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 3k6m_1_D DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYXXXXX IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKEXX DATA SEQUENCE XXXXXXXXXX XVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.741 174.700 0.068 0.000 1.109 1 T CA 0.000 62.125 62.100 0.041 0.000 1.349 1 T CB 0.000 68.828 68.868 -0.066 0.000 0.612 2 K N 2.543 122.976 120.400 0.054 0.000 2.211 2 K HA 0.637 4.957 4.320 -0.001 0.000 0.275 2 K C -1.080 175.531 176.600 0.018 0.000 1.024 2 K CA -0.623 55.707 56.287 0.071 0.000 0.887 2 K CB 0.514 33.054 32.500 0.068 0.000 1.084 2 K HN 0.383 nan 8.250 nan 0.000 0.463 3 F N 3.671 123.597 119.950 -0.039 0.000 2.394 3 F HA 0.310 4.836 4.527 -0.001 0.000 0.340 3 F C -0.361 175.354 175.800 -0.141 0.000 1.105 3 F CA -0.134 57.876 58.000 0.016 0.000 1.124 3 F CB 0.700 39.703 39.000 0.005 0.000 1.145 3 F HN 0.408 nan 8.300 nan 0.000 0.505 4 Y N -0.070 120.337 120.300 0.179 0.000 2.446 4 Y HA 0.273 4.823 4.550 -0.001 0.000 0.345 4 Y C 1.201 177.170 175.900 0.115 0.000 0.984 4 Y CA -0.915 57.255 58.100 0.117 0.000 1.058 4 Y CB 1.957 40.461 38.460 0.073 0.000 1.220 4 Y HN 0.635 nan 8.280 nan 0.000 0.455 5 T N -3.220 111.465 114.554 0.219 0.000 3.054 5 T HA 0.039 4.388 4.350 -0.001 0.000 0.259 5 T C 0.030 174.814 174.700 0.140 0.000 1.092 5 T CA 0.601 62.792 62.100 0.152 0.000 1.121 5 T CB 0.137 69.062 68.868 0.095 0.000 0.912 5 T HN 0.451 nan 8.240 nan 0.000 0.489 6 D N 0.264 120.764 120.400 0.165 0.000 2.492 6 D HA 0.650 5.289 4.640 -0.001 0.000 0.248 6 D C 0.962 177.308 176.300 0.077 0.000 1.101 6 D CA -0.374 53.689 54.000 0.104 0.000 0.840 6 D CB 1.854 42.709 40.800 0.091 0.000 1.209 6 D HN 0.080 nan 8.370 nan 0.000 0.524 7 A N 3.210 126.045 122.820 0.025 0.000 1.940 7 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 7 A C 2.126 179.667 177.584 -0.071 0.000 1.176 7 A CA 1.423 53.439 52.037 -0.035 0.000 0.631 7 A CB -0.395 18.584 19.000 -0.035 0.000 0.814 7 A HN 0.500 nan 8.150 nan 0.000 0.446 8 V N 0.241 120.131 119.914 -0.039 0.000 2.343 8 V HA -0.222 3.898 4.120 -0.001 0.000 0.247 8 V C 2.540 178.604 176.094 -0.049 0.000 1.051 8 V CA 2.092 64.362 62.300 -0.049 0.000 1.036 8 V CB -0.675 31.132 31.823 -0.027 0.000 0.654 8 V HN 0.523 nan 8.190 nan 0.000 0.451 9 E N 0.353 120.553 120.200 0.000 0.000 2.118 9 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 9 E C 2.323 178.873 176.600 -0.085 0.000 0.992 9 E CA 1.494 57.928 56.400 0.056 0.000 0.804 9 E CB -0.426 29.402 29.700 0.214 0.000 0.741 9 E HN 0.592 nan 8.360 nan 0.000 0.458 10 A N 0.825 123.427 122.820 -0.363 0.000 2.067 10 A HA -0.091 4.228 4.320 -0.001 0.000 0.219 10 A C 2.163 179.545 177.584 -0.336 0.000 1.158 10 A CA 1.532 53.115 52.037 -0.755 0.000 0.661 10 A CB -0.092 18.441 19.000 -0.778 0.000 0.801 10 A HN 0.186 nan 8.150 nan 0.000 0.452 11 V N -2.974 116.809 119.914 -0.219 0.000 3.346 11 V HA 0.166 4.285 4.120 -0.001 0.000 0.309 11 V C 1.416 177.386 176.094 -0.208 0.000 1.457 11 V CA 0.608 62.773 62.300 -0.226 0.000 1.069 11 V CB -0.462 31.227 31.823 -0.222 0.000 0.944 11 V HN 0.597 nan 8.190 nan 0.000 0.449 12 K N 2.083 122.410 120.400 -0.122 0.000 2.283 12 K HA -0.112 4.208 4.320 -0.001 0.000 0.202 12 K C 1.215 177.768 176.600 -0.079 0.000 1.048 12 K CA 1.686 57.922 56.287 -0.085 0.000 0.948 12 K CB -0.385 32.094 32.500 -0.034 0.000 0.742 12 K HN 0.590 nan 8.250 nan 0.000 0.458 13 D N 1.360 121.723 120.400 -0.062 0.000 2.328 13 D HA 0.002 4.641 4.640 -0.001 0.000 0.226 13 D C 0.446 176.707 176.300 -0.065 0.000 1.066 13 D CA -0.218 53.779 54.000 -0.005 0.000 0.861 13 D CB -0.288 40.575 40.800 0.105 0.000 0.912 13 D HN 0.275 nan 8.370 nan 0.000 0.521 14 I N 2.724 123.091 120.570 -0.338 0.000 2.587 14 I HA 0.081 4.250 4.170 -0.001 0.000 0.284 14 I C -1.803 174.215 176.117 -0.165 0.000 1.134 14 I CA -1.400 59.606 61.300 -0.491 0.000 1.410 14 I CB 0.377 37.931 38.000 -0.743 0.000 1.392 14 I HN -0.139 nan 8.210 nan 0.000 0.545 15 P HA 0.145 nan 4.420 nan 0.000 0.281 15 P C -0.906 176.382 177.300 -0.020 0.000 1.249 15 P CA -0.623 62.474 63.100 -0.004 0.000 0.810 15 P CB 0.560 32.288 31.700 0.047 0.000 1.008 16 N N 0.485 119.173 118.700 -0.019 0.000 2.412 16 N HA 0.168 4.907 4.740 -0.001 0.000 0.254 16 N C 1.611 177.118 175.510 -0.004 0.000 1.232 16 N CA 1.664 54.703 53.050 -0.019 0.000 0.880 16 N CB -0.403 38.075 38.487 -0.015 0.000 1.076 16 N HN 0.813 nan 8.380 nan 0.000 0.458 17 G N -0.561 108.235 108.800 -0.007 0.000 2.175 17 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.244 17 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.244 17 G C 0.309 175.219 174.900 0.016 0.000 0.982 17 G CA 0.265 45.367 45.100 0.003 0.000 0.641 17 G HN 0.924 nan 8.290 nan 0.000 0.527 18 A N 0.006 122.840 122.820 0.023 0.000 2.425 18 A HA 0.626 4.945 4.320 -0.001 0.000 0.242 18 A C 0.719 178.333 177.584 0.049 0.000 1.077 18 A CA 1.275 53.350 52.037 0.063 0.000 0.781 18 A CB 0.324 19.384 19.000 0.099 0.000 1.020 18 A HN 0.770 nan 8.150 nan 0.000 0.494 19 T N 1.515 116.113 114.554 0.072 0.000 2.744 19 T HA 0.497 4.846 4.350 -0.001 0.000 0.291 19 T C -0.499 174.254 174.700 0.087 0.000 0.957 19 T CA -0.120 62.013 62.100 0.054 0.000 1.002 19 T CB 0.536 69.429 68.868 0.042 0.000 0.919 19 T HN 0.443 nan 8.240 nan 0.000 0.468 20 V N 5.576 125.523 119.914 0.055 0.000 2.483 20 V HA 0.403 4.523 4.120 -0.001 0.000 0.297 20 V C -0.145 175.969 176.094 0.033 0.000 1.027 20 V CA -0.983 61.360 62.300 0.072 0.000 0.855 20 V CB 1.631 33.470 31.823 0.025 0.000 0.995 20 V HN 0.750 nan 8.190 nan 0.000 0.424 21 L N 5.130 126.385 121.223 0.053 0.000 2.331 21 L HA 0.604 4.943 4.340 -0.001 0.000 0.278 21 L C -0.530 176.354 176.870 0.022 0.000 1.106 21 L CA -0.514 54.343 54.840 0.029 0.000 0.824 21 L CB 1.205 43.291 42.059 0.046 0.000 1.142 21 L HN 0.358 nan 8.230 nan 0.000 0.443 22 V N 2.131 122.040 119.914 -0.009 0.000 2.443 22 V HA 0.458 4.577 4.120 -0.001 0.000 0.293 22 V C 0.741 176.837 176.094 0.003 0.000 1.021 22 V CA -0.664 61.630 62.300 -0.010 0.000 0.848 22 V CB 1.388 33.181 31.823 -0.050 0.000 0.998 22 V HN 0.904 nan 8.190 nan 0.000 0.424 23 G N 2.443 111.274 108.800 0.051 0.000 2.667 23 G HA2 0.583 4.542 3.960 -0.001 0.000 0.250 23 G HA3 0.583 4.542 3.960 -0.001 0.000 0.250 23 G C 0.305 175.260 174.900 0.093 0.000 1.212 23 G CA 0.473 45.633 45.100 0.099 0.000 0.874 23 G HN 1.709 nan 8.290 nan 0.000 0.561 24 G N -1.686 107.209 108.800 0.159 0.000 2.428 24 G HA2 0.373 4.333 3.960 -0.001 0.000 0.681 24 G HA3 0.373 4.333 3.960 -0.001 0.000 0.681 24 G C -1.200 173.860 174.900 0.267 0.000 1.340 24 G CA -0.434 44.774 45.100 0.181 0.000 0.915 24 G HN 1.355 nan 8.290 nan 0.000 0.645 25 F N 2.508 122.535 119.950 0.129 0.000 2.500 25 F HA 0.600 5.127 4.527 -0.000 0.000 0.349 25 F C 1.008 176.883 175.800 0.125 0.000 1.127 25 F CA 1.370 59.462 58.000 0.153 0.000 0.998 25 F CB 1.020 40.127 39.000 0.178 0.000 1.237 25 F HN 2.242 nan 8.300 nan 0.000 0.439 26 G N 4.900 113.550 108.800 -0.250 0.000 2.583 26 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.292 26 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.292 26 G C 0.452 175.377 174.900 0.042 0.000 1.203 26 G CA 0.279 45.316 45.100 -0.105 0.000 0.987 26 G HN 0.746 nan 8.290 nan 0.000 0.554 27 L N 0.401 121.684 121.223 0.100 0.000 2.628 27 L HA 0.287 4.626 4.340 -0.001 0.000 0.229 27 L C 1.381 178.349 176.870 0.163 0.000 1.137 27 L CA -0.198 54.735 54.840 0.154 0.000 0.909 27 L CB 0.370 42.542 42.059 0.189 0.000 1.137 27 L HN 0.523 nan 8.230 nan 0.000 0.470 28 C N 1.545 120.948 119.300 0.171 0.000 2.373 28 C HA 0.527 4.987 4.460 -0.001 0.000 0.354 28 C C 1.648 176.734 174.990 0.160 0.000 1.249 28 C CA 0.233 59.350 59.018 0.164 0.000 1.784 28 C CB -0.954 26.904 27.740 0.196 0.000 2.408 28 C HN 0.840 nan 8.230 nan 0.000 0.542 29 G N 5.851 114.730 108.800 0.131 0.000 2.198 29 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.257 29 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.257 29 G C -0.052 174.939 174.900 0.151 0.000 1.042 29 G CA 0.507 45.691 45.100 0.141 0.000 0.791 29 G HN 1.352 nan 8.290 nan 0.000 0.502 30 I N -1.811 118.844 120.570 0.142 0.000 2.532 30 I HA 0.617 4.786 4.170 -0.001 0.000 0.292 30 I C -1.830 174.353 176.117 0.109 0.000 1.014 30 I CA -2.970 58.391 61.300 0.100 0.000 1.340 30 I CB 1.421 39.454 38.000 0.055 0.000 1.422 30 I HN -0.073 nan 8.210 nan 0.000 0.528 31 P HA 0.101 nan 4.420 nan 0.000 0.238 31 P C 0.164 177.460 177.300 -0.005 0.000 1.794 31 P CA -0.164 62.979 63.100 0.072 0.000 1.088 31 P CB 0.177 31.909 31.700 0.053 0.000 1.923 32 E N 1.940 122.140 120.200 -0.001 0.000 2.150 32 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 32 E C 0.946 177.463 176.600 -0.138 0.000 0.985 32 E CA 0.779 57.096 56.400 -0.139 0.000 0.814 32 E CB -0.445 29.210 29.700 -0.076 0.000 0.752 32 E HN 0.253 nan 8.360 nan 0.000 0.466 33 N N 1.057 119.697 118.700 -0.100 0.000 2.250 33 N HA -0.028 4.711 4.740 -0.001 0.000 0.181 33 N C 2.131 177.593 175.510 -0.080 0.000 1.017 33 N CA 0.878 53.862 53.050 -0.110 0.000 0.866 33 N CB -0.033 38.376 38.487 -0.130 0.000 0.985 33 N HN 0.256 nan 8.380 nan 0.000 0.429 34 L N 0.981 122.171 121.223 -0.056 0.000 2.093 34 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 34 L C 2.255 179.071 176.870 -0.090 0.000 1.085 34 L CA 0.709 55.511 54.840 -0.064 0.000 0.755 34 L CB -0.373 41.664 42.059 -0.037 0.000 0.904 34 L HN 0.067 nan 8.230 nan 0.000 0.435 35 I N 0.157 120.664 120.570 -0.106 0.000 2.226 35 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 35 I C 2.641 178.680 176.117 -0.130 0.000 1.100 35 I CA 1.502 62.722 61.300 -0.133 0.000 1.374 35 I CB -0.817 37.075 38.000 -0.180 0.000 1.057 35 I HN 0.268 nan 8.210 nan 0.000 0.413 36 G N 0.406 109.129 108.800 -0.129 0.000 2.422 36 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 36 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 36 G C 1.834 176.685 174.900 -0.083 0.000 1.146 36 G CA 0.833 45.872 45.100 -0.102 0.000 0.769 36 G HN 0.502 nan 8.290 nan 0.000 0.547 37 A N 0.229 122.999 122.820 -0.084 0.000 1.930 37 A HA 0.160 4.480 4.320 -0.001 0.000 0.217 37 A C 2.288 179.819 177.584 -0.088 0.000 1.175 37 A CA 1.168 53.158 52.037 -0.079 0.000 0.627 37 A CB -0.298 18.653 19.000 -0.083 0.000 0.815 37 A HN 0.280 nan 8.150 nan 0.000 0.443 38 L N -0.268 120.894 121.223 -0.101 0.000 2.141 38 L HA -0.077 4.262 4.340 -0.001 0.000 0.209 38 L C 2.388 179.205 176.870 -0.088 0.000 1.094 38 L CA 1.170 55.946 54.840 -0.106 0.000 0.763 38 L CB -0.775 41.213 42.059 -0.118 0.000 0.908 38 L HN 0.355 nan 8.230 nan 0.000 0.437 39 L N -0.923 120.251 121.223 -0.082 0.000 2.042 39 L HA -0.264 4.075 4.340 -0.001 0.000 0.210 39 L C 2.482 179.319 176.870 -0.055 0.000 1.076 39 L CA 1.377 56.177 54.840 -0.067 0.000 0.749 39 L CB -0.489 41.532 42.059 -0.063 0.000 0.893 39 L HN 0.261 nan 8.230 nan 0.000 0.432 40 K N -0.542 119.825 120.400 -0.054 0.000 2.097 40 K HA -0.132 4.187 4.320 -0.001 0.000 0.205 40 K C 2.119 178.692 176.600 -0.045 0.000 1.050 40 K CA 1.857 58.118 56.287 -0.044 0.000 0.938 40 K CB -0.306 32.170 32.500 -0.039 0.000 0.718 40 K HN 0.460 nan 8.250 nan 0.000 0.442 41 T N -2.447 112.072 114.554 -0.058 0.000 2.985 41 T HA 0.038 4.387 4.350 -0.001 0.000 0.266 41 T C 1.577 176.244 174.700 -0.054 0.000 1.076 41 T CA 0.865 62.930 62.100 -0.059 0.000 1.135 41 T CB -0.160 68.660 68.868 -0.080 0.000 0.890 41 T HN 0.365 nan 8.240 nan 0.000 0.480 42 G N 0.807 109.572 108.800 -0.057 0.000 2.153 42 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.252 42 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.252 42 G C 0.227 175.094 174.900 -0.054 0.000 0.994 42 G CA 0.167 45.237 45.100 -0.050 0.000 0.698 42 G HN 0.981 nan 8.290 nan 0.000 0.521 43 V N 1.051 120.923 119.914 -0.069 0.000 2.694 43 V HA 0.500 4.620 4.120 -0.001 0.000 0.306 43 V C 0.822 176.878 176.094 -0.063 0.000 1.054 43 V CA 1.158 63.414 62.300 -0.072 0.000 1.161 43 V CB 0.682 32.442 31.823 -0.104 0.000 0.916 43 V HN 0.725 nan 8.190 nan 0.000 0.490 44 K N 4.030 124.400 120.400 -0.050 0.000 2.349 44 K HA 0.578 4.897 4.320 -0.001 0.000 0.243 44 K C -0.326 176.253 176.600 -0.035 0.000 1.058 44 K CA -0.783 55.480 56.287 -0.041 0.000 0.871 44 K CB 1.255 33.736 32.500 -0.032 0.000 1.337 44 K HN 0.389 nan 8.250 nan 0.000 0.469 45 E N 0.404 120.586 120.200 -0.029 0.000 2.476 45 E HA -0.183 4.166 4.350 -0.001 0.000 0.251 45 E C -0.587 175.999 176.600 -0.024 0.000 1.130 45 E CA 0.605 56.992 56.400 -0.022 0.000 0.736 45 E CB -1.596 28.096 29.700 -0.013 0.000 1.298 45 E HN 0.497 nan 8.360 nan 0.000 0.400 46 L N 0.418 121.619 121.223 -0.037 0.000 2.426 46 L HA 0.137 4.477 4.340 -0.001 0.000 0.271 46 L C 1.039 177.887 176.870 -0.036 0.000 1.169 46 L CA 0.345 55.162 54.840 -0.039 0.000 0.836 46 L CB 0.642 42.666 42.059 -0.059 0.000 1.112 46 L HN -0.132 nan 8.230 nan 0.000 0.465 47 T N 2.724 117.264 114.554 -0.024 0.000 2.738 47 T HA 0.472 4.821 4.350 -0.001 0.000 0.298 47 T C 0.051 174.729 174.700 -0.036 0.000 0.962 47 T CA -0.439 61.645 62.100 -0.027 0.000 0.972 47 T CB 0.974 69.836 68.868 -0.011 0.000 0.928 47 T HN 0.645 nan 8.240 nan 0.000 0.474 48 A N 3.868 126.650 122.820 -0.063 0.000 2.258 48 A HA 0.631 4.950 4.320 -0.001 0.000 0.316 48 A C -0.078 177.456 177.584 -0.083 0.000 1.279 48 A CA -0.624 51.365 52.037 -0.079 0.000 0.876 48 A CB 0.518 19.446 19.000 -0.121 0.000 1.170 48 A HN 0.665 nan 8.150 nan 0.000 0.520 49 V N 2.698 122.574 119.914 -0.064 0.000 2.334 49 V HA 0.595 4.715 4.120 -0.001 0.000 0.267 49 V C 0.385 176.413 176.094 -0.111 0.000 1.040 49 V CA 0.079 62.336 62.300 -0.072 0.000 0.866 49 V CB 0.506 32.308 31.823 -0.036 0.000 1.019 49 V HN 0.871 nan 8.190 nan 0.000 0.468 50 S N 3.176 118.779 115.700 -0.162 0.000 2.535 50 S HA 0.325 4.794 4.470 -0.001 0.000 0.272 50 S C 0.690 175.128 174.600 -0.272 0.000 1.149 50 S CA -0.623 57.448 58.200 -0.215 0.000 0.888 50 S CB 1.701 64.804 63.200 -0.162 0.000 1.110 50 S HN 0.770 nan 8.310 nan 0.000 0.463 51 N N 3.282 121.717 118.700 -0.441 0.000 2.104 51 N HA -0.032 4.707 4.740 -0.001 0.000 0.190 51 N C 0.296 175.734 175.510 -0.120 0.000 1.024 51 N CA 1.941 54.748 53.050 -0.405 0.000 0.853 51 N CB -0.025 38.184 38.487 -0.463 0.000 1.008 51 N HN 0.678 nan 8.380 nan 0.000 0.424 52 N N -2.282 116.369 118.700 -0.083 0.000 3.091 52 N HA 0.615 5.354 4.740 -0.001 0.000 0.329 52 N C -1.351 174.155 175.510 -0.007 0.000 1.430 52 N CA -0.468 52.599 53.050 0.029 0.000 0.755 52 N CB 1.468 39.941 38.487 -0.023 0.000 1.626 52 N HN 0.046 nan 8.380 nan 0.000 0.614 53 A N 0.076 122.921 122.820 0.042 0.000 2.985 53 A HA 0.692 5.012 4.320 -0.001 0.000 0.303 53 A C 0.838 178.376 177.584 -0.077 0.000 1.048 53 A CA 0.097 52.008 52.037 -0.209 0.000 1.016 53 A CB -1.107 17.403 19.000 -0.817 0.000 1.118 53 A HN 0.941 nan 8.150 nan 0.000 0.529 54 G N -0.304 108.481 108.800 -0.025 0.000 2.574 54 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.286 54 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.286 54 G C 0.502 175.438 174.900 0.059 0.000 1.212 54 G CA 1.062 46.172 45.100 0.017 0.000 0.979 54 G HN 1.960 nan 8.290 nan 0.000 0.557 55 V N -3.094 116.870 119.914 0.084 0.000 3.181 55 V HA 0.798 4.917 4.120 -0.001 0.000 0.314 55 V C 1.186 177.329 176.094 0.082 0.000 1.173 55 V CA 0.704 63.057 62.300 0.090 0.000 1.052 55 V CB 1.379 33.261 31.823 0.099 0.000 1.123 55 V HN 0.628 nan 8.190 nan 0.000 0.454 56 D N 0.547 120.992 120.400 0.074 0.000 2.149 56 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 56 D C 1.072 177.409 176.300 0.063 0.000 0.990 56 D CA 2.168 56.206 54.000 0.062 0.000 0.839 56 D CB -0.223 40.608 40.800 0.052 0.000 0.948 56 D HN 0.687 nan 8.370 nan 0.000 0.460 57 N N -0.958 117.798 118.700 0.092 0.000 2.338 57 N HA 0.180 4.919 4.740 -0.001 0.000 0.251 57 N C -0.765 174.891 175.510 0.244 0.000 1.199 57 N CA -0.124 52.996 53.050 0.118 0.000 0.879 57 N CB 1.135 39.676 38.487 0.090 0.000 1.159 57 N HN 0.062 nan 8.380 nan 0.000 0.514 58 F N -0.144 119.801 119.950 -0.009 0.000 2.741 58 F HA 0.499 5.025 4.527 -0.001 0.000 0.311 58 F C 0.712 176.503 175.800 -0.016 0.000 1.149 58 F CA 0.271 58.266 58.000 -0.009 0.000 0.930 58 F CB 0.851 39.852 39.000 0.002 0.000 1.312 58 F HN 0.157 nan 8.300 nan 0.000 0.450 59 G N 2.582 111.062 108.800 -0.534 0.000 2.564 59 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.273 59 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.273 59 G C 0.755 175.518 174.900 -0.228 0.000 1.242 59 G CA 0.147 45.054 45.100 -0.322 0.000 0.951 59 G HN 0.963 nan 8.290 nan 0.000 0.564 60 L N 1.952 123.071 121.223 -0.173 0.000 2.353 60 L HA 0.037 4.377 4.340 -0.001 0.000 0.220 60 L C 3.192 179.950 176.870 -0.186 0.000 1.133 60 L CA 1.482 56.209 54.840 -0.188 0.000 0.798 60 L CB -0.858 41.071 42.059 -0.216 0.000 0.922 60 L HN 0.825 nan 8.230 nan 0.000 0.445 61 G N 0.427 109.143 108.800 -0.140 0.000 2.475 61 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 61 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 61 G C 1.578 176.430 174.900 -0.079 0.000 1.125 61 G CA 0.662 45.706 45.100 -0.093 0.000 0.755 61 G HN 0.308 nan 8.290 nan 0.000 0.565 62 L N -0.303 120.865 121.223 -0.091 0.000 2.083 62 L HA -0.010 4.330 4.340 -0.001 0.000 0.209 62 L C 2.775 179.594 176.870 -0.084 0.000 1.083 62 L CA 0.612 55.405 54.840 -0.078 0.000 0.752 62 L CB -0.318 41.677 42.059 -0.106 0.000 0.899 62 L HN 0.205 nan 8.230 nan 0.000 0.433 63 L N -0.929 120.227 121.223 -0.112 0.000 2.313 63 L HA -0.116 4.223 4.340 -0.001 0.000 0.214 63 L C 2.354 179.163 176.870 -0.101 0.000 1.119 63 L CA 0.483 55.258 54.840 -0.107 0.000 0.809 63 L CB -0.244 41.741 42.059 -0.125 0.000 0.933 63 L HN 0.270 nan 8.230 nan 0.000 0.449 64 L N -0.879 120.275 121.223 -0.115 0.000 2.044 64 L HA -0.161 4.179 4.340 -0.001 0.000 0.205 64 L C 2.799 179.641 176.870 -0.047 0.000 1.075 64 L CA 0.914 55.699 54.840 -0.092 0.000 0.747 64 L CB -0.549 41.440 42.059 -0.117 0.000 0.903 64 L HN 0.295 nan 8.230 nan 0.000 0.435 65 Q N 0.161 119.938 119.800 -0.039 0.000 2.112 65 Q HA -0.205 4.134 4.340 -0.001 0.000 0.206 65 Q C 2.334 178.322 176.000 -0.021 0.000 0.987 65 Q CA 2.107 57.899 55.803 -0.019 0.000 0.858 65 Q CB -0.484 28.246 28.738 -0.013 0.000 0.905 65 Q HN 0.618 nan 8.270 nan 0.000 0.420 66 S N -0.199 115.481 115.700 -0.034 0.000 2.603 66 S HA 0.033 4.503 4.470 -0.001 0.000 0.220 66 S C 0.371 174.952 174.600 -0.031 0.000 0.967 66 S CA -0.047 58.134 58.200 -0.032 0.000 0.920 66 S CB 0.205 63.381 63.200 -0.041 0.000 0.773 66 S HN 0.166 nan 8.310 nan 0.000 0.529 67 K N 0.331 120.712 120.400 -0.032 0.000 3.129 67 K HA -0.211 4.109 4.320 -0.001 0.000 0.273 67 K C 0.177 176.757 176.600 -0.035 0.000 1.123 67 K CA 1.016 57.287 56.287 -0.027 0.000 0.800 67 K CB -2.511 29.981 32.500 -0.015 0.000 1.238 67 K HN 0.679 nan 8.250 nan 0.000 0.492 68 Q N -0.331 119.440 119.800 -0.050 0.000 2.392 68 Q HA 0.243 4.583 4.340 -0.001 0.000 0.203 68 Q C 0.501 176.465 176.000 -0.060 0.000 0.917 68 Q CA 0.370 56.140 55.803 -0.055 0.000 0.939 68 Q CB 0.404 29.103 28.738 -0.066 0.000 1.063 68 Q HN 0.407 nan 8.270 nan 0.000 0.516 69 I N 0.812 121.343 120.570 -0.066 0.000 2.362 69 I HA 0.115 4.284 4.170 -0.001 0.000 0.289 69 I C 0.847 176.936 176.117 -0.048 0.000 0.994 69 I CA -0.295 60.961 61.300 -0.073 0.000 1.158 69 I CB 1.633 39.564 38.000 -0.116 0.000 1.315 69 I HN -0.056 nan 8.210 nan 0.000 0.451 70 K N 5.865 126.244 120.400 -0.035 0.000 2.098 70 K HA 0.129 4.448 4.320 -0.001 0.000 0.203 70 K C 0.757 177.350 176.600 -0.011 0.000 1.051 70 K CA 0.797 57.075 56.287 -0.015 0.000 0.957 70 K CB 0.481 32.974 32.500 -0.010 0.000 0.738 70 K HN 0.546 nan 8.250 nan 0.000 0.447 71 R N 0.529 121.013 120.500 -0.028 0.000 2.564 71 R HA 0.232 4.572 4.340 -0.001 0.000 0.284 71 R C -1.319 174.945 176.300 -0.059 0.000 1.031 71 R CA -0.643 55.440 56.100 -0.028 0.000 0.904 71 R CB 1.242 31.532 30.300 -0.017 0.000 1.199 71 R HN 0.022 nan 8.270 nan 0.000 0.443 72 M N 5.369 124.929 119.600 -0.066 0.000 2.264 72 M HA 0.409 4.889 4.480 -0.001 0.000 0.352 72 M C -0.478 175.791 176.300 -0.053 0.000 1.173 72 M CA -0.529 54.717 55.300 -0.090 0.000 1.075 72 M CB 1.366 33.897 32.600 -0.115 0.000 1.621 72 M HN 0.544 nan 8.290 nan 0.000 0.457 73 I N 2.220 122.755 120.570 -0.058 0.000 2.390 73 I HA 0.397 4.566 4.170 -0.001 0.000 0.283 73 I C -0.354 175.728 176.117 -0.059 0.000 1.016 73 I CA -0.106 61.165 61.300 -0.048 0.000 1.151 73 I CB 1.175 39.150 38.000 -0.041 0.000 1.293 73 I HN 0.593 nan 8.210 nan 0.000 0.458 74 S N 1.954 117.632 115.700 -0.038 0.000 2.596 74 S HA 0.280 4.750 4.470 -0.001 0.000 0.270 74 S C 0.447 175.037 174.600 -0.017 0.000 1.155 74 S CA -0.580 57.603 58.200 -0.028 0.000 0.827 74 S CB 2.064 65.317 63.200 0.088 0.000 1.130 74 S HN 0.694 nan 8.310 nan 0.000 0.467 75 S N -0.072 115.628 115.700 0.000 0.000 2.497 75 S HA 0.289 4.758 4.470 -0.001 0.000 0.218 75 S C -0.209 174.483 174.600 0.153 0.000 1.023 75 S CA 0.133 58.358 58.200 0.041 0.000 0.913 75 S CB 0.003 63.231 63.200 0.047 0.000 0.800 75 S HN 0.720 nan 8.310 nan 0.000 0.505 76 Y N 0.268 120.559 120.300 -0.015 0.000 2.390 76 Y HA 0.477 5.026 4.550 -0.001 0.000 0.324 76 Y C 0.318 176.193 175.900 -0.041 0.000 1.151 76 Y CA -1.328 56.760 58.100 -0.020 0.000 1.053 76 Y CB 1.269 39.730 38.460 0.001 0.000 1.277 76 Y HN -0.160 nan 8.280 nan 0.000 0.432 77 V N 4.932 124.390 119.914 -0.759 0.000 2.453 77 V HA 0.065 4.184 4.120 -0.001 0.000 0.247 77 V C 1.606 177.288 176.094 -0.686 0.000 1.048 77 V CA 1.965 63.758 62.300 -0.846 0.000 1.049 77 V CB -1.267 29.954 31.823 -1.003 0.000 0.672 77 V HN 1.268 nan 8.190 nan 0.000 0.457 78 G N 0.767 108.719 108.800 -1.412 0.000 2.564 78 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.273 78 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.273 78 G C -0.040 174.749 174.900 -0.185 0.000 1.242 78 G CA 0.183 44.953 45.100 -0.550 0.000 0.951 78 G HN 0.397 nan 8.290 nan 0.000 0.564 79 E N 1.857 122.056 120.200 -0.001 0.000 2.452 79 E HA 0.186 4.535 4.350 -0.001 0.000 0.293 79 E C 0.397 177.014 176.600 0.029 0.000 1.535 79 E CA -0.182 56.231 56.400 0.021 0.000 1.816 79 E CB -0.270 29.463 29.700 0.054 0.000 1.494 79 E HN 0.415 nan 8.360 nan 0.000 0.464 80 N N 0.544 119.257 118.700 0.022 0.000 2.626 80 N HA 0.204 4.944 4.740 -0.001 0.000 0.249 80 N C 0.379 175.927 175.510 0.064 0.000 1.021 80 N CA -0.219 52.879 53.050 0.080 0.000 0.886 80 N CB 1.266 39.863 38.487 0.183 0.000 1.149 80 N HN 0.024 nan 8.380 nan 0.000 0.517 81 A N 2.631 125.478 122.820 0.046 0.000 2.015 81 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 81 A C 1.785 179.404 177.584 0.058 0.000 1.163 81 A CA 1.429 53.485 52.037 0.032 0.000 0.646 81 A CB -0.207 18.806 19.000 0.021 0.000 0.806 81 A HN 0.678 nan 8.150 nan 0.000 0.448 82 E N -0.591 119.660 120.200 0.085 0.000 2.158 82 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 82 E C 1.637 178.340 176.600 0.173 0.000 0.982 82 E CA 0.864 57.321 56.400 0.095 0.000 0.823 82 E CB -0.500 29.241 29.700 0.068 0.000 0.766 82 E HN 0.634 nan 8.360 nan 0.000 0.468 83 F N 0.944 120.890 119.950 -0.006 0.000 2.069 83 F HA -0.217 4.309 4.527 -0.002 0.000 0.298 83 F C 2.300 178.123 175.800 0.040 0.000 1.113 83 F CA 1.620 59.615 58.000 -0.008 0.000 1.214 83 F CB 0.012 38.982 39.000 -0.050 0.000 0.978 83 F HN 0.156 nan 8.300 nan 0.000 0.474 84 E N 0.543 120.790 120.200 0.078 0.000 2.077 84 E HA -0.290 4.059 4.350 -0.001 0.000 0.193 84 E C 2.412 179.054 176.600 0.069 0.000 0.989 84 E CA 1.118 57.514 56.400 -0.007 0.000 0.800 84 E CB -0.265 29.394 29.700 -0.069 0.000 0.746 84 E HN 0.348 nan 8.360 nan 0.000 0.452 85 R N 0.274 120.814 120.500 0.068 0.000 2.070 85 R HA -0.187 4.152 4.340 -0.001 0.000 0.233 85 R C 2.489 178.836 176.300 0.078 0.000 1.137 85 R CA 1.979 58.106 56.100 0.044 0.000 0.945 85 R CB -0.183 30.139 30.300 0.037 0.000 0.845 85 R HN 0.285 nan 8.270 nan 0.000 0.430 86 Q N -0.871 119.009 119.800 0.134 0.000 2.112 86 Q HA -0.249 4.091 4.340 -0.001 0.000 0.206 86 Q C 1.944 178.082 176.000 0.230 0.000 0.987 86 Q CA 1.931 57.827 55.803 0.155 0.000 0.858 86 Q CB -0.284 28.548 28.738 0.157 0.000 0.905 86 Q HN 0.379 nan 8.270 nan 0.000 0.420 87 Y N 1.121 121.496 120.300 0.125 0.000 2.070 87 Y HA -0.226 4.323 4.550 -0.002 0.000 0.280 87 Y C 1.844 177.833 175.900 0.148 0.000 1.148 87 Y CA 1.453 59.645 58.100 0.154 0.000 1.125 87 Y CB -0.643 37.884 38.460 0.111 0.000 0.975 87 Y HN 0.045 nan 8.280 nan 0.000 0.492 88 L N -0.238 120.942 121.223 -0.073 0.000 2.187 88 L HA -0.197 4.142 4.340 -0.001 0.000 0.213 88 L C 2.475 179.215 176.870 -0.217 0.000 1.100 88 L CA 1.172 55.790 54.840 -0.370 0.000 0.765 88 L CB -0.713 41.151 42.059 -0.325 0.000 0.904 88 L HN 0.328 nan 8.230 nan 0.000 0.437 89 A N -0.902 121.893 122.820 -0.042 0.000 2.178 89 A HA 0.306 4.625 4.320 -0.001 0.000 0.211 89 A C 1.763 179.370 177.584 0.039 0.000 1.157 89 A CA 0.745 52.775 52.037 -0.012 0.000 0.780 89 A CB -0.172 18.835 19.000 0.011 0.000 0.828 89 A HN 0.483 nan 8.150 nan 0.000 0.476 90 G N -0.717 108.146 108.800 0.104 0.000 2.141 90 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.242 90 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.242 90 G C 0.450 175.414 174.900 0.108 0.000 0.982 90 G CA 0.575 45.751 45.100 0.128 0.000 0.662 90 G HN 0.562 nan 8.290 nan 0.000 0.527 91 E N -1.345 118.921 120.200 0.110 0.000 2.400 91 E HA 0.360 4.709 4.350 -0.001 0.000 0.195 91 E C 0.567 177.223 176.600 0.092 0.000 1.012 91 E CA 0.353 56.803 56.400 0.084 0.000 0.875 91 E CB 0.542 30.284 29.700 0.070 0.000 0.859 91 E HN 0.425 nan 8.360 nan 0.000 0.498 92 L N 1.013 122.321 121.223 0.141 0.000 2.431 92 L HA 0.304 4.643 4.340 -0.001 0.000 0.266 92 L C -1.412 175.562 176.870 0.174 0.000 0.978 92 L CA -0.583 54.338 54.840 0.136 0.000 0.822 92 L CB 2.106 44.261 42.059 0.161 0.000 1.310 92 L HN -0.228 nan 8.230 nan 0.000 0.409 93 E N 3.286 123.547 120.200 0.101 0.000 2.249 93 E HA 0.600 4.949 4.350 -0.001 0.000 0.280 93 E C -1.285 175.329 176.600 0.023 0.000 1.016 93 E CA -0.636 55.814 56.400 0.084 0.000 0.830 93 E CB 2.044 31.769 29.700 0.041 0.000 1.081 93 E HN 0.393 nan 8.360 nan 0.000 0.395 94 V N 3.026 122.916 119.914 -0.039 0.000 2.623 94 V HA 0.160 4.279 4.120 -0.001 0.000 0.304 94 V C -0.565 175.449 176.094 -0.134 0.000 1.054 94 V CA -0.807 61.367 62.300 -0.210 0.000 0.882 94 V CB 1.795 33.161 31.823 -0.762 0.000 1.002 94 V HN 0.665 nan 8.190 nan 0.000 0.424 95 E N 4.873 125.026 120.200 -0.079 0.000 2.035 95 E HA 0.422 4.772 4.350 -0.001 0.000 0.271 95 E C -0.910 175.661 176.600 -0.048 0.000 0.953 95 E CA -0.403 55.971 56.400 -0.042 0.000 0.777 95 E CB 1.426 31.109 29.700 -0.028 0.000 1.104 95 E HN 0.534 nan 8.360 nan 0.000 0.408 96 L N 3.277 124.483 121.223 -0.029 0.000 2.361 96 L HA 0.199 4.538 4.340 -0.001 0.000 0.278 96 L C 0.091 176.932 176.870 -0.049 0.000 1.113 96 L CA 0.242 55.069 54.840 -0.021 0.000 0.849 96 L CB 0.485 42.583 42.059 0.065 0.000 1.155 96 L HN 0.395 nan 8.230 nan 0.000 0.452 97 T N 4.079 118.595 114.554 -0.063 0.000 2.841 97 T HA 0.356 4.705 4.350 -0.001 0.000 0.285 97 T C -2.516 172.127 174.700 -0.095 0.000 0.991 97 T CA -1.491 60.567 62.100 -0.071 0.000 0.966 97 T CB 1.999 70.842 68.868 -0.043 0.000 0.962 97 T HN 0.224 nan 8.240 nan 0.000 0.438 98 P HA 0.074 nan 4.420 nan 0.000 0.266 98 P C 0.794 178.001 177.300 -0.155 0.000 1.195 98 P CA 0.043 63.051 63.100 -0.153 0.000 0.768 98 P CB 0.665 32.278 31.700 -0.144 0.000 0.838 99 Q N 2.579 122.258 119.800 -0.202 0.000 2.084 99 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 99 Q C 2.074 177.737 176.000 -0.561 0.000 0.978 99 Q CA 2.215 57.884 55.803 -0.223 0.000 0.844 99 Q CB -0.758 27.921 28.738 -0.098 0.000 0.898 99 Q HN 0.695 nan 8.270 nan 0.000 0.426 100 G N -0.762 107.338 108.800 -1.167 0.000 2.408 100 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 100 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 100 G C 1.329 176.093 174.900 -0.227 0.000 1.150 100 G CA 1.167 45.692 45.100 -0.959 0.000 0.776 100 G HN 0.345 nan 8.290 nan 0.000 0.542 101 T N 1.121 115.609 114.554 -0.109 0.000 2.746 101 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 101 T C 2.239 176.998 174.700 0.097 0.000 1.039 101 T CA 1.117 63.260 62.100 0.071 0.000 1.142 101 T CB -0.217 68.680 68.868 0.047 0.000 0.866 101 T HN 0.128 nan 8.240 nan 0.000 0.444 102 L N 1.507 122.760 121.223 0.050 0.000 2.012 102 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 102 L C 2.606 179.610 176.870 0.223 0.000 1.073 102 L CA 2.052 56.965 54.840 0.122 0.000 0.748 102 L CB -1.061 41.057 42.059 0.099 0.000 0.891 102 L HN 0.232 nan 8.230 nan 0.000 0.431 103 A N -1.119 121.843 122.820 0.236 0.000 1.898 103 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 103 A C 2.267 179.860 177.584 0.015 0.000 1.181 103 A CA 1.684 53.793 52.037 0.121 0.000 0.620 103 A CB -0.649 18.260 19.000 -0.153 0.000 0.819 103 A HN 0.521 nan 8.150 nan 0.000 0.442 104 E N -0.036 120.155 120.200 -0.015 0.000 2.152 104 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 104 E C 2.138 178.686 176.600 -0.087 0.000 0.983 104 E CA 1.023 57.322 56.400 -0.168 0.000 0.818 104 E CB -0.186 29.306 29.700 -0.347 0.000 0.758 104 E HN 0.580 nan 8.360 nan 0.000 0.467 105 R N -0.190 120.414 120.500 0.174 0.000 2.081 105 R HA -0.035 4.304 4.340 -0.001 0.000 0.235 105 R C 2.393 178.766 176.300 0.122 0.000 1.131 105 R CA 1.507 57.759 56.100 0.254 0.000 0.960 105 R CB -0.354 30.073 30.300 0.211 0.000 0.856 105 R HN 0.266 nan 8.270 nan 0.000 0.436 106 I N 0.261 120.886 120.570 0.092 0.000 2.179 106 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 106 I C 2.771 178.897 176.117 0.014 0.000 1.088 106 I CA 1.206 62.545 61.300 0.065 0.000 1.357 106 I CB -0.309 37.755 38.000 0.106 0.000 1.051 106 I HN 0.147 nan 8.210 nan 0.000 0.409 107 R N 1.328 121.811 120.500 -0.028 0.000 2.096 107 R HA -0.235 4.104 4.340 -0.001 0.000 0.240 107 R C 2.353 178.618 176.300 -0.060 0.000 1.139 107 R CA 1.890 57.945 56.100 -0.076 0.000 0.952 107 R CB -0.330 29.894 30.300 -0.126 0.000 0.854 107 R HN 0.380 nan 8.270 nan 0.000 0.436 108 A N 0.151 122.941 122.820 -0.049 0.000 1.940 108 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 108 A C 2.342 179.945 177.584 0.032 0.000 1.176 108 A CA 1.705 53.742 52.037 0.000 0.000 0.631 108 A CB -1.151 17.905 19.000 0.093 0.000 0.814 108 A HN 0.608 nan 8.150 nan 0.000 0.446 109 G N -1.000 107.824 108.800 0.039 0.000 2.470 109 G HA2 0.100 4.059 3.960 -0.001 0.000 0.220 109 G HA3 0.100 4.059 3.960 -0.001 0.000 0.220 109 G C 1.277 176.195 174.900 0.030 0.000 1.121 109 G CA 1.141 46.264 45.100 0.038 0.000 0.766 109 G HN 0.731 nan 8.290 nan 0.000 0.553 110 G N -0.299 108.508 108.800 0.012 0.000 2.838 110 G HA2 0.351 4.310 3.960 -0.001 0.000 0.210 110 G HA3 0.351 4.310 3.960 -0.001 0.000 0.210 110 G C 1.225 176.150 174.900 0.042 0.000 1.153 110 G CA 0.978 46.089 45.100 0.018 0.000 0.778 110 G HN 0.562 nan 8.290 nan 0.000 0.539 111 A N -0.443 122.391 122.820 0.024 0.000 2.503 111 A HA 0.539 4.859 4.320 -0.001 0.000 0.263 111 A C 1.681 179.283 177.584 0.030 0.000 1.258 111 A CA 0.921 52.974 52.037 0.027 0.000 0.936 111 A CB -0.176 18.820 19.000 -0.006 0.000 1.070 111 A HN 1.372 nan 8.150 nan 0.000 0.522 112 G N -0.887 107.935 108.800 0.036 0.000 2.160 112 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.251 112 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.251 112 G C 0.018 174.938 174.900 0.034 0.000 1.008 112 G CA 0.319 45.440 45.100 0.035 0.000 0.724 112 G HN 0.898 nan 8.290 nan 0.000 0.514 113 V N 1.614 121.551 119.914 0.039 0.000 2.334 113 V HA 0.390 4.509 4.120 -0.001 0.000 0.281 113 V C -0.316 175.822 176.094 0.073 0.000 1.016 113 V CA -0.706 61.626 62.300 0.054 0.000 0.832 113 V CB 1.790 33.644 31.823 0.051 0.000 0.999 113 V HN 0.163 nan 8.190 nan 0.000 0.439 114 P HA 0.192 nan 4.420 nan 0.000 0.231 114 P C 0.173 177.497 177.300 0.040 0.000 1.168 114 P CA 0.664 63.791 63.100 0.045 0.000 0.779 114 P CB 0.854 32.569 31.700 0.025 0.000 0.844 115 A N -0.614 122.240 122.820 0.057 0.000 2.599 115 A HA 0.625 4.944 4.320 -0.001 0.000 0.294 115 A C -1.533 176.072 177.584 0.036 0.000 1.055 115 A CA -0.674 51.342 52.037 -0.035 0.000 0.683 115 A CB 0.413 19.324 19.000 -0.148 0.000 1.278 115 A HN 0.098 nan 8.150 nan 0.000 0.412 116 F N -1.400 118.455 119.950 -0.158 0.000 2.711 116 F HA 0.853 5.379 4.527 -0.001 0.000 0.313 116 F C -1.683 173.978 175.800 -0.233 0.000 1.141 116 F CA -1.340 56.578 58.000 -0.136 0.000 0.941 116 F CB 0.846 39.810 39.000 -0.060 0.000 1.349 116 F HN 0.511 nan 8.300 nan 0.000 0.464 117 Y N 0.174 120.510 120.300 0.059 0.000 2.387 117 Y HA 0.648 5.197 4.550 -0.001 0.000 0.336 117 Y C 0.285 176.304 175.900 0.199 0.000 1.067 117 Y CA -0.556 57.566 58.100 0.038 0.000 1.114 117 Y CB 2.175 40.631 38.460 -0.006 0.000 1.208 117 Y HN 0.890 nan 8.280 nan 0.000 0.458 118 T N -0.007 114.802 114.554 0.425 0.000 2.923 118 T HA 0.169 4.518 4.350 -0.001 0.000 0.311 118 T C 0.546 175.552 174.700 0.511 0.000 1.183 118 T CA -0.344 62.037 62.100 0.468 0.000 1.020 118 T CB 1.555 70.657 68.868 0.390 0.000 1.165 118 T HN 0.634 nan 8.240 nan 0.000 0.482 119 S N 2.058 118.048 115.700 0.485 0.000 2.428 119 S HA 0.044 4.514 4.470 -0.001 0.000 0.230 119 S C 0.920 175.621 174.600 0.168 0.000 1.014 119 S CA 1.038 59.341 58.200 0.171 0.000 0.957 119 S CB -0.406 62.836 63.200 0.070 0.000 0.784 119 S HN 0.845 nan 8.310 nan 0.000 0.499 120 T N 1.868 116.529 114.554 0.178 0.000 2.831 120 T HA 0.423 4.772 4.350 -0.001 0.000 0.291 120 T C 1.207 175.964 174.700 0.095 0.000 0.981 120 T CA 0.781 62.951 62.100 0.117 0.000 1.174 120 T CB 0.336 69.263 68.868 0.099 0.000 0.929 120 T HN 0.736 nan 8.240 nan 0.000 0.532 121 G N 2.846 111.682 108.800 0.060 0.000 2.217 121 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.246 121 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.246 121 G C 0.073 175.012 174.900 0.065 0.000 0.990 121 G CA -0.029 45.087 45.100 0.027 0.000 0.627 121 G HN 0.841 nan 8.290 nan 0.000 0.522 122 Y N 1.549 121.858 120.300 0.015 0.000 2.717 122 Y HA 0.328 4.877 4.550 -0.001 0.000 0.330 122 Y C 1.519 177.424 175.900 0.008 0.000 1.217 122 Y CA 1.362 59.468 58.100 0.010 0.000 1.506 122 Y CB 0.563 39.013 38.460 -0.016 0.000 1.268 122 Y HN 1.526 nan 8.280 nan 0.000 0.561 123 G N 3.329 111.642 108.800 -0.812 0.000 2.148 123 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.254 123 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.254 123 G C 0.126 174.897 174.900 -0.216 0.000 0.981 123 G CA 0.608 45.341 45.100 -0.612 0.000 0.670 123 G HN 1.242 nan 8.290 nan 0.000 0.528 124 T N -3.194 111.291 114.554 -0.115 0.000 2.883 124 T HA 0.697 5.047 4.350 -0.001 0.000 0.284 124 T C 1.512 176.237 174.700 0.041 0.000 1.041 124 T CA -0.222 61.889 62.100 0.018 0.000 1.007 124 T CB 1.350 70.253 68.868 0.059 0.000 1.220 124 T HN 0.238 nan 8.240 nan 0.000 0.552 125 L N 0.816 122.122 121.223 0.139 0.000 2.261 125 L HA -0.089 4.251 4.340 -0.001 0.000 0.216 125 L C 2.739 179.656 176.870 0.080 0.000 1.114 125 L CA 0.748 55.667 54.840 0.132 0.000 0.777 125 L CB -0.701 41.506 42.059 0.246 0.000 0.910 125 L HN 0.571 nan 8.230 nan 0.000 0.440 126 V N -0.485 119.456 119.914 0.044 0.000 2.295 126 V HA -0.337 3.783 4.120 -0.001 0.000 0.246 126 V C 2.453 178.552 176.094 0.007 0.000 1.049 126 V CA 2.035 64.337 62.300 0.002 0.000 1.024 126 V CB -0.530 31.266 31.823 -0.045 0.000 0.648 126 V HN 0.548 nan 8.190 nan 0.000 0.447 127 Q N -0.076 119.727 119.800 0.005 0.000 2.046 127 Q HA -0.228 4.111 4.340 -0.001 0.000 0.200 127 Q C 2.231 178.232 176.000 0.002 0.000 0.975 127 Q CA 1.894 57.702 55.803 0.009 0.000 0.836 127 Q CB -0.038 28.690 28.738 -0.017 0.000 0.896 127 Q HN 0.732 nan 8.270 nan 0.000 0.428 128 E N -0.419 119.778 120.200 -0.005 0.000 2.208 128 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 128 E C 0.718 177.323 176.600 0.007 0.000 0.988 128 E CA 0.346 56.743 56.400 -0.005 0.000 0.828 128 E CB 0.032 29.728 29.700 -0.006 0.000 0.763 128 E HN 0.513 nan 8.360 nan 0.000 0.478 129 G N -0.672 108.137 108.800 0.016 0.000 2.829 129 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.628 129 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.628 129 G C 0.616 175.528 174.900 0.020 0.000 1.412 129 G CA -0.431 44.679 45.100 0.016 0.000 0.864 129 G HN 0.702 nan 8.290 nan 0.000 0.544 130 G N -1.725 107.084 108.800 0.015 0.000 2.157 130 G HA2 0.061 4.021 3.960 -0.001 0.000 0.248 130 G HA3 0.061 4.021 3.960 -0.001 0.000 0.248 130 G C 0.844 175.760 174.900 0.026 0.000 0.979 130 G CA 1.498 46.605 45.100 0.011 0.000 0.650 130 G HN 2.303 nan 8.290 nan 0.000 0.529 131 S N 1.706 117.440 115.700 0.056 0.000 2.516 131 S HA 0.496 4.965 4.470 -0.001 0.000 0.282 131 S C -1.918 172.703 174.600 0.035 0.000 1.286 131 S CA -0.693 57.567 58.200 0.099 0.000 1.066 131 S CB 0.718 64.005 63.200 0.144 0.000 0.884 131 S HN 0.193 nan 8.310 nan 0.000 0.491 132 P HA 0.181 nan 4.420 nan 0.000 0.267 132 P C 0.171 177.444 177.300 -0.044 0.000 1.209 132 P CA 0.078 63.059 63.100 -0.199 0.000 0.763 132 P CB 0.406 31.726 31.700 -0.633 0.000 0.816 133 I N 1.982 122.521 120.570 -0.051 0.000 3.172 133 I HA 0.103 4.273 4.170 -0.001 0.000 0.278 133 I C 1.059 177.223 176.117 0.078 0.000 1.174 133 I CA 0.686 62.010 61.300 0.041 0.000 1.445 133 I CB 0.222 38.228 38.000 0.011 0.000 1.175 133 I HN 0.241 nan 8.210 nan 0.000 0.447 134 K N 0.593 120.980 120.400 -0.021 0.000 2.578 134 K HA 0.354 4.673 4.320 -0.001 0.000 0.250 134 K C -1.328 175.238 176.600 -0.058 0.000 0.955 134 K CA -0.510 55.795 56.287 0.030 0.000 0.825 134 K CB 1.416 33.946 32.500 0.049 0.000 1.151 134 K HN -0.173 nan 8.250 nan 0.000 0.432 142 A N 7.459 130.267 122.820 -0.020 0.000 1.973 142 A HA 0.532 4.852 4.320 -0.001 0.000 0.210 142 A C 0.604 178.181 177.584 -0.012 0.000 1.200 142 A CA 0.721 52.757 52.037 -0.003 0.000 0.707 142 A CB 0.237 19.248 19.000 0.018 0.000 0.862 142 A HN 0.524 nan 8.150 nan 0.000 0.461 143 I N -0.252 120.301 120.570 -0.029 0.000 2.499 143 I HA 0.563 4.732 4.170 -0.001 0.000 0.288 143 I C -0.344 175.747 176.117 -0.043 0.000 1.048 143 I CA -0.672 60.614 61.300 -0.023 0.000 1.062 143 I CB 2.113 40.108 38.000 -0.008 0.000 1.238 143 I HN 0.149 nan 8.210 nan 0.000 0.426 144 A N 4.034 126.835 122.820 -0.031 0.000 2.340 144 A HA 0.737 5.056 4.320 -0.001 0.000 0.331 144 A C 0.099 177.675 177.584 -0.014 0.000 1.140 144 A CA -0.552 51.466 52.037 -0.032 0.000 0.801 144 A CB 1.327 20.312 19.000 -0.025 0.000 1.234 144 A HN 0.776 nan 8.150 nan 0.000 0.469 145 S N 1.806 117.503 115.700 -0.006 0.000 2.573 145 S HA 0.270 4.739 4.470 -0.001 0.000 0.277 145 S C -0.071 174.530 174.600 0.001 0.000 1.346 145 S CA -0.069 58.133 58.200 0.003 0.000 1.034 145 S CB 0.229 63.439 63.200 0.015 0.000 0.879 145 S HN 0.609 nan 8.310 nan 0.000 0.528 146 K N 2.146 122.546 120.400 -0.001 0.000 2.144 146 K HA 0.419 4.739 4.320 -0.001 0.000 0.270 146 K C -2.460 174.140 176.600 -0.000 0.000 1.005 146 K CA -1.962 54.324 56.287 -0.002 0.000 0.932 146 K CB 0.334 32.831 32.500 -0.005 0.000 1.021 146 K HN 0.467 nan 8.250 nan 0.000 0.462 147 P HA 0.100 nan 4.420 nan 0.000 0.272 147 P C -0.830 176.472 177.300 0.003 0.000 1.240 147 P CA -0.241 62.862 63.100 0.005 0.000 0.791 147 P CB 0.608 32.313 31.700 0.008 0.000 0.978 148 R N 1.264 121.770 120.500 0.009 0.000 2.532 148 R HA 0.325 4.664 4.340 -0.001 0.000 0.295 148 R C 0.126 176.451 176.300 0.041 0.000 0.968 148 R CA -0.705 55.399 56.100 0.007 0.000 0.916 148 R CB 0.765 31.065 30.300 0.001 0.000 1.124 148 R HN 0.545 nan 8.270 nan 0.000 0.463 149 E N 0.864 121.090 120.200 0.042 0.000 2.392 149 E HA 0.072 4.422 4.350 -0.001 0.000 0.264 149 E C -0.355 176.354 176.600 0.182 0.000 1.024 149 E CA -0.031 56.425 56.400 0.094 0.000 0.903 149 E CB 1.323 31.078 29.700 0.092 0.000 0.963 149 E HN 0.100 nan 8.360 nan 0.000 0.432 150 V N 3.521 123.554 119.914 0.197 0.000 2.630 150 V HA 0.571 4.690 4.120 -0.001 0.000 0.305 150 V C -0.609 175.638 176.094 0.254 0.000 1.046 150 V CA -0.392 62.066 62.300 0.264 0.000 0.934 150 V CB 1.552 33.509 31.823 0.224 0.000 1.003 150 V HN 0.690 nan 8.190 nan 0.000 0.451 151 R N 3.653 124.320 120.500 0.280 0.000 2.604 151 R HA 0.386 4.725 4.340 -0.001 0.000 0.270 151 R C -1.408 174.905 176.300 0.021 0.000 1.052 151 R CA -0.592 55.537 56.100 0.049 0.000 0.902 151 R CB 1.656 31.831 30.300 -0.207 0.000 1.233 151 R HN 0.807 nan 8.270 nan 0.000 0.455 152 E N 4.464 124.535 120.200 -0.214 0.000 2.197 152 E HA 0.249 4.598 4.350 -0.001 0.000 0.281 152 E C -1.504 174.750 176.600 -0.576 0.000 0.995 152 E CA -0.181 55.987 56.400 -0.387 0.000 0.808 152 E CB 0.799 30.172 29.700 -0.545 0.000 1.093 152 E HN 0.395 nan 8.360 nan 0.000 0.394 153 F N 3.099 123.024 119.950 -0.041 0.000 2.539 153 F HA 0.273 4.799 4.527 -0.001 0.000 0.318 153 F C 0.522 176.304 175.800 -0.031 0.000 1.135 153 F CA -0.907 57.025 58.000 -0.112 0.000 0.915 153 F CB 1.425 40.242 39.000 -0.306 0.000 1.176 153 F HN 0.501 nan 8.300 nan 0.000 0.440 154 N N 2.017 120.768 118.700 0.086 0.000 2.735 154 N HA -0.208 4.532 4.740 -0.001 0.000 0.248 154 N C 0.975 176.497 175.510 0.020 0.000 1.083 154 N CA 1.159 54.239 53.050 0.050 0.000 0.703 154 N CB -1.222 37.305 38.487 0.067 0.000 1.005 154 N HN 1.214 nan 8.380 nan 0.000 0.550 155 G N -0.628 108.141 108.800 -0.051 0.000 2.148 155 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.254 155 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.254 155 G C -0.211 174.599 174.900 -0.149 0.000 0.981 155 G CA 0.951 45.991 45.100 -0.100 0.000 0.670 155 G HN 0.775 nan 8.290 nan 0.000 0.528 156 Q N -0.676 119.046 119.800 -0.129 0.000 2.413 156 Q HA 0.674 5.014 4.340 -0.001 0.000 0.276 156 Q C -0.932 174.778 176.000 -0.483 0.000 1.099 156 Q CA -0.903 54.754 55.803 -0.244 0.000 0.814 156 Q CB 1.420 30.106 28.738 -0.086 0.000 1.379 156 Q HN 0.523 nan 8.270 nan 0.000 0.436 157 H N 0.935 119.551 119.070 -0.757 0.000 2.492 157 H HA 0.567 5.122 4.556 -0.001 0.000 0.345 157 H C -1.336 173.347 175.328 -1.076 0.000 1.136 157 H CA -0.140 55.440 56.048 -0.780 0.000 1.202 157 H CB 1.029 30.215 29.762 -0.960 0.000 1.524 157 H HN 0.386 nan 8.280 nan 0.000 0.506 158 F N 1.785 121.749 119.950 0.023 0.000 2.613 158 F HA 0.399 4.926 4.527 -0.001 0.000 0.310 158 F C -0.358 175.653 175.800 0.352 0.000 1.085 158 F CA -1.164 56.951 58.000 0.192 0.000 0.945 158 F CB 1.378 40.538 39.000 0.267 0.000 1.298 158 F HN 0.348 nan 8.300 nan 0.000 0.455 159 I N 0.629 121.500 120.570 0.503 0.000 2.562 159 I HA 0.698 4.867 4.170 -0.001 0.000 0.301 159 I C -1.284 174.926 176.117 0.155 0.000 1.003 159 I CA -1.172 60.334 61.300 0.342 0.000 1.127 159 I CB 1.884 40.009 38.000 0.209 0.000 1.304 159 I HN 0.464 nan 8.210 nan 0.000 0.446 160 L N 4.630 125.808 121.223 -0.075 0.000 2.290 160 L HA 0.457 4.796 4.340 -0.001 0.000 0.284 160 L C -0.363 176.264 176.870 -0.406 0.000 1.078 160 L CA 0.578 55.110 54.840 -0.513 0.000 0.815 160 L CB 0.391 42.153 42.059 -0.495 0.000 1.162 160 L HN 0.601 nan 8.230 nan 0.000 0.435 161 E N 4.406 124.218 120.200 -0.647 0.000 2.238 161 E HA 0.385 4.734 4.350 -0.001 0.000 0.267 161 E C -1.029 175.246 176.600 -0.542 0.000 0.887 161 E CA -0.578 55.475 56.400 -0.578 0.000 0.769 161 E CB 1.901 31.200 29.700 -0.668 0.000 1.187 161 E HN 0.592 nan 8.360 nan 0.000 0.416 162 E N 0.642 120.694 120.200 -0.246 0.000 2.222 162 E HA 0.525 4.875 4.350 -0.001 0.000 0.272 162 E C -0.427 176.178 176.600 0.009 0.000 0.982 162 E CA -0.848 55.485 56.400 -0.111 0.000 0.842 162 E CB 1.695 31.350 29.700 -0.075 0.000 1.144 162 E HN 0.530 nan 8.360 nan 0.000 0.397 163 A N 2.688 125.545 122.820 0.062 0.000 2.520 163 A HA 0.131 4.451 4.320 -0.001 0.000 0.235 163 A C -0.074 177.546 177.584 0.061 0.000 1.065 163 A CA 0.338 52.433 52.037 0.096 0.000 0.764 163 A CB -0.026 19.021 19.000 0.078 0.000 1.002 163 A HN 0.536 nan 8.150 nan 0.000 0.502 164 I N 1.905 122.516 120.570 0.068 0.000 2.378 164 I HA 0.412 4.582 4.170 -0.001 0.000 0.291 164 I C 0.410 176.552 176.117 0.043 0.000 0.992 164 I CA -0.172 61.157 61.300 0.047 0.000 1.154 164 I CB 1.504 39.534 38.000 0.050 0.000 1.315 164 I HN 0.719 nan 8.210 nan 0.000 0.448 165 R N 3.396 123.916 120.500 0.034 0.000 2.807 165 R HA 0.712 5.051 4.340 -0.001 0.000 0.276 165 R C -0.346 175.972 176.300 0.031 0.000 0.979 165 R CA -0.876 55.243 56.100 0.031 0.000 0.928 165 R CB 2.334 32.650 30.300 0.027 0.000 1.191 165 R HN 0.746 nan 8.270 nan 0.000 0.471 166 G N -0.380 108.440 108.800 0.034 0.000 2.489 166 G HA2 0.156 4.115 3.960 -0.001 0.000 0.327 166 G HA3 0.156 4.115 3.960 -0.001 0.000 0.327 166 G C -0.116 174.801 174.900 0.028 0.000 1.189 166 G CA -0.487 44.640 45.100 0.045 0.000 0.962 166 G HN 0.543 nan 8.290 nan 0.000 0.486 167 D N -0.573 119.864 120.400 0.062 0.000 2.149 167 D HA 0.007 4.647 4.640 -0.001 0.000 0.201 167 D C -0.109 176.083 176.300 -0.181 0.000 0.972 167 D CA 1.407 55.412 54.000 0.008 0.000 0.835 167 D CB 0.155 41.063 40.800 0.180 0.000 0.966 167 D HN 0.179 nan 8.370 nan 0.000 0.476 168 F N -0.655 119.309 119.950 0.024 0.000 2.599 168 F HA 0.546 5.072 4.527 -0.001 0.000 0.311 168 F C -0.349 175.463 175.800 0.020 0.000 1.076 168 F CA -1.217 56.799 58.000 0.027 0.000 0.937 168 F CB 1.917 40.921 39.000 0.007 0.000 1.282 168 F HN -0.300 nan 8.300 nan 0.000 0.460 169 A N 2.604 125.546 122.820 0.204 0.000 2.355 169 A HA 0.866 5.185 4.320 -0.001 0.000 0.317 169 A C -1.535 176.124 177.584 0.124 0.000 1.094 169 A CA -0.626 51.487 52.037 0.126 0.000 0.764 169 A CB 0.944 19.988 19.000 0.073 0.000 1.230 169 A HN 0.738 nan 8.150 nan 0.000 0.448 170 L N 3.171 124.444 121.223 0.083 0.000 2.295 170 L HA 0.526 4.865 4.340 -0.001 0.000 0.281 170 L C -0.901 176.010 176.870 0.069 0.000 1.018 170 L CA -0.684 54.192 54.840 0.059 0.000 0.841 170 L CB 1.289 43.358 42.059 0.018 0.000 1.218 170 L HN 0.411 nan 8.230 nan 0.000 0.424 171 V N 2.671 122.639 119.914 0.089 0.000 2.555 171 V HA 0.440 4.559 4.120 -0.001 0.000 0.302 171 V C -0.137 176.052 176.094 0.158 0.000 1.038 171 V CA -0.821 61.560 62.300 0.134 0.000 0.887 171 V CB 2.323 34.236 31.823 0.150 0.000 0.991 171 V HN 0.564 nan 8.190 nan 0.000 0.434 172 K N 3.495 124.018 120.400 0.206 0.000 2.185 172 K HA 0.849 5.169 4.320 -0.001 0.000 0.269 172 K C -0.550 176.222 176.600 0.286 0.000 0.987 172 K CA 0.034 56.452 56.287 0.218 0.000 0.865 172 K CB 1.472 34.097 32.500 0.209 0.000 1.090 172 K HN 0.913 nan 8.250 nan 0.000 0.450 173 A N 3.237 126.149 122.820 0.154 0.000 2.530 173 A HA 0.509 4.829 4.320 -0.001 0.000 0.288 173 A C -0.599 177.016 177.584 0.052 0.000 1.172 173 A CA -0.778 51.253 52.037 -0.010 0.000 0.733 173 A CB 0.228 18.995 19.000 -0.389 0.000 1.320 173 A HN 0.916 nan 8.150 nan 0.000 0.419 174 W N 0.733 121.912 121.300 -0.203 0.000 2.519 174 W HA 0.305 4.964 4.660 -0.001 0.000 0.313 174 W C 0.052 176.506 176.519 -0.108 0.000 1.156 174 W CA 1.145 58.403 57.345 -0.144 0.000 1.394 174 W CB -0.017 29.381 29.460 -0.103 0.000 1.154 174 W HN 0.535 nan 8.180 nan 0.000 0.498 175 K N -0.310 119.996 120.400 -0.157 0.000 2.375 175 K HA 0.638 4.957 4.320 -0.001 0.000 0.249 175 K C -1.130 175.466 176.600 -0.007 0.000 0.942 175 K CA -0.742 55.429 56.287 -0.194 0.000 0.806 175 K CB 2.223 34.539 32.500 -0.307 0.000 1.227 175 K HN -0.129 nan 8.250 nan 0.000 0.430 176 A N 1.670 124.528 122.820 0.063 0.000 2.374 176 A HA 0.464 4.784 4.320 -0.001 0.000 0.317 176 A C -1.072 176.584 177.584 0.121 0.000 1.094 176 A CA -0.787 51.341 52.037 0.152 0.000 0.765 176 A CB 0.889 19.954 19.000 0.108 0.000 1.268 176 A HN 0.827 nan 8.150 nan 0.000 0.438 177 D N 0.538 121.019 120.400 0.136 0.000 2.411 177 D HA 0.128 4.767 4.640 -0.001 0.000 0.251 177 D C 0.589 176.949 176.300 0.100 0.000 1.201 177 D CA -0.283 53.669 54.000 -0.080 0.000 0.996 177 D CB 0.402 41.037 40.800 -0.275 0.000 1.101 177 D HN 0.489 nan 8.370 nan 0.000 0.504 178 Q N -0.600 119.194 119.800 -0.010 0.000 2.500 178 Q HA 0.002 4.341 4.340 -0.001 0.000 0.213 178 Q C 1.275 177.331 176.000 0.095 0.000 0.974 178 Q CA 0.960 56.737 55.803 -0.042 0.000 0.918 178 Q CB -0.043 28.586 28.738 -0.180 0.000 0.980 178 Q HN 0.627 nan 8.270 nan 0.000 0.505 179 A N -0.246 122.666 122.820 0.154 0.000 2.195 179 A HA 0.345 4.665 4.320 -0.001 0.000 0.210 179 A C 1.527 179.258 177.584 0.246 0.000 1.165 179 A CA 0.798 52.942 52.037 0.178 0.000 0.806 179 A CB 0.215 19.272 19.000 0.095 0.000 0.847 179 A HN 0.410 nan 8.150 nan 0.000 0.482 180 G N -0.627 108.343 108.800 0.284 0.000 2.179 180 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.220 180 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.220 180 G C -0.115 174.841 174.900 0.093 0.000 0.990 180 G CA -0.035 45.136 45.100 0.117 0.000 0.646 180 G HN 0.437 nan 8.290 nan 0.000 0.517 181 N N 0.364 119.154 118.700 0.150 0.000 2.479 181 N HA 0.468 5.208 4.740 -0.001 0.000 0.257 181 N C 0.382 175.970 175.510 0.131 0.000 1.232 181 N CA 0.918 54.054 53.050 0.144 0.000 0.920 181 N CB 2.095 40.714 38.487 0.220 0.000 1.105 181 N HN 1.064 nan 8.380 nan 0.000 0.444 182 V N -1.629 118.243 119.914 -0.071 0.000 2.925 182 V HA 0.838 4.958 4.120 -0.001 0.000 0.311 182 V C -0.100 175.662 176.094 -0.553 0.000 1.104 182 V CA -0.789 61.360 62.300 -0.253 0.000 0.954 182 V CB 1.720 33.396 31.823 -0.245 0.000 1.022 182 V HN 0.799 nan 8.190 nan 0.000 0.427 183 T N 0.570 114.704 114.554 -0.699 0.000 2.901 183 T HA 0.837 5.186 4.350 -0.001 0.000 0.293 183 T C -1.010 173.409 174.700 -0.469 0.000 1.084 183 T CA -0.527 61.147 62.100 -0.710 0.000 1.008 183 T CB 1.829 70.165 68.868 -0.885 0.000 1.170 183 T HN 0.648 nan 8.240 nan 0.000 0.509 184 F N -0.001 120.203 119.950 0.424 0.000 2.538 184 F HA 0.678 5.204 4.527 -0.001 0.000 0.325 184 F C 0.615 176.541 175.800 0.210 0.000 1.066 184 F CA -1.225 56.944 58.000 0.282 0.000 0.946 184 F CB 2.137 41.223 39.000 0.144 0.000 1.199 184 F HN 0.504 nan 8.300 nan 0.000 0.473 185 R N 2.842 123.410 120.500 0.114 0.000 2.294 185 R HA 0.396 4.736 4.340 -0.001 0.000 0.319 185 R C -0.077 175.963 176.300 -0.434 0.000 0.984 185 R CA -0.265 55.636 56.100 -0.332 0.000 0.861 185 R CB 0.648 30.393 30.300 -0.925 0.000 1.104 185 R HN 0.808 nan 8.270 nan 0.000 0.451 186 K N 0.612 120.602 120.400 -0.684 0.000 1.931 186 K HA -0.297 4.022 4.320 -0.001 0.000 0.126 186 K C 0.651 176.616 176.600 -1.058 0.000 1.372 186 K CA 1.808 57.250 56.287 -1.408 0.000 0.483 186 K CB -1.391 30.548 32.500 -0.937 0.000 0.562 186 K HN 0.748 nan 8.250 nan 0.000 0.923 187 S N 0.365 115.671 115.700 -0.656 0.000 2.631 187 S HA 0.270 4.740 4.470 -0.001 0.000 0.217 187 S C 1.450 175.940 174.600 -0.184 0.000 0.958 187 S CA 0.481 58.498 58.200 -0.306 0.000 0.920 187 S CB 0.509 63.614 63.200 -0.157 0.000 0.776 187 S HN 0.604 nan 8.310 nan 0.000 0.517 188 A N 1.730 124.450 122.820 -0.167 0.000 2.209 188 A HA 0.135 4.454 4.320 -0.001 0.000 0.212 188 A C 2.143 179.720 177.584 -0.012 0.000 1.158 188 A CA 0.605 52.621 52.037 -0.035 0.000 0.742 188 A CB -0.566 18.425 19.000 -0.015 0.000 0.790 188 A HN 0.592 nan 8.150 nan 0.000 0.472 189 R N 0.786 121.211 120.500 -0.124 0.000 2.075 189 R HA -0.230 4.109 4.340 -0.001 0.000 0.230 189 R C 1.671 177.766 176.300 -0.341 0.000 1.140 189 R CA 2.042 57.924 56.100 -0.364 0.000 0.928 189 R CB -0.501 29.573 30.300 -0.376 0.000 0.834 189 R HN 0.718 nan 8.270 nan 0.000 0.429 190 N N -1.166 117.383 118.700 -0.252 0.000 1.154 190 N HA -0.356 4.383 4.740 -0.001 0.000 0.135 190 N C 0.886 176.260 175.510 -0.227 0.000 0.562 190 N CA 2.541 55.480 53.050 -0.184 0.000 0.947 190 N CB -1.561 36.955 38.487 0.049 0.000 1.354 190 N HN 0.247 nan 8.380 nan 0.000 0.505 191 F N 0.210 120.131 119.950 -0.048 0.000 2.710 191 F HA 0.254 4.780 4.527 -0.001 0.000 0.298 191 F C 2.144 177.886 175.800 -0.097 0.000 1.137 191 F CA 0.131 58.106 58.000 -0.042 0.000 1.444 191 F CB -0.279 38.736 39.000 0.025 0.000 1.111 191 F HN 0.275 nan 8.300 nan 0.000 0.580 192 N N 0.634 119.327 118.700 -0.011 0.000 2.120 192 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 192 N C 2.116 177.527 175.510 -0.164 0.000 1.024 192 N CA 1.140 54.163 53.050 -0.045 0.000 0.852 192 N CB -0.492 37.987 38.487 -0.012 0.000 1.003 192 N HN 0.343 nan 8.380 nan 0.000 0.424 193 L N 1.963 122.913 121.223 -0.456 0.000 1.976 193 L HA -0.075 4.265 4.340 -0.001 0.000 0.209 193 L C -0.764 175.992 176.870 -0.190 0.000 1.071 193 L CA 1.624 56.245 54.840 -0.366 0.000 0.746 193 L CB -1.179 40.589 42.059 -0.484 0.000 0.890 193 L HN 0.109 nan 8.230 nan 0.000 0.432 194 P HA -0.175 nan 4.420 nan 0.000 0.219 194 P C 1.803 179.053 177.300 -0.083 0.000 1.150 194 P CA 1.664 64.681 63.100 -0.137 0.000 0.814 194 P CB -0.125 31.507 31.700 -0.113 0.000 0.787 195 M N -0.976 118.614 119.600 -0.015 0.000 2.267 195 M HA -0.142 4.337 4.480 -0.001 0.000 0.263 195 M C 2.265 178.556 176.300 -0.016 0.000 1.063 195 M CA 1.268 56.579 55.300 0.019 0.000 1.090 195 M CB -0.960 31.682 32.600 0.070 0.000 1.392 195 M HN 0.022 nan 8.290 nan 0.000 0.422 196 C N 0.772 120.045 119.300 -0.044 0.000 2.491 196 C HA -0.046 4.413 4.460 -0.001 0.000 0.277 196 C C 2.032 176.930 174.990 -0.153 0.000 1.455 196 C CA 0.879 59.864 59.018 -0.056 0.000 1.758 196 C CB -1.006 26.738 27.740 0.008 0.000 1.745 196 C HN 0.419 nan 8.230 nan 0.000 0.558 197 K N -0.297 119.965 120.400 -0.230 0.000 2.358 197 K HA 0.268 4.587 4.320 -0.001 0.000 0.200 197 K C 0.982 177.552 176.600 -0.051 0.000 1.030 197 K CA 0.510 56.623 56.287 -0.290 0.000 1.097 197 K CB 0.419 32.579 32.500 -0.568 0.000 0.862 197 K HN 0.280 nan 8.250 nan 0.000 0.534 198 A N 1.068 123.873 122.820 -0.025 0.000 2.594 198 A HA 0.600 4.919 4.320 -0.001 0.000 0.287 198 A C -0.042 177.561 177.584 0.031 0.000 1.227 198 A CA -0.299 51.746 52.037 0.012 0.000 0.952 198 A CB 0.412 19.418 19.000 0.009 0.000 1.161 198 A HN 0.159 nan 8.150 nan 0.000 0.524 199 A N -0.792 122.053 122.820 0.042 0.000 2.515 199 A HA 0.654 4.973 4.320 -0.001 0.000 0.296 199 A C 0.544 178.154 177.584 0.043 0.000 1.094 199 A CA 0.037 52.092 52.037 0.031 0.000 0.718 199 A CB 0.949 19.968 19.000 0.032 0.000 1.307 199 A HN 0.121 nan 8.150 nan 0.000 0.408 200 E N 0.547 120.719 120.200 -0.046 0.000 2.077 200 E HA -0.057 4.293 4.350 -0.001 0.000 0.193 200 E C 0.249 176.793 176.600 -0.093 0.000 0.989 200 E CA 2.279 58.625 56.400 -0.090 0.000 0.800 200 E CB 0.080 29.673 29.700 -0.178 0.000 0.746 200 E HN 0.572 nan 8.360 nan 0.000 0.452 201 T N 0.458 114.887 114.554 -0.207 0.000 2.890 201 T HA 0.360 4.710 4.350 -0.001 0.000 0.295 201 T C -1.049 173.710 174.700 0.098 0.000 0.993 201 T CA -0.640 61.434 62.100 -0.044 0.000 0.979 201 T CB 1.704 70.265 68.868 -0.511 0.000 0.967 201 T HN -0.123 nan 8.240 nan 0.000 0.441 202 T N 3.153 117.850 114.554 0.238 0.000 2.767 202 T HA 0.527 4.876 4.350 -0.001 0.000 0.288 202 T C -0.110 174.630 174.700 0.067 0.000 0.963 202 T CA -0.477 61.639 62.100 0.027 0.000 1.019 202 T CB 0.804 69.539 68.868 -0.222 0.000 0.923 202 T HN 0.342 nan 8.240 nan 0.000 0.468 203 V N 4.430 124.395 119.914 0.086 0.000 2.407 203 V HA 0.440 4.559 4.120 -0.001 0.000 0.291 203 V C -0.226 175.891 176.094 0.038 0.000 1.018 203 V CA -0.820 61.512 62.300 0.054 0.000 0.842 203 V CB 1.601 33.453 31.823 0.048 0.000 0.996 203 V HN 0.678 nan 8.190 nan 0.000 0.426 204 V N 5.139 125.065 119.914 0.020 0.000 2.417 204 V HA 0.459 4.578 4.120 -0.001 0.000 0.291 204 V C 0.081 176.202 176.094 0.044 0.000 1.024 204 V CA -0.657 61.666 62.300 0.038 0.000 0.861 204 V CB 1.773 33.605 31.823 0.015 0.000 0.985 204 V HN 1.052 nan 8.190 nan 0.000 0.436 205 E N 4.644 124.896 120.200 0.086 0.000 2.191 205 E HA 0.728 5.077 4.350 -0.001 0.000 0.278 205 E C -0.760 175.933 176.600 0.154 0.000 0.972 205 E CA -0.745 55.734 56.400 0.132 0.000 0.804 205 E CB 2.190 31.991 29.700 0.168 0.000 1.110 205 E HN 0.493 nan 8.360 nan 0.000 0.394 206 V N -0.138 119.873 119.914 0.161 0.000 3.001 206 V HA 0.340 4.459 4.120 -0.001 0.000 0.314 206 V C 0.486 176.650 176.094 0.117 0.000 1.099 206 V CA -0.801 61.560 62.300 0.103 0.000 0.989 206 V CB 1.739 33.591 31.823 0.048 0.000 1.040 206 V HN 0.863 nan 8.190 nan 0.000 0.434 207 E N 0.706 120.877 120.200 -0.049 0.000 2.170 207 E HA 0.104 4.453 4.350 -0.001 0.000 0.191 207 E C 0.391 177.015 176.600 0.040 0.000 0.981 207 E CA 0.959 57.296 56.400 -0.106 0.000 0.830 207 E CB 0.521 30.110 29.700 -0.185 0.000 0.775 207 E HN 0.835 nan 8.360 nan 0.000 0.470 208 E N 0.505 120.699 120.200 -0.010 0.000 2.308 208 E HA 0.340 4.689 4.350 -0.001 0.000 0.275 208 E C -1.432 175.144 176.600 -0.039 0.000 0.890 208 E CA -0.406 55.972 56.400 -0.038 0.000 0.754 208 E CB 1.560 31.183 29.700 -0.129 0.000 1.207 208 E HN -0.064 nan 8.360 nan 0.000 0.426 209 I N 4.628 125.193 120.570 -0.008 0.000 2.336 209 I HA 0.351 4.520 4.170 -0.001 0.000 0.292 209 I C -0.001 176.066 176.117 -0.083 0.000 0.991 209 I CA -0.890 60.408 61.300 -0.003 0.000 1.227 209 I CB 1.407 39.447 38.000 0.065 0.000 1.366 209 I HN 0.340 nan 8.210 nan 0.000 0.466 210 V N 1.774 121.598 119.914 -0.149 0.000 3.046 210 V HA 0.572 4.691 4.120 -0.001 0.000 0.316 210 V C -0.451 175.495 176.094 -0.248 0.000 1.104 210 V CA -0.967 61.195 62.300 -0.231 0.000 1.006 210 V CB 1.859 33.469 31.823 -0.355 0.000 1.058 210 V HN 0.469 nan 8.190 nan 0.000 0.440 211 D N 1.337 121.597 120.400 -0.235 0.000 2.399 211 D HA 0.343 4.982 4.640 -0.001 0.000 0.241 211 D C 0.401 176.548 176.300 -0.256 0.000 1.133 211 D CA 0.301 54.179 54.000 -0.203 0.000 0.890 211 D CB 0.681 41.385 40.800 -0.159 0.000 1.201 211 D HN 0.607 nan 8.370 nan 0.000 0.432 212 I N 1.114 121.573 120.570 -0.185 0.000 2.826 212 I HA 0.034 4.203 4.170 -0.001 0.000 0.295 212 I C 1.731 177.756 176.117 -0.153 0.000 1.213 212 I CA 0.980 62.186 61.300 -0.157 0.000 1.436 212 I CB 0.125 38.073 38.000 -0.087 0.000 1.348 212 I HN 0.710 nan 8.210 nan 0.000 0.570 213 G N 3.427 112.135 108.800 -0.152 0.000 2.194 213 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.236 213 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.236 213 G C 0.985 175.793 174.900 -0.154 0.000 0.987 213 G CA 0.396 45.428 45.100 -0.114 0.000 0.635 213 G HN 0.572 nan 8.290 nan 0.000 0.520 214 S N -0.234 115.286 115.700 -0.300 0.000 2.423 214 S HA 0.263 4.732 4.470 -0.001 0.000 0.231 214 S C 0.835 175.294 174.600 -0.237 0.000 1.014 214 S CA 0.524 58.522 58.200 -0.337 0.000 0.965 214 S CB -0.125 62.746 63.200 -0.548 0.000 0.785 214 S HN 0.488 nan 8.310 nan 0.000 0.495 215 F N 1.237 121.138 119.950 -0.081 0.000 2.399 215 F HA 0.594 5.120 4.527 -0.001 0.000 0.334 215 F C 0.612 176.384 175.800 -0.046 0.000 1.097 215 F CA -1.363 56.590 58.000 -0.079 0.000 1.076 215 F CB 0.708 39.648 39.000 -0.099 0.000 1.162 215 F HN -0.040 nan 8.300 nan 0.000 0.495 216 A N 4.225 127.149 122.820 0.173 0.000 2.477 216 A HA 0.235 4.555 4.320 -0.001 0.000 0.246 216 A C -1.541 176.105 177.584 0.102 0.000 1.078 216 A CA -1.230 50.867 52.037 0.101 0.000 0.770 216 A CB -0.094 18.951 19.000 0.074 0.000 1.011 216 A HN 0.568 nan 8.150 nan 0.000 0.494 217 P HA -0.129 nan 4.420 nan 0.000 0.220 217 P C 0.600 177.933 177.300 0.055 0.000 1.148 217 P CA 1.206 64.347 63.100 0.070 0.000 0.803 217 P CB 0.232 31.963 31.700 0.052 0.000 0.782 218 E N -0.197 120.033 120.200 0.051 0.000 2.347 218 E HA -0.090 4.260 4.350 -0.001 0.000 0.196 218 E C 0.758 177.394 176.600 0.059 0.000 1.008 218 E CA 0.861 57.291 56.400 0.050 0.000 0.852 218 E CB -0.477 29.251 29.700 0.047 0.000 0.783 218 E HN 0.292 nan 8.360 nan 0.000 0.505 219 D N -0.240 120.186 120.400 0.043 0.000 2.559 219 D HA 0.150 4.790 4.640 -0.001 0.000 0.234 219 D C -0.278 175.925 176.300 -0.161 0.000 1.226 219 D CA -0.067 53.949 54.000 0.026 0.000 0.830 219 D CB 0.349 41.175 40.800 0.043 0.000 1.028 219 D HN 0.160 nan 8.370 nan 0.000 0.492 220 I N 0.827 121.325 120.570 -0.120 0.000 2.352 220 I HA 0.095 4.264 4.170 -0.001 0.000 0.290 220 I C 1.461 177.558 176.117 -0.033 0.000 1.036 220 I CA -0.288 60.861 61.300 -0.252 0.000 1.336 220 I CB 0.943 38.890 38.000 -0.089 0.000 1.407 220 I HN -0.008 nan 8.210 nan 0.000 0.497 221 H N 5.896 124.923 119.070 -0.071 0.000 2.372 221 H HA 0.199 4.754 4.556 -0.001 0.000 0.301 221 H C 0.064 175.485 175.328 0.155 0.000 1.065 221 H CA 0.413 56.518 56.048 0.095 0.000 1.364 221 H CB 0.589 30.512 29.762 0.268 0.000 1.406 221 H HN 0.314 nan 8.280 nan 0.000 0.521 222 I N 2.015 122.728 120.570 0.238 0.000 2.448 222 I HA 0.231 4.400 4.170 -0.001 0.000 0.281 222 I C -2.534 173.690 176.117 0.178 0.000 1.027 222 I CA -2.794 58.654 61.300 0.246 0.000 1.111 222 I CB 1.661 39.822 38.000 0.269 0.000 1.236 222 I HN -0.150 nan 8.210 nan 0.000 0.452 223 P HA 0.102 nan 4.420 nan 0.000 0.269 223 P C 0.764 178.121 177.300 0.094 0.000 1.215 223 P CA -0.297 62.875 63.100 0.120 0.000 0.780 223 P CB 0.549 32.292 31.700 0.072 0.000 0.898 224 K N 2.640 123.071 120.400 0.052 0.000 2.286 224 K HA -0.173 4.146 4.320 -0.001 0.000 0.203 224 K C 1.700 178.302 176.600 0.004 0.000 1.045 224 K CA 1.454 57.766 56.287 0.042 0.000 0.935 224 K CB -0.919 31.614 32.500 0.056 0.000 0.737 224 K HN 0.331 nan 8.250 nan 0.000 0.460 225 I N 0.637 121.154 120.570 -0.088 0.000 2.399 225 I HA -0.291 3.879 4.170 -0.001 0.000 0.254 225 I C 1.225 177.259 176.117 -0.139 0.000 1.146 225 I CA 1.404 62.605 61.300 -0.166 0.000 1.412 225 I CB 0.051 37.851 38.000 -0.334 0.000 1.076 225 I HN 0.188 nan 8.210 nan 0.000 0.432 226 Y N -0.698 119.598 120.300 -0.006 0.000 2.482 226 Y HA 0.195 4.745 4.550 -0.001 0.000 0.270 226 Y C 0.596 176.302 175.900 -0.323 0.000 1.152 226 Y CA -0.483 57.548 58.100 -0.114 0.000 1.292 226 Y CB 0.483 38.908 38.460 -0.058 0.000 1.070 226 Y HN -0.172 nan 8.280 nan 0.000 0.528 227 V N 0.822 120.705 119.914 -0.052 0.000 2.304 227 V HA 0.089 4.209 4.120 -0.001 0.000 0.269 227 V C 0.031 176.106 176.094 -0.031 0.000 1.036 227 V CA -0.301 61.944 62.300 -0.091 0.000 0.840 227 V CB 0.308 32.114 31.823 -0.029 0.000 1.036 227 V HN 0.451 nan 8.190 nan 0.000 0.466 228 H N 3.181 122.274 119.070 0.040 0.000 2.431 228 H HA 0.286 4.842 4.556 -0.001 0.000 0.295 228 H C 0.683 176.044 175.328 0.055 0.000 1.038 228 H CA 0.296 56.367 56.048 0.038 0.000 1.360 228 H CB 0.489 30.274 29.762 0.038 0.000 1.433 228 H HN 0.402 nan 8.280 nan 0.000 0.536 229 R N 0.914 121.510 120.500 0.159 0.000 2.575 229 R HA 0.494 4.834 4.340 -0.001 0.000 0.293 229 R C -1.710 174.603 176.300 0.022 0.000 0.983 229 R CA -0.647 55.552 56.100 0.164 0.000 0.887 229 R CB 2.759 33.127 30.300 0.114 0.000 1.184 229 R HN 0.026 nan 8.270 nan 0.000 0.445 230 L N 2.863 124.078 121.223 -0.013 0.000 2.410 230 L HA 0.672 5.012 4.340 -0.001 0.000 0.270 230 L C -1.440 175.453 176.870 0.038 0.000 0.983 230 L CA -0.930 53.824 54.840 -0.144 0.000 0.822 230 L CB 2.129 43.826 42.059 -0.604 0.000 1.285 230 L HN 0.445 nan 8.230 nan 0.000 0.409 231 V N 4.669 124.628 119.914 0.074 0.000 2.841 231 V HA 0.448 4.568 4.120 -0.001 0.000 0.310 231 V C -0.813 175.369 176.094 0.146 0.000 1.090 231 V CA -0.770 61.617 62.300 0.144 0.000 0.930 231 V CB 2.557 34.445 31.823 0.109 0.000 1.014 231 V HN 0.725 nan 8.190 nan 0.000 0.425 232 K N 4.153 124.655 120.400 0.171 0.000 2.349 232 K HA 0.458 4.777 4.320 -0.001 0.000 0.288 232 K C 0.519 177.224 176.600 0.175 0.000 1.058 232 K CA 0.261 56.659 56.287 0.185 0.000 0.953 232 K CB 1.055 33.657 32.500 0.169 0.000 0.997 232 K HN 0.927 nan 8.250 nan 0.000 0.477 233 G N 2.322 111.275 108.800 0.254 0.000 2.432 233 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.239 233 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.239 233 G C 0.377 175.253 174.900 -0.040 0.000 1.291 233 G CA -0.269 44.864 45.100 0.056 0.000 0.863 233 G HN 0.766 nan 8.290 nan 0.000 0.560 234 E N 0.270 120.401 120.200 -0.114 0.000 2.152 234 E HA -0.015 4.335 4.350 -0.001 0.000 0.192 234 E C 0.954 177.482 176.600 -0.120 0.000 0.983 234 E CA 0.853 57.210 56.400 -0.073 0.000 0.818 234 E CB 0.203 29.870 29.700 -0.054 0.000 0.758 234 E HN 0.476 nan 8.360 nan 0.000 0.467 235 K N -0.261 119.958 120.400 -0.303 0.000 2.525 235 K HA 0.259 4.578 4.320 -0.001 0.000 0.254 235 K C -2.004 174.265 176.600 -0.552 0.000 0.934 235 K CA -0.490 55.650 56.287 -0.244 0.000 0.802 235 K CB 1.229 33.665 32.500 -0.107 0.000 1.295 235 K HN -0.155 nan 8.250 nan 0.000 0.433 236 Y N 2.438 122.792 120.300 0.090 0.000 2.363 236 Y HA 0.207 4.757 4.550 -0.001 0.000 0.325 236 Y C 0.504 176.457 175.900 0.088 0.000 0.984 236 Y CA -0.537 57.625 58.100 0.103 0.000 1.248 236 Y CB 1.981 40.500 38.460 0.098 0.000 1.116 236 Y HN 0.686 nan 8.280 nan 0.000 0.470 237 E N 2.084 122.404 120.200 0.199 0.000 2.371 237 E HA -0.051 4.298 4.350 -0.001 0.000 0.194 237 E C 0.089 176.732 176.600 0.071 0.000 1.012 237 E CA 0.234 56.691 56.400 0.095 0.000 0.860 237 E CB 0.114 29.822 29.700 0.014 0.000 0.811 237 E HN 0.560 nan 8.360 nan 0.000 0.502 238 K N 1.266 121.748 120.400 0.136 0.000 3.096 238 K HA -0.196 4.123 4.320 -0.001 0.000 0.266 238 K C -0.560 176.058 176.600 0.030 0.000 1.043 238 K CA 0.302 56.642 56.287 0.089 0.000 0.758 238 K CB -1.222 31.318 32.500 0.067 0.000 1.260 238 K HN 0.164 nan 8.250 nan 0.000 0.481 239 R N 0.370 120.875 120.500 0.008 0.000 2.590 239 R HA 0.295 4.634 4.340 -0.001 0.000 0.274 239 R C 0.532 176.832 176.300 0.000 0.000 1.061 239 R CA 0.121 56.177 56.100 -0.073 0.000 1.081 239 R CB 0.471 30.610 30.300 -0.268 0.000 0.984 239 R HN 0.195 nan 8.270 nan 0.000 0.448 240 I N 2.245 122.804 120.570 -0.017 0.000 2.418 240 I HA 0.041 4.211 4.170 -0.001 0.000 0.287 240 I C 1.489 177.611 176.117 0.008 0.000 1.008 240 I CA -0.215 61.093 61.300 0.012 0.000 1.104 240 I CB 1.914 39.918 38.000 0.007 0.000 1.264 240 I HN 0.742 nan 8.210 nan 0.000 0.438 241 E N 6.057 126.278 120.200 0.035 0.000 2.299 241 E HA -0.015 4.335 4.350 -0.001 0.000 0.193 241 E C 0.743 177.360 176.600 0.028 0.000 0.998 241 E CA 0.267 56.689 56.400 0.036 0.000 0.851 241 E CB 0.639 30.375 29.700 0.060 0.000 0.795 241 E HN 0.503 nan 8.360 nan 0.000 0.492 242 R N 0.953 121.470 120.500 0.028 0.000 2.921 242 R HA 0.215 4.554 4.340 -0.001 0.000 0.269 242 R C -1.721 174.577 176.300 -0.004 0.000 1.696 242 R CA -0.564 55.544 56.100 0.014 0.000 1.161 242 R CB 0.845 31.164 30.300 0.031 0.000 1.337 242 R HN 0.087 nan 8.270 nan 0.000 0.496 243 L N 2.848 124.059 121.223 -0.021 0.000 2.369 243 L HA 0.348 4.687 4.340 -0.001 0.000 0.279 243 L C -0.951 175.869 176.870 -0.085 0.000 1.108 243 L CA 0.838 55.658 54.840 -0.035 0.000 0.852 243 L CB 1.351 43.393 42.059 -0.029 0.000 1.169 243 L HN 0.471 nan 8.230 nan 0.000 0.452 244 S N 4.205 119.832 115.700 -0.123 0.000 2.640 244 S HA 0.667 5.136 4.470 -0.001 0.000 0.320 244 S C -0.733 173.749 174.600 -0.195 0.000 1.097 244 S CA -0.578 57.441 58.200 -0.302 0.000 1.092 244 S CB 1.426 64.254 63.200 -0.620 0.000 0.988 244 S HN 0.362 nan 8.310 nan 0.000 0.470 245 V N 4.434 124.264 119.914 -0.139 0.000 2.656 245 V HA 0.555 4.674 4.120 -0.001 0.000 0.307 245 V C 0.107 176.201 176.094 0.001 0.000 1.051 245 V CA -1.074 61.212 62.300 -0.024 0.000 0.893 245 V CB 2.023 33.835 31.823 -0.018 0.000 0.999 245 V HN 0.886 nan 8.190 nan 0.000 0.426 246 R N 3.284 123.824 120.500 0.067 0.000 2.500 246 R HA 0.701 5.040 4.340 -0.001 0.000 0.277 246 R C -0.835 175.485 176.300 0.033 0.000 1.026 246 R CA -0.820 55.321 56.100 0.068 0.000 1.058 246 R CB 1.504 31.866 30.300 0.103 0.000 1.078 246 R HN 0.536 nan 8.270 nan 0.000 0.509 247 K N 1.747 122.160 120.400 0.023 0.000 2.221 247 K HA 0.173 4.492 4.320 -0.001 0.000 0.258 247 K C -0.540 176.067 176.600 0.010 0.000 0.944 247 K CA -0.717 55.577 56.287 0.012 0.000 0.823 247 K CB 2.068 34.572 32.500 0.006 0.000 1.113 247 K HN 0.591 nan 8.250 nan 0.000 0.431 263 R N 0.787 121.238 120.500 -0.081 0.000 2.092 263 R HA -0.108 4.231 4.340 -0.001 0.000 0.231 263 R C 2.031 178.297 176.300 -0.057 0.000 1.119 263 R CA 1.728 57.795 56.100 -0.054 0.000 0.970 263 R CB -0.162 30.130 30.300 -0.015 0.000 0.864 263 R HN 0.687 nan 8.270 nan 0.000 0.440 264 E N 1.296 121.464 120.200 -0.052 0.000 2.097 264 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 264 E C 1.939 178.469 176.600 -0.116 0.000 1.000 264 E CA 1.365 57.735 56.400 -0.049 0.000 0.804 264 E CB 0.108 29.796 29.700 -0.019 0.000 0.740 264 E HN 0.265 nan 8.360 nan 0.000 0.454 265 R N -0.016 120.377 120.500 -0.179 0.000 2.081 265 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 265 R C 2.474 178.661 176.300 -0.187 0.000 1.131 265 R CA 1.502 57.447 56.100 -0.259 0.000 0.960 265 R CB -0.226 29.724 30.300 -0.583 0.000 0.856 265 R HN 0.276 nan 8.270 nan 0.000 0.436 266 I N 0.272 120.748 120.570 -0.157 0.000 2.233 266 I HA -0.240 3.929 4.170 -0.001 0.000 0.243 266 I C 2.160 178.226 176.117 -0.084 0.000 1.093 266 I CA 1.214 62.451 61.300 -0.104 0.000 1.380 266 I CB -0.267 37.688 38.000 -0.075 0.000 1.067 266 I HN 0.088 nan 8.210 nan 0.000 0.413 267 I N 0.945 121.471 120.570 -0.074 0.000 2.118 267 I HA -0.336 3.834 4.170 -0.001 0.000 0.241 267 I C 2.416 178.426 176.117 -0.178 0.000 1.070 267 I CA 1.722 62.989 61.300 -0.056 0.000 1.327 267 I CB -0.383 37.626 38.000 0.015 0.000 1.034 267 I HN 0.156 nan 8.210 nan 0.000 0.405 268 K N -0.149 120.075 120.400 -0.293 0.000 2.283 268 K HA -0.168 4.151 4.320 -0.001 0.000 0.202 268 K C 2.163 178.649 176.600 -0.190 0.000 1.048 268 K CA 0.704 56.752 56.287 -0.399 0.000 0.948 268 K CB -0.019 32.261 32.500 -0.365 0.000 0.742 268 K HN 0.068 nan 8.250 nan 0.000 0.458 269 R N 1.028 121.460 120.500 -0.112 0.000 2.112 269 R HA 0.109 4.448 4.340 -0.001 0.000 0.216 269 R C 1.854 178.104 176.300 -0.084 0.000 1.080 269 R CA 1.278 57.340 56.100 -0.064 0.000 0.996 269 R CB -0.538 29.744 30.300 -0.028 0.000 0.902 269 R HN 0.086 nan 8.270 nan 0.000 0.449 270 A N 0.759 123.523 122.820 -0.093 0.000 1.940 270 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 270 A C 2.321 179.800 177.584 -0.176 0.000 1.176 270 A CA 1.803 53.763 52.037 -0.128 0.000 0.631 270 A CB -1.084 17.868 19.000 -0.081 0.000 0.814 270 A HN 0.447 nan 8.150 nan 0.000 0.446 271 A N -0.472 122.326 122.820 -0.037 0.000 2.084 271 A HA -0.050 4.270 4.320 -0.001 0.000 0.221 271 A C 1.920 179.562 177.584 0.097 0.000 1.161 271 A CA 1.457 53.584 52.037 0.150 0.000 0.653 271 A CB -0.548 18.560 19.000 0.179 0.000 0.802 271 A HN 0.506 nan 8.150 nan 0.000 0.457 272 L N -0.600 120.607 121.223 -0.027 0.000 2.599 272 L HA 0.020 4.359 4.340 -0.001 0.000 0.230 272 L C 1.708 178.533 176.870 -0.075 0.000 1.141 272 L CA 0.104 54.935 54.840 -0.015 0.000 0.877 272 L CB -0.189 41.859 42.059 -0.019 0.000 1.009 272 L HN 0.269 nan 8.230 nan 0.000 0.447 273 E N 0.259 120.323 120.200 -0.226 0.000 2.358 273 E HA 0.023 4.372 4.350 -0.001 0.000 0.195 273 E C 0.352 176.803 176.600 -0.249 0.000 1.010 273 E CA 0.326 56.561 56.400 -0.274 0.000 0.856 273 E CB 0.060 29.534 29.700 -0.378 0.000 0.795 273 E HN 0.302 nan 8.360 nan 0.000 0.504 274 F N 1.465 121.416 119.950 0.002 0.000 2.429 274 F HA 0.147 4.674 4.527 -0.001 0.000 0.348 274 F C 1.046 176.835 175.800 -0.018 0.000 1.109 274 F CA -0.058 57.936 58.000 -0.010 0.000 1.232 274 F CB 0.797 39.789 39.000 -0.013 0.000 1.157 274 F HN -0.270 nan 8.300 nan 0.000 0.564 275 E N 0.396 120.704 120.200 0.179 0.000 2.369 275 E HA 0.181 4.530 4.350 -0.001 0.000 0.270 275 E C -1.679 174.936 176.600 0.025 0.000 0.909 275 E CA -1.166 55.280 56.400 0.077 0.000 0.775 275 E CB 1.977 31.708 29.700 0.051 0.000 1.270 275 E HN 0.466 nan 8.360 nan 0.000 0.445 276 D N -0.254 120.142 120.400 -0.006 0.000 2.424 276 D HA 0.282 4.921 4.640 -0.001 0.000 0.244 276 D C 0.909 177.169 176.300 -0.066 0.000 1.134 276 D CA 1.669 55.637 54.000 -0.054 0.000 0.881 276 D CB 0.544 41.321 40.800 -0.040 0.000 1.191 276 D HN 0.603 nan 8.370 nan 0.000 0.445 277 G N 3.202 111.917 108.800 -0.141 0.000 2.179 277 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.260 277 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.260 277 G C 0.493 175.276 174.900 -0.196 0.000 0.977 277 G CA 0.356 45.372 45.100 -0.141 0.000 0.641 277 G HN 0.637 nan 8.290 nan 0.000 0.533 278 M N 0.570 120.070 119.600 -0.166 0.000 2.238 278 M HA 0.607 5.087 4.480 -0.001 0.000 0.347 278 M C -0.311 175.852 176.300 -0.229 0.000 1.173 278 M CA -0.370 54.882 55.300 -0.080 0.000 1.147 278 M CB 0.372 32.997 32.600 0.042 0.000 1.547 278 M HN 0.118 nan 8.290 nan 0.000 0.455 279 Y N 3.294 123.663 120.300 0.114 0.000 2.328 279 Y HA 0.655 5.204 4.550 -0.001 0.000 0.337 279 Y C 0.069 176.034 175.900 0.108 0.000 1.008 279 Y CA -0.501 57.670 58.100 0.119 0.000 1.129 279 Y CB 1.427 39.943 38.460 0.093 0.000 1.185 279 Y HN 0.773 nan 8.280 nan 0.000 0.476 280 A N 3.313 126.267 122.820 0.223 0.000 2.498 280 A HA 0.550 4.869 4.320 -0.001 0.000 0.298 280 A C -1.371 176.307 177.584 0.158 0.000 1.075 280 A CA -0.901 51.255 52.037 0.198 0.000 0.714 280 A CB 1.571 20.741 19.000 0.284 0.000 1.299 280 A HN 0.679 nan 8.150 nan 0.000 0.407 281 N N 1.825 120.604 118.700 0.131 0.000 2.407 281 N HA 0.539 5.278 4.740 -0.001 0.000 0.277 281 N C -1.702 173.872 175.510 0.107 0.000 0.995 281 N CA -0.207 52.902 53.050 0.097 0.000 0.903 281 N CB 0.980 39.506 38.487 0.065 0.000 1.218 281 N HN 0.602 nan 8.380 nan 0.000 0.487 282 L N 2.274 123.561 121.223 0.107 0.000 2.333 282 L HA 0.521 4.860 4.340 -0.001 0.000 0.280 282 L C 1.246 178.172 176.870 0.094 0.000 1.004 282 L CA -1.042 53.868 54.840 0.117 0.000 0.820 282 L CB 1.791 43.942 42.059 0.152 0.000 1.247 282 L HN 0.473 nan 8.230 nan 0.000 0.416 283 G N 2.517 111.369 108.800 0.086 0.000 2.599 283 G HA2 0.423 4.382 3.960 -0.001 0.000 0.264 283 G HA3 0.423 4.382 3.960 -0.001 0.000 0.264 283 G C 0.109 175.060 174.900 0.084 0.000 1.200 283 G CA -0.753 44.395 45.100 0.079 0.000 0.896 283 G HN 0.710 nan 8.290 nan 0.000 0.536 284 I N -0.658 119.960 120.570 0.080 0.000 2.775 284 I HA 0.447 4.616 4.170 -0.001 0.000 0.290 284 I C 1.040 177.207 176.117 0.084 0.000 1.203 284 I CA 0.524 61.877 61.300 0.088 0.000 1.433 284 I CB 0.025 38.071 38.000 0.077 0.000 1.354 284 I HN 1.240 nan 8.210 nan 0.000 0.579 285 G N 4.379 113.236 108.800 0.096 0.000 2.662 285 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.236 285 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.236 285 G C 0.373 175.328 174.900 0.092 0.000 1.212 285 G CA 0.060 45.212 45.100 0.086 0.000 0.968 285 G HN 0.717 nan 8.290 nan 0.000 0.576 286 I N 2.808 123.423 120.570 0.075 0.000 2.163 286 I HA -0.102 4.068 4.170 -0.001 0.000 0.243 286 I C 0.065 176.240 176.117 0.096 0.000 1.085 286 I CA 2.366 63.711 61.300 0.075 0.000 1.347 286 I CB -0.912 37.113 38.000 0.042 0.000 1.044 286 I HN 0.346 nan 8.210 nan 0.000 0.408 287 P HA -0.182 nan 4.420 nan 0.000 0.215 287 P C 1.827 179.230 177.300 0.172 0.000 1.157 287 P CA 1.152 64.320 63.100 0.113 0.000 0.863 287 P CB 0.005 31.760 31.700 0.091 0.000 0.787 288 L N -0.945 120.361 121.223 0.138 0.000 2.083 288 L HA -0.113 4.227 4.340 -0.001 0.000 0.209 288 L C 2.179 179.124 176.870 0.124 0.000 1.083 288 L CA 1.684 56.596 54.840 0.120 0.000 0.752 288 L CB -1.409 40.708 42.059 0.097 0.000 0.899 288 L HN -0.124 nan 8.230 nan 0.000 0.433 289 L N -0.771 120.541 121.223 0.148 0.000 2.083 289 L HA -0.181 4.158 4.340 -0.001 0.000 0.209 289 L C 2.622 179.651 176.870 0.265 0.000 1.083 289 L CA 1.071 56.015 54.840 0.173 0.000 0.752 289 L CB -0.841 41.324 42.059 0.177 0.000 0.899 289 L HN 0.369 nan 8.230 nan 0.000 0.433 290 A N 0.105 123.102 122.820 0.294 0.000 1.978 290 A HA -0.241 4.078 4.320 -0.001 0.000 0.220 290 A C 2.488 180.362 177.584 0.483 0.000 1.170 290 A CA 1.950 54.237 52.037 0.417 0.000 0.636 290 A CB -0.668 18.519 19.000 0.312 0.000 0.810 290 A HN 0.551 nan 8.150 nan 0.000 0.448 291 S N 0.321 116.186 115.700 0.274 0.000 2.474 291 S HA -0.150 4.320 4.470 -0.001 0.000 0.235 291 S C 1.489 176.039 174.600 -0.083 0.000 0.997 291 S CA 1.122 59.294 58.200 -0.047 0.000 0.949 291 S CB -0.623 62.486 63.200 -0.153 0.000 0.766 291 S HN 0.583 nan 8.310 nan 0.000 0.517 292 N N 1.133 119.812 118.700 -0.034 0.000 2.364 292 N HA 0.036 4.775 4.740 -0.001 0.000 0.183 292 N C 0.478 175.796 175.510 -0.321 0.000 1.022 292 N CA 0.950 53.870 53.050 -0.217 0.000 0.883 292 N CB -0.476 37.820 38.487 -0.318 0.000 0.965 292 N HN 0.568 nan 8.380 nan 0.000 0.438 293 F N 0.608 120.565 119.950 0.011 0.000 2.693 293 F HA 0.328 4.855 4.527 -0.001 0.000 0.303 293 F C 0.847 176.655 175.800 0.013 0.000 1.097 293 F CA -0.402 57.615 58.000 0.028 0.000 1.330 293 F CB 0.044 39.085 39.000 0.069 0.000 1.067 293 F HN -0.178 nan 8.300 nan 0.000 0.565 294 I N 1.061 121.669 120.570 0.063 0.000 2.618 294 I HA -0.019 4.150 4.170 -0.001 0.000 0.284 294 I C 0.884 176.983 176.117 -0.030 0.000 1.146 294 I CA -0.266 61.016 61.300 -0.030 0.000 1.425 294 I CB 0.537 38.383 38.000 -0.258 0.000 1.383 294 I HN 0.082 nan 8.210 nan 0.000 0.562 295 S N 7.607 123.304 115.700 -0.005 0.000 2.580 295 S HA 0.249 4.719 4.470 -0.001 0.000 0.274 295 S C -1.420 173.153 174.600 -0.045 0.000 1.329 295 S CA -1.153 57.041 58.200 -0.010 0.000 1.036 295 S CB 0.983 64.190 63.200 0.011 0.000 0.919 295 S HN 0.489 nan 8.310 nan 0.000 0.515 296 P HA -0.101 nan 4.420 nan 0.000 0.221 296 P C 0.371 177.642 177.300 -0.049 0.000 1.145 296 P CA 1.023 64.092 63.100 -0.051 0.000 0.795 296 P CB -0.164 31.513 31.700 -0.039 0.000 0.775 297 N N -0.824 117.854 118.700 -0.036 0.000 2.467 297 N HA 0.029 4.768 4.740 -0.001 0.000 0.184 297 N C 0.936 176.420 175.510 -0.044 0.000 1.106 297 N CA 0.370 53.401 53.050 -0.033 0.000 0.892 297 N CB -0.205 38.271 38.487 -0.018 0.000 0.969 297 N HN 0.331 nan 8.380 nan 0.000 0.454 298 M N 0.212 119.776 119.600 -0.061 0.000 2.436 298 M HA 0.275 4.755 4.480 -0.001 0.000 0.331 298 M C -1.149 175.068 176.300 -0.139 0.000 1.135 298 M CA -0.285 54.967 55.300 -0.080 0.000 0.987 298 M CB 1.684 34.251 32.600 -0.056 0.000 1.687 298 M HN -0.254 nan 8.290 nan 0.000 0.445 299 T N 3.812 118.257 114.554 -0.182 0.000 2.791 299 T HA 0.592 4.941 4.350 -0.001 0.000 0.288 299 T C -1.114 173.322 174.700 -0.441 0.000 0.999 299 T CA -0.467 61.449 62.100 -0.307 0.000 0.952 299 T CB 1.010 69.700 68.868 -0.296 0.000 0.938 299 T HN 0.476 nan 8.240 nan 0.000 0.444 300 V N 4.295 123.912 119.914 -0.494 0.000 2.540 300 V HA 0.386 4.506 4.120 -0.001 0.000 0.302 300 V C -0.702 175.077 176.094 -0.525 0.000 1.035 300 V CA -0.999 61.009 62.300 -0.486 0.000 0.873 300 V CB 1.585 33.166 31.823 -0.404 0.000 0.992 300 V HN 0.911 nan 8.190 nan 0.000 0.428 301 H N 4.667 123.574 119.070 -0.273 0.000 2.597 301 H HA 0.545 5.100 4.556 -0.001 0.000 0.303 301 H C -0.535 174.759 175.328 -0.056 0.000 1.057 301 H CA -0.479 55.453 56.048 -0.194 0.000 1.261 301 H CB 1.040 30.603 29.762 -0.332 0.000 1.397 301 H HN 0.461 nan 8.280 nan 0.000 0.461 302 L N 3.285 124.548 121.223 0.066 0.000 2.276 302 L HA 0.235 4.574 4.340 -0.001 0.000 0.286 302 L C 0.192 177.109 176.870 0.078 0.000 1.061 302 L CA -0.450 54.422 54.840 0.054 0.000 0.807 302 L CB 1.036 43.085 42.059 -0.016 0.000 1.177 302 L HN 0.538 nan 8.230 nan 0.000 0.429 303 Q N 2.195 122.054 119.800 0.099 0.000 2.230 303 Q HA 0.357 4.696 4.340 -0.001 0.000 0.253 303 Q C -1.164 174.848 176.000 0.019 0.000 0.919 303 Q CA -0.127 55.724 55.803 0.081 0.000 0.908 303 Q CB 2.177 30.975 28.738 0.100 0.000 1.245 303 Q HN 0.587 nan 8.270 nan 0.000 0.437 304 S N 1.794 117.477 115.700 -0.029 0.000 2.519 304 S HA 0.146 4.615 4.470 -0.001 0.000 0.309 304 S C 0.740 175.239 174.600 -0.169 0.000 1.100 304 S CA -0.578 57.571 58.200 -0.084 0.000 1.059 304 S CB 0.834 63.973 63.200 -0.101 0.000 1.008 304 S HN 0.673 nan 8.310 nan 0.000 0.478 305 E N 3.644 123.730 120.200 -0.192 0.000 2.338 305 E HA -0.148 4.202 4.350 -0.001 0.000 0.197 305 E C 0.681 177.065 176.600 -0.360 0.000 1.007 305 E CA 0.757 56.952 56.400 -0.341 0.000 0.849 305 E CB -0.405 29.108 29.700 -0.312 0.000 0.774 305 E HN 0.721 nan 8.360 nan 0.000 0.506 306 N N 1.272 119.675 118.700 -0.495 0.000 2.521 306 N HA -0.001 4.739 4.740 -0.001 0.000 0.188 306 N C 0.845 176.059 175.510 -0.494 0.000 1.146 306 N CA 0.889 53.494 53.050 -0.742 0.000 0.893 306 N CB 0.323 37.903 38.487 -1.513 0.000 0.975 306 N HN 0.299 nan 8.380 nan 0.000 0.451 307 G N 0.229 108.755 108.800 -0.455 0.000 2.337 307 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.134 307 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.134 307 G C -0.701 173.537 174.900 -1.103 0.000 1.052 307 G CA -0.400 44.268 45.100 -0.721 0.000 0.737 307 G HN 0.312 nan 8.290 nan 0.000 0.485 308 I N -0.269 119.852 120.570 -0.749 0.000 2.582 308 I HA 0.668 4.838 4.170 -0.001 0.000 0.292 308 I C -0.614 175.370 176.117 -0.222 0.000 1.066 308 I CA -1.326 59.649 61.300 -0.542 0.000 1.053 308 I CB 2.170 40.033 38.000 -0.228 0.000 1.241 308 I HN 0.084 nan 8.210 nan 0.000 0.421 309 L N 5.167 126.321 121.223 -0.114 0.000 2.349 309 L HA 0.841 5.180 4.340 -0.001 0.000 0.278 309 L C 0.248 177.085 176.870 -0.055 0.000 0.996 309 L CA 0.239 55.115 54.840 0.061 0.000 0.825 309 L CB 1.560 43.736 42.059 0.195 0.000 1.243 309 L HN 0.818 nan 8.230 nan 0.000 0.412 310 G N 4.575 113.370 108.800 -0.008 0.000 2.337 310 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.134 310 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.134 310 G C -0.279 174.592 174.900 -0.048 0.000 1.052 310 G CA -0.272 44.820 45.100 -0.012 0.000 0.737 310 G HN 0.614 nan 8.290 nan 0.000 0.485 311 L N 0.367 121.562 121.223 -0.047 0.000 2.485 311 L HA 0.475 4.814 4.340 -0.001 0.000 0.275 311 L C 1.462 178.284 176.870 -0.080 0.000 1.207 311 L CA 0.801 55.603 54.840 -0.063 0.000 0.855 311 L CB 0.501 42.523 42.059 -0.062 0.000 1.114 311 L HN 0.361 nan 8.230 nan 0.000 0.485 312 G N 2.444 111.192 108.800 -0.086 0.000 3.075 312 G HA2 0.657 4.616 3.960 -0.001 0.000 0.253 312 G HA3 0.657 4.616 3.960 -0.001 0.000 0.253 312 G C -2.709 172.099 174.900 -0.154 0.000 1.353 312 G CA -0.940 44.098 45.100 -0.103 0.000 1.051 312 G HN 0.400 nan 8.290 nan 0.000 0.553 313 P HA 0.141 nan 4.420 nan 0.000 0.273 313 P C -0.799 176.406 177.300 -0.159 0.000 1.250 313 P CA -0.271 62.711 63.100 -0.197 0.000 0.793 313 P CB 0.369 32.006 31.700 -0.105 0.000 1.011 314 Y N 0.315 120.609 120.300 -0.011 0.000 2.578 314 Y HA 0.065 4.615 4.550 -0.000 0.000 0.339 314 Y C -1.155 174.742 175.900 -0.004 0.000 1.231 314 Y CA -1.615 56.484 58.100 -0.002 0.000 1.461 314 Y CB -0.687 37.773 38.460 0.000 0.000 1.323 314 Y HN 0.295 nan 8.280 nan 0.000 0.590 315 P HA 0.059 nan 4.420 nan 0.000 0.275 315 P C -0.481 176.861 177.300 0.071 0.000 1.228 315 P CA -0.111 63.042 63.100 0.090 0.000 0.786 315 P CB 0.879 32.623 31.700 0.072 0.000 0.927 316 L N 1.635 122.884 121.223 0.044 0.000 2.476 316 L HA -0.007 4.332 4.340 -0.001 0.000 0.264 316 L C 2.357 179.242 176.870 0.024 0.000 1.224 316 L CA -0.083 54.775 54.840 0.030 0.000 0.821 316 L CB -0.180 41.892 42.059 0.020 0.000 1.101 316 L HN 0.370 nan 8.230 nan 0.000 0.488 317 Q N 1.549 121.359 119.800 0.016 0.000 2.112 317 Q HA -0.231 4.108 4.340 -0.001 0.000 0.206 317 Q C 1.693 177.700 176.000 0.012 0.000 0.987 317 Q CA 2.196 58.005 55.803 0.011 0.000 0.858 317 Q CB -0.185 28.557 28.738 0.006 0.000 0.905 317 Q HN 0.725 nan 8.270 nan 0.000 0.420 318 N N -0.592 118.116 118.700 0.012 0.000 2.515 318 N HA -0.119 4.621 4.740 -0.001 0.000 0.185 318 N C 0.490 176.008 175.510 0.013 0.000 1.109 318 N CA 0.809 53.866 53.050 0.012 0.000 0.903 318 N CB 0.056 38.550 38.487 0.011 0.000 0.969 318 N HN 0.394 nan 8.380 nan 0.000 0.450 319 E N 0.022 120.232 120.200 0.016 0.000 2.476 319 E HA 0.158 4.507 4.350 -0.001 0.000 0.199 319 E C -0.249 176.363 176.600 0.019 0.000 1.021 319 E CA -0.258 56.153 56.400 0.018 0.000 0.907 319 E CB 0.987 30.701 29.700 0.023 0.000 0.974 319 E HN 0.048 nan 8.360 nan 0.000 0.489 320 V N 2.472 122.397 119.914 0.019 0.000 2.599 320 V HA -0.011 4.108 4.120 -0.001 0.000 0.300 320 V C 0.016 176.114 176.094 0.008 0.000 1.034 320 V CA 0.559 62.871 62.300 0.020 0.000 1.115 320 V CB 0.693 32.526 31.823 0.016 0.000 0.934 320 V HN 0.122 nan 8.190 nan 0.000 0.485 321 D N 3.287 123.691 120.400 0.006 0.000 2.855 321 D HA 0.473 5.112 4.640 -0.001 0.000 0.241 321 D C 0.524 176.817 176.300 -0.011 0.000 1.277 321 D CA -0.112 53.878 54.000 -0.016 0.000 0.918 321 D CB 2.223 43.001 40.800 -0.037 0.000 1.462 321 D HN 0.483 nan 8.370 nan 0.000 0.559 322 A N 3.177 125.991 122.820 -0.010 0.000 2.125 322 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 322 A C 1.205 178.787 177.584 -0.003 0.000 1.156 322 A CA 1.136 53.178 52.037 0.009 0.000 0.671 322 A CB 0.029 19.042 19.000 0.022 0.000 0.794 322 A HN 0.487 nan 8.150 nan 0.000 0.459 323 D N -1.447 118.917 120.400 -0.060 0.000 2.340 323 D HA 0.176 4.816 4.640 -0.001 0.000 0.220 323 D C -0.328 175.903 176.300 -0.116 0.000 1.039 323 D CA 0.343 54.278 54.000 -0.109 0.000 0.866 323 D CB 0.463 41.130 40.800 -0.223 0.000 0.913 323 D HN 0.295 nan 8.370 nan 0.000 0.523 324 L N 1.766 122.959 121.223 -0.050 0.000 2.454 324 L HA 0.384 4.723 4.340 -0.001 0.000 0.258 324 L C -0.819 176.080 176.870 0.048 0.000 1.025 324 L CA -0.767 54.066 54.840 -0.012 0.000 0.901 324 L CB 0.503 42.563 42.059 0.001 0.000 1.210 324 L HN -0.090 nan 8.230 nan 0.000 0.457 325 I N 1.030 121.642 120.570 0.069 0.000 2.934 325 I HA 0.737 4.907 4.170 -0.001 0.000 0.306 325 I C -0.489 175.699 176.117 0.119 0.000 1.110 325 I CA -0.864 60.508 61.300 0.121 0.000 1.019 325 I CB 2.112 40.214 38.000 0.171 0.000 1.227 325 I HN 0.541 nan 8.210 nan 0.000 0.434 326 N N 3.097 121.887 118.700 0.151 0.000 2.476 326 N HA 0.420 5.160 4.740 -0.001 0.000 0.287 326 N C 0.752 176.399 175.510 0.229 0.000 1.262 326 N CA -0.104 53.024 53.050 0.130 0.000 0.980 326 N CB 0.652 39.209 38.487 0.118 0.000 1.163 326 N HN 0.822 nan 8.380 nan 0.000 0.592 327 A N -1.092 121.846 122.820 0.196 0.000 2.015 327 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 327 A C 1.765 179.552 177.584 0.338 0.000 1.163 327 A CA 1.440 53.688 52.037 0.351 0.000 0.646 327 A CB -1.439 17.688 19.000 0.212 0.000 0.806 327 A HN 0.805 nan 8.150 nan 0.000 0.448 328 G N -1.472 107.455 108.800 0.212 0.000 3.026 328 G HA2 0.245 4.205 3.960 -0.001 0.000 0.208 328 G HA3 0.245 4.205 3.960 -0.001 0.000 0.208 328 G C 0.573 175.568 174.900 0.158 0.000 1.169 328 G CA 0.464 45.656 45.100 0.152 0.000 0.788 328 G HN 0.308 nan 8.290 nan 0.000 0.533 329 K N -0.303 120.225 120.400 0.215 0.000 3.391 329 K HA -0.162 4.158 4.320 -0.001 0.000 0.307 329 K C -0.030 176.659 176.600 0.149 0.000 1.304 329 K CA 0.861 57.260 56.287 0.186 0.000 0.904 329 K CB -1.912 30.653 32.500 0.108 0.000 1.293 329 K HN 0.656 nan 8.250 nan 0.000 0.470 330 E N 1.426 121.723 120.200 0.161 0.000 2.301 330 E HA 0.178 4.528 4.350 -0.001 0.000 0.275 330 E C 0.387 177.082 176.600 0.158 0.000 1.030 330 E CA -0.140 56.343 56.400 0.139 0.000 0.852 330 E CB 0.638 30.454 29.700 0.194 0.000 1.060 330 E HN 0.241 nan 8.360 nan 0.000 0.401 331 T N -0.461 114.162 114.554 0.115 0.000 2.934 331 T HA 0.196 4.545 4.350 -0.001 0.000 0.306 331 T C 0.032 174.857 174.700 0.209 0.000 1.042 331 T CA -0.660 61.513 62.100 0.122 0.000 1.145 331 T CB 0.731 69.643 68.868 0.074 0.000 0.982 331 T HN 0.214 nan 8.240 nan 0.000 0.544 332 V N 2.198 122.206 119.914 0.156 0.000 3.156 332 V HA 0.857 4.977 4.120 -0.001 0.000 0.310 332 V C 0.011 176.150 176.094 0.076 0.000 1.234 332 V CA -0.262 62.120 62.300 0.136 0.000 1.065 332 V CB 2.585 34.461 31.823 0.089 0.000 1.088 332 V HN 1.437 nan 8.190 nan 0.000 0.451 333 T N -0.062 114.511 114.554 0.033 0.000 2.940 333 T HA 0.826 5.175 4.350 -0.001 0.000 0.288 333 T C -0.521 174.179 174.700 -0.001 0.000 1.045 333 T CA -0.163 61.950 62.100 0.020 0.000 1.018 333 T CB 1.580 70.452 68.868 0.007 0.000 1.151 333 T HN 1.441 nan 8.240 nan 0.000 0.529 334 V N -0.556 119.359 119.914 0.002 0.000 2.919 334 V HA 0.762 4.881 4.120 -0.001 0.000 0.316 334 V C -0.321 175.753 176.094 -0.033 0.000 1.077 334 V CA -1.311 60.969 62.300 -0.033 0.000 0.977 334 V CB 1.032 32.815 31.823 -0.066 0.000 1.039 334 V HN 0.986 nan 8.190 nan 0.000 0.441 335 L N 1.430 122.628 121.223 -0.043 0.000 2.448 335 L HA 0.559 4.898 4.340 -0.001 0.000 0.258 335 L C -2.110 174.744 176.870 -0.026 0.000 1.104 335 L CA -1.858 52.964 54.840 -0.031 0.000 0.800 335 L CB 0.906 42.949 42.059 -0.026 0.000 1.241 335 L HN 0.464 nan 8.230 nan 0.000 0.472 336 P HA 0.107 nan 4.420 nan 0.000 0.268 336 P C 0.417 177.708 177.300 -0.015 0.000 1.205 336 P CA 0.498 63.591 63.100 -0.011 0.000 0.771 336 P CB 0.595 32.293 31.700 -0.003 0.000 0.858 337 G N 0.881 109.665 108.800 -0.026 0.000 2.143 337 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.249 337 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.249 337 G C 0.455 175.309 174.900 -0.077 0.000 0.981 337 G CA -0.038 45.038 45.100 -0.040 0.000 0.665 337 G HN 0.837 nan 8.290 nan 0.000 0.528 338 A N -0.341 122.418 122.820 -0.103 0.000 2.327 338 A HA 0.878 5.197 4.320 -0.001 0.000 0.255 338 A C 0.827 178.266 177.584 -0.240 0.000 1.099 338 A CA 0.950 52.878 52.037 -0.181 0.000 0.801 338 A CB 0.681 19.531 19.000 -0.249 0.000 1.062 338 A HN 2.063 nan 8.150 nan 0.000 0.496 339 S N -1.291 114.213 115.700 -0.325 0.000 2.588 339 S HA 0.744 5.213 4.470 -0.001 0.000 0.275 339 S C -1.256 173.003 174.600 -0.569 0.000 1.130 339 S CA -0.643 57.385 58.200 -0.287 0.000 0.855 339 S CB 0.873 64.067 63.200 -0.010 0.000 1.116 339 S HN 0.567 nan 8.310 nan 0.000 0.472 340 Y N 0.762 120.982 120.300 -0.133 0.000 2.485 340 Y HA 0.801 5.350 4.550 -0.001 0.000 0.345 340 Y C -0.380 175.340 175.900 -0.301 0.000 0.998 340 Y CA -0.969 56.887 58.100 -0.406 0.000 1.059 340 Y CB 1.800 40.101 38.460 -0.266 0.000 1.234 340 Y HN 0.865 nan 8.280 nan 0.000 0.461 341 F N -1.726 118.205 119.950 -0.032 0.000 2.741 341 F HA 0.686 5.213 4.527 -0.001 0.000 0.313 341 F C -0.553 175.131 175.800 -0.193 0.000 1.153 341 F CA -1.620 56.294 58.000 -0.142 0.000 0.931 341 F CB 0.520 39.424 39.000 -0.161 0.000 1.335 341 F HN 0.340 nan 8.300 nan 0.000 0.460 342 S N -0.179 115.508 115.700 -0.022 0.000 2.624 342 S HA 0.329 4.798 4.470 -0.001 0.000 0.263 342 S C 0.621 175.130 174.600 -0.152 0.000 1.287 342 S CA 0.033 58.125 58.200 -0.181 0.000 0.990 342 S CB 1.258 64.326 63.200 -0.221 0.000 0.950 342 S HN 0.693 nan 8.310 nan 0.000 0.561 343 S N 1.496 117.007 115.700 -0.315 0.000 2.382 343 S HA -0.139 4.330 4.470 -0.001 0.000 0.228 343 S C 1.732 176.232 174.600 -0.168 0.000 1.027 343 S CA 1.402 59.388 58.200 -0.357 0.000 0.991 343 S CB -0.704 61.886 63.200 -1.017 0.000 0.823 343 S HN 0.930 nan 8.310 nan 0.000 0.469 344 D N 1.476 121.747 120.400 -0.214 0.000 2.144 344 D HA -0.174 4.466 4.640 -0.001 0.000 0.199 344 D C 1.777 178.038 176.300 -0.064 0.000 0.984 344 D CA 1.199 55.134 54.000 -0.108 0.000 0.834 344 D CB -0.461 40.256 40.800 -0.139 0.000 0.955 344 D HN 0.372 nan 8.370 nan 0.000 0.465 345 E N 1.028 121.179 120.200 -0.083 0.000 2.106 345 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 345 E C 2.078 178.592 176.600 -0.143 0.000 0.984 345 E CA 1.309 57.639 56.400 -0.116 0.000 0.806 345 E CB -0.426 29.208 29.700 -0.109 0.000 0.750 345 E HN 0.146 nan 8.360 nan 0.000 0.458 346 S N -1.220 114.475 115.700 -0.009 0.000 2.370 346 S HA -0.133 4.336 4.470 -0.001 0.000 0.226 346 S C 1.607 176.040 174.600 -0.279 0.000 1.033 346 S CA 1.313 59.470 58.200 -0.072 0.000 1.011 346 S CB -0.442 62.697 63.200 -0.102 0.000 0.852 346 S HN 0.379 nan 8.310 nan 0.000 0.457 347 F N 1.454 121.375 119.950 -0.049 0.000 2.512 347 F HA 0.313 4.839 4.527 -0.001 0.000 0.296 347 F C 2.386 178.166 175.800 -0.033 0.000 1.110 347 F CA 0.436 58.419 58.000 -0.027 0.000 1.446 347 F CB -0.622 38.368 39.000 -0.017 0.000 1.092 347 F HN 0.257 nan 8.300 nan 0.000 0.554 348 A N 0.075 122.920 122.820 0.041 0.000 1.877 348 A HA -0.243 4.077 4.320 -0.001 0.000 0.216 348 A C 2.278 179.860 177.584 -0.003 0.000 1.186 348 A CA 1.769 53.801 52.037 -0.009 0.000 0.620 348 A CB -0.785 18.162 19.000 -0.088 0.000 0.822 348 A HN 0.394 nan 8.150 nan 0.000 0.443 349 M N -0.576 118.955 119.600 -0.115 0.000 2.108 349 M HA -0.141 4.339 4.480 -0.001 0.000 0.261 349 M C 1.955 178.283 176.300 0.047 0.000 1.066 349 M CA 1.882 57.106 55.300 -0.126 0.000 1.107 349 M CB -0.312 32.086 32.600 -0.336 0.000 1.356 349 M HN 0.454 nan 8.290 nan 0.000 0.406 350 I N -0.502 120.059 120.570 -0.016 0.000 2.163 350 I HA -0.286 3.883 4.170 -0.001 0.000 0.240 350 I C 2.506 178.679 176.117 0.093 0.000 1.081 350 I CA 1.283 62.599 61.300 0.027 0.000 1.353 350 I CB -0.471 37.509 38.000 -0.032 0.000 1.054 350 I HN 0.264 nan 8.210 nan 0.000 0.407 351 R N 0.579 121.160 120.500 0.135 0.000 2.120 351 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 351 R C 2.125 178.481 176.300 0.093 0.000 1.123 351 R CA 1.284 57.468 56.100 0.139 0.000 0.975 351 R CB -0.510 29.889 30.300 0.164 0.000 0.866 351 R HN 0.432 nan 8.270 nan 0.000 0.446 352 G N -0.674 108.179 108.800 0.088 0.000 2.848 352 G HA2 0.079 4.039 3.960 -0.001 0.000 0.208 352 G HA3 0.079 4.039 3.960 -0.001 0.000 0.208 352 G C 0.806 175.574 174.900 -0.219 0.000 1.152 352 G CA 0.449 45.551 45.100 0.004 0.000 0.789 352 G HN 0.462 nan 8.290 nan 0.000 0.531 353 G N -0.226 108.506 108.800 -0.113 0.000 2.147 353 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 353 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 353 G C 0.825 175.592 174.900 -0.221 0.000 1.005 353 G CA 0.492 45.505 45.100 -0.146 0.000 0.713 353 G HN 0.595 nan 8.290 nan 0.000 0.515 354 H N -1.074 117.961 119.070 -0.059 0.000 2.512 354 H HA 0.154 4.709 4.556 -0.001 0.000 0.279 354 H C 1.471 176.744 175.328 -0.090 0.000 0.999 354 H CA 1.000 56.983 56.048 -0.108 0.000 1.283 354 H CB 0.416 30.065 29.762 -0.188 0.000 1.421 354 H HN 0.335 nan 8.280 nan 0.000 0.554 355 V N 2.532 122.484 119.914 0.062 0.000 2.530 355 V HA -0.033 4.086 4.120 -0.001 0.000 0.282 355 V C 0.808 176.964 176.094 0.103 0.000 1.048 355 V CA 0.091 62.450 62.300 0.097 0.000 0.997 355 V CB 1.248 33.120 31.823 0.082 0.000 0.987 355 V HN 0.383 nan 8.190 nan 0.000 0.477 356 N N 2.959 121.754 118.700 0.159 0.000 2.216 356 N HA 0.047 4.786 4.740 -0.001 0.000 0.183 356 N C 0.034 175.598 175.510 0.091 0.000 1.017 356 N CA 0.505 53.629 53.050 0.124 0.000 0.861 356 N CB 0.163 38.745 38.487 0.158 0.000 0.986 356 N HN 0.502 nan 8.380 nan 0.000 0.428 357 L N 0.245 121.530 121.223 0.103 0.000 2.438 357 L HA 0.433 4.772 4.340 -0.001 0.000 0.270 357 L C -1.394 175.523 176.870 0.079 0.000 0.972 357 L CA -0.312 54.571 54.840 0.072 0.000 0.831 357 L CB 2.137 44.233 42.059 0.061 0.000 1.273 357 L HN -0.236 nan 8.230 nan 0.000 0.405 358 T N 6.268 120.856 114.554 0.058 0.000 2.770 358 T HA 0.595 4.945 4.350 -0.001 0.000 0.283 358 T C -0.571 174.153 174.700 0.041 0.000 0.988 358 T CA -0.098 62.038 62.100 0.060 0.000 0.957 358 T CB 0.872 69.777 68.868 0.062 0.000 0.930 358 T HN 0.684 nan 8.240 nan 0.000 0.443 359 M N 5.649 125.276 119.600 0.045 0.000 2.259 359 M HA 0.641 5.120 4.480 -0.001 0.000 0.304 359 M C -1.954 174.372 176.300 0.043 0.000 1.019 359 M CA -0.862 54.450 55.300 0.022 0.000 0.922 359 M CB 0.766 33.357 32.600 -0.015 0.000 1.600 359 M HN 0.518 nan 8.290 nan 0.000 0.433 360 L N 2.917 124.163 121.223 0.037 0.000 2.491 360 L HA 1.021 5.360 4.340 -0.001 0.000 0.254 360 L C -0.226 176.667 176.870 0.039 0.000 1.048 360 L CA -0.807 54.061 54.840 0.047 0.000 0.855 360 L CB 0.402 42.495 42.059 0.058 0.000 1.466 360 L HN 0.596 nan 8.230 nan 0.000 0.409 361 G N -0.896 107.931 108.800 0.044 0.000 2.562 361 G HA2 0.795 4.755 3.960 -0.001 0.000 0.275 361 G HA3 0.795 4.755 3.960 -0.001 0.000 0.275 361 G C -1.006 173.918 174.900 0.040 0.000 1.196 361 G CA -0.051 45.071 45.100 0.037 0.000 0.908 361 G HN 1.204 nan 8.290 nan 0.000 0.524 362 A N 0.119 122.956 122.820 0.028 0.000 2.572 362 A HA 0.617 4.936 4.320 -0.001 0.000 0.295 362 A C 0.507 178.100 177.584 0.016 0.000 1.072 362 A CA -0.619 51.435 52.037 0.029 0.000 0.691 362 A CB 1.397 20.407 19.000 0.017 0.000 1.291 362 A HN 0.574 nan 8.150 nan 0.000 0.404 363 M N -0.229 119.381 119.600 0.016 0.000 2.357 363 M HA 0.110 4.589 4.480 -0.001 0.000 0.266 363 M C 0.356 176.650 176.300 -0.010 0.000 1.095 363 M CA 1.358 56.658 55.300 0.001 0.000 1.156 363 M CB 0.233 32.829 32.600 -0.006 0.000 1.365 363 M HN 0.742 nan 8.290 nan 0.000 0.447 364 Q N -0.446 119.348 119.800 -0.010 0.000 2.377 364 Q HA 0.579 4.918 4.340 -0.001 0.000 0.279 364 Q C -1.585 174.399 176.000 -0.026 0.000 1.049 364 Q CA -0.634 55.155 55.803 -0.023 0.000 0.825 364 Q CB 3.673 32.400 28.738 -0.018 0.000 1.401 364 Q HN -0.061 nan 8.270 nan 0.000 0.404 365 V N 1.116 120.997 119.914 -0.056 0.000 2.709 365 V HA 0.534 4.653 4.120 -0.001 0.000 0.308 365 V C -0.270 175.769 176.094 -0.092 0.000 1.062 365 V CA -0.690 61.572 62.300 -0.063 0.000 0.901 365 V CB 1.914 33.687 31.823 -0.082 0.000 1.003 365 V HN 0.915 nan 8.190 nan 0.000 0.425 366 S N 3.141 118.799 115.700 -0.069 0.000 2.693 366 S HA 0.389 4.859 4.470 -0.001 0.000 0.276 366 S C 1.082 175.589 174.600 -0.156 0.000 1.192 366 S CA -0.149 57.998 58.200 -0.088 0.000 0.994 366 S CB 1.377 64.563 63.200 -0.024 0.000 1.012 366 S HN 0.772 nan 8.310 nan 0.000 0.550 367 K N -0.085 120.171 120.400 -0.239 0.000 2.113 367 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 367 K C 0.736 177.049 176.600 -0.477 0.000 1.047 367 K CA 1.734 57.762 56.287 -0.431 0.000 0.928 367 K CB -0.359 31.768 32.500 -0.621 0.000 0.716 367 K HN 0.807 nan 8.250 nan 0.000 0.446 368 Y N -1.037 119.242 120.300 -0.034 0.000 2.524 368 Y HA 0.245 4.795 4.550 -0.001 0.000 0.266 368 Y C 1.005 176.900 175.900 -0.008 0.000 1.180 368 Y CA -0.016 58.075 58.100 -0.014 0.000 1.244 368 Y CB 1.418 39.877 38.460 -0.003 0.000 1.125 368 Y HN 0.308 nan 8.280 nan 0.000 0.524 369 G N -0.002 108.836 108.800 0.063 0.000 2.134 369 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.209 369 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.209 369 G C -0.538 174.393 174.900 0.051 0.000 0.993 369 G CA -0.391 44.734 45.100 0.042 0.000 0.669 369 G HN 0.216 nan 8.290 nan 0.000 0.519 370 D N -0.224 120.210 120.400 0.056 0.000 2.423 370 D HA 0.468 5.107 4.640 -0.001 0.000 0.238 370 D C 0.402 176.724 176.300 0.037 0.000 1.142 370 D CA 0.258 54.289 54.000 0.051 0.000 0.884 370 D CB 1.698 42.527 40.800 0.048 0.000 1.199 370 D HN 0.387 nan 8.370 nan 0.000 0.438 371 L N 0.675 121.930 121.223 0.054 0.000 2.386 371 L HA 0.651 4.991 4.340 -0.001 0.000 0.271 371 L C -1.394 175.528 176.870 0.087 0.000 0.993 371 L CA -0.767 54.108 54.840 0.059 0.000 0.819 371 L CB 1.874 43.975 42.059 0.070 0.000 1.294 371 L HN 0.377 nan 8.230 nan 0.000 0.414 372 A N 3.625 126.488 122.820 0.071 0.000 2.310 372 A HA 0.684 5.003 4.320 -0.001 0.000 0.304 372 A C -0.469 177.167 177.584 0.086 0.000 1.231 372 A CA -0.262 51.824 52.037 0.083 0.000 0.799 372 A CB 0.297 19.306 19.000 0.016 0.000 1.162 372 A HN 0.829 nan 8.150 nan 0.000 0.486 373 N N 1.289 120.092 118.700 0.171 0.000 2.286 373 N HA -0.002 4.737 4.740 -0.001 0.000 0.245 373 N C 0.121 175.777 175.510 0.243 0.000 1.363 373 N CA 0.070 53.213 53.050 0.155 0.000 0.822 373 N CB -0.097 38.468 38.487 0.130 0.000 1.345 373 N HN 0.834 nan 8.380 nan 0.000 0.494 374 W N -0.193 121.133 121.300 0.044 0.000 2.520 374 W HA 0.536 5.195 4.660 -0.001 0.000 0.272 374 W C -0.750 175.810 176.519 0.068 0.000 0.984 374 W CA -0.352 57.030 57.345 0.063 0.000 1.314 374 W CB 0.280 29.782 29.460 0.069 0.000 0.945 374 W HN -0.029 nan 8.180 nan 0.000 0.596 375 M N 1.843 121.060 119.600 -0.639 0.000 2.421 375 M HA 0.579 5.058 4.480 -0.001 0.000 0.287 375 M C -2.388 173.670 176.300 -0.403 0.000 1.183 375 M CA -0.515 54.374 55.300 -0.685 0.000 0.916 375 M CB 2.674 34.406 32.600 -1.446 0.000 1.701 375 M HN -0.064 nan 8.290 nan 0.000 0.470 376 I N 5.129 125.547 120.570 -0.253 0.000 2.503 376 I HA 0.395 4.564 4.170 -0.001 0.000 0.282 376 I C -2.336 173.695 176.117 -0.143 0.000 1.059 376 I CA -1.816 59.382 61.300 -0.170 0.000 1.081 376 I CB 1.961 39.895 38.000 -0.111 0.000 1.210 376 I HN 0.467 nan 8.210 nan 0.000 0.450 377 P HA -0.041 nan 4.420 nan 0.000 0.259 377 P C 1.074 178.320 177.300 -0.090 0.000 1.163 377 P CA 1.219 64.264 63.100 -0.092 0.000 0.760 377 P CB 0.493 32.151 31.700 -0.070 0.000 0.762 378 G N 3.201 111.939 108.800 -0.103 0.000 2.328 378 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.256 378 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.256 378 G C 0.994 175.801 174.900 -0.154 0.000 1.014 378 G CA 0.849 45.858 45.100 -0.153 0.000 0.620 378 G HN 0.538 nan 8.290 nan 0.000 0.530 379 K N -1.148 119.181 120.400 -0.119 0.000 2.267 379 K HA 0.492 4.812 4.320 -0.001 0.000 0.213 379 K C 0.469 177.017 176.600 -0.087 0.000 1.060 379 K CA 0.361 56.589 56.287 -0.098 0.000 0.935 379 K CB 0.312 32.766 32.500 -0.076 0.000 1.096 379 K HN 0.287 nan 8.250 nan 0.000 0.468 380 L N 2.113 123.290 121.223 -0.078 0.000 2.277 380 L HA 0.212 4.551 4.340 -0.001 0.000 0.284 380 L C -0.356 176.492 176.870 -0.036 0.000 1.028 380 L CA -0.311 54.502 54.840 -0.045 0.000 0.835 380 L CB 1.617 43.657 42.059 -0.032 0.000 1.215 380 L HN 0.100 nan 8.230 nan 0.000 0.425 381 V N 1.086 121.005 119.914 0.008 0.000 2.991 381 V HA 0.366 4.486 4.120 -0.001 0.000 0.355 381 V C 1.037 177.246 176.094 0.192 0.000 1.384 381 V CA -0.162 62.198 62.300 0.100 0.000 1.171 381 V CB -0.301 31.538 31.823 0.028 0.000 1.190 381 V HN 0.728 nan 8.190 nan 0.000 0.540 382 K N 1.813 122.283 120.400 0.117 0.000 2.432 382 K HA 0.502 4.821 4.320 -0.001 0.000 0.196 382 K C 1.091 177.751 176.600 0.100 0.000 1.038 382 K CA 0.749 57.022 56.287 -0.024 0.000 0.986 382 K CB 0.175 32.626 32.500 -0.082 0.000 0.782 382 K HN 0.995 nan 8.250 nan 0.000 0.485 383 G N 1.313 110.332 108.800 0.365 0.000 2.603 383 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.686 383 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.686 383 G C 0.143 175.317 174.900 0.456 0.000 1.286 383 G CA -0.199 45.138 45.100 0.396 0.000 0.871 383 G HN 0.058 nan 8.290 nan 0.000 0.568 384 M N 0.470 120.135 119.600 0.109 0.000 2.441 384 M HA 0.398 4.878 4.480 -0.001 0.000 0.244 384 M C 1.511 177.805 176.300 -0.009 0.000 1.122 384 M CA 1.826 57.086 55.300 -0.067 0.000 1.041 384 M CB -1.073 31.132 32.600 -0.657 0.000 1.438 384 M HN 2.753 nan 8.290 nan 0.000 0.484 385 G N 1.866 110.702 108.800 0.060 0.000 2.634 385 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.309 385 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.309 385 G C 0.701 175.635 174.900 0.055 0.000 1.265 385 G CA 0.578 45.715 45.100 0.061 0.000 0.998 385 G HN 0.788 nan 8.290 nan 0.000 0.551 386 G N 0.089 108.981 108.800 0.154 0.000 2.985 386 G HA2 0.501 4.460 3.960 -0.001 0.000 0.209 386 G HA3 0.501 4.460 3.960 -0.001 0.000 0.209 386 G C 1.713 176.725 174.900 0.188 0.000 1.165 386 G CA 1.765 47.026 45.100 0.269 0.000 0.776 386 G HN 1.605 nan 8.290 nan 0.000 0.541 387 A N 0.955 123.826 122.820 0.085 0.000 1.902 387 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 387 A C 2.339 179.956 177.584 0.054 0.000 1.181 387 A CA 1.382 53.463 52.037 0.075 0.000 0.623 387 A CB -0.301 18.737 19.000 0.064 0.000 0.818 387 A HN 0.388 nan 8.150 nan 0.000 0.443 388 M N -0.502 119.088 119.600 -0.016 0.000 2.175 388 M HA -0.140 4.339 4.480 -0.001 0.000 0.264 388 M C 1.359 177.691 176.300 0.052 0.000 1.063 388 M CA 1.485 56.773 55.300 -0.020 0.000 1.119 388 M CB -0.533 31.998 32.600 -0.116 0.000 1.377 388 M HN 0.409 nan 8.290 nan 0.000 0.415 389 D N 0.513 120.967 120.400 0.091 0.000 2.149 389 D HA -0.080 4.560 4.640 -0.001 0.000 0.201 389 D C 2.052 178.469 176.300 0.195 0.000 0.972 389 D CA 1.196 55.303 54.000 0.177 0.000 0.835 389 D CB -0.084 40.899 40.800 0.305 0.000 0.966 389 D HN 0.361 nan 8.370 nan 0.000 0.476 390 L N 0.989 122.324 121.223 0.187 0.000 2.191 390 L HA -0.114 4.225 4.340 -0.001 0.000 0.212 390 L C 2.218 179.149 176.870 0.103 0.000 1.103 390 L CA 0.673 55.597 54.840 0.140 0.000 0.769 390 L CB -0.056 42.080 42.059 0.127 0.000 0.908 390 L HN 0.009 nan 8.230 nan 0.000 0.438 391 V N -4.805 115.166 119.914 0.095 0.000 3.444 391 V HA 0.137 4.256 4.120 -0.001 0.000 0.308 391 V C 1.849 177.990 176.094 0.078 0.000 1.371 391 V CA 0.570 62.917 62.300 0.079 0.000 1.141 391 V CB 0.025 31.892 31.823 0.074 0.000 1.037 391 V HN 0.374 nan 8.190 nan 0.000 0.433 392 S N 0.688 116.442 115.700 0.090 0.000 2.501 392 S HA 0.094 4.563 4.470 -0.001 0.000 0.220 392 S C 1.170 175.815 174.600 0.075 0.000 0.997 392 S CA 0.488 58.742 58.200 0.089 0.000 0.919 392 S CB -0.410 62.860 63.200 0.117 0.000 0.778 392 S HN 1.012 nan 8.310 nan 0.000 0.523 393 S N 0.698 116.440 115.700 0.071 0.000 2.457 393 S HA 0.768 5.237 4.470 -0.001 0.000 0.289 393 S C 0.967 175.589 174.600 0.036 0.000 1.163 393 S CA -0.331 57.902 58.200 0.054 0.000 1.078 393 S CB 1.466 64.691 63.200 0.042 0.000 0.987 393 S HN 0.441 nan 8.310 nan 0.000 0.482 394 A N 3.730 126.567 122.820 0.027 0.000 2.070 394 A HA -0.047 4.272 4.320 -0.001 0.000 0.220 394 A C 1.962 179.555 177.584 0.015 0.000 1.159 394 A CA 1.140 53.189 52.037 0.020 0.000 0.656 394 A CB -0.508 18.501 19.000 0.015 0.000 0.800 394 A HN 0.903 nan 8.150 nan 0.000 0.453 395 K N -0.606 119.797 120.400 0.004 0.000 2.366 395 K HA 0.020 4.339 4.320 -0.001 0.000 0.198 395 K C -0.146 176.455 176.600 0.002 0.000 1.044 395 K CA 0.677 56.959 56.287 -0.009 0.000 0.973 395 K CB 0.049 32.522 32.500 -0.044 0.000 0.767 395 K HN 0.323 nan 8.250 nan 0.000 0.475 396 T N 1.651 116.214 114.554 0.014 0.000 2.829 396 T HA 0.134 4.483 4.350 -0.001 0.000 0.282 396 T C -0.439 174.280 174.700 0.032 0.000 0.990 396 T CA -0.594 61.523 62.100 0.028 0.000 1.028 396 T CB 1.677 70.567 68.868 0.037 0.000 0.951 396 T HN 0.004 nan 8.240 nan 0.000 0.460 397 K N 2.934 123.354 120.400 0.033 0.000 2.339 397 K HA 0.348 4.668 4.320 -0.001 0.000 0.286 397 K C -0.953 175.663 176.600 0.027 0.000 1.050 397 K CA -0.357 55.946 56.287 0.027 0.000 0.956 397 K CB 0.314 32.826 32.500 0.020 0.000 0.990 397 K HN 0.308 nan 8.250 nan 0.000 0.475 398 V N 5.630 125.560 119.914 0.027 0.000 2.347 398 V HA 0.256 4.375 4.120 -0.001 0.000 0.280 398 V C -0.600 175.504 176.094 0.017 0.000 1.021 398 V CA -0.855 61.462 62.300 0.028 0.000 0.847 398 V CB 1.542 33.388 31.823 0.038 0.000 0.990 398 V HN 0.517 nan 8.190 nan 0.000 0.444 399 V N 6.017 125.934 119.914 0.006 0.000 2.409 399 V HA 0.413 4.532 4.120 -0.001 0.000 0.291 399 V C -0.061 176.031 176.094 -0.003 0.000 1.020 399 V CA -0.652 61.643 62.300 -0.009 0.000 0.848 399 V CB 1.948 33.745 31.823 -0.043 0.000 0.990 399 V HN 0.580 nan 8.190 nan 0.000 0.430 400 V N 4.677 124.593 119.914 0.002 0.000 2.465 400 V HA 0.451 4.571 4.120 -0.001 0.000 0.279 400 V C 0.563 176.654 176.094 -0.005 0.000 1.045 400 V CA -0.208 62.094 62.300 0.004 0.000 0.938 400 V CB 1.930 33.755 31.823 0.002 0.000 0.986 400 V HN 1.026 nan 8.190 nan 0.000 0.467 401 T N 4.364 118.916 114.554 -0.003 0.000 2.772 401 T HA 0.826 5.175 4.350 -0.001 0.000 0.288 401 T C -0.665 174.032 174.700 -0.004 0.000 0.994 401 T CA -0.688 61.407 62.100 -0.009 0.000 0.951 401 T CB 1.096 69.959 68.868 -0.008 0.000 0.933 401 T HN 0.764 nan 8.240 nan 0.000 0.447 402 M N 0.407 119.999 119.600 -0.012 0.000 2.643 402 M HA 0.582 5.061 4.480 -0.001 0.000 0.276 402 M C -1.373 174.919 176.300 -0.013 0.000 1.200 402 M CA -0.967 54.326 55.300 -0.012 0.000 0.863 402 M CB 1.696 34.285 32.600 -0.018 0.000 1.711 402 M HN 0.345 nan 8.290 nan 0.000 0.492 403 E N 1.106 121.303 120.200 -0.005 0.000 2.414 403 E HA -0.010 4.339 4.350 -0.001 0.000 0.263 403 E C 0.076 176.697 176.600 0.035 0.000 1.000 403 E CA 0.326 56.733 56.400 0.011 0.000 0.914 403 E CB 0.847 30.552 29.700 0.008 0.000 0.948 403 E HN 0.775 nan 8.360 nan 0.000 0.444 404 H N 1.724 120.787 119.070 -0.012 0.000 2.352 404 H HA -0.062 4.494 4.556 -0.001 0.000 0.299 404 H C -0.017 175.330 175.328 0.030 0.000 1.097 404 H CA 1.489 57.547 56.048 0.016 0.000 1.311 404 H CB 0.503 30.275 29.762 0.017 0.000 1.377 404 H HN 0.200 nan 8.280 nan 0.000 0.504 405 S N -1.290 114.515 115.700 0.175 0.000 2.599 405 S HA 0.698 5.167 4.470 -0.001 0.000 0.287 405 S C -0.787 173.846 174.600 0.055 0.000 1.105 405 S CA -0.518 57.758 58.200 0.127 0.000 0.899 405 S CB 2.100 65.388 63.200 0.146 0.000 1.100 405 S HN 0.542 nan 8.310 nan 0.000 0.482 406 A N 1.343 124.182 122.820 0.031 0.000 2.239 406 A HA 0.625 4.944 4.320 -0.001 0.000 0.303 406 A C 0.166 177.749 177.584 -0.002 0.000 1.114 406 A CA -0.548 51.494 52.037 0.008 0.000 0.871 406 A CB 0.097 19.097 19.000 -0.001 0.000 1.201 406 A HN 0.784 nan 8.150 nan 0.000 0.506 407 K N -0.533 119.862 120.400 -0.008 0.000 2.561 407 K HA 0.201 4.520 4.320 -0.001 0.000 0.280 407 K C 1.049 177.635 176.600 -0.023 0.000 0.975 407 K CA 1.341 57.620 56.287 -0.014 0.000 1.024 407 K CB -0.280 32.211 32.500 -0.015 0.000 0.883 407 K HN 1.788 nan 8.250 nan 0.000 0.496 408 G N 3.302 112.088 108.800 -0.024 0.000 2.179 408 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.257 408 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.257 408 G C 0.293 175.164 174.900 -0.049 0.000 1.010 408 G CA 0.789 45.869 45.100 -0.033 0.000 0.736 408 G HN 1.075 nan 8.290 nan 0.000 0.513 409 N N -2.242 116.434 118.700 -0.040 0.000 2.714 409 N HA -0.117 4.623 4.740 -0.001 0.000 0.250 409 N C 0.719 176.156 175.510 -0.122 0.000 1.117 409 N CA 2.071 55.089 53.050 -0.052 0.000 0.719 409 N CB -1.250 37.205 38.487 -0.054 0.000 1.081 409 N HN 1.979 nan 8.380 nan 0.000 0.557 410 A N 0.388 123.151 122.820 -0.095 0.000 2.492 410 A HA 0.268 4.587 4.320 -0.001 0.000 0.254 410 A C -0.029 177.521 177.584 -0.057 0.000 1.091 410 A CA -0.014 51.951 52.037 -0.120 0.000 0.768 410 A CB -0.042 18.923 19.000 -0.058 0.000 1.028 410 A HN 0.533 nan 8.150 nan 0.000 0.498 411 H N 1.447 120.529 119.070 0.019 0.000 2.964 411 H HA 0.064 4.619 4.556 -0.001 0.000 0.328 411 H C 0.884 176.205 175.328 -0.011 0.000 1.030 411 H CA 0.464 56.523 56.048 0.018 0.000 1.445 411 H CB 0.889 30.659 29.762 0.013 0.000 1.449 411 H HN 0.754 nan 8.280 nan 0.000 0.581 412 K N 2.571 123.033 120.400 0.103 0.000 2.350 412 K HA 0.206 4.526 4.320 -0.001 0.000 0.196 412 K C 0.001 176.569 176.600 -0.053 0.000 1.084 412 K CA 0.323 56.615 56.287 0.007 0.000 0.967 412 K CB 0.805 33.291 32.500 -0.023 0.000 0.950 412 K HN 0.457 nan 8.250 nan 0.000 0.512 413 I N 3.393 123.901 120.570 -0.104 0.000 2.331 413 I HA 0.277 4.446 4.170 -0.001 0.000 0.292 413 I C -0.075 175.935 176.117 -0.179 0.000 0.998 413 I CA -0.388 60.796 61.300 -0.194 0.000 1.267 413 I CB 0.938 38.734 38.000 -0.339 0.000 1.386 413 I HN 0.113 nan 8.210 nan 0.000 0.476 414 M N 2.600 122.099 119.600 -0.169 0.000 3.084 414 M HA 0.441 4.920 4.480 -0.001 0.000 0.273 414 M C 0.003 176.221 176.300 -0.137 0.000 1.242 414 M CA -0.701 54.505 55.300 -0.156 0.000 0.819 414 M CB 1.615 34.167 32.600 -0.079 0.000 1.625 414 M HN 0.177 nan 8.290 nan 0.000 0.493 415 E N 1.235 121.370 120.200 -0.108 0.000 2.058 415 E HA 0.055 4.404 4.350 -0.001 0.000 0.194 415 E C -0.369 176.202 176.600 -0.048 0.000 0.997 415 E CA 1.783 58.130 56.400 -0.087 0.000 0.801 415 E CB 0.431 30.104 29.700 -0.046 0.000 0.746 415 E HN 0.382 nan 8.360 nan 0.000 0.450 416 K N -0.799 119.584 120.400 -0.027 0.000 2.502 416 K HA 0.294 4.613 4.320 -0.001 0.000 0.257 416 K C -1.077 175.517 176.600 -0.011 0.000 0.938 416 K CA -0.770 55.514 56.287 -0.005 0.000 0.819 416 K CB 1.843 34.348 32.500 0.009 0.000 1.333 416 K HN 0.016 nan 8.250 nan 0.000 0.434 417 C N 1.464 120.760 119.300 -0.006 0.000 2.652 417 C HA 0.122 4.582 4.460 -0.001 0.000 0.412 417 C C 2.077 177.062 174.990 -0.008 0.000 1.294 417 C CA -0.085 58.928 59.018 -0.008 0.000 2.127 417 C CB 0.045 27.785 27.740 -0.001 0.000 2.691 417 C HN 0.906 nan 8.230 nan 0.000 0.615 418 T N -0.540 114.006 114.554 -0.014 0.000 2.990 418 T HA 0.251 4.600 4.350 -0.001 0.000 0.250 418 T C 0.275 174.954 174.700 -0.036 0.000 1.041 418 T CA 0.189 62.277 62.100 -0.019 0.000 1.010 418 T CB -0.077 68.783 68.868 -0.014 0.000 1.003 418 T HN 0.514 nan 8.240 nan 0.000 0.499 419 L N 1.593 122.788 121.223 -0.046 0.000 2.375 419 L HA 0.528 4.867 4.340 -0.001 0.000 0.268 419 L C -2.393 174.427 176.870 -0.084 0.000 1.058 419 L CA -2.958 51.831 54.840 -0.083 0.000 0.803 419 L CB 0.784 42.783 42.059 -0.099 0.000 1.212 419 L HN -0.119 nan 8.230 nan 0.000 0.451 420 P HA 0.020 nan 4.420 nan 0.000 0.264 420 P C -0.785 176.542 177.300 0.044 0.000 1.183 420 P CA 0.180 63.224 63.100 -0.093 0.000 0.763 420 P CB 0.283 31.807 31.700 -0.294 0.000 0.807 421 L N 2.605 123.926 121.223 0.164 0.000 2.397 421 L HA 0.112 4.451 4.340 -0.001 0.000 0.271 421 L C 1.587 178.696 176.870 0.398 0.000 1.148 421 L CA 0.072 55.034 54.840 0.204 0.000 0.825 421 L CB 0.368 42.495 42.059 0.112 0.000 1.117 421 L HN 0.433 nan 8.230 nan 0.000 0.456 422 T N 0.727 115.479 114.554 0.330 0.000 2.937 422 T HA 0.146 4.495 4.350 -0.001 0.000 0.260 422 T C 0.599 175.363 174.700 0.106 0.000 1.051 422 T CA 0.757 62.997 62.100 0.233 0.000 1.141 422 T CB 0.294 69.297 68.868 0.225 0.000 0.879 422 T HN 0.827 nan 8.240 nan 0.000 0.459 423 G N 0.158 109.020 108.800 0.103 0.000 2.576 423 G HA2 0.563 4.522 3.960 -0.001 0.000 0.290 423 G HA3 0.563 4.522 3.960 -0.001 0.000 0.290 423 G C -1.986 172.956 174.900 0.071 0.000 1.442 423 G CA -0.889 44.258 45.100 0.078 0.000 0.792 423 G HN 0.010 nan 8.290 nan 0.000 0.491 424 K N 0.707 121.151 120.400 0.074 0.000 2.206 424 K HA 0.404 4.723 4.320 -0.001 0.000 0.264 424 K C -0.154 176.501 176.600 0.092 0.000 0.967 424 K CA -0.470 55.860 56.287 0.072 0.000 0.844 424 K CB 1.495 34.028 32.500 0.055 0.000 1.099 424 K HN 0.653 nan 8.250 nan 0.000 0.441 425 Q N 0.370 120.223 119.800 0.088 0.000 2.439 425 Q HA -0.243 4.097 4.340 -0.001 0.000 0.325 425 Q C 0.454 176.499 176.000 0.075 0.000 1.372 425 Q CA 0.537 56.395 55.803 0.091 0.000 0.909 425 Q CB -1.921 26.869 28.738 0.087 0.000 1.167 425 Q HN 0.902 nan 8.270 nan 0.000 0.418 426 C N -4.881 114.459 119.300 0.068 0.000 3.364 426 C HA 0.456 4.916 4.460 -0.001 0.000 0.340 426 C C 0.917 175.938 174.990 0.051 0.000 1.336 426 C CA -0.370 58.684 59.018 0.060 0.000 1.778 426 C CB -0.037 27.742 27.740 0.066 0.000 2.398 426 C HN 0.277 nan 8.230 nan 0.000 0.667 427 V N 3.544 123.486 119.914 0.046 0.000 2.465 427 V HA 0.262 4.381 4.120 -0.001 0.000 0.279 427 V C 0.331 176.446 176.094 0.036 0.000 1.045 427 V CA 0.481 62.803 62.300 0.035 0.000 0.938 427 V CB 1.092 32.929 31.823 0.022 0.000 0.986 427 V HN 0.456 nan 8.190 nan 0.000 0.467 428 N N 2.703 121.422 118.700 0.033 0.000 2.414 428 N HA 0.189 4.928 4.740 -0.001 0.000 0.177 428 N C 0.531 176.063 175.510 0.036 0.000 1.062 428 N CA 0.011 53.082 53.050 0.035 0.000 0.890 428 N CB 0.488 38.993 38.487 0.030 0.000 1.070 428 N HN 0.626 nan 8.380 nan 0.000 0.454 429 R N 0.567 121.085 120.500 0.030 0.000 2.626 429 R HA 0.471 4.810 4.340 -0.001 0.000 0.274 429 R C -2.015 174.306 176.300 0.035 0.000 1.031 429 R CA -0.481 55.642 56.100 0.038 0.000 0.898 429 R CB 1.224 31.535 30.300 0.018 0.000 1.222 429 R HN -0.084 nan 8.270 nan 0.000 0.455 430 I N 5.170 125.781 120.570 0.069 0.000 2.406 430 I HA 0.413 4.583 4.170 -0.001 0.000 0.290 430 I C -0.401 175.754 176.117 0.064 0.000 0.999 430 I CA -0.827 60.511 61.300 0.063 0.000 1.124 430 I CB 2.053 40.103 38.000 0.085 0.000 1.289 430 I HN 0.450 nan 8.210 nan 0.000 0.441 431 I N 5.573 126.154 120.570 0.019 0.000 2.382 431 I HA 0.338 4.507 4.170 -0.001 0.000 0.286 431 I C 0.363 176.480 176.117 -0.000 0.000 1.002 431 I CA -0.229 61.071 61.300 -0.000 0.000 1.135 431 I CB 1.834 39.817 38.000 -0.028 0.000 1.288 431 I HN 0.653 nan 8.210 nan 0.000 0.448 432 T N 1.039 115.605 114.554 0.020 0.000 2.841 432 T HA 0.266 4.615 4.350 -0.001 0.000 0.276 432 T C 1.017 175.704 174.700 -0.022 0.000 1.003 432 T CA -0.614 61.505 62.100 0.031 0.000 0.995 432 T CB 1.610 70.568 68.868 0.151 0.000 1.260 432 T HN 0.638 nan 8.240 nan 0.000 0.581 433 E N 0.478 120.640 120.200 -0.064 0.000 2.338 433 E HA -0.104 4.245 4.350 -0.001 0.000 0.197 433 E C 1.226 177.671 176.600 -0.259 0.000 1.007 433 E CA 0.999 57.260 56.400 -0.232 0.000 0.849 433 E CB -0.098 29.437 29.700 -0.275 0.000 0.774 433 E HN 0.754 nan 8.360 nan 0.000 0.506 434 K N -0.004 120.353 120.400 -0.071 0.000 2.350 434 K HA 0.353 4.672 4.320 -0.001 0.000 0.196 434 K C 0.648 177.257 176.600 0.015 0.000 1.084 434 K CA 0.643 56.908 56.287 -0.037 0.000 0.967 434 K CB 1.074 33.475 32.500 -0.166 0.000 0.950 434 K HN 0.133 nan 8.250 nan 0.000 0.512 435 A N 0.753 123.576 122.820 0.006 0.000 2.606 435 A HA 0.598 4.917 4.320 -0.001 0.000 0.293 435 A C -1.453 176.037 177.584 -0.157 0.000 1.082 435 A CA -0.622 51.323 52.037 -0.154 0.000 0.685 435 A CB 1.799 20.584 19.000 -0.358 0.000 1.284 435 A HN -0.100 nan 8.150 nan 0.000 0.408 436 V N 1.107 120.861 119.914 -0.265 0.000 2.444 436 V HA 0.550 4.669 4.120 -0.001 0.000 0.294 436 V C -1.211 174.687 176.094 -0.327 0.000 1.022 436 V CA -0.184 62.004 62.300 -0.186 0.000 0.850 436 V CB 0.934 32.703 31.823 -0.090 0.000 0.992 436 V HN 0.680 nan 8.190 nan 0.000 0.426 437 F N 1.912 121.826 119.950 -0.060 0.000 2.469 437 F HA 0.511 5.038 4.527 -0.001 0.000 0.332 437 F C 0.524 176.302 175.800 -0.036 0.000 1.103 437 F CA -0.621 57.341 58.000 -0.064 0.000 0.979 437 F CB 1.494 40.435 39.000 -0.099 0.000 1.137 437 F HN 0.400 nan 8.300 nan 0.000 0.463 438 D N 1.865 122.371 120.400 0.177 0.000 2.304 438 D HA 0.433 5.072 4.640 -0.001 0.000 0.247 438 D C -0.678 175.694 176.300 0.121 0.000 1.089 438 D CA 0.116 54.186 54.000 0.116 0.000 0.910 438 D CB 1.921 42.770 40.800 0.083 0.000 1.199 438 D HN 0.078 nan 8.370 nan 0.000 0.426 439 V N 2.394 122.355 119.914 0.077 0.000 2.540 439 V HA 0.316 4.436 4.120 -0.001 0.000 0.302 439 V C -0.165 175.970 176.094 0.068 0.000 1.035 439 V CA -0.785 61.546 62.300 0.052 0.000 0.873 439 V CB 2.165 34.002 31.823 0.025 0.000 0.992 439 V HN 0.464 nan 8.190 nan 0.000 0.428 440 D N 3.230 123.684 120.400 0.089 0.000 2.646 440 D HA 0.302 4.941 4.640 -0.001 0.000 0.245 440 D C 0.985 177.393 176.300 0.180 0.000 1.099 440 D CA -0.675 53.391 54.000 0.111 0.000 0.849 440 D CB 2.377 43.240 40.800 0.104 0.000 1.448 440 D HN 0.655 nan 8.370 nan 0.000 0.489 441 R N 2.407 122.991 120.500 0.139 0.000 2.193 441 R HA -0.047 4.292 4.340 -0.001 0.000 0.229 441 R C 0.901 177.249 176.300 0.078 0.000 1.110 441 R CA 0.858 57.041 56.100 0.139 0.000 0.988 441 R CB 0.198 30.534 30.300 0.061 0.000 0.871 441 R HN 0.151 nan 8.270 nan 0.000 0.458 442 K N 0.731 121.183 120.400 0.088 0.000 2.344 442 K HA 0.140 4.459 4.320 -0.001 0.000 0.200 442 K C 1.536 178.239 176.600 0.172 0.000 1.132 442 K CA 0.664 56.957 56.287 0.010 0.000 0.935 442 K CB 0.422 32.921 32.500 -0.001 0.000 1.089 442 K HN 0.159 nan 8.250 nan 0.000 0.496 443 K N 0.443 120.966 120.400 0.206 0.000 2.356 443 K HA 0.100 4.419 4.320 -0.001 0.000 0.195 443 K C 0.878 177.604 176.600 0.210 0.000 1.037 443 K CA 0.548 56.950 56.287 0.192 0.000 1.014 443 K CB 0.565 33.135 32.500 0.116 0.000 0.815 443 K HN 0.269 nan 8.250 nan 0.000 0.507 444 G N 1.577 110.515 108.800 0.229 0.000 2.488 444 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.237 444 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.237 444 G C -0.687 174.202 174.900 -0.017 0.000 1.209 444 G CA -0.717 44.349 45.100 -0.056 0.000 0.929 444 G HN 0.070 nan 8.290 nan 0.000 0.578 445 L N 0.863 122.054 121.223 -0.053 0.000 2.334 445 L HA 0.637 4.976 4.340 -0.001 0.000 0.277 445 L C 0.177 177.173 176.870 0.209 0.000 1.075 445 L CA -0.447 54.409 54.840 0.027 0.000 0.804 445 L CB 1.753 43.716 42.059 -0.161 0.000 1.174 445 L HN 0.612 nan 8.230 nan 0.000 0.438 446 T N 3.483 118.206 114.554 0.283 0.000 2.890 446 T HA 0.306 4.655 4.350 -0.001 0.000 0.295 446 T C -0.494 174.380 174.700 0.290 0.000 0.993 446 T CA -0.457 61.810 62.100 0.278 0.000 0.979 446 T CB 1.472 70.436 68.868 0.159 0.000 0.967 446 T HN 0.242 nan 8.240 nan 0.000 0.441 447 L N 5.658 127.033 121.223 0.254 0.000 2.418 447 L HA 0.386 4.725 4.340 -0.001 0.000 0.274 447 L C 0.820 177.646 176.870 -0.073 0.000 1.135 447 L CA 0.348 55.102 54.840 -0.145 0.000 0.870 447 L CB -0.090 41.873 42.059 -0.161 0.000 1.154 447 L HN 0.778 nan 8.230 nan 0.000 0.462 448 I N 0.068 120.558 120.570 -0.133 0.000 4.312 448 I HA 0.440 4.609 4.170 -0.001 0.000 0.324 448 I C -0.002 176.068 176.117 -0.078 0.000 1.298 448 I CA -0.104 61.159 61.300 -0.063 0.000 1.231 448 I CB 0.186 38.170 38.000 -0.027 0.000 1.152 448 I HN 0.491 nan 8.210 nan 0.000 0.421 449 E N 1.620 121.743 120.200 -0.129 0.000 2.383 449 E HA 0.665 5.015 4.350 -0.001 0.000 0.275 449 E C -1.831 174.696 176.600 -0.121 0.000 0.918 449 E CA -0.905 55.439 56.400 -0.094 0.000 0.764 449 E CB 3.324 32.991 29.700 -0.055 0.000 1.252 449 E HN 0.063 nan 8.360 nan 0.000 0.449 450 L N 1.509 122.697 121.223 -0.060 0.000 2.464 450 L HA 0.380 4.719 4.340 -0.001 0.000 0.266 450 L C -1.381 175.519 176.870 0.051 0.000 0.965 450 L CA -0.428 54.394 54.840 -0.029 0.000 0.833 450 L CB 1.561 43.593 42.059 -0.046 0.000 1.296 450 L HN 0.740 nan 8.230 nan 0.000 0.405 451 W N 5.730 126.975 121.300 -0.092 0.000 2.295 451 W HA 0.127 4.786 4.660 -0.001 0.000 0.335 451 W C 0.241 176.727 176.519 -0.055 0.000 1.351 451 W CA -0.074 57.230 57.345 -0.068 0.000 1.273 451 W CB 0.734 30.156 29.460 -0.064 0.000 1.214 451 W HN 0.845 nan 8.180 nan 0.000 0.563 452 E N 4.340 124.019 120.200 -0.868 0.000 2.729 452 E HA 0.174 4.523 4.350 -0.001 0.000 0.246 452 E C 0.880 177.206 176.600 -0.457 0.000 0.984 452 E CA 0.913 56.921 56.400 -0.654 0.000 0.951 452 E CB 0.134 29.386 29.700 -0.746 0.000 0.914 452 E HN 0.752 nan 8.360 nan 0.000 0.509 453 G N 3.257 111.935 108.800 -0.204 0.000 2.284 453 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 453 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 453 G C 0.263 175.156 174.900 -0.011 0.000 1.009 453 G CA -0.008 45.040 45.100 -0.087 0.000 0.625 453 G HN 0.470 nan 8.290 nan 0.000 0.501 454 L N 1.690 122.927 121.223 0.024 0.000 2.466 454 L HA 0.615 4.954 4.340 -0.001 0.000 0.257 454 L C 1.293 178.176 176.870 0.021 0.000 1.189 454 L CA 0.246 55.117 54.840 0.051 0.000 0.813 454 L CB 1.055 43.172 42.059 0.096 0.000 1.118 454 L HN 0.457 nan 8.230 nan 0.000 0.471 455 T N -2.623 111.947 114.554 0.028 0.000 2.932 455 T HA 0.325 4.675 4.350 -0.001 0.000 0.289 455 T C 0.965 175.698 174.700 0.054 0.000 1.039 455 T CA -0.860 61.259 62.100 0.031 0.000 1.024 455 T CB 1.753 70.639 68.868 0.030 0.000 1.090 455 T HN 0.200 nan 8.240 nan 0.000 0.496 456 V N 1.461 121.419 119.914 0.074 0.000 2.380 456 V HA -0.162 3.957 4.120 -0.001 0.000 0.251 456 V C 2.465 178.666 176.094 0.178 0.000 1.063 456 V CA 2.522 64.911 62.300 0.148 0.000 1.055 456 V CB -0.984 30.928 31.823 0.148 0.000 0.657 456 V HN 1.076 nan 8.190 nan 0.000 0.455 457 D N -0.364 120.100 120.400 0.107 0.000 2.178 457 D HA -0.174 4.465 4.640 -0.001 0.000 0.202 457 D C 1.815 178.174 176.300 0.099 0.000 0.974 457 D CA 1.073 55.131 54.000 0.097 0.000 0.841 457 D CB -0.092 40.742 40.800 0.056 0.000 0.953 457 D HN 0.421 nan 8.370 nan 0.000 0.478 458 D N -0.009 120.434 120.400 0.071 0.000 2.123 458 D HA -0.148 4.492 4.640 -0.001 0.000 0.196 458 D C 2.033 178.356 176.300 0.037 0.000 0.992 458 D CA 0.639 54.664 54.000 0.042 0.000 0.833 458 D CB -0.057 40.754 40.800 0.019 0.000 0.954 458 D HN 0.314 nan 8.370 nan 0.000 0.455 459 I N 1.049 121.660 120.570 0.069 0.000 2.252 459 I HA -0.163 4.006 4.170 -0.001 0.000 0.245 459 I C 2.315 178.596 176.117 0.272 0.000 1.102 459 I CA 0.807 62.150 61.300 0.072 0.000 1.385 459 I CB -0.965 37.050 38.000 0.024 0.000 1.064 459 I HN 0.004 nan 8.210 nan 0.000 0.414 460 K N 1.330 121.964 120.400 0.390 0.000 2.063 460 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 460 K C 2.027 178.773 176.600 0.243 0.000 1.048 460 K CA 1.501 58.011 56.287 0.372 0.000 0.928 460 K CB 0.040 32.657 32.500 0.195 0.000 0.713 460 K HN 0.270 nan 8.250 nan 0.000 0.442 461 K N -0.429 120.080 120.400 0.181 0.000 2.283 461 K HA -0.020 4.300 4.320 -0.001 0.000 0.202 461 K C 1.464 178.202 176.600 0.230 0.000 1.048 461 K CA 0.921 57.308 56.287 0.165 0.000 0.948 461 K CB 0.190 32.750 32.500 0.099 0.000 0.742 461 K HN -0.019 nan 8.250 nan 0.000 0.458 462 S N 0.194 116.024 115.700 0.217 0.000 2.554 462 S HA 0.078 4.547 4.470 -0.001 0.000 0.226 462 S C -0.135 174.737 174.600 0.453 0.000 0.980 462 S CA -0.127 58.238 58.200 0.274 0.000 0.939 462 S CB 0.881 64.106 63.200 0.041 0.000 0.832 462 S HN 0.114 nan 8.310 nan 0.000 0.486 463 T N 0.739 115.469 114.554 0.293 0.000 2.812 463 T HA 0.444 4.793 4.350 -0.001 0.000 0.282 463 T C 0.914 175.357 174.700 -0.428 0.000 0.990 463 T CA -0.631 61.512 62.100 0.071 0.000 0.960 463 T CB 1.685 70.671 68.868 0.196 0.000 0.948 463 T HN 0.147 nan 8.240 nan 0.000 0.438 464 G N 1.002 109.302 108.800 -0.834 0.000 3.262 464 G HA2 0.356 4.315 3.960 -0.001 0.000 0.228 464 G HA3 0.356 4.315 3.960 -0.001 0.000 0.228 464 G C 0.568 175.270 174.900 -0.330 0.000 1.197 464 G CA -0.098 44.429 45.100 -0.955 0.000 0.819 464 G HN 0.991 nan 8.290 nan 0.000 0.531 465 C N -2.209 116.971 119.300 -0.199 0.000 3.332 465 C HA 0.727 5.186 4.460 -0.001 0.000 0.329 465 C C -0.727 174.257 174.990 -0.011 0.000 1.434 465 C CA -1.423 57.529 59.018 -0.111 0.000 1.314 465 C CB 1.375 29.024 27.740 -0.152 0.000 1.664 465 C HN 0.128 nan 8.230 nan 0.000 0.457 466 D N -0.397 119.976 120.400 -0.045 0.000 2.387 466 D HA 0.796 5.435 4.640 -0.001 0.000 0.251 466 D C -0.665 175.665 176.300 0.050 0.000 1.141 466 D CA 0.052 54.002 54.000 -0.084 0.000 0.987 466 D CB 0.837 41.547 40.800 -0.149 0.000 1.116 466 D HN 0.665 nan 8.370 nan 0.000 0.491 467 F N -1.130 118.813 119.950 -0.011 0.000 2.665 467 F HA 0.703 5.229 4.527 -0.001 0.000 0.308 467 F C -0.837 175.007 175.800 0.073 0.000 1.112 467 F CA -1.493 56.529 58.000 0.037 0.000 0.972 467 F CB 0.469 39.564 39.000 0.159 0.000 1.295 467 F HN 0.328 nan 8.300 nan 0.000 0.440 468 A N 1.424 124.395 122.820 0.251 0.000 2.332 468 A HA 0.713 5.032 4.320 -0.001 0.000 0.258 468 A C -0.792 176.963 177.584 0.286 0.000 1.087 468 A CA -0.580 51.558 52.037 0.168 0.000 0.802 468 A CB 0.744 19.820 19.000 0.126 0.000 1.042 468 A HN 0.849 nan 8.150 nan 0.000 0.489 469 V N 1.472 121.490 119.914 0.174 0.000 2.448 469 V HA 0.388 4.507 4.120 -0.001 0.000 0.295 469 V C 0.671 176.823 176.094 0.096 0.000 1.025 469 V CA -0.507 61.895 62.300 0.170 0.000 0.859 469 V CB 1.466 33.374 31.823 0.142 0.000 0.988 469 V HN 0.990 nan 8.190 nan 0.000 0.431 470 S N 5.736 121.483 115.700 0.078 0.000 2.533 470 S HA 0.191 4.660 4.470 -0.001 0.000 0.282 470 S C -1.182 173.438 174.600 0.033 0.000 1.304 470 S CA -0.727 57.502 58.200 0.049 0.000 1.063 470 S CB 0.994 64.213 63.200 0.033 0.000 0.881 470 S HN 0.643 nan 8.310 nan 0.000 0.493 471 P HA -0.013 nan 4.420 nan 0.000 0.222 471 P C 0.172 177.479 177.300 0.010 0.000 1.147 471 P CA 1.137 64.247 63.100 0.018 0.000 0.790 471 P CB 0.107 31.816 31.700 0.016 0.000 0.780 472 K N -0.609 119.796 120.400 0.010 0.000 2.577 472 K HA 0.138 4.457 4.320 -0.001 0.000 0.210 472 K C 0.157 176.755 176.600 -0.004 0.000 1.048 472 K CA -0.705 55.583 56.287 0.002 0.000 1.188 472 K CB -0.386 32.116 32.500 0.003 0.000 0.910 472 K HN 0.052 nan 8.250 nan 0.000 0.483 473 L N 2.316 123.538 121.223 -0.002 0.000 2.559 473 L HA 0.019 4.359 4.340 -0.001 0.000 0.282 473 L C -0.130 176.725 176.870 -0.023 0.000 1.232 473 L CA 0.801 55.634 54.840 -0.013 0.000 0.885 473 L CB 0.164 42.219 42.059 -0.006 0.000 1.131 473 L HN 0.227 nan 8.230 nan 0.000 0.498 474 I N 1.603 122.152 120.570 -0.034 0.000 3.074 474 I HA 0.663 4.832 4.170 -0.001 0.000 0.310 474 I C -2.598 173.485 176.117 -0.057 0.000 1.153 474 I CA -2.682 58.592 61.300 -0.043 0.000 0.993 474 I CB 1.807 39.785 38.000 -0.038 0.000 1.237 474 I HN 0.381 nan 8.210 nan 0.000 0.443 475 P HA 0.101 nan 4.420 nan 0.000 0.267 475 P C -0.520 176.733 177.300 -0.077 0.000 1.200 475 P CA -0.168 62.864 63.100 -0.113 0.000 0.772 475 P CB 0.435 32.036 31.700 -0.163 0.000 0.855 476 M N 2.889 122.465 119.600 -0.040 0.000 2.246 476 M HA -0.001 4.478 4.480 -0.001 0.000 0.350 476 M C 0.134 176.461 176.300 0.045 0.000 1.406 476 M CA 0.381 55.718 55.300 0.061 0.000 1.089 476 M CB 0.033 32.790 32.600 0.262 0.000 1.782 476 M HN 0.345 nan 8.290 nan 0.000 0.457 477 Q N 3.467 123.283 119.800 0.028 0.000 2.417 477 Q HA 0.195 4.535 4.340 -0.001 0.000 0.241 477 Q C -0.897 175.131 176.000 0.047 0.000 1.008 477 Q CA -0.056 55.755 55.803 0.014 0.000 0.901 477 Q CB 0.795 29.532 28.738 -0.003 0.000 1.259 477 Q HN 0.579 nan 8.270 nan 0.000 0.489 478 Q N 0.676 120.491 119.800 0.026 0.000 2.331 478 Q HA 0.310 4.650 4.340 -0.001 0.000 0.272 478 Q C -1.104 174.885 176.000 -0.019 0.000 1.062 478 Q CA -0.592 55.219 55.803 0.013 0.000 0.806 478 Q CB 2.576 31.349 28.738 0.059 0.000 1.312 478 Q HN 0.481 nan 8.270 nan 0.000 0.431 479 V N 2.564 122.440 119.914 -0.063 0.000 2.872 479 V HA 0.115 4.234 4.120 -0.001 0.000 0.307 479 V C 0.444 176.538 176.094 -0.001 0.000 1.072 479 V CA 0.712 62.993 62.300 -0.032 0.000 1.148 479 V CB 1.086 32.877 31.823 -0.053 0.000 0.954 479 V HN 0.999 nan 8.190 nan 0.000 0.490 480 T N 0.000 114.583 114.554 0.048 0.000 3.816 480 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 480 T CA 0.000 62.139 62.100 0.065 0.000 1.349 480 T CB 0.000 68.895 68.868 0.045 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658