.984 177.995 176.000 0.018 0.000 0.963 106 Q CA 0.996 56.804 55.803 0.009 0.000 0.866 106 Q CB 0.035 28.779 28.738 0.009 0.000 0.931 106 Q HN 0.687 nan 8.270 nan 0.000 0.452 107 R N -0.583 119.867 120.500 -0.084 0.000 2.120 107 R HA -0.141 4.200 4.340 0.001 0.000 0.234 107 R C 1.189 177.523 176.300 0.056 0.000 1.123 107 R CA 1.213 57.247 56.100 -0.110 0.000 0.975 107 R CB 0.074 30.159 30.300 -0.359 0.000 0.866 107 R HN 0.292 nan 8.270 nan 0.000 0.446 108 Y N -1.103 119.221 120.300 0.039 0.000 2.498 108 Y HA 0.210 4.761 4.550 0.001 0.000 0.259 108 Y C 0.517 176.442 175.900 0.041 0.000 1.086 108 Y CA -0.597 57.524 58.100 0.035 0.000 1.287 108 Y CB 0.598 39.074 38.460 0.026 0.000 1.146 108 Y HN -0.302 nan 8.280 nan 0.000 0.523 109 V N 3.371 123.400 119.914 0.193 0.000 2.370 109 V HA 0.323 4.443 4.120 0.001 0.000 0.283 109 V C -2.328 173.830 176.094 0.108 0.000 1.023 109 V CA -2.481 59.895 62.300 0.127 0.000 0.857 109 V CB 1.263 33.145 31.823 0.098 0.000 0.985 109 V HN -0.101 nan 8.190 nan 0.000 0.443 110 P HA 0.032 nan 4.420 nan 0.000 0.260 110 P C 0.125 177.457 177.300 0.053 0.000 1.185 110 P CA 0.282 63.449 63.100 0.111 0.000 0.763 110 P CB 0.395 32.150 31.700 0.092 0.000 0.776 111 E N 1.376 121.579 120.200 0.005 0.000 2.336 111 E HA 0.072 4.422 4.350 0.001 0.000 0.214 111 E C 0.681 177.157 176.600 -0.205 0.000 1.144 111 E CA -0.053 56.239 56.400 -0.180 0.000 1.294 111 E CB -0.389 29.071 29.700 -0.401 0.000 1.263 111 E HN 0.363 nan 8.360 nan 0.000 0.439 112 K N 1.392 121.759 120.400 -0.055 0.000 2.297 112 K HA 0.197 4.518 4.320 0.001 0.000 0.286 112 K C 0.053 176.635 176.600 -0.031 0.000 1.053 112 K CA -0.435 55.838 56.287 -0.024 0.000 0.940 112 K CB -0.261 32.260 32.500 0.034 0.000 1.019 112 K HN 0.073 nan 8.250 nan 0.000 0.475 113 D N 0.918 121.296 120.400 -0.037 0.000 2.718 113 D HA -0.125 4.515 4.640 0.001 0.000 0.242 113 D C -0.437 175.837 176.300 -0.043 0.000 1.123 113 D CA 1.358 55.340 54.000 -0.031 0.000 0.690 113 D CB -2.243 38.550 40.800 -0.011 0.000 1.059 113 D HN 0.575 nan 8.370 nan 0.000 0.429 114 S N 0.120 115.776 115.700 -0.074 0.000 2.565 114 S HA 0.442 4.912 4.470 0.001 0.000 0.276 114 S C 1.042 175.609 174.600 -0.054 0.000 1.326 114 S CA -0.784 57.371 58.200 -0.074 0.000 1.045 114 S CB 1.575 64.706 63.200 -0.116 0.000 0.918 114 S HN 0.197 nan 8.310 nan 0.000 0.505 115 R N 0.737 121.212 120.500 -0.042 0.000 2.546 115 R HA 0.659 4.999 4.340 0.001 0.000 0.266 115 R C -0.867 175.409 176.300 -0.039 0.000 1.086 115 R CA -0.775 55.304 56.100 -0.035 0.000 1.160 115 R CB 0.439 30.723 30.300 -0.027 0.000 1.138 115 R HN 0.349 nan 8.270 nan 0.000 0.567 116 V N 1.372 121.266 119.914 -0.034 0.000 2.680 116 V HA 0.262 4.383 4.120 0.001 0.000 0.309 116 V C -0.417 175.660 176.094 -0.029 0.000 1.052 116 V CA -0.858 61.422 62.300 -0.034 0.000 0.908 116 V CB 2.323 34.125 31.823 -0.035 0.000 1.001 116 V HN 0.421 nan 8.190 nan 0.000 0.431 117 V N 5.057 124.954 119.914 -0.028 0.000 2.407 117 V HA 0.325 4.446 4.120 0.001 0.000 0.278 117 V C 0.058 176.138 176.094 -0.023 0.000 1.037 117 V CA -0.536 61.748 62.300 -0.026 0.000 0.900 117 V CB 1.674 33.480 31.823 -0.028 0.000 0.983 117 V HN 0.602 nan 8.190 nan 0.000 0.459 118 V N 8.078 127.980 119.914 -0.021 0.000 2.488 118 V HA 0.202 4.322 4.120 0.001 0.000 0.277 118 V C -2.004 174.080 176.094 -0.017 0.000 1.046 118 V CA -1.539 60.751 62.300 -0.018 0.000 0.986 118 V CB 1.036 32.851 31.823 -0.013 0.000 0.989 118 V HN 0.785 nan 8.190 nan 0.000 0.475 119 P HA 0.123 nan 4.420 nan 0.000 0.263 119 P C -2.019 175.272 177.300 -0.016 0.000 1.195 119 P CA -0.956 62.135 63.100 -0.016 0.000 0.762 119 P CB 0.090 31.781 31.700 -0.015 0.000 0.799 120 P HA -0.148 nan 4.420 nan 0.000 0.218 120 P C 0.981 178.271 177.300 -0.016 0.000 1.146 120 P CA 1.400 64.489 63.100 -0.019 0.000 0.813 120 P CB -0.107 31.580 31.700 -0.022 0.000 0.778 124 D N 1.107 121.504 120.400 -0.005 0.000 2.339 124 D HA 0.031 4.672 4.640 0.001 0.000 0.217 124 D C -0.320 175.979 176.300 -0.001 0.000 1.050 124 D CA 0.532 54.530 54.000 -0.004 0.000 0.856 124 D CB 0.298 41.095 40.800 -0.006 0.000 0.922 124 D HN -0.014 nan 8.370 nan 0.000 0.518 125 D N 0.246 120.647 120.400 0.002 0.000 2.472 125 D HA 0.306 4.947 4.640 0.001 0.000 0.234 125 D C 0.957 177.265 176.300 0.013 0.000 1.088 125 D CA -0.398 53.605 54.000 0.006 0.000 0.882 125 D CB 1.351 42.154 40.800 0.005 0.000 1.037 125 D HN -0.076 nan 8.370 nan 0.000 0.520 126 A N 3.451 126.279 122.820 0.013 0.000 1.972 126 A HA -0.213 4.108 4.320 0.001 0.000 0.219 126 A C 1.796 179.405 177.584 0.042 0.000 1.169 126 A CA 1.549 53.599 52.037 0.022 0.000 0.635 126 A CB -0.096 18.908 19.000 0.008 0.000 0.810 126 A HN 0.556 nan 8.150 nan 0.000 0.446 127 D N -0.149 120.268 120.400 0.029 0.000 2.097 127 D HA -0.105 4.535 4.640 0.001 0.000 0.197 127 D C 1.843 178.185 176.300 0.070 0.000 0.984 127 D CA 1.246 55.272 54.000 0.044 0.000 0.826 127 D CB -0.217 40.595 40.800 0.019 0.000 0.973 127 D HN 0.411 nan 8.370 nan 0.000 0.460 128 L N -0.174 121.075 121.223 0.042 0.000 2.056 128 L HA -0.076 4.264 4.340 0.001 0.000 0.207 128 L C 2.786 179.675 176.870 0.033 0.000 1.078 128 L CA 0.935 55.794 54.840 0.032 0.000 0.749 128 L CB -0.338 41.730 42.059 0.015 0.000 0.901 128 L HN 0.015 nan 8.230 nan 0.000 0.433 129 R N -1.115 119.408 120.500 0.038 0.000 2.096 129 R HA -0.232 4.109 4.340 0.001 0.000 0.240 129 R C 2.421 178.748 176.300 0.045 0.000 1.139 129 R CA 1.672 57.792 56.100 0.033 0.000 0.952 129 R CB -0.682 29.639 30.300 0.035 0.000 0.854 129 R HN 0.448 nan 8.270 nan 0.000 0.436 130 H N 0.935 120.001 119.070 -0.006 0.000 2.353 130 H HA -0.091 4.466 4.556 0.001 0.000 0.300 130 H C 2.055 177.380 175.328 -0.005 0.000 1.090 130 H CA 1.811 57.856 56.048 -0.005 0.000 1.327 130 H CB 0.011 29.770 29.762 -0.004 0.000 1.383 130 H HN 0.157 nan 8.280 nan 0.000 0.508 131 I N 0.459 121.034 120.570 0.008 0.000 2.208 131 I HA -0.293 3.877 4.170 0.001 0.000 0.245 131 I C 2.759 178.825 176.117 -0.085 0.000 1.097 131 I CA 0.816 62.092 61.300 -0.040 0.000 1.363 131 I CB -0.265 37.748 38.000 0.021 0.000 1.051 131 I HN 0.207 nan 8.210 nan 0.000 0.413 132 L N 0.761 121.949 121.223 -0.058 0.000 1.994 132 L HA -0.207 4.133 4.340 0.001 0.000 0.208 132 L C 2.754 179.575 176.870 -0.083 0.000 1.071 132 L CA 2.580 57.387 54.840 -0.055 0.000 0.745 132 L CB -0.896 41.143 42.059 -0.032 0.000 0.892 132 L HN 0.410 nan 8.230 nan 0.000 0.431 133 T N -2.539 111.951 114.554 -0.107 0.000 2.915 133 T HA -0.169 4.182 4.350 0.001 0.000 0.269 133 T C 1.503 176.119 174.700 -0.140 0.000 1.071 133 T CA 1.163 63.200 62.100 -0.105 0.000 1.132 133 T CB -0.615 68.205 68.868 -0.081 0.000 0.878 133 T HN 0.712 nan 8.240 nan 0.000 0.479 134 E N 1.727 121.790 120.200 -0.230 0.000 2.230 134 E HA 0.270 4.620 4.350 0.001 0.000 0.192 134 E C 2.437 178.972 176.600 -0.109 0.000 0.987 134 E CA 0.535 56.820 56.400 -0.192 0.000 0.841 134 E CB -0.500 29.031 29.700 -0.280 0.000 0.783 134 E HN 0.538 nan 8.360 nan 0.000 0.481 135 A N 2.250 125.011 122.820 -0.098 0.000 1.865 135 A HA -0.121 4.200 4.320 0.001 0.000 0.217 135 A C 2.592 180.149 177.584 -0.044 0.000 1.191 135 A CA 2.127 54.131 52.037 -0.056 0.000 0.623 135 A CB -1.036 17.936 19.000 -0.047 0.000 0.826 135 A HN 0.398 nan 8.150 nan 0.000 0.444 136 A N -0.043 122.747 122.820 -0.050 0.000 1.908 136 A HA -0.239 4.081 4.320 0.001 0.000 0.218 136 A C 1.782 179.344 177.584 -0.037 0.000 1.181 136 A CA 2.066 54.078 52.037 -0.042 0.000 0.627 136 A CB -0.735 18.237 19.000 -0.046 0.000 0.818 136 A HN 0.494 nan 8.150 nan 0.000 0.445 137 D N 0.027 120.401 120.400 -0.044 0.000 2.123 137 D HA -0.090 4.550 4.640 0.001 0.000 0.196 137 D C 2.231 178.522 176.300 -0.015 0.000 0.992 137 D CA 1.606 55.587 54.000 -0.031 0.000 0.833 137 D CB -0.483 40.294 40.800 -0.038 0.000 0.954 137 D HN 0.447 nan 8.370 nan 0.000 0.455 138 A N 1.019 123.829 122.820 -0.017 0.000 1.902 138 A HA -0.037 4.284 4.320 0.001 0.000 0.217 138 A C 2.330 179.922 177.584 0.013 0.000 1.181 138 A CA 2.222 54.257 52.037 -0.003 0.000 0.623 138 A CB -0.717 18.277 19.000 -0.008 0.000 0.818 138 A HN 0.237 nan 8.150 nan 0.000 0.443 139 A N -0.548 122.278 122.820 0.010 0.000 1.877 139 A HA -0.175 4.146 4.320 0.001 0.000 0.216 139 A C 2.274 179.896 177.584 0.062 0.000 1.186 139 A CA 1.510 53.566 52.037 0.031 0.000 0.620 139 A CB -0.514 18.495 19.000 0.016 0.000 0.822 139 A HN 0.431 nan 8.150 nan 0.000 0.443 140 R N -0.651 119.866 120.500 0.029 0.000 2.096 140 R HA -0.119 4.222 4.340 0.001 0.000 0.235 140 R C 2.429 178.791 176.300 0.103 0.000 1.127 140 R CA 1.285 57.408 56.100 0.039 0.000 0.968 140 R CB -0.562 29.725 30.300 -0.022 0.000 0.861 140 R HN 0.544 nan 8.270 nan 0.000 0.440 141 A N 0.102 122.960 122.820 0.065 0.000 1.877 141 A HA -0.132 4.189 4.320 0.001 0.000 0.216 141 A C 2.194 179.821 177.584 0.072 0.000 1.186 141 A CA 1.957 54.030 52.037 0.060 0.000 0.620 141 A CB -0.732 18.288 19.000 0.032 0.000 0.822 141 A HN 0.298 nan 8.150 nan 0.000 0.443 142 T N -1.452 113.144 114.554 0.070 0.000 2.746 142 T HA -0.193 4.158 4.350 0.001 0.000 0.267 142 T C 1.758 176.508 174.700 0.083 0.000 1.039 142 T CA 1.635 63.771 62.100 0.060 0.000 1.142 142 T CB -0.490 68.408 68.868 0.051 0.000 0.866 142 T HN 0.566 nan 8.240 nan 0.000 0.444 143 Y N 2.197 122.498 120.300 0.002 0.000 2.097 143 Y HA -0.231 4.319 4.550 0.001 0.000 0.282 143 Y C 2.683 178.588 175.900 0.008 0.000 1.152 143 Y CA 1.721 59.826 58.100 0.007 0.000 1.136 143 Y CB -0.475 37.990 38.460 0.008 0.000 0.975 143 Y HN 0.111 nan 8.280 nan 0.000 0.498 144 S N 0.004 115.823 115.700 0.198 0.000 2.382 144 S HA -0.227 4.244 4.470 0.001 0.000 0.228 144 S C 1.904 176.498 174.600 -0.011 0.000 1.027 144 S CA 1.417 59.675 58.200 0.096 0.000 0.991 144 S CB -0.369 62.903 63.200 0.120 0.000 0.823 144 S HN 0.577 nan 8.310 nan 0.000 0.469 145 E N 0.865 121.060 120.200 -0.007 0.000 2.047 145 E HA -0.098 4.253 4.350 0.001 0.000 0.191 145 E C 2.009 178.568 176.600 -0.068 0.000 0.987 145 E CA 0.827 57.210 56.400 -0.028 0.000 0.799 145 E CB -0.116 29.577 29.700 -0.013 0.000 0.752 145 E HN 0.424 nan 8.360 nan 0.000 0.449 146 L N 0.542 121.706 121.223 -0.099 0.000 2.017 146 L HA -0.211 4.129 4.340 0.001 0.000 0.208 146 L C 2.676 179.443 176.870 -0.172 0.000 1.073 146 L CA 0.519 55.280 54.840 -0.132 0.000 0.745 146 L CB -0.429 41.545 42.059 -0.143 0.000 0.894 146 L HN 0.227 nan 8.230 nan 0.000 0.432 147 L N 0.209 121.281 121.223 -0.251 0.000 2.013 147 L HA -0.234 4.106 4.340 0.001 0.000 0.212 147 L C 2.654 179.455 176.870 -0.116 0.000 1.073 147 L CA 2.172 56.874 54.840 -0.230 0.000 0.753 147 L CB -0.757 41.121 42.059 -0.301 0.000 0.890 147 L HN 0.196 nan 8.230 nan 0.000 0.432 148 A N -1.107 121.659 122.820 -0.089 0.000 1.902 148 A HA -0.258 4.062 4.320 0.001 0.000 0.217 148 A C 2.392 179.931 177.584 -0.075 0.000 1.181 148 A CA 2.066 54.068 52.037 -0.057 0.000 0.623 148 A CB -0.525 18.452 19.000 -0.038 0.000 0.818 148 A HN 0.466 nan 8.150 nan 0.000 0.443 149 K N -0.662 119.680 120.400 -0.096 0.000 2.097 149 K HA 0.074 4.395 4.320 0.001 0.000 0.205 149 K C 1.818 178.304 176.600 -0.190 0.000 1.050 149 K CA 0.984 57.199 56.287 -0.121 0.000 0.938 149 K CB -0.258 32.176 32.500 -0.111 0.000 0.718 149 K HN 0.464 nan 8.250 nan 0.000 0.442 150 L N 0.565 121.665 121.223 -0.204 0.000 2.056 150 L HA -0.174 4.166 4.340 0.001 0.000 0.207 150 L C 2.106 178.804 176.870 -0.287 0.000 1.078 150 L CA 1.330 55.969 54.840 -0.335 0.000 0.749 150 L CB -0.215 41.751 42.059 -0.155 0.000 0.901 150 L HN 0.198 nan 8.230 nan 0.000 0.433 151 E N -0.067 120.088 120.200 -0.075 0.000 2.110 151 E HA -0.232 4.119 4.350 0.001 0.000 0.193 151 E C 2.276 178.861 176.600 -0.024 0.000 0.988 151 E CA 1.142 57.553 56.400 0.019 0.000 0.804 151 E CB -0.150 29.565 29.700 0.026 0.000 0.745 151 E HN 0.502 nan 8.360 nan 0.000 0.458 152 A N 1.477 124.249 122.820 -0.079 0.000 1.902 152 A HA -0.240 4.081 4.320 0.001 0.000 0.217 152 A C 2.045 179.557 177.584 -0.120 0.000 1.181 152 A CA 1.655 53.645 52.037 -0.078 0.000 0.623 152 A CB -0.365 18.589 19.000 -0.077 0.000 0.818 152 A HN 0.078 nan 8.150 nan 0.000 0.443 153 K N -1.397 118.849 120.400 -0.256 0.000 2.057 153 K HA -0.116 4.205 4.320 0.001 0.000 0.207 153 K C 0.714 177.163 176.600 -0.252 0.000 1.049 153 K CA 1.490 57.566 56.287 -0.353 0.000 0.931 153 K CB -0.229 31.892 32.500 -0.631 0.000 0.714 153 K HN 0.392 nan 8.250 nan 0.000 0.440 154 F N 0.639 120.583 119.950 -0.010 0.000 2.731 154 F HA 0.281 4.809 4.527 0.001 0.000 0.304 154 F C 1.746 177.543 175.800 -0.004 0.000 1.133 154 F CA -0.168 57.829 58.000 -0.006 0.000 1.380 154 F CB -0.528 38.469 39.000 -0.005 0.000 1.079 154 F HN 0.052 nan 8.300 nan 0.000 0.550 155 A N 0.865 123.749 122.820 0.106 0.000 1.997 155 A HA -0.292 4.029 4.320 0.001 0.000 0.221 155 A C 2.258 179.882 177.584 0.067 0.000 1.172 155 A CA 2.229 54.306 52.037 0.067 0.000 0.645 155 A CB -0.747 18.267 19.000 0.024 0.000 0.813 155 A HN 0.474 nan 8.150 nan 0.000 0.454 156 D N -0.165 120.280 120.400 0.074 0.000 2.123 156 D HA -0.193 4.447 4.640 0.001 0.000 0.196 156 D C 1.191 177.524 176.300 0.055 0.000 0.992 156 D CA 1.145 55.180 54.000 0.058 0.000 0.833 156 D CB -1.018 39.816 40.800 0.057 0.000 0.954 156 D HN 0.480 nan 8.370 nan 0.000 0.455 157 Q N 2.012 121.855 119.800 0.072 0.000 2.362 157 Q HA -0.005 4.336 4.340 0.001 0.000 0.305 157 Q C -1.901 174.118 176.000 0.031 0.000 1.120 157 Q CA -0.522 55.307 55.803 0.043 0.000 1.011 157 Q CB 1.139 29.898 28.738 0.034 0.000 1.048 157 Q HN -0.002 nan 8.270 nan 0.000 0.386 158 P HA -0.121 nan 4.420 nan 0.000 0.217 158 P C -0.336 176.971 177.300 0.011 0.000 1.150 158 P CA 0.929 64.037 63.100 0.015 0.000 0.832 158 P CB 0.152 31.858 31.700 0.009 0.000 0.787 159 N N 0.021 118.725 118.700 0.006 0.000 2.405 159 N HA 0.136 4.876 4.740 0.001 0.000 0.260 159 N C 0.986 176.502 175.510 0.009 0.000 1.152 159 N CA 0.126 53.178 53.050 0.003 0.000 0.948 159 N CB 0.742 39.226 38.487 -0.005 0.000 1.111 159 N HN -0.117 nan 8.380 nan 0.000 0.485 160 A N 5.035 127.863 122.820 0.012 0.000 1.968 160 A HA -0.058 4.262 4.320 0.001 0.000 0.217 160 A C 2.138 179.735 177.584 0.020 0.000 1.169 160 A CA 0.795 52.845 52.037 0.021 0.000 0.638 160 A CB -0.310 18.701 19.000 0.019 0.000 0.812 160 A HN 0.787 nan 8.150 nan 0.000 0.446 161 I N -0.824 119.752 120.570 0.010 0.000 2.179 161 I HA -0.228 3.942 4.170 0.001 0.000 0.242 161 I C 2.388 178.512 176.117 0.013 0.000 1.088 161 I CA 1.221 62.525 61.300 0.007 0.000 1.357 161 I CB -0.246 37.747 38.000 -0.012 0.000 1.051 161 I HN 0.385 nan 8.210 nan 0.000 0.409 162 L N 1.041 122.265 121.223 0.002 0.000 2.131 162 L HA -0.187 4.153 4.340 0.001 0.000 0.210 162 L C 2.553 179.410 176.870 -0.022 0.000 1.092 162 L CA 1.703 56.538 54.840 -0.009 0.000 0.759 162 L CB -0.713 41.333 42.059 -0.023 0.000 0.903 162 L HN 0.096 nan 8.230 nan 0.000 0.435 163 R N -0.602 119.899 120.500 0.002 0.000 2.073 163 R HA -0.139 4.202 4.340 0.001 0.000 0.234 163 R C 2.422 178.765 176.300 0.072 0.000 1.134 163 R CA 1.654 57.774 56.100 0.034 0.000 0.952 163 R CB -0.189 30.153 30.300 0.071 0.000 0.850 163 R HN 0.329 nan 8.270 nan 0.000 0.433 164 R N 0.219 120.758 120.500 0.065 0.000 2.096 164 R HA -0.113 4.228 4.340 0.001 0.000 0.235 164 R C 2.376 178.726 176.300 0.082 0.000 1.127 164 R CA 1.409 57.556 56.100 0.079 0.000 0.968 164 R CB -0.258 30.083 30.300 0.068 0.000 0.861 164 R HN 0.206 nan 8.270 nan 0.000 0.440 165 K N 1.243 121.684 120.400 0.067 0.000 2.025 165 K HA -0.174 4.147 4.320 0.001 0.000 0.207 165 K C 2.074 178.692 176.600 0.030 0.000 1.049 165 K CA 1.463 57.799 56.287 0.082 0.000 0.933 165 K CB 0.078 32.643 32.500 0.108 0.000 0.714 165 K HN 0.231 nan 8.250 nan 0.000 0.438 166 Q N -0.246 119.522 119.800 -0.053 0.000 2.096 166 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 166 Q C 2.047 178.061 176.000 0.024 0.000 0.982 166 Q CA 1.681 57.369 55.803 -0.191 0.000 0.850 166 Q CB -0.153 28.216 28.738 -0.616 0.000 0.901 166 Q HN 0.363 nan 8.270 nan 0.000 0.422 167 A N 1.048 123.982 122.820 0.190 0.000 1.855 167 A HA -0.191 4.130 4.320 0.001 0.000 0.215 167 A C 2.030 179.671 177.584 0.095 0.000 1.191 167 A CA 1.439 53.634 52.037 0.263 0.000 0.613 167 A CB -0.484 18.634 19.000 0.196 0.000 0.829 167 A HN 0.194 nan 8.150 nan 0.000 0.442 168 R N 0.083 120.628 120.500 0.075 0.000 2.081 168 R HA -0.211 4.129 4.340 0.001 0.000 0.235 168 R C 2.583 178.935 176.300 0.086 0.000 1.131 168 R CA 1.891 58.039 56.100 0.079 0.000 0.960 168 R CB -0.312 30.068 30.300 0.134 0.000 0.856 168 R HN 0.860 nan 8.270 nan 0.000 0.436 169 Q N -0.994 118.843 119.800 0.063 0.000 2.167 169 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 169 Q C 1.793 177.821 176.000 0.048 0.000 0.970 169 Q CA 1.421 57.249 55.803 0.040 0.000 0.855 169 Q CB -0.126 28.613 28.738 0.000 0.000 0.911 169 Q HN 0.316 nan 8.270 nan 0.000 0.438 170 A N 1.508 124.366 122.820 0.062 0.000 1.898 170 A HA 0.182 4.503 4.320 0.001 0.000 0.214 170 A C 2.411 180.009 177.584 0.025 0.000 1.183 170 A CA 1.199 53.274 52.037 0.064 0.000 0.622 170 A CB -0.757 18.317 19.000 0.125 0.000 0.824 170 A HN 0.513 nan 8.150 nan 0.000 0.444 171 A N 1.008 123.805 122.820 -0.037 0.000 1.933 171 A HA -0.183 4.138 4.320 0.001 0.000 0.218 171 A C 2.181 179.787 177.584 0.037 0.000 1.175 171 A CA 1.680 53.606 52.037 -0.185 0.000 0.628 171 A CB -0.629 17.993 19.000 -0.630 0.000 0.814 171 A HN 0.686 nan 8.150 nan 0.000 0.444 172 R N 0.012 120.646 120.500 0.224 0.000 2.276 172 R HA -0.119 4.222 4.340 0.001 0.000 0.243 172 R C 1.827 178.224 176.300 0.163 0.000 1.161 172 R CA 1.505 57.781 56.100 0.293 0.000 1.007 172 R CB -0.774 29.631 30.300 0.174 0.000 0.867 172 R HN 0.339 nan 8.270 nan 0.000 0.472 173 A N 1.690 124.574 122.820 0.107 0.000 2.032 173 A HA -0.057 4.263 4.320 0.001 0.000 0.221 173 A C 1.483 179.110 177.584 0.073 0.000 1.165 173 A CA 1.465 53.544 52.037 0.070 0.000 0.645 173 A CB -0.578 18.449 19.000 0.046 0.000 0.807 173 A HN 0.359 nan 8.150 nan 0.000 0.453 177 N N -0.186 118.511 118.700 -0.006 0.000 2.094 177 N HA -0.156 4.584 4.740 0.001 0.000 0.191 177 N C 1.592 177.096 175.510 -0.011 0.000 1.023 177 N CA 1.552 54.599 53.050 -0.006 0.000 0.857 177 N CB -0.161 38.318 38.487 -0.012 0.000 1.013 177 N HN 0.532 nan 8.380 nan 0.000 0.426 178 A N 0.583 123.393 122.820 -0.017 0.000 2.125 178 A HA -0.036 4.284 4.320 0.001 0.000 0.219 178 A C 0.899 178.468 177.584 -0.026 0.000 1.156 178 A CA 0.706 52.731 52.037 -0.021 0.000 0.671 178 A CB -0.575 18.411 19.000 -0.024 0.000 0.794 178 A HN 0.172 nan 8.150 nan 0.000 0.459 179 T N 1.701 116.238 114.554 -0.028 0.000 2.891 179 T HA 0.033 4.383 4.350 0.001 0.000 0.296 179 T C 0.217 174.898 174.700 -0.033 0.000 1.025 179 T CA 0.171 62.249 62.100 -0.037 0.000 1.149 179 T CB 0.273 69.114 68.868 -0.044 0.000 1.007 179 T HN 0.534 nan 8.240 nan 0.000 0.528 180 E N 1.320 121.498 120.200 -0.037 0.000 2.373 180 E HA 0.216 4.567 4.350 0.001 0.000 0.267 180 E C 0.066 176.648 176.600 -0.030 0.000 1.032 180 E CA -0.013 56.367 56.400 -0.034 0.000 0.889 180 E CB 0.740 30.419 29.700 -0.035 0.000 0.984 180 E HN 0.637 nan 8.360 nan 0.000 0.425 181 T N 2.987 117.524 114.554 -0.030 0.000 2.864 181 T HA 0.617 4.968 4.350 0.001 0.000 0.289 181 T C -1.237 173.446 174.700 -0.028 0.000 1.082 181 T CA -0.692 61.397 62.100 -0.019 0.000 1.009 181 T CB 0.980 69.838 68.868 -0.018 0.000 1.234 181 T HN 0.492 nan 8.240 nan 0.000 0.526 182 R N 1.198 121.698 120.500 0.000 0.000 2.621 182 R HA 0.767 5.107 4.340 0.001 0.000 0.284 182 R C -1.323 175.027 176.300 0.084 0.000 0.998 182 R CA -0.778 55.315 56.100 -0.012 0.000 0.895 182 R CB 2.209 32.532 30.300 0.039 0.000 1.195 182 R HN 0.630 nan 8.270 nan 0.000 0.450 183 I N 1.846 122.463 120.570 0.078 0.000 2.692 183 I HA 0.302 4.472 4.170 0.001 0.000 0.293 183 I C -1.252 175.039 176.117 0.291 0.000 1.200 183 I CA -1.031 60.374 61.300 0.175 0.000 1.036 183 I CB 2.232 40.292 38.000 0.100 0.000 1.258 183 I HN 0.323 nan 8.210 nan 0.000 0.421 184 V N 7.532 127.644 119.914 0.331 0.000 2.432 184 V HA 0.385 4.505 4.120 0.001 0.000 0.275 184 V C -0.265 175.997 176.094 0.280 0.000 1.043 184 V CA -0.378 62.114 62.300 0.320 0.000 0.925 184 V CB 1.316 33.276 31.823 0.228 0.000 0.985 184 V HN 0.424 nan 8.190 nan 0.000 0.466 185 V N 4.181 124.276 119.914 0.302 0.000 2.487 185 V HA 0.543 4.663 4.120 0.001 0.000 0.298 185 V C 0.033 176.313 176.094 0.310 0.000 1.028 185 V CA -0.348 62.096 62.300 0.242 0.000 0.860 185 V CB 2.082 34.039 31.823 0.223 0.000 0.991 185 V HN 0.910 nan 8.190 nan 0.000 0.427 186 T N 3.225 117.873 114.554 0.157 0.000 2.824 186 T HA 0.824 5.175 4.350 0.001 0.000 0.282 186 T C 0.130 174.905 174.700 0.125 0.000 0.993 186 T CA -0.481 61.740 62.100 0.202 0.000 0.967 186 T CB 1.788 70.705 68.868 0.081 0.000 0.960 186 T HN 1.101 nan 8.240 nan 0.000 0.441 187 G N 2.214 111.112 108.800 0.164 0.000 2.698 187 G HA2 0.552 4.512 3.960 0.001 0.000 0.293 187 G HA3 0.552 4.512 3.960 0.001 0.000 0.293 187 G C -0.971 173.930 174.900 0.001 0.000 1.437 187 G CA -1.063 43.833 45.100 -0.341 0.000 0.852 187 G HN 0.745 nan 8.290 nan 0.000 0.499 188 N N -0.987 117.639 118.700 -0.122 0.000 2.379 188 N HA 0.237 4.978 4.740 0.001 0.000 0.260 188 N C 0.681 176.417 175.510 0.376 0.000 1.254 188 N CA -0.592 52.507 53.050 0.081 0.000 0.958 188 N CB 0.612 39.064 38.487 -0.059 0.000 1.208 188 N HN 0.349 nan 8.380 nan 0.000 0.532 189 Y N -1.048 119.446 120.300 0.323 0.000 2.274 189 Y HA -0.001 4.549 4.550 0.001 0.000 0.290 189 Y C 2.511 178.607 175.900 0.326 0.000 1.145 189 Y CA 0.908 59.281 58.100 0.455 0.000 1.203 189 Y CB -0.599 38.037 38.460 0.293 0.000 0.984 189 Y HN 0.633 nan 8.280 nan 0.000 0.533 190 R N 0.122 120.806 120.500 0.307 0.000 2.075 190 R HA -0.107 4.233 4.340 0.001 0.000 0.232 190 R C 2.371 178.746 176.300 0.126 0.000 1.126 190 R CA 1.190 57.388 56.100 0.164 0.000 0.963 190 R CB -0.270 30.060 30.300 0.050 0.000 0.858 190 R HN 0.230 nan 8.270 nan 0.000 0.435 191 A N 0.171 122.971 122.820 -0.034 0.000 1.902 191 A HA -0.173 4.148 4.320 0.001 0.000 0.217 191 A C 1.901 179.555 177.584 0.118 0.000 1.181 191 A CA 1.243 53.132 52.037 -0.247 0.000 0.623 191 A CB -1.039 17.362 19.000 -0.999 0.000 0.818 191 A HN 0.578 nan 8.150 nan 0.000 0.443 192 W N -0.184 121.349 121.300 0.388 0.000 2.335 192 W HA -0.184 4.477 4.660 0.001 0.000 0.311 192 W C 2.704 179.583 176.519 0.599 0.000 1.213 192 W CA 1.513 59.241 57.345 0.637 0.000 1.274 192 W CB -0.177 29.663 29.460 0.633 0.000 1.148 192 W HN 0.249 nan 8.180 nan 0.000 0.498 193 R N -0.962 119.997 120.500 0.765 0.000 2.091 193 R HA -0.210 4.130 4.340 0.001 0.000 0.238 193 R C 2.185 178.770 176.300 0.474 0.000 1.136 193 R CA 1.696 58.160 56.100 0.607 0.000 0.959 193 R CB -1.055 29.474 30.300 0.382 0.000 0.856 193 R HN 0.379 nan 8.270 nan 0.000 0.437 194 H N -0.074 119.180 119.070 0.306 0.000 2.353 194 H HA -0.165 4.391 4.556 0.001 0.000 0.300 194 H C 1.939 177.427 175.328 0.265 0.000 1.090 194 H CA 1.793 57.984 56.048 0.237 0.000 1.327 194 H CB -0.068 29.805 29.762 0.186 0.000 1.383 194 H HN 0.150 nan 8.280 nan 0.000 0.508 195 F N 1.430 121.475 119.950 0.158 0.000 2.069 195 F HA -0.193 4.334 4.527 0.001 0.000 0.298 195 F C 2.414 178.175 175.800 -0.065 0.000 1.113 195 F CA 1.554 59.504 58.000 -0.083 0.000 1.214 195 F CB -0.730 38.258 39.000 -0.020 0.000 0.978 195 F HN 0.068 nan 8.300 nan 0.000 0.474 196 I N 0.600 121.125 120.570 -0.076 0.000 2.163 196 I HA -0.243 3.928 4.170 0.001 0.000 0.243 196 I C 2.015 177.963 176.117 -0.282 0.000 1.085 196 I CA 0.689 61.787 61.300 -0.336 0.000 1.347 196 I CB -1.316 36.405 38.000 -0.465 0.000 1.044 196 I HN 0.254 nan 8.210 nan 0.000 0.408 200 A N 1.983 124.650 122.820 -0.255 0.000 3.282 200 A HA 0.483 4.803 4.320 0.001 0.000 0.287 200 A C 0.199 177.732 177.584 -0.085 0.000 1.366 200 A CA 0.161 52.094 52.037 -0.174 0.000 1.069 200 A CB -0.117 18.760 19.000 -0.205 0.000 1.109 200 A HN 0.141 nan 8.150 nan 0.000 0.638 201 S N -0.753 114.908 115.700 -0.065 0.000 2.569 201 S HA 0.371 4.842 4.470 0.001 0.000 0.280 201 S C 0.710 175.278 174.600 -0.053 0.000 1.111 201 S CA 0.123 58.309 58.200 -0.023 0.000 0.887 201 S CB 1.251 64.477 63.200 0.043 0.000 1.095 201 S HN 0.564 nan 8.310 nan 0.000 0.476 202 E N 1.106 121.235 120.200 -0.118 0.000 2.204 202 E HA -0.204 4.147 4.350 0.001 0.000 0.195 202 E C 0.933 177.428 176.600 -0.175 0.000 0.990 202 E CA 1.210 57.508 56.400 -0.171 0.000 0.821 202 E CB -0.539 29.028 29.700 -0.222 0.000 0.750 202 E HN 0.789 nan 8.360 nan 0.000 0.477 203 H N 1.242 120.300 119.070 -0.020 0.000 2.423 203 H HA 0.136 4.692 4.556 0.001 0.000 0.297 203 H C 0.958 176.273 175.328 -0.021 0.000 1.075 203 H CA 0.974 57.011 56.048 -0.017 0.000 1.342 203 H CB -0.204 29.550 29.762 -0.012 0.000 1.395 203 H HN 0.297 nan 8.280 nan 0.000 0.530 204 A N 1.488 124.350 122.820 0.070 0.000 2.351 204 A HA 0.035 4.356 4.320 0.001 0.000 0.257 204 A C 0.357 177.941 177.584 0.001 0.000 1.087 204 A CA -0.517 51.535 52.037 0.024 0.000 0.798 204 A CB 0.366 19.356 19.000 -0.016 0.000 1.033 204 A HN 0.174 nan 8.150 nan 0.000 0.488 205 D N 0.592 120.993 120.400 0.002 0.000 2.548 205 D HA -0.025 4.615 4.640 0.001 0.000 0.231 205 D C 1.657 177.946 176.300 -0.018 0.000 1.142 205 D CA 0.783 54.779 54.000 -0.007 0.000 0.866 205 D CB 0.878 41.677 40.800 -0.002 0.000 1.190 205 D HN 0.460 nan 8.370 nan 0.000 0.469 206 V N 1.503 121.404 119.914 -0.021 0.000 2.626 206 V HA -0.131 3.990 4.120 0.001 0.000 0.252 206 V C 2.062 178.139 176.094 -0.028 0.000 1.067 206 V CA 1.650 63.933 62.300 -0.028 0.000 1.081 206 V CB -0.524 31.282 31.823 -0.027 0.000 0.686 206 V HN 0.624 nan 8.190 nan 0.000 0.468 207 E N 0.343 120.531 120.200 -0.020 0.000 2.047 207 E HA -0.185 4.166 4.350 0.001 0.000 0.191 207 E C 2.155 178.748 176.600 -0.011 0.000 0.987 207 E CA 1.784 58.174 56.400 -0.017 0.000 0.799 207 E CB -0.122 29.570 29.700 -0.012 0.000 0.752 207 E HN 0.694 nan 8.360 nan 0.000 0.449 208 I N 0.699 121.269 120.570 -0.001 0.000 2.394 208 I HA -0.226 3.945 4.170 0.001 0.000 0.251 208 I C 2.685 178.777 176.117 -0.041 0.000 1.136 208 I CA 0.714 62.024 61.300 0.017 0.000 1.425 208 I CB -0.060 37.969 38.000 0.049 0.000 1.079 208 I HN 0.053 nan 8.210 nan 0.000 0.425 209 R N 0.752 121.214 120.500 -0.064 0.000 2.083 209 R HA -0.254 4.086 4.340 0.001 0.000 0.237 209 R C 2.526 178.773 176.300 -0.088 0.000 1.137 209 R CA 1.891 57.933 56.100 -0.097 0.000 0.951 209 R CB -0.314 29.941 30.300 -0.074 0.000 0.851 209 R HN 0.309 nan 8.270 nan 0.000 0.434 210 R N 0.348 120.811 120.500 -0.061 0.000 2.081 210 R HA -0.160 4.180 4.340 0.001 0.000 0.235 210 R C 2.358 178.620 176.300 -0.063 0.000 1.131 210 R CA 1.539 57.603 56.100 -0.060 0.000 0.960 210 R CB -0.381 29.890 30.300 -0.047 0.000 0.856 210 R HN 0.263 nan 8.270 nan 0.000 0.436 211 L N 0.697 121.898 121.223 -0.038 0.000 2.012 211 L HA -0.088 4.252 4.340 0.001 0.000 0.210 211 L C 2.277 179.148 176.870 0.001 0.000 1.073 211 L CA 2.257 57.087 54.840 -0.016 0.000 0.748 211 L CB -0.690 41.403 42.059 0.058 0.000 0.891 211 L HN 0.258 nan 8.230 nan 0.000 0.431 212 A N -0.366 122.443 122.820 -0.017 0.000 1.933 212 A HA -0.152 4.168 4.320 0.001 0.000 0.218 212 A C 2.150 179.654 177.584 -0.133 0.000 1.175 212 A CA 1.831 53.811 52.037 -0.095 0.000 0.628 212 A CB -0.753 17.989 19.000 -0.431 0.000 0.814 212 A HN 0.461 nan 8.150 nan 0.000 0.444 213 I N -0.121 120.367 120.570 -0.136 0.000 2.252 213 I HA -0.174 3.996 4.170 0.001 0.000 0.245 213 I C 2.433 178.465 176.117 -0.142 0.000 1.102 213 I CA 1.948 63.169 61.300 -0.132 0.000 1.385 213 I CB -1.315 36.626 38.000 -0.098 0.000 1.064 213 I HN 0.465 nan 8.210 nan 0.000 0.414 214 E N 0.846 120.957 120.200 -0.147 0.000 2.072 214 E HA -0.160 4.191 4.350 0.001 0.000 0.191 214 E C 2.405 178.833 176.600 -0.287 0.000 0.985 214 E CA 1.484 57.774 56.400 -0.182 0.000 0.801 214 E CB -0.282 29.315 29.700 -0.171 0.000 0.750 214 E HN 0.426 nan 8.360 nan 0.000 0.452 215 C N 0.263 119.348 119.300 -0.358 0.000 2.393 215 C HA -0.142 4.318 4.460 0.001 0.000 0.276 215 C C 2.624 177.371 174.990 -0.405 0.000 1.215 215 C CA 0.965 59.643 59.018 -0.567 0.000 1.743 215 C CB -1.316 26.170 27.740 -0.423 0.000 2.044 215 C HN 0.579 nan 8.230 nan 0.000 0.464 216 L N 1.519 122.571 121.223 -0.285 0.000 2.013 216 L HA -0.194 4.147 4.340 0.001 0.000 0.212 216 L C 2.693 179.420 176.870 -0.239 0.000 1.073 216 L CA 1.929 56.595 54.840 -0.290 0.000 0.753 216 L CB -0.687 41.226 42.059 -0.243 0.000 0.890 216 L HN 0.279 nan 8.230 nan 0.000 0.432 217 R N -0.870 119.526 120.500 -0.173 0.000 2.091 217 R HA -0.178 4.163 4.340 0.001 0.000 0.238 217 R C 2.249 178.480 176.300 -0.116 0.000 1.136 217 R CA 1.982 58.014 56.100 -0.113 0.000 0.959 217 R CB -0.502 29.745 30.300 -0.088 0.000 0.856 217 R HN 0.626 nan 8.270 nan 0.000 0.437 218 Q N 0.485 120.200 119.800 -0.142 0.000 2.083 218 Q HA -0.077 4.264 4.340 0.001 0.000 0.198 218 Q C 2.368 178.300 176.000 -0.113 0.000 0.969 218 Q CA 1.055 56.817 55.803 -0.068 0.000 0.838 218 Q CB -0.093 28.665 28.738 0.033 0.000 0.900 218 Q HN 0.339 nan 8.270 nan 0.000 0.436 219 L N 0.468 121.524 121.223 -0.278 0.000 2.012 219 L HA -0.200 4.141 4.340 0.001 0.000 0.210 219 L C 2.571 179.198 176.870 -0.404 0.000 1.073 219 L CA 1.137 55.638 54.840 -0.565 0.000 0.748 219 L CB -0.703 40.566 42.059 -1.317 0.000 0.891 219 L HN 0.194 nan 8.230 nan 0.000 0.431 220 A N -0.058 122.606 122.820 -0.261 0.000 1.978 220 A HA -0.190 4.131 4.320 0.001 0.000 0.220 220 A C 2.469 180.067 177.584 0.023 0.000 1.170 220 A CA 1.827 53.873 52.037 0.015 0.000 0.636 220 A CB -0.645 18.392 19.000 0.062 0.000 0.810 220 A HN 0.439 nan 8.150 nan 0.000 0.448 221 A N -1.083 121.725 122.820 -0.020 0.000 2.016 221 A HA 0.169 4.490 4.320 0.001 0.000 0.217 221 A C 2.130 179.726 177.584 0.020 0.000 1.162 221 A CA 1.478 53.518 52.037 0.006 0.000 0.662 221 A CB -0.436 18.562 19.000 -0.002 0.000 0.812 221 A HN 0.333 nan 8.150 nan 0.000 0.450 222 V N -1.295 118.620 119.914 0.003 0.000 2.446 222 V HA 0.197 4.317 4.120 0.001 0.000 0.244 222 V C 1.432 177.579 176.094 0.088 0.000 1.039 222 V CA 1.524 63.847 62.300 0.039 0.000 1.045 222 V CB -0.039 31.795 31.823 0.019 0.000 0.681 222 V HN 0.552 nan 8.190 nan 0.000 0.459 223 A N -0.490 122.381 122.820 0.084 0.000 3.216 223 A HA 0.577 4.897 4.320 0.001 0.000 0.321 223 A C -1.752 175.933 177.584 0.168 0.000 1.042 223 A CA -0.905 51.204 52.037 0.120 0.000 0.838 223 A CB 0.434 19.421 19.000 -0.023 0.000 1.136 223 A HN 0.260 nan 8.150 nan 0.000 0.483 224 P HA -0.281 nan 4.420 nan 0.000 0.215 224 P C 1.862 179.236 177.300 0.123 0.000 1.163 224 P CA 2.594 65.771 63.100 0.127 0.000 0.894 224 P CB 0.276 32.030 31.700 0.091 0.000 0.791 225 A N -0.971 121.905 122.820 0.094 0.000 1.972 225 A HA -0.147 4.173 4.320 0.001 0.000 0.219 225 A C 2.299 179.895 177.584 0.021 0.000 1.169 225 A CA 1.817 53.894 52.037 0.066 0.000 0.635 225 A CB -1.617 17.430 19.000 0.079 0.000 0.810 225 A HN 0.087 nan 8.150 nan 0.000 0.446 226 V N -2.227 117.671 119.914 -0.028 0.000 2.591 226 V HA -0.090 4.030 4.120 0.001 0.000 0.249 226 V C 1.508 177.356 176.094 -0.409 0.000 1.053 226 V CA 1.417 63.560 62.300 -0.261 0.000 1.068 226 V CB -0.710 30.808 31.823 -0.508 0.000 0.689 226 V HN 0.571 nan 8.190 nan 0.000 0.462 227 F N -0.576 119.417 119.950 0.072 0.000 2.654 227 F HA 0.522 5.049 4.527 0.001 0.000 0.303 227 F C 1.837 177.762 175.800 0.208 0.000 1.099 227 F CA 0.440 58.563 58.000 0.206 0.000 1.270 227 F CB -0.116 38.964 39.000 0.132 0.000 1.024 227 F HN 0.009 nan 8.300 nan 0.000 0.548 228 A N 0.435 123.377 122.820 0.204 0.000 1.968 228 A HA -0.147 4.174 4.320 0.001 0.000 0.217 228 A C 2.094 179.736 177.584 0.097 0.000 1.169 228 A CA 1.686 53.808 52.037 0.142 0.000 0.638 228 A CB -0.531 18.518 19.000 0.083 0.000 0.812 228 A HN 0.416 nan 8.150 nan 0.000 0.446 229 D N -0.626 119.779 120.400 0.008 0.000 2.309 229 D HA -0.116 4.524 4.640 0.001 0.000 0.212 229 D C 0.037 176.262 176.300 -0.124 0.000 0.968 229 D CA 0.230 54.171 54.000 -0.098 0.000 0.882 229 D CB -0.486 40.193 40.800 -0.202 0.000 0.918 229 D HN 0.414 nan 8.370 nan 0.000 0.503 230 F N 1.994 121.985 119.950 0.068 0.000 2.471 230 F HA 0.132 4.659 4.527 0.001 0.000 0.365 230 F C 1.055 176.883 175.800 0.047 0.000 1.095 230 F CA -0.204 57.836 58.000 0.066 0.000 1.174 230 F CB 0.609 39.671 39.000 0.104 0.000 1.105 230 F HN -0.293 nan 8.300 nan 0.000 0.535 231 E N 3.660 123.976 120.200 0.193 0.000 2.156 231 E HA 0.276 4.626 4.350 0.001 0.000 0.279 231 E C -0.671 175.995 176.600 0.111 0.000 0.965 231 E CA -0.550 55.922 56.400 0.118 0.000 0.789 231 E CB 2.229 31.969 29.700 0.067 0.000 1.098 231 E HN 0.210 nan 8.360 nan 0.000 0.397 232 V N 3.564 123.526 119.914 0.079 0.000 2.406 232 V HA 0.276 4.396 4.120 0.001 0.000 0.272 232 V C 0.359 176.469 176.094 0.027 0.000 1.043 232 V CA -0.258 62.069 62.300 0.045 0.000 0.915 232 V CB 1.079 32.917 31.823 0.025 0.000 0.988 232 V HN 0.743 nan 8.190 nan 0.000 0.466 233 T N 0.607 115.172 114.554 0.017 0.000 2.876 233 T HA 0.485 4.836 4.350 0.001 0.000 0.289 233 T C -0.286 174.411 174.700 -0.005 0.000 1.014 233 T CA -0.692 61.412 62.100 0.007 0.000 0.986 233 T CB 1.618 70.491 68.868 0.008 0.000 1.021 233 T HN 0.439 nan 8.240 nan 0.000 0.458 234 T N 3.712 118.262 114.554 -0.007 0.000 2.780 234 T HA 0.428 4.779 4.350 0.001 0.000 0.294 234 T C 0.597 175.288 174.700 -0.015 0.000 0.949 234 T CA -0.566 61.526 62.100 -0.013 0.000 1.074 234 T CB 0.110 68.971 68.868 -0.012 0.000 0.910 234 T HN 0.428 nan 8.240 nan 0.000 0.501 235 L N 1.981 123.192 121.223 -0.021 0.000 2.482 235 L HA 0.336 4.676 4.340 0.001 0.000 0.242 235 L C 2.158 179.015 176.870 -0.021 0.000 1.210 235 L CA -0.724 54.101 54.840 -0.024 0.000 0.819 235 L CB -0.029 42.010 42.059 -0.033 0.000 1.203 235 L HN 0.741 nan 8.230 nan 0.000 0.495 236 A N 0.964 123.771 122.820 -0.021 0.000 1.884 236 A HA -0.251 4.070 4.320 0.001 0.000 0.219 236 A C 1.587 179.160 177.584 -0.017 0.000 1.197 236 A CA 2.148 54.174 52.037 -0.018 0.000 0.637 236 A CB -0.837 18.152 19.000 -0.018 0.000 0.827 236 A HN 0.947 nan 8.150 nan 0.000 0.450 237 D N -1.788 118.600 120.400 -0.020 0.000 2.378 237 D HA 0.249 4.890 4.640 0.001 0.000 0.227 237 D C 1.154 177.443 176.300 -0.019 0.000 1.012 237 D CA 1.062 55.050 54.000 -0.019 0.000 0.905 237 D CB -0.829 39.959 40.800 -0.021 0.000 0.895 237 D HN 1.028 nan 8.370 nan 0.000 0.532 238 G N 0.078 108.866 108.800 -0.019 0.000 2.159 238 G HA2 -0.274 3.687 3.960 0.001 0.000 0.256 238 G HA3 -0.274 3.687 3.960 0.001 0.000 0.256 238 G C 0.463 175.350 174.900 -0.022 0.000 0.977 238 G CA 0.552 45.641 45.100 -0.018 0.000 0.652 238 G HN 0.776 nan 8.290 nan 0.000 0.531 239 T N -1.343 113.196 114.554 -0.026 0.000 2.882 239 T HA 0.625 4.976 4.350 0.001 0.000 0.287 239 T C 0.004 174.686 174.700 -0.031 0.000 1.014 239 T CA -0.221 61.861 62.100 -0.030 0.000 1.049 239 T CB 2.263 71.110 68.868 -0.034 0.000 1.001 239 T HN 0.353 nan 8.240 nan 0.000 0.525 240 E N 0.322 120.501 120.200 -0.035 0.000 2.231 240 E HA 0.551 4.902 4.350 0.001 0.000 0.277 240 E C -0.192 176.384 176.600 -0.040 0.000 0.999 240 E CA -1.062 55.318 56.400 -0.033 0.000 0.827 240 E CB 1.747 31.427 29.700 -0.033 0.000 1.101 240 E HN 0.681 nan 8.360 nan 0.000 0.393 241 V N -1.177 118.719 119.914 -0.030 0.000 2.960 241 V HA 0.949 5.070 4.120 0.001 0.000 0.315 241 V C -0.695 175.396 176.094 -0.004 0.000 1.087 241 V CA -0.981 61.302 62.300 -0.029 0.000 0.982 241 V CB 1.721 33.527 31.823 -0.028 0.000 1.039 241 V HN 0.701 nan 8.190 nan 0.000 0.437 242 A N 2.127 124.952 122.820 0.008 0.000 2.374 242 A HA 0.967 5.287 4.320 0.001 0.000 0.305 242 A C -0.130 177.556 177.584 0.171 0.000 1.053 242 A CA -0.062 52.022 52.037 0.078 0.000 0.726 242 A CB 1.653 20.662 19.000 0.016 0.000 1.229 242 A HN 1.741 nan 8.150 nan 0.000 0.431 243 T N -1.122 113.569 114.554 0.229 0.000 2.916 243 T HA 0.792 5.143 4.350 0.001 0.000 0.305 243 T C -0.235 174.551 174.700 0.144 0.000 1.119 243 T CA -0.353 61.870 62.100 0.204 0.000 1.008 243 T CB 1.597 70.520 68.868 0.093 0.000 1.129 243 T HN 1.276 nan 8.240 nan 0.000 0.480 244 S N 0.000 115.698 115.700 -0.003 0.000 2.498 244 S HA 0.000 4.471 4.470 0.001 0.000 0.327 244 S CA 0.000 58.075 58.200 -0.208 0.000 1.107 244 S CB 0.000 62.782 63.200 -0.696 0.000 0.593 244 S HN 0.000 nan 8.310 nan 0.000 0.517