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 2elc_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDAVKKAILG EVLEEEEAYE VMRALMAGEV SPVRAAGLLV ALSLRGERPH DATA SEQUENCE EIAAMARAMR EAARPLRVHR RPLLDIVGTG GDGKGLMNLS TLAALVAAAG DATA SEQUENCE GVAVAKHGNR AASSRAGSAD LLEALGVDLE APPERVGEAI EELGFGFLFA DATA SEQUENCE RVFHPAMRHV APVRAELGVR TVFNLLGPLT NPAGADAYVL GVFSPEWLAP DATA SEQUENCE MAEALERLGA RGLVVHGEGA DELVLGENRV VEVGKGAYAL TPEEVGLKRA DATA SEQUENCE PLEALKGGGP EENAALARRL LKGEEKGPLA DAVALAAGAG FYAAGKTPSL DATA SEQUENCE KEGVALAREV LASGEAYLLL ERYVAFLRA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.605 32.600 0.009 0.000 1.302 2 D N 0.597 121.003 120.400 0.012 0.000 2.117 2 D HA -0.029 4.611 4.640 0.000 0.000 0.198 2 D C 1.354 177.662 176.300 0.014 0.000 0.982 2 D CA 1.864 55.872 54.000 0.013 0.000 0.828 2 D CB 0.225 41.034 40.800 0.014 0.000 0.967 2 D HN 0.538 nan 8.370 nan 0.000 0.464 3 A N 0.477 123.307 122.820 0.017 0.000 1.969 3 A HA -0.076 4.244 4.320 0.000 0.000 0.218 3 A C 2.582 180.174 177.584 0.013 0.000 1.169 3 A CA 1.091 53.139 52.037 0.019 0.000 0.635 3 A CB -0.582 18.433 19.000 0.024 0.000 0.810 3 A HN 0.225 nan 8.150 nan 0.000 0.445 4 V N 0.235 120.154 119.914 0.010 0.000 2.358 4 V HA -0.256 3.864 4.120 0.000 0.000 0.246 4 V C 2.518 178.617 176.094 0.008 0.000 1.047 4 V CA 2.329 64.634 62.300 0.007 0.000 1.035 4 V CB -0.611 31.216 31.823 0.008 0.000 0.658 4 V HN 0.699 nan 8.190 nan 0.000 0.452 5 K N 0.488 120.893 120.400 0.009 0.000 2.057 5 K HA -0.245 4.075 4.320 0.000 0.000 0.207 5 K C 2.290 178.896 176.600 0.010 0.000 1.049 5 K CA 1.820 58.112 56.287 0.009 0.000 0.931 5 K CB -0.164 32.341 32.500 0.009 0.000 0.714 5 K HN 0.379 nan 8.250 nan 0.000 0.440 6 K N 0.109 120.516 120.400 0.012 0.000 2.063 6 K HA -0.152 4.168 4.320 0.000 0.000 0.208 6 K C 1.929 178.537 176.600 0.013 0.000 1.048 6 K CA 1.334 57.629 56.287 0.014 0.000 0.928 6 K CB -0.177 32.334 32.500 0.018 0.000 0.713 6 K HN 0.241 nan 8.250 nan 0.000 0.442 7 A N 1.218 124.044 122.820 0.010 0.000 1.898 7 A HA -0.106 4.215 4.320 0.000 0.000 0.216 7 A C 2.065 179.654 177.584 0.007 0.000 1.181 7 A CA 1.353 53.393 52.037 0.006 0.000 0.620 7 A CB -0.526 18.473 19.000 -0.002 0.000 0.819 7 A HN 0.344 nan 8.150 nan 0.000 0.442 8 I N -0.221 120.353 120.570 0.008 0.000 2.335 8 I HA -0.238 3.932 4.170 0.000 0.000 0.251 8 I C 1.895 178.018 176.117 0.010 0.000 1.129 8 I CA 1.018 62.323 61.300 0.009 0.000 1.402 8 I CB -0.239 37.766 38.000 0.009 0.000 1.069 8 I HN 0.268 nan 8.210 nan 0.000 0.424 9 L N 0.415 121.644 121.223 0.010 0.000 2.551 9 L HA 0.040 4.381 4.340 0.000 0.000 0.228 9 L C 1.547 178.424 176.870 0.011 0.000 1.153 9 L CA 0.707 55.553 54.840 0.010 0.000 0.851 9 L CB -0.512 41.553 42.059 0.010 0.000 0.959 9 L HN 0.533 nan 8.230 nan 0.000 0.451 10 G N 0.059 108.867 108.800 0.012 0.000 2.141 10 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 10 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 10 G C 0.021 174.931 174.900 0.016 0.000 0.982 10 G CA -0.273 44.836 45.100 0.014 0.000 0.662 10 G HN 0.434 nan 8.290 nan 0.000 0.527 11 E N -0.268 119.942 120.200 0.017 0.000 2.313 11 E HA 0.486 4.836 4.350 0.000 0.000 0.272 11 E C 0.516 177.133 176.600 0.028 0.000 1.038 11 E CA -0.767 55.646 56.400 0.022 0.000 0.863 11 E CB 1.959 31.672 29.700 0.022 0.000 1.060 11 E HN 0.094 nan 8.360 nan 0.000 0.402 12 V N 3.793 123.731 119.914 0.040 0.000 2.637 12 V HA 0.059 4.179 4.120 0.000 0.000 0.296 12 V C 0.300 176.440 176.094 0.077 0.000 1.046 12 V CA -0.042 62.294 62.300 0.059 0.000 1.066 12 V CB 0.230 32.106 31.823 0.089 0.000 0.968 12 V HN 0.458 nan 8.190 nan 0.000 0.483 13 L N 4.112 125.382 121.223 0.079 0.000 2.357 13 L HA 0.473 4.813 4.340 0.000 0.000 0.273 13 L C 0.546 177.535 176.870 0.199 0.000 1.080 13 L CA -0.687 54.209 54.840 0.093 0.000 0.803 13 L CB 0.811 42.898 42.059 0.046 0.000 1.174 13 L HN 0.559 nan 8.230 nan 0.000 0.443 14 E N 1.224 121.511 120.200 0.145 0.000 2.371 14 E HA -0.030 4.321 4.350 0.000 0.000 0.257 14 E C 0.652 177.368 176.600 0.195 0.000 1.134 14 E CA -0.100 56.387 56.400 0.145 0.000 0.919 14 E CB 0.868 30.606 29.700 0.063 0.000 1.025 14 E HN 0.590 nan 8.360 nan 0.000 0.438 15 E N 1.254 121.582 120.200 0.212 0.000 2.070 15 E HA -0.276 4.074 4.350 0.000 0.000 0.197 15 E C 1.164 177.846 176.600 0.137 0.000 1.004 15 E CA 1.822 58.348 56.400 0.210 0.000 0.805 15 E CB 0.166 29.945 29.700 0.133 0.000 0.744 15 E HN 0.413 nan 8.360 nan 0.000 0.451 16 E N 0.465 120.720 120.200 0.092 0.000 2.110 16 E HA -0.179 4.171 4.350 0.000 0.000 0.193 16 E C 1.958 178.646 176.600 0.147 0.000 0.988 16 E CA 1.467 57.925 56.400 0.096 0.000 0.804 16 E CB -0.012 29.717 29.700 0.049 0.000 0.745 16 E HN 0.383 nan 8.360 nan 0.000 0.458 17 E N 0.285 120.550 120.200 0.109 0.000 2.072 17 E HA -0.147 4.203 4.350 0.000 0.000 0.191 17 E C 2.104 178.752 176.600 0.080 0.000 0.985 17 E CA 0.884 57.336 56.400 0.087 0.000 0.801 17 E CB -0.158 29.582 29.700 0.066 0.000 0.750 17 E HN 0.277 nan 8.360 nan 0.000 0.452 18 A N 1.011 123.881 122.820 0.084 0.000 1.902 18 A HA -0.226 4.094 4.320 0.000 0.000 0.217 18 A C 2.067 179.686 177.584 0.057 0.000 1.181 18 A CA 1.468 53.529 52.037 0.040 0.000 0.623 18 A CB -0.829 18.178 19.000 0.011 0.000 0.818 18 A HN 0.423 nan 8.150 nan 0.000 0.443 19 Y N 0.728 121.025 120.300 -0.005 0.000 2.145 19 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 19 Y C 2.315 178.218 175.900 0.004 0.000 1.145 19 Y CA 2.202 60.301 58.100 -0.002 0.000 1.148 19 Y CB -0.070 38.395 38.460 0.008 0.000 0.981 19 Y HN 0.308 nan 8.280 nan 0.000 0.507 20 E N -0.191 120.057 120.200 0.079 0.000 2.110 20 E HA -0.155 4.195 4.350 0.000 0.000 0.193 20 E C 2.461 179.018 176.600 -0.072 0.000 0.988 20 E CA 1.357 57.749 56.400 -0.012 0.000 0.804 20 E CB -0.616 29.136 29.700 0.086 0.000 0.745 20 E HN 0.443 nan 8.360 nan 0.000 0.458 21 V N 1.282 121.171 119.914 -0.041 0.000 2.295 21 V HA -0.261 3.859 4.120 0.000 0.000 0.246 21 V C 2.393 178.448 176.094 -0.065 0.000 1.049 21 V CA 1.889 64.165 62.300 -0.040 0.000 1.024 21 V CB -0.431 31.375 31.823 -0.029 0.000 0.648 21 V HN 0.225 nan 8.190 nan 0.000 0.447 22 M N 0.077 119.612 119.600 -0.109 0.000 2.175 22 M HA -0.084 4.396 4.480 0.000 0.000 0.264 22 M C 2.169 178.396 176.300 -0.123 0.000 1.063 22 M CA 1.678 56.913 55.300 -0.108 0.000 1.119 22 M CB -0.785 31.730 32.600 -0.141 0.000 1.377 22 M HN 0.194 nan 8.290 nan 0.000 0.415 23 R N -0.349 119.998 120.500 -0.256 0.000 2.081 23 R HA -0.112 4.228 4.340 0.000 0.000 0.235 23 R C 1.932 178.171 176.300 -0.101 0.000 1.131 23 R CA 1.646 57.591 56.100 -0.259 0.000 0.960 23 R CB -0.418 29.615 30.300 -0.445 0.000 0.856 23 R HN 0.454 nan 8.270 nan 0.000 0.436 24 A N 1.037 123.814 122.820 -0.072 0.000 1.898 24 A HA -0.129 4.191 4.320 0.000 0.000 0.216 24 A C 2.005 179.602 177.584 0.022 0.000 1.181 24 A CA 0.983 53.007 52.037 -0.021 0.000 0.620 24 A CB -0.550 18.441 19.000 -0.016 0.000 0.819 24 A HN 0.363 nan 8.150 nan 0.000 0.442 25 L N -0.427 120.823 121.223 0.043 0.000 1.994 25 L HA -0.144 4.196 4.340 0.000 0.000 0.208 25 L C 2.466 179.457 176.870 0.203 0.000 1.071 25 L CA 2.088 56.998 54.840 0.117 0.000 0.745 25 L CB -0.510 41.633 42.059 0.141 0.000 0.892 25 L HN 0.369 nan 8.230 nan 0.000 0.431 26 M N -1.216 118.470 119.600 0.144 0.000 2.296 26 M HA -0.080 4.400 4.480 0.000 0.000 0.265 26 M C 2.069 178.498 176.300 0.215 0.000 1.064 26 M CA 1.420 56.811 55.300 0.152 0.000 1.109 26 M CB -0.919 31.724 32.600 0.071 0.000 1.396 26 M HN 0.442 nan 8.290 nan 0.000 0.430 27 A N -0.185 122.703 122.820 0.114 0.000 2.206 27 A HA 0.320 4.640 4.320 0.000 0.000 0.211 27 A C 1.603 179.177 177.584 -0.017 0.000 1.158 27 A CA 0.968 53.040 52.037 0.058 0.000 0.761 27 A CB -0.749 18.258 19.000 0.011 0.000 0.801 27 A HN 0.651 nan 8.150 nan 0.000 0.473 28 G N -0.618 108.146 108.800 -0.061 0.000 2.149 28 G HA2 -0.238 3.722 3.960 0.000 0.000 0.235 28 G HA3 -0.238 3.722 3.960 0.000 0.000 0.235 28 G C 0.278 175.070 174.900 -0.179 0.000 1.018 28 G CA 0.503 45.375 45.100 -0.380 0.000 0.728 28 G HN 0.610 nan 8.290 nan 0.000 0.508 29 E N -1.111 119.045 120.200 -0.073 0.000 2.472 29 E HA 0.245 4.595 4.350 0.000 0.000 0.196 29 E C 0.568 177.151 176.600 -0.029 0.000 1.033 29 E CA 0.241 56.613 56.400 -0.046 0.000 0.886 29 E CB 0.847 30.533 29.700 -0.024 0.000 0.944 29 E HN 0.381 nan 8.360 nan 0.000 0.492 30 V N 2.258 122.162 119.914 -0.016 0.000 2.417 30 V HA 0.120 4.240 4.120 0.000 0.000 0.291 30 V C 0.352 176.447 176.094 0.001 0.000 1.024 30 V CA -0.918 61.384 62.300 0.004 0.000 0.861 30 V CB 1.520 33.361 31.823 0.030 0.000 0.985 30 V HN 0.153 nan 8.190 nan 0.000 0.436 31 S N 5.050 120.749 115.700 -0.001 0.000 2.576 31 S HA 0.216 4.686 4.470 0.000 0.000 0.272 31 S C -1.693 172.914 174.600 0.012 0.000 1.352 31 S CA -0.626 57.573 58.200 -0.002 0.000 1.021 31 S CB 0.778 63.977 63.200 -0.003 0.000 0.887 31 S HN 0.543 nan 8.310 nan 0.000 0.542 32 P HA -0.085 nan 4.420 nan 0.000 0.215 32 P C 1.576 178.887 177.300 0.017 0.000 1.153 32 P CA 0.677 63.788 63.100 0.018 0.000 0.853 32 P CB -0.095 31.612 31.700 0.011 0.000 0.788 33 V N -0.135 119.786 119.914 0.011 0.000 2.295 33 V HA -0.247 3.873 4.120 0.000 0.000 0.246 33 V C 2.402 178.504 176.094 0.014 0.000 1.049 33 V CA 1.890 64.196 62.300 0.011 0.000 1.024 33 V CB -0.915 30.912 31.823 0.007 0.000 0.648 33 V HN 0.082 nan 8.190 nan 0.000 0.447 34 R N -0.060 120.449 120.500 0.014 0.000 2.115 34 R HA -0.015 4.325 4.340 0.000 0.000 0.226 34 R C 2.378 178.693 176.300 0.025 0.000 1.100 34 R CA 1.213 57.322 56.100 0.016 0.000 0.980 34 R CB -0.496 29.812 30.300 0.013 0.000 0.875 34 R HN 0.534 nan 8.270 nan 0.000 0.445 35 A N 1.423 124.263 122.820 0.034 0.000 1.898 35 A HA -0.076 4.244 4.320 0.000 0.000 0.216 35 A C 2.376 179.991 177.584 0.051 0.000 1.181 35 A CA 1.576 53.645 52.037 0.053 0.000 0.620 35 A CB -0.574 18.467 19.000 0.068 0.000 0.819 35 A HN 0.364 nan 8.150 nan 0.000 0.442 36 A N -0.429 122.413 122.820 0.037 0.000 1.902 36 A HA 0.130 4.450 4.320 0.000 0.000 0.217 36 A C 2.415 180.015 177.584 0.026 0.000 1.181 36 A CA 1.929 53.984 52.037 0.031 0.000 0.623 36 A CB -1.393 17.619 19.000 0.020 0.000 0.818 36 A HN 0.713 nan 8.150 nan 0.000 0.443 37 G N -0.020 108.792 108.800 0.021 0.000 2.418 37 G HA2 -0.143 3.817 3.960 0.000 0.000 0.217 37 G HA3 -0.143 3.817 3.960 0.000 0.000 0.217 37 G C 1.519 176.429 174.900 0.016 0.000 1.158 37 G CA 1.260 46.370 45.100 0.016 0.000 0.771 37 G HN 0.630 nan 8.290 nan 0.000 0.545 38 L N 0.384 121.618 121.223 0.018 0.000 2.046 38 L HA 0.105 4.445 4.340 0.000 0.000 0.208 38 L C 2.607 179.480 176.870 0.006 0.000 1.077 38 L CA 1.467 56.313 54.840 0.011 0.000 0.747 38 L CB -0.457 41.609 42.059 0.012 0.000 0.896 38 L HN 0.195 nan 8.230 nan 0.000 0.432 39 L N -1.301 119.934 121.223 0.020 0.000 2.046 39 L HA -0.173 4.167 4.340 0.000 0.000 0.208 39 L C 2.467 179.345 176.870 0.012 0.000 1.077 39 L CA 1.019 55.868 54.840 0.016 0.000 0.747 39 L CB -0.634 41.464 42.059 0.064 0.000 0.896 39 L HN 0.161 nan 8.230 nan 0.000 0.432 40 V N 0.004 119.928 119.914 0.018 0.000 2.358 40 V HA -0.253 3.868 4.120 0.000 0.000 0.246 40 V C 2.749 178.854 176.094 0.018 0.000 1.047 40 V CA 1.722 64.033 62.300 0.018 0.000 1.035 40 V CB -0.785 31.048 31.823 0.016 0.000 0.658 40 V HN 0.463 nan 8.190 nan 0.000 0.452 41 A N -0.103 122.725 122.820 0.014 0.000 1.877 41 A HA -0.172 4.148 4.320 0.000 0.000 0.216 41 A C 2.218 179.811 177.584 0.015 0.000 1.186 41 A CA 1.849 53.895 52.037 0.014 0.000 0.620 41 A CB -0.579 18.428 19.000 0.010 0.000 0.822 41 A HN 0.492 nan 8.150 nan 0.000 0.443 42 L N -0.829 120.397 121.223 0.005 0.000 2.046 42 L HA -0.175 4.165 4.340 0.000 0.000 0.208 42 L C 2.928 179.816 176.870 0.030 0.000 1.077 42 L CA 1.597 56.437 54.840 0.001 0.000 0.747 42 L CB -0.505 41.532 42.059 -0.038 0.000 0.896 42 L HN 0.497 nan 8.230 nan 0.000 0.432 43 S N -0.054 115.665 115.700 0.032 0.000 2.368 43 S HA -0.103 4.367 4.470 0.000 0.000 0.224 43 S C 1.981 176.635 174.600 0.090 0.000 1.029 43 S CA 1.043 59.286 58.200 0.070 0.000 0.988 43 S CB -0.126 63.103 63.200 0.049 0.000 0.838 43 S HN 0.277 nan 8.310 nan 0.000 0.462 44 L N 1.014 122.271 121.223 0.058 0.000 2.056 44 L HA -0.032 4.308 4.340 0.000 0.000 0.207 44 L C 2.811 179.710 176.870 0.048 0.000 1.078 44 L CA 1.616 56.487 54.840 0.051 0.000 0.749 44 L CB -0.518 41.561 42.059 0.033 0.000 0.901 44 L HN 0.361 nan 8.230 nan 0.000 0.433 45 R N 0.855 121.381 120.500 0.043 0.000 2.075 45 R HA 0.004 4.344 4.340 0.000 0.000 0.232 45 R C 0.372 176.700 176.300 0.046 0.000 1.126 45 R CA 1.045 57.167 56.100 0.036 0.000 0.963 45 R CB 0.017 30.334 30.300 0.028 0.000 0.858 45 R HN 0.297 nan 8.270 nan 0.000 0.435 46 G N 1.486 110.336 108.800 0.082 0.000 3.373 46 G HA2 -0.132 3.828 3.960 0.000 0.000 0.685 46 G HA3 -0.132 3.828 3.960 0.000 0.000 0.685 46 G C -1.458 173.519 174.900 0.128 0.000 1.166 46 G CA -0.504 44.672 45.100 0.126 0.000 1.063 46 G HN 0.343 nan 8.290 nan 0.000 0.481 47 E N 2.115 122.444 120.200 0.215 0.000 2.384 47 E HA 0.449 4.799 4.350 0.000 0.000 0.266 47 E C 0.942 177.616 176.600 0.124 0.000 1.012 47 E CA -0.112 56.356 56.400 0.114 0.000 0.901 47 E CB 0.693 30.425 29.700 0.053 0.000 0.967 47 E HN 0.468 nan 8.360 nan 0.000 0.435 48 R N 3.703 124.191 120.500 -0.019 0.000 2.536 48 R HA 0.208 4.548 4.340 0.000 0.000 0.279 48 R C -1.815 174.442 176.300 -0.072 0.000 1.001 48 R CA -2.329 53.753 56.100 -0.029 0.000 1.027 48 R CB -0.074 30.200 30.300 -0.043 0.000 1.096 48 R HN 0.349 nan 8.270 nan 0.000 0.502 49 P HA -0.215 nan 4.420 nan 0.000 0.216 49 P C 1.132 178.437 177.300 0.008 0.000 1.154 49 P CA 1.569 64.689 63.100 0.032 0.000 0.865 49 P CB -0.097 31.642 31.700 0.065 0.000 0.789 50 H N -0.517 118.563 119.070 0.016 0.000 2.457 50 H HA 0.002 4.558 4.556 0.000 0.000 0.294 50 H C 1.410 176.746 175.328 0.013 0.000 1.064 50 H CA 1.214 57.268 56.048 0.011 0.000 1.330 50 H CB -0.695 29.072 29.762 0.008 0.000 1.395 50 H HN 0.226 nan 8.280 nan 0.000 0.541 51 E N 0.864 120.714 120.200 -0.585 0.000 2.046 51 E HA -0.015 4.335 4.350 0.000 0.000 0.190 51 E C 2.553 179.056 176.600 -0.162 0.000 0.982 51 E CA 0.873 57.061 56.400 -0.353 0.000 0.800 51 E CB 0.147 29.619 29.700 -0.381 0.000 0.756 51 E HN 0.417 nan 8.360 nan 0.000 0.449 52 I N 1.473 121.956 120.570 -0.145 0.000 2.163 52 I HA -0.295 3.875 4.170 0.000 0.000 0.243 52 I C 2.584 178.655 176.117 -0.076 0.000 1.085 52 I CA 1.139 62.371 61.300 -0.112 0.000 1.347 52 I CB -0.331 37.618 38.000 -0.086 0.000 1.044 52 I HN 0.083 nan 8.210 nan 0.000 0.408 53 A N 0.626 123.421 122.820 -0.041 0.000 1.902 53 A HA -0.128 4.192 4.320 0.000 0.000 0.217 53 A C 2.540 180.135 177.584 0.019 0.000 1.181 53 A CA 1.778 53.807 52.037 -0.012 0.000 0.623 53 A CB -0.825 18.180 19.000 0.009 0.000 0.818 53 A HN 0.433 nan 8.150 nan 0.000 0.443 54 A N -0.568 122.275 122.820 0.037 0.000 1.902 54 A HA -0.107 4.213 4.320 0.000 0.000 0.217 54 A C 2.252 179.910 177.584 0.125 0.000 1.181 54 A CA 1.784 53.886 52.037 0.108 0.000 0.623 54 A CB -0.515 18.559 19.000 0.123 0.000 0.818 54 A HN 0.525 nan 8.150 nan 0.000 0.443 55 M N -0.742 118.867 119.600 0.014 0.000 2.254 55 M HA -0.080 4.400 4.480 0.000 0.000 0.265 55 M C 2.485 178.762 176.300 -0.037 0.000 1.066 55 M CA 1.127 56.398 55.300 -0.048 0.000 1.123 55 M CB -0.353 32.163 32.600 -0.139 0.000 1.388 55 M HN 0.493 nan 8.290 nan 0.000 0.425 56 A N 0.755 123.559 122.820 -0.027 0.000 1.933 56 A HA -0.148 4.172 4.320 0.000 0.000 0.218 56 A C 2.153 179.760 177.584 0.038 0.000 1.175 56 A CA 1.403 53.431 52.037 -0.014 0.000 0.628 56 A CB -0.540 18.442 19.000 -0.030 0.000 0.814 56 A HN 0.426 nan 8.150 nan 0.000 0.444 57 R N -0.488 120.062 120.500 0.083 0.000 2.081 57 R HA -0.079 4.261 4.340 0.000 0.000 0.235 57 R C 2.495 178.909 176.300 0.190 0.000 1.131 57 R CA 1.197 57.383 56.100 0.143 0.000 0.960 57 R CB -0.505 29.901 30.300 0.178 0.000 0.856 57 R HN 0.506 nan 8.270 nan 0.000 0.436 58 A N 1.187 124.098 122.820 0.152 0.000 1.902 58 A HA -0.169 4.151 4.320 0.000 0.000 0.217 58 A C 2.200 179.777 177.584 -0.012 0.000 1.181 58 A CA 1.396 53.391 52.037 -0.071 0.000 0.623 58 A CB -0.414 18.360 19.000 -0.376 0.000 0.818 58 A HN 0.190 nan 8.150 nan 0.000 0.443 59 M N -1.315 118.295 119.600 0.017 0.000 2.132 59 M HA -0.134 4.346 4.480 0.000 0.000 0.263 59 M C 2.398 178.765 176.300 0.112 0.000 1.065 59 M CA 1.402 56.735 55.300 0.056 0.000 1.122 59 M CB -0.304 32.317 32.600 0.036 0.000 1.365 59 M HN 0.364 nan 8.290 nan 0.000 0.411 60 R N 0.142 120.703 120.500 0.102 0.000 2.096 60 R HA -0.149 4.191 4.340 0.000 0.000 0.235 60 R C 1.877 178.233 176.300 0.093 0.000 1.127 60 R CA 1.344 57.507 56.100 0.106 0.000 0.968 60 R CB -0.291 30.053 30.300 0.073 0.000 0.861 60 R HN 0.509 nan 8.270 nan 0.000 0.440 61 E N 0.088 120.345 120.200 0.096 0.000 2.208 61 E HA -0.089 4.261 4.350 0.000 0.000 0.193 61 E C 1.737 178.381 176.600 0.074 0.000 0.988 61 E CA 0.893 57.347 56.400 0.090 0.000 0.828 61 E CB 0.081 29.859 29.700 0.129 0.000 0.763 61 E HN 0.340 nan 8.360 nan 0.000 0.478 62 A N 1.239 124.105 122.820 0.076 0.000 2.123 62 A HA 0.275 4.595 4.320 0.000 0.000 0.214 62 A C 1.290 178.926 177.584 0.087 0.000 1.152 62 A CA 0.431 52.511 52.037 0.072 0.000 0.728 62 A CB -0.035 19.005 19.000 0.066 0.000 0.814 62 A HN 0.218 nan 8.150 nan 0.000 0.464 63 A N 0.304 123.190 122.820 0.111 0.000 2.346 63 A HA 0.457 4.777 4.320 0.000 0.000 0.252 63 A C 0.378 177.981 177.584 0.031 0.000 1.089 63 A CA -0.548 51.533 52.037 0.074 0.000 0.797 63 A CB 0.126 19.145 19.000 0.032 0.000 1.047 63 A HN 0.350 nan 8.150 nan 0.000 0.494 64 R N 0.751 121.254 120.500 0.005 0.000 2.458 64 R HA 0.156 4.496 4.340 0.000 0.000 0.303 64 R C -2.480 173.865 176.300 0.076 0.000 1.013 64 R CA -1.082 55.018 56.100 -0.000 0.000 1.026 64 R CB -0.516 29.712 30.300 -0.120 0.000 0.948 64 R HN 0.423 nan 8.270 nan 0.000 0.417 65 P HA 0.051 nan 4.420 nan 0.000 0.268 65 P C -0.821 176.525 177.300 0.077 0.000 1.205 65 P CA -0.135 62.993 63.100 0.046 0.000 0.771 65 P CB 0.530 32.243 31.700 0.022 0.000 0.858 66 L N 2.750 124.003 121.223 0.049 0.000 2.639 66 L HA 0.463 4.803 4.340 0.000 0.000 0.264 66 L C -1.146 175.702 176.870 -0.036 0.000 0.948 66 L CA -0.458 54.408 54.840 0.043 0.000 0.912 66 L CB 1.599 43.718 42.059 0.099 0.000 1.294 66 L HN 0.242 nan 8.230 nan 0.000 0.412 67 R N 4.470 124.938 120.500 -0.053 0.000 2.534 67 R HA 0.901 5.241 4.340 0.000 0.000 0.301 67 R C -1.585 174.626 176.300 -0.148 0.000 0.961 67 R CA -0.553 55.485 56.100 -0.103 0.000 0.871 67 R CB 1.846 32.078 30.300 -0.113 0.000 1.170 67 R HN 0.594 nan 8.270 nan 0.000 0.446 68 V N 1.053 120.871 119.914 -0.159 0.000 2.914 68 V HA 0.431 4.551 4.120 0.000 0.000 0.314 68 V C 0.303 176.301 176.094 -0.161 0.000 1.084 68 V CA -0.742 61.465 62.300 -0.157 0.000 0.963 68 V CB 1.993 33.766 31.823 -0.084 0.000 1.025 68 V HN 0.868 nan 8.190 nan 0.000 0.432 69 H N 0.999 120.063 119.070 -0.010 0.000 2.482 69 H HA 0.252 4.809 4.556 0.000 0.000 0.286 69 H C 0.629 175.948 175.328 -0.015 0.000 1.017 69 H CA 0.444 56.487 56.048 -0.009 0.000 1.322 69 H CB 0.310 30.072 29.762 -0.001 0.000 1.426 69 H HN 0.493 nan 8.280 nan 0.000 0.546 70 R N 2.374 122.930 120.500 0.094 0.000 2.504 70 R HA 0.052 4.392 4.340 0.000 0.000 0.291 70 R C 0.195 176.503 176.300 0.013 0.000 0.974 70 R CA 0.393 56.518 56.100 0.041 0.000 1.077 70 R CB 0.273 30.579 30.300 0.010 0.000 0.926 70 R HN 0.207 nan 8.270 nan 0.000 0.407 71 R N 2.614 123.122 120.500 0.013 0.000 2.626 71 R HA 0.397 4.737 4.340 0.000 0.000 0.274 71 R C -2.307 173.993 176.300 0.000 0.000 1.031 71 R CA -1.952 54.148 56.100 -0.001 0.000 0.898 71 R CB 1.091 31.395 30.300 0.007 0.000 1.222 71 R HN 0.398 nan 8.270 nan 0.000 0.455 72 P HA 0.262 nan 4.420 nan 0.000 0.272 72 P C -0.908 176.364 177.300 -0.045 0.000 1.223 72 P CA -0.636 62.448 63.100 -0.026 0.000 0.784 72 P CB 0.541 32.226 31.700 -0.025 0.000 0.923 73 L N 2.924 124.098 121.223 -0.082 0.000 2.342 73 L HA 0.459 4.799 4.340 0.000 0.000 0.276 73 L C -1.178 175.571 176.870 -0.201 0.000 0.997 73 L CA -0.759 54.009 54.840 -0.121 0.000 0.838 73 L CB 1.026 43.013 42.059 -0.120 0.000 1.224 73 L HN 0.216 nan 8.230 nan 0.000 0.416 74 L N 4.549 125.656 121.223 -0.192 0.000 2.325 74 L HA 0.690 5.030 4.340 0.000 0.000 0.279 74 L C -1.023 175.677 176.870 -0.282 0.000 1.054 74 L CA 0.290 54.978 54.840 -0.253 0.000 0.804 74 L CB 1.447 43.413 42.059 -0.155 0.000 1.200 74 L HN 0.671 nan 8.230 nan 0.000 0.436 75 D N 3.761 123.932 120.400 -0.382 0.000 2.879 75 D HA 0.458 5.098 4.640 0.000 0.000 0.236 75 D C -1.317 174.933 176.300 -0.083 0.000 1.171 75 D CA -0.125 53.738 54.000 -0.229 0.000 0.868 75 D CB 1.643 42.295 40.800 -0.247 0.000 1.598 75 D HN 0.496 nan 8.370 nan 0.000 0.497 76 I N 3.328 123.908 120.570 0.015 0.000 2.411 76 I HA 0.463 4.633 4.170 0.000 0.000 0.284 76 I C -0.618 175.561 176.117 0.104 0.000 1.012 76 I CA -0.928 60.407 61.300 0.059 0.000 1.119 76 I CB 1.812 39.828 38.000 0.027 0.000 1.261 76 I HN 0.083 nan 8.210 nan 0.000 0.448 77 V N 5.099 125.093 119.914 0.133 0.000 3.178 77 V HA 0.912 5.032 4.120 0.000 0.000 0.302 77 V C -0.725 175.431 176.094 0.104 0.000 1.262 77 V CA -0.158 62.219 62.300 0.129 0.000 1.030 77 V CB 2.424 34.348 31.823 0.169 0.000 1.074 77 V HN 0.745 nan 8.190 nan 0.000 0.438 78 G N 0.790 109.638 108.800 0.080 0.000 2.630 78 G HA2 0.513 4.473 3.960 0.000 0.000 0.296 78 G HA3 0.513 4.473 3.960 0.000 0.000 0.296 78 G C 0.615 175.550 174.900 0.059 0.000 1.285 78 G CA 0.274 45.418 45.100 0.073 0.000 0.958 78 G HN 1.271 nan 8.290 nan 0.000 0.479 79 T N -2.309 112.292 114.554 0.077 0.000 3.067 79 T HA 0.399 4.750 4.350 0.000 0.000 0.261 79 T C 1.512 176.277 174.700 0.107 0.000 1.110 79 T CA 1.178 63.331 62.100 0.087 0.000 1.113 79 T CB -0.503 68.451 68.868 0.143 0.000 0.917 79 T HN 2.347 nan 8.240 nan 0.000 0.499 80 G N 0.587 109.456 108.800 0.115 0.000 2.750 80 G HA2 0.277 4.238 3.960 0.000 0.000 0.228 80 G HA3 0.277 4.238 3.960 0.000 0.000 0.228 80 G C 0.688 175.637 174.900 0.082 0.000 1.367 80 G CA 0.019 45.166 45.100 0.079 0.000 0.871 80 G HN 1.687 nan 8.290 nan 0.000 0.560 81 G N -1.258 107.537 108.800 -0.010 0.000 2.153 81 G HA2 -0.052 3.908 3.960 0.000 0.000 0.252 81 G HA3 -0.052 3.908 3.960 0.000 0.000 0.252 81 G C 0.793 175.639 174.900 -0.090 0.000 0.994 81 G CA 1.433 46.452 45.100 -0.135 0.000 0.698 81 G HN 2.316 nan 8.290 nan 0.000 0.521 82 D N -0.641 119.801 120.400 0.070 0.000 2.348 82 D HA 0.320 4.960 4.640 0.000 0.000 0.211 82 D C 1.964 178.308 176.300 0.074 0.000 0.998 82 D CA 0.840 54.925 54.000 0.142 0.000 0.873 82 D CB -0.767 40.147 40.800 0.191 0.000 0.925 82 D HN 1.488 nan 8.370 nan 0.000 0.524 83 G N 0.738 109.555 108.800 0.029 0.000 2.212 83 G HA2 -0.422 3.538 3.960 0.000 0.000 0.267 83 G HA3 -0.422 3.538 3.960 0.000 0.000 0.267 83 G C 1.160 176.078 174.900 0.030 0.000 1.002 83 G CA 0.943 46.053 45.100 0.018 0.000 0.729 83 G HN 0.424 nan 8.290 nan 0.000 0.517 84 K N -0.081 120.343 120.400 0.040 0.000 2.262 84 K HA 0.377 4.697 4.320 0.000 0.000 0.200 84 K C 2.050 178.664 176.600 0.023 0.000 1.049 84 K CA 1.398 57.705 56.287 0.034 0.000 0.979 84 K CB -0.354 32.168 32.500 0.036 0.000 0.773 84 K HN 1.382 nan 8.250 nan 0.000 0.474 85 G N 1.058 109.872 108.800 0.023 0.000 2.249 85 G HA2 -0.267 3.693 3.960 0.000 0.000 0.273 85 G HA3 -0.267 3.693 3.960 0.000 0.000 0.273 85 G C -0.181 174.728 174.900 0.015 0.000 1.036 85 G CA 0.519 45.629 45.100 0.017 0.000 0.824 85 G HN 0.194 nan 8.290 nan 0.000 0.504 86 L N -0.764 120.469 121.223 0.017 0.000 2.456 86 L HA 0.497 4.838 4.340 0.000 0.000 0.257 86 L C 1.442 178.319 176.870 0.013 0.000 1.162 86 L CA -0.921 53.926 54.840 0.012 0.000 0.808 86 L CB 0.837 42.901 42.059 0.009 0.000 1.136 86 L HN 0.332 nan 8.230 nan 0.000 0.466 87 M N 2.221 121.826 119.600 0.009 0.000 2.252 87 M HA -0.024 4.456 4.480 0.000 0.000 0.348 87 M C 0.334 176.642 176.300 0.013 0.000 1.334 87 M CA 0.353 55.658 55.300 0.009 0.000 1.071 87 M CB 0.029 32.631 32.600 0.004 0.000 1.763 87 M HN 0.520 nan 8.290 nan 0.000 0.452 88 N N 4.906 123.616 118.700 0.017 0.000 2.434 88 N HA 0.093 4.833 4.740 0.000 0.000 0.273 88 N C 0.412 175.934 175.510 0.020 0.000 1.210 88 N CA -0.318 52.747 53.050 0.025 0.000 0.992 88 N CB 0.295 38.802 38.487 0.033 0.000 1.355 88 N HN 0.757 nan 8.380 nan 0.000 0.495 89 L N 2.176 123.411 121.223 0.019 0.000 2.492 89 L HA -0.051 4.289 4.340 0.000 0.000 0.223 89 L C 2.456 179.337 176.870 0.020 0.000 1.132 89 L CA 0.105 54.953 54.840 0.013 0.000 0.850 89 L CB -0.318 41.747 42.059 0.009 0.000 0.966 89 L HN 0.600 nan 8.230 nan 0.000 0.454 90 S N -0.871 114.850 115.700 0.036 0.000 2.387 90 S HA -0.224 4.246 4.470 0.000 0.000 0.230 90 S C 1.914 176.549 174.600 0.059 0.000 1.035 90 S CA 1.917 60.146 58.200 0.049 0.000 1.014 90 S CB -0.796 62.447 63.200 0.072 0.000 0.836 90 S HN 0.380 nan 8.310 nan 0.000 0.466 91 T N 3.044 117.634 114.554 0.060 0.000 2.746 91 T HA 0.112 4.462 4.350 0.000 0.000 0.267 91 T C 1.746 176.461 174.700 0.025 0.000 1.039 91 T CA 1.523 63.662 62.100 0.065 0.000 1.142 91 T CB -0.487 68.385 68.868 0.005 0.000 0.866 91 T HN 0.361 nan 8.240 nan 0.000 0.444 92 L N 0.712 121.934 121.223 -0.002 0.000 2.072 92 L HA 0.033 4.374 4.340 0.000 0.000 0.205 92 L C 3.099 179.951 176.870 -0.030 0.000 1.079 92 L CA 1.055 55.880 54.840 -0.025 0.000 0.752 92 L CB -0.749 41.300 42.059 -0.016 0.000 0.906 92 L HN 0.224 nan 8.230 nan 0.000 0.436 93 A N 0.333 123.141 122.820 -0.019 0.000 1.933 93 A HA -0.132 4.188 4.320 0.000 0.000 0.218 93 A C 2.549 180.093 177.584 -0.066 0.000 1.175 93 A CA 1.666 53.676 52.037 -0.045 0.000 0.628 93 A CB -0.584 18.395 19.000 -0.035 0.000 0.814 93 A HN 0.390 nan 8.150 nan 0.000 0.444 94 A N -0.306 122.513 122.820 -0.002 0.000 1.898 94 A HA -0.013 4.307 4.320 0.000 0.000 0.216 94 A C 2.150 179.766 177.584 0.052 0.000 1.181 94 A CA 1.430 53.502 52.037 0.058 0.000 0.620 94 A CB -0.556 18.560 19.000 0.194 0.000 0.819 94 A HN 0.463 nan 8.150 nan 0.000 0.442 95 L N -0.619 120.566 121.223 -0.064 0.000 2.083 95 L HA -0.150 4.190 4.340 0.000 0.000 0.209 95 L C 2.519 179.302 176.870 -0.145 0.000 1.083 95 L CA 0.911 55.582 54.840 -0.283 0.000 0.752 95 L CB -0.424 41.422 42.059 -0.355 0.000 0.899 95 L HN 0.249 nan 8.230 nan 0.000 0.433 96 V N -0.085 119.777 119.914 -0.086 0.000 2.295 96 V HA -0.288 3.832 4.120 0.000 0.000 0.246 96 V C 2.727 178.807 176.094 -0.022 0.000 1.049 96 V CA 1.807 64.090 62.300 -0.030 0.000 1.024 96 V CB -0.825 30.985 31.823 -0.021 0.000 0.648 96 V HN 0.485 nan 8.190 nan 0.000 0.447 97 A N -0.065 122.632 122.820 -0.205 0.000 1.902 97 A HA -0.128 4.192 4.320 0.000 0.000 0.217 97 A C 2.401 179.995 177.584 0.015 0.000 1.181 97 A CA 2.141 53.937 52.037 -0.401 0.000 0.623 97 A CB -0.738 17.971 19.000 -0.486 0.000 0.818 97 A HN 0.573 nan 8.150 nan 0.000 0.443 98 A N -0.269 122.572 122.820 0.034 0.000 1.898 98 A HA 0.229 4.549 4.320 0.000 0.000 0.216 98 A C 2.436 180.070 177.584 0.082 0.000 1.181 98 A CA 1.817 53.909 52.037 0.091 0.000 0.620 98 A CB -0.903 18.190 19.000 0.154 0.000 0.819 98 A HN 1.072 nan 8.150 nan 0.000 0.442 99 A N -0.691 122.159 122.820 0.050 0.000 2.067 99 A HA 0.207 4.527 4.320 0.000 0.000 0.219 99 A C 2.085 179.737 177.584 0.112 0.000 1.158 99 A CA 1.512 53.580 52.037 0.052 0.000 0.661 99 A CB -0.866 18.147 19.000 0.022 0.000 0.801 99 A HN 0.728 nan 8.150 nan 0.000 0.452 100 G N -2.067 106.873 108.800 0.233 0.000 2.985 100 G HA2 0.378 4.338 3.960 0.000 0.000 0.209 100 G HA3 0.378 4.338 3.960 0.000 0.000 0.209 100 G C 0.991 175.992 174.900 0.169 0.000 1.165 100 G CA 0.497 45.749 45.100 0.254 0.000 0.776 100 G HN 1.580 nan 8.290 nan 0.000 0.541 101 G N -1.511 107.391 108.800 0.170 0.000 2.154 101 G HA2 -0.156 3.804 3.960 0.000 0.000 0.186 101 G HA3 -0.156 3.804 3.960 0.000 0.000 0.186 101 G C -0.122 174.856 174.900 0.129 0.000 1.000 101 G CA -0.047 45.119 45.100 0.110 0.000 0.664 101 G HN 0.636 nan 8.290 nan 0.000 0.513 102 V N 1.251 121.272 119.914 0.179 0.000 2.459 102 V HA 0.790 4.910 4.120 0.000 0.000 0.295 102 V C 0.884 177.017 176.094 0.066 0.000 1.029 102 V CA -0.374 62.001 62.300 0.125 0.000 0.874 102 V CB 1.568 33.483 31.823 0.155 0.000 0.985 102 V HN 1.129 nan 8.190 nan 0.000 0.438 103 A N 5.061 127.898 122.820 0.029 0.000 2.488 103 A HA 0.549 4.869 4.320 0.000 0.000 0.249 103 A C -0.302 177.261 177.584 -0.036 0.000 1.083 103 A CA 0.068 52.106 52.037 0.000 0.000 0.768 103 A CB 0.172 19.162 19.000 -0.016 0.000 1.017 103 A HN 0.716 nan 8.150 nan 0.000 0.496 104 V N 1.630 121.517 119.914 -0.046 0.000 2.656 104 V HA 0.689 4.809 4.120 0.000 0.000 0.307 104 V C 0.218 176.149 176.094 -0.271 0.000 1.051 104 V CA 0.011 62.247 62.300 -0.107 0.000 0.893 104 V CB 1.849 33.693 31.823 0.036 0.000 0.999 104 V HN 1.256 nan 8.190 nan 0.000 0.426 105 A N 4.117 126.769 122.820 -0.280 0.000 2.763 105 A HA 0.530 4.851 4.320 0.000 0.000 0.325 105 A C -0.304 177.113 177.584 -0.278 0.000 1.209 105 A CA -0.541 51.291 52.037 -0.342 0.000 0.764 105 A CB 0.489 19.314 19.000 -0.291 0.000 1.120 105 A HN 0.540 nan 8.150 nan 0.000 0.463 106 K N 2.087 122.324 120.400 -0.271 0.000 2.297 106 K HA 0.142 4.462 4.320 0.000 0.000 0.286 106 K C -0.854 175.726 176.600 -0.033 0.000 1.053 106 K CA -0.120 56.140 56.287 -0.044 0.000 0.940 106 K CB 0.147 32.727 32.500 0.133 0.000 1.019 106 K HN 0.885 nan 8.250 nan 0.000 0.475 107 H N 2.127 121.139 119.070 -0.098 0.000 2.562 107 H HA 0.432 4.988 4.556 0.000 0.000 0.314 107 H C -0.237 175.093 175.328 0.004 0.000 1.079 107 H CA -0.475 55.488 56.048 -0.142 0.000 1.349 107 H CB 0.991 30.727 29.762 -0.043 0.000 1.432 107 H HN 0.843 nan 8.280 nan 0.000 0.479 108 G N 3.564 112.343 108.800 -0.035 0.000 2.645 108 G HA2 0.176 4.136 3.960 0.000 0.000 0.292 108 G HA3 0.176 4.136 3.960 0.000 0.000 0.292 108 G C -1.650 173.443 174.900 0.321 0.000 1.415 108 G CA -0.662 44.580 45.100 0.236 0.000 0.785 108 G HN 0.627 nan 8.290 nan 0.000 0.483 109 N N -1.169 117.773 118.700 0.403 0.000 2.934 109 N HA 0.403 5.143 4.740 0.000 0.000 0.253 109 N C -0.600 175.148 175.510 0.397 0.000 1.466 109 N CA -0.729 52.589 53.050 0.446 0.000 0.858 109 N CB 2.127 40.718 38.487 0.174 0.000 1.459 109 N HN 0.522 nan 8.380 nan 0.000 0.532 110 R N 0.061 120.811 120.500 0.417 0.000 2.637 110 R HA 0.621 4.961 4.340 0.000 0.000 0.269 110 R C -0.411 175.973 176.300 0.140 0.000 1.089 110 R CA -0.439 55.805 56.100 0.239 0.000 1.177 110 R CB 0.487 30.935 30.300 0.246 0.000 1.091 110 R HN 0.533 nan 8.270 nan 0.000 0.540 111 A N 1.027 123.902 122.820 0.091 0.000 2.303 111 A HA 0.580 4.900 4.320 0.000 0.000 0.320 111 A C -0.534 177.076 177.584 0.042 0.000 1.192 111 A CA -0.648 51.424 52.037 0.058 0.000 0.821 111 A CB 1.398 20.425 19.000 0.045 0.000 1.188 111 A HN 0.741 nan 8.150 nan 0.000 0.492 112 A N 1.935 124.772 122.820 0.029 0.000 2.354 112 A HA 0.567 4.887 4.320 0.000 0.000 0.281 112 A C 0.674 178.265 177.584 0.012 0.000 1.174 112 A CA 0.026 52.074 52.037 0.018 0.000 0.828 112 A CB 0.286 19.290 19.000 0.007 0.000 1.099 112 A HN 0.982 nan 8.150 nan 0.000 0.516 113 S N 1.255 116.962 115.700 0.011 0.000 2.952 113 S HA 0.101 4.571 4.470 0.000 0.000 0.251 113 S C 1.282 175.891 174.600 0.015 0.000 1.021 113 S CA 0.088 58.297 58.200 0.015 0.000 1.067 113 S CB 0.054 63.261 63.200 0.012 0.000 1.002 113 S HN 0.743 nan 8.310 nan 0.000 0.574 114 S N 2.052 117.761 115.700 0.014 0.000 2.520 114 S HA -0.074 4.396 4.470 0.000 0.000 0.249 114 S C 0.744 175.352 174.600 0.014 0.000 0.983 114 S CA 0.543 58.751 58.200 0.012 0.000 0.958 114 S CB -0.250 62.957 63.200 0.012 0.000 0.750 114 S HN 0.632 nan 8.310 nan 0.000 0.527 115 R N -0.515 119.996 120.500 0.020 0.000 3.301 115 R HA -0.241 4.100 4.340 0.000 0.000 0.249 115 R C 0.337 176.647 176.300 0.015 0.000 0.964 115 R CA 0.521 56.633 56.100 0.021 0.000 0.653 115 R CB -2.004 28.305 30.300 0.015 0.000 1.043 115 R HN 0.425 nan 8.270 nan 0.000 0.454 116 A N -0.289 122.544 122.820 0.020 0.000 2.606 116 A HA 0.412 4.732 4.320 0.000 0.000 0.290 116 A C 0.965 178.564 177.584 0.024 0.000 1.174 116 A CA 0.243 52.290 52.037 0.016 0.000 0.958 116 A CB 0.668 19.677 19.000 0.015 0.000 1.194 116 A HN 0.428 nan 8.150 nan 0.000 0.526 117 G N -0.410 108.413 108.800 0.039 0.000 2.599 117 G HA2 0.368 4.329 3.960 0.000 0.000 0.264 117 G HA3 0.368 4.329 3.960 0.000 0.000 0.264 117 G C 1.174 176.100 174.900 0.044 0.000 1.200 117 G CA 0.450 45.588 45.100 0.063 0.000 0.896 117 G HN 0.640 nan 8.290 nan 0.000 0.536 118 S N -0.065 115.681 115.700 0.077 0.000 2.383 118 S HA -0.123 4.347 4.470 0.000 0.000 0.229 118 S C 2.510 177.010 174.600 -0.166 0.000 1.030 118 S CA 1.566 59.768 58.200 0.004 0.000 1.002 118 S CB -0.463 62.821 63.200 0.140 0.000 0.829 118 S HN 0.981 nan 8.310 nan 0.000 0.467 119 A N 2.465 125.296 122.820 0.019 0.000 1.898 119 A HA -0.106 4.214 4.320 0.000 0.000 0.216 119 A C 2.005 179.484 177.584 -0.175 0.000 1.181 119 A CA 1.546 53.515 52.037 -0.113 0.000 0.620 119 A CB -0.788 18.255 19.000 0.071 0.000 0.819 119 A HN 0.528 nan 8.150 nan 0.000 0.442 120 D N -0.302 120.058 120.400 -0.067 0.000 2.097 120 D HA -0.147 4.494 4.640 0.000 0.000 0.195 120 D C 1.891 178.146 176.300 -0.076 0.000 0.989 120 D CA 1.503 55.470 54.000 -0.055 0.000 0.827 120 D CB -0.366 40.429 40.800 -0.008 0.000 0.966 120 D HN 0.372 nan 8.370 nan 0.000 0.456 121 L N 0.987 122.159 121.223 -0.086 0.000 2.017 121 L HA -0.111 4.230 4.340 0.000 0.000 0.208 121 L C 2.290 179.094 176.870 -0.110 0.000 1.073 121 L CA 1.383 56.173 54.840 -0.082 0.000 0.745 121 L CB -0.675 41.339 42.059 -0.074 0.000 0.894 121 L HN -0.020 nan 8.230 nan 0.000 0.432 122 L N -0.536 120.569 121.223 -0.198 0.000 2.083 122 L HA -0.212 4.128 4.340 0.000 0.000 0.209 122 L C 2.597 179.398 176.870 -0.115 0.000 1.083 122 L CA 1.637 56.361 54.840 -0.192 0.000 0.752 122 L CB -0.564 41.261 42.059 -0.391 0.000 0.899 122 L HN 0.478 nan 8.230 nan 0.000 0.433 123 E N 0.455 120.576 120.200 -0.131 0.000 2.077 123 E HA -0.236 4.114 4.350 0.000 0.000 0.193 123 E C 2.197 178.768 176.600 -0.049 0.000 0.989 123 E CA 1.136 57.484 56.400 -0.086 0.000 0.800 123 E CB 0.013 29.651 29.700 -0.102 0.000 0.746 123 E HN 0.453 nan 8.360 nan 0.000 0.452 124 A N 0.756 123.548 122.820 -0.046 0.000 2.019 124 A HA -0.083 4.237 4.320 0.000 0.000 0.219 124 A C 2.014 179.592 177.584 -0.010 0.000 1.164 124 A CA 0.803 52.825 52.037 -0.024 0.000 0.644 124 A CB -0.360 18.627 19.000 -0.022 0.000 0.805 124 A HN 0.318 nan 8.150 nan 0.000 0.449 125 L N -1.608 119.607 121.223 -0.013 0.000 2.591 125 L HA 0.221 4.561 4.340 0.000 0.000 0.228 125 L C 1.603 178.479 176.870 0.010 0.000 1.133 125 L CA 0.585 55.431 54.840 0.011 0.000 0.880 125 L CB 0.043 42.108 42.059 0.010 0.000 1.033 125 L HN 0.575 nan 8.230 nan 0.000 0.450 126 G N -0.631 108.169 108.800 -0.001 0.000 2.192 126 G HA2 -0.211 3.749 3.960 0.000 0.000 0.193 126 G HA3 -0.211 3.749 3.960 0.000 0.000 0.193 126 G C 0.160 175.060 174.900 0.001 0.000 0.999 126 G CA -0.297 44.803 45.100 -0.000 0.000 0.659 126 G HN 0.017 nan 8.290 nan 0.000 0.503 127 V N 2.054 121.976 119.914 0.012 0.000 2.508 127 V HA 0.369 4.489 4.120 0.000 0.000 0.281 127 V C 0.403 176.500 176.094 0.006 0.000 1.041 127 V CA -0.072 62.249 62.300 0.035 0.000 1.016 127 V CB 1.595 33.486 31.823 0.114 0.000 0.984 127 V HN 0.351 nan 8.190 nan 0.000 0.478 128 D N 4.723 125.123 120.400 -0.000 0.000 2.374 128 D HA 0.138 4.778 4.640 0.000 0.000 0.240 128 D C 0.969 177.289 176.300 0.032 0.000 1.229 128 D CA 0.002 54.003 54.000 0.001 0.000 0.895 128 D CB 0.840 41.634 40.800 -0.010 0.000 1.046 128 D HN 0.481 nan 8.370 nan 0.000 0.498 129 L N 2.737 123.964 121.223 0.007 0.000 2.549 129 L HA -0.055 4.285 4.340 0.000 0.000 0.229 129 L C 1.660 178.611 176.870 0.134 0.000 1.158 129 L CA 0.720 55.567 54.840 0.013 0.000 0.842 129 L CB -0.104 41.797 42.059 -0.264 0.000 0.952 129 L HN 0.412 nan 8.230 nan 0.000 0.452 130 E N 0.453 120.706 120.200 0.089 0.000 2.489 130 E HA 0.127 4.477 4.350 0.000 0.000 0.193 130 E C 0.924 177.558 176.600 0.056 0.000 1.057 130 E CA -0.183 56.268 56.400 0.085 0.000 0.866 130 E CB 0.247 29.978 29.700 0.050 0.000 0.916 130 E HN 0.395 nan 8.360 nan 0.000 0.500 131 A N 3.687 126.545 122.820 0.063 0.000 2.540 131 A HA 0.091 4.411 4.320 0.000 0.000 0.239 131 A C -1.940 175.664 177.584 0.032 0.000 1.061 131 A CA -0.961 51.103 52.037 0.044 0.000 0.758 131 A CB -0.213 18.825 19.000 0.062 0.000 0.991 131 A HN -0.019 nan 8.150 nan 0.000 0.502 132 P HA 0.157 nan 4.420 nan 0.000 0.272 132 P C -2.248 175.031 177.300 -0.035 0.000 1.223 132 P CA -1.324 61.751 63.100 -0.042 0.000 0.784 132 P CB 0.225 31.904 31.700 -0.034 0.000 0.923 133 P HA -0.210 nan 4.420 nan 0.000 0.216 133 P C 1.576 178.936 177.300 0.102 0.000 1.154 133 P CA 1.639 64.680 63.100 -0.099 0.000 0.865 133 P CB -0.053 31.452 31.700 -0.325 0.000 0.789 134 E N -0.645 119.582 120.200 0.045 0.000 2.118 134 E HA -0.277 4.073 4.350 0.000 0.000 0.195 134 E C 2.185 178.848 176.600 0.105 0.000 0.992 134 E CA 1.013 57.453 56.400 0.068 0.000 0.804 134 E CB -0.128 29.591 29.700 0.033 0.000 0.741 134 E HN -0.119 nan 8.360 nan 0.000 0.458 135 R N 0.136 120.697 120.500 0.103 0.000 2.090 135 R HA -0.050 4.290 4.340 0.000 0.000 0.228 135 R C 2.135 178.592 176.300 0.261 0.000 1.110 135 R CA 1.194 57.384 56.100 0.150 0.000 0.973 135 R CB -0.566 29.780 30.300 0.076 0.000 0.869 135 R HN 0.112 nan 8.270 nan 0.000 0.440 136 V N -0.059 119.998 119.914 0.239 0.000 2.427 136 V HA -0.090 4.030 4.120 0.000 0.000 0.248 136 V C 2.214 178.436 176.094 0.213 0.000 1.051 136 V CA 1.958 64.430 62.300 0.287 0.000 1.048 136 V CB -0.961 31.063 31.823 0.335 0.000 0.666 136 V HN 0.594 nan 8.190 nan 0.000 0.456 137 G N -0.311 108.596 108.800 0.179 0.000 2.418 137 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 137 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 137 G C 1.445 176.411 174.900 0.110 0.000 1.158 137 G CA 0.780 45.943 45.100 0.105 0.000 0.771 137 G HN 0.574 nan 8.290 nan 0.000 0.545 138 E N 0.588 120.895 120.200 0.178 0.000 2.153 138 E HA -0.019 4.332 4.350 0.000 0.000 0.194 138 E C 2.884 179.585 176.600 0.169 0.000 0.988 138 E CA 0.660 57.195 56.400 0.224 0.000 0.811 138 E CB -0.155 29.739 29.700 0.324 0.000 0.746 138 E HN 0.423 nan 8.360 nan 0.000 0.466 139 A N 1.267 124.172 122.820 0.142 0.000 1.902 139 A HA -0.162 4.158 4.320 0.000 0.000 0.217 139 A C 2.172 179.689 177.584 -0.112 0.000 1.181 139 A CA 1.010 52.895 52.037 -0.253 0.000 0.623 139 A CB -0.527 18.525 19.000 0.086 0.000 0.818 139 A HN 0.130 nan 8.150 nan 0.000 0.443 140 I N -0.240 120.319 120.570 -0.017 0.000 2.226 140 I HA -0.221 3.949 4.170 0.000 0.000 0.245 140 I C 2.440 178.541 176.117 -0.025 0.000 1.100 140 I CA 1.291 62.562 61.300 -0.047 0.000 1.374 140 I CB -0.338 37.621 38.000 -0.069 0.000 1.057 140 I HN 0.336 nan 8.210 nan 0.000 0.413 141 E N 0.814 121.016 120.200 0.003 0.000 2.072 141 E HA -0.194 4.156 4.350 0.000 0.000 0.191 141 E C 2.013 178.624 176.600 0.018 0.000 0.985 141 E CA 1.270 57.689 56.400 0.031 0.000 0.801 141 E CB -0.179 29.563 29.700 0.071 0.000 0.750 141 E HN 0.607 nan 8.360 nan 0.000 0.452 142 E N 0.226 120.419 120.200 -0.011 0.000 2.086 142 E HA 0.039 4.389 4.350 0.000 0.000 0.190 142 E C 2.132 178.691 176.600 -0.068 0.000 0.975 142 E CA 0.438 56.825 56.400 -0.022 0.000 0.813 142 E CB 0.207 29.911 29.700 0.008 0.000 0.768 142 E HN 0.153 nan 8.360 nan 0.000 0.457 143 L N -1.066 120.072 121.223 -0.141 0.000 2.556 143 L HA 0.288 4.628 4.340 0.000 0.000 0.226 143 L C 1.379 178.246 176.870 -0.005 0.000 1.089 143 L CA 0.396 55.184 54.840 -0.088 0.000 0.864 143 L CB 0.402 42.376 42.059 -0.141 0.000 1.067 143 L HN 0.287 nan 8.230 nan 0.000 0.477 144 G N 0.826 109.625 108.800 -0.002 0.000 2.143 144 G HA2 -0.330 3.631 3.960 0.000 0.000 0.249 144 G HA3 -0.330 3.631 3.960 0.000 0.000 0.249 144 G C -0.163 174.783 174.900 0.078 0.000 0.981 144 G CA 0.158 45.276 45.100 0.029 0.000 0.665 144 G HN 0.247 nan 8.290 nan 0.000 0.528 145 F N -0.006 119.871 119.950 -0.122 0.000 2.608 145 F HA 0.641 5.168 4.527 0.000 0.000 0.309 145 F C -0.068 175.588 175.800 -0.239 0.000 1.103 145 F CA 0.154 58.037 58.000 -0.194 0.000 0.954 145 F CB 1.819 40.662 39.000 -0.263 0.000 1.267 145 F HN 0.588 nan 8.300 nan 0.000 0.444 146 G N 3.761 111.828 108.800 -1.222 0.000 2.759 146 G HA2 0.493 4.453 3.960 0.000 0.000 0.297 146 G HA3 0.493 4.453 3.960 0.000 0.000 0.297 146 G C -2.643 171.725 174.900 -0.886 0.000 1.434 146 G CA -0.690 43.958 45.100 -0.754 0.000 0.980 146 G HN 0.622 nan 8.290 nan 0.000 0.531 147 F N 2.618 122.294 119.950 -0.457 0.000 2.426 147 F HA 0.660 5.187 4.527 0.000 0.000 0.348 147 F C -0.454 175.387 175.800 0.070 0.000 1.124 147 F CA -1.464 56.422 58.000 -0.190 0.000 1.008 147 F CB 1.328 40.363 39.000 0.058 0.000 1.139 147 F HN 0.263 nan 8.300 nan 0.000 0.452 148 L N 7.869 128.696 121.223 -0.661 0.000 2.270 148 L HA 0.233 4.573 4.340 0.000 0.000 0.286 148 L C -0.586 176.036 176.870 -0.413 0.000 1.059 148 L CA -0.638 53.932 54.840 -0.450 0.000 0.839 148 L CB 0.062 41.725 42.059 -0.661 0.000 1.221 148 L HN 0.508 nan 8.230 nan 0.000 0.431 149 F N 2.978 122.776 119.950 -0.254 0.000 2.471 149 F HA 0.270 4.797 4.527 0.000 0.000 0.365 149 F C 1.305 177.205 175.800 0.167 0.000 1.095 149 F CA -0.743 57.214 58.000 -0.071 0.000 1.174 149 F CB 1.077 40.174 39.000 0.163 0.000 1.105 149 F HN 0.582 nan 8.300 nan 0.000 0.535 150 A N 7.380 130.254 122.820 0.089 0.000 1.958 150 A HA -0.234 4.086 4.320 0.000 0.000 0.221 150 A C 2.389 179.865 177.584 -0.181 0.000 1.178 150 A CA 1.863 53.966 52.037 0.109 0.000 0.642 150 A CB -0.489 18.563 19.000 0.085 0.000 0.816 150 A HN 0.852 nan 8.150 nan 0.000 0.453 151 R N -0.948 119.083 120.500 -0.782 0.000 2.152 151 R HA -0.054 4.286 4.340 0.000 0.000 0.232 151 R C 1.906 177.959 176.300 -0.412 0.000 1.117 151 R CA 1.361 57.067 56.100 -0.656 0.000 0.981 151 R CB -0.428 29.305 30.300 -0.945 0.000 0.870 151 R HN 0.445 nan 8.270 nan 0.000 0.451 152 V N -0.188 119.490 119.914 -0.394 0.000 2.446 152 V HA -0.118 4.002 4.120 0.000 0.000 0.244 152 V C 1.596 177.433 176.094 -0.429 0.000 1.039 152 V CA 1.476 63.592 62.300 -0.307 0.000 1.045 152 V CB -0.302 31.372 31.823 -0.248 0.000 0.681 152 V HN 0.128 nan 8.190 nan 0.000 0.459 153 F N -1.143 118.666 119.950 -0.236 0.000 2.512 153 F HA 0.120 4.647 4.527 0.000 0.000 0.296 153 F C 1.352 176.860 175.800 -0.487 0.000 1.110 153 F CA 0.718 58.496 58.000 -0.370 0.000 1.446 153 F CB 0.050 38.751 39.000 -0.500 0.000 1.092 153 F HN 0.222 nan 8.300 nan 0.000 0.554 154 H N 0.522 119.612 119.070 0.034 0.000 2.355 154 H HA 0.211 4.768 4.556 0.000 0.000 0.232 154 H C -1.719 173.555 175.328 -0.089 0.000 1.422 154 H CA -1.723 54.316 56.048 -0.015 0.000 1.261 154 H CB -0.112 29.647 29.762 -0.005 0.000 1.595 154 H HN 0.078 nan 8.280 nan 0.000 0.529 155 P HA -0.140 nan 4.420 nan 0.000 0.218 155 P C 1.469 178.740 177.300 -0.048 0.000 1.148 155 P CA 1.026 64.097 63.100 -0.048 0.000 0.822 155 P CB 0.334 32.005 31.700 -0.047 0.000 0.784 156 A N -0.421 122.382 122.820 -0.028 0.000 2.070 156 A HA -0.121 4.199 4.320 0.000 0.000 0.220 156 A C 2.171 179.503 177.584 -0.419 0.000 1.159 156 A CA 1.544 53.527 52.037 -0.090 0.000 0.656 156 A CB -1.226 17.785 19.000 0.018 0.000 0.800 156 A HN 0.131 nan 8.150 nan 0.000 0.453 157 M N -0.254 119.179 119.600 -0.278 0.000 2.557 157 M HA -0.002 4.478 4.480 0.000 0.000 0.259 157 M C 1.794 177.872 176.300 -0.369 0.000 1.086 157 M CA 0.909 55.983 55.300 -0.377 0.000 1.096 157 M CB -0.442 31.996 32.600 -0.270 0.000 1.424 157 M HN 0.308 nan 8.290 nan 0.000 0.488 158 R N -0.202 120.137 120.500 -0.270 0.000 2.105 158 R HA -0.155 4.185 4.340 0.000 0.000 0.239 158 R C 1.995 178.214 176.300 -0.134 0.000 1.135 158 R CA 1.812 57.815 56.100 -0.162 0.000 0.967 158 R CB -1.114 29.142 30.300 -0.073 0.000 0.861 158 R HN 0.720 nan 8.270 nan 0.000 0.442 159 H N -1.157 117.865 119.070 -0.080 0.000 2.548 159 H HA 0.145 4.702 4.556 0.000 0.000 0.265 159 H C 1.550 176.823 175.328 -0.091 0.000 0.969 159 H CA 0.350 56.356 56.048 -0.070 0.000 1.155 159 H CB 0.160 29.892 29.762 -0.049 0.000 1.394 159 H HN -0.075 nan 8.280 nan 0.000 0.570 160 V N 1.033 120.743 119.914 -0.341 0.000 2.795 160 V HA 0.056 4.176 4.120 0.000 0.000 0.243 160 V C 2.991 178.915 176.094 -0.283 0.000 1.069 160 V CA 0.970 63.092 62.300 -0.297 0.000 1.089 160 V CB -0.269 31.240 31.823 -0.523 0.000 0.756 160 V HN 0.531 nan 8.190 nan 0.000 0.471 161 A N 1.098 123.746 122.820 -0.286 0.000 1.917 161 A HA -0.176 4.144 4.320 0.000 0.000 0.219 161 A C 0.468 177.973 177.584 -0.132 0.000 1.182 161 A CA 2.364 54.269 52.037 -0.220 0.000 0.633 161 A CB -1.882 17.012 19.000 -0.177 0.000 0.819 161 A HN 0.522 nan 8.150 nan 0.000 0.448 162 P HA -0.101 nan 4.420 nan 0.000 0.215 162 P C 1.606 178.881 177.300 -0.043 0.000 1.153 162 P CA 1.326 64.395 63.100 -0.051 0.000 0.853 162 P CB -0.122 31.561 31.700 -0.029 0.000 0.788 163 V N -0.042 119.846 119.914 -0.044 0.000 2.343 163 V HA -0.245 3.876 4.120 0.000 0.000 0.247 163 V C 2.421 178.500 176.094 -0.025 0.000 1.051 163 V CA 1.831 64.118 62.300 -0.022 0.000 1.036 163 V CB -1.013 30.807 31.823 -0.004 0.000 0.654 163 V HN 0.075 nan 8.190 nan 0.000 0.451 164 R N 0.419 120.885 120.500 -0.056 0.000 2.073 164 R HA -0.112 4.228 4.340 0.000 0.000 0.234 164 R C 2.468 178.745 176.300 -0.039 0.000 1.134 164 R CA 1.533 57.606 56.100 -0.045 0.000 0.952 164 R CB -0.687 29.555 30.300 -0.098 0.000 0.850 164 R HN 0.523 nan 8.270 nan 0.000 0.433 165 A N 1.094 123.884 122.820 -0.049 0.000 1.902 165 A HA -0.226 4.094 4.320 0.000 0.000 0.217 165 A C 2.053 179.622 177.584 -0.025 0.000 1.181 165 A CA 1.564 53.579 52.037 -0.037 0.000 0.623 165 A CB -0.406 18.571 19.000 -0.038 0.000 0.818 165 A HN 0.387 nan 8.150 nan 0.000 0.443 166 E N -0.260 119.927 120.200 -0.021 0.000 2.072 166 E HA -0.117 4.233 4.350 0.000 0.000 0.191 166 E C 1.905 178.498 176.600 -0.010 0.000 0.985 166 E CA 0.898 57.290 56.400 -0.013 0.000 0.801 166 E CB -0.200 29.494 29.700 -0.010 0.000 0.750 166 E HN 0.620 nan 8.360 nan 0.000 0.452 167 L N -0.439 120.779 121.223 -0.009 0.000 2.131 167 L HA -0.079 4.261 4.340 0.000 0.000 0.210 167 L C 1.760 178.623 176.870 -0.011 0.000 1.092 167 L CA 0.863 55.700 54.840 -0.005 0.000 0.759 167 L CB -0.497 41.564 42.059 0.002 0.000 0.903 167 L HN 0.491 nan 8.230 nan 0.000 0.435 168 G N 0.304 109.093 108.800 -0.018 0.000 2.203 168 G HA2 -0.256 3.705 3.960 0.000 0.000 0.263 168 G HA3 -0.256 3.705 3.960 0.000 0.000 0.263 168 G C 0.168 175.048 174.900 -0.032 0.000 1.012 168 G CA 0.481 45.566 45.100 -0.024 0.000 0.749 168 G HN 0.397 nan 8.290 nan 0.000 0.512 169 V N -4.706 115.188 119.914 -0.034 0.000 3.141 169 V HA 0.840 4.960 4.120 0.000 0.000 0.312 169 V C 0.517 176.570 176.094 -0.068 0.000 1.157 169 V CA -1.997 60.273 62.300 -0.050 0.000 1.041 169 V CB 1.435 33.240 31.823 -0.031 0.000 1.071 169 V HN 0.316 nan 8.190 nan 0.000 0.441 170 R N 1.086 121.516 120.500 -0.117 0.000 2.643 170 R HA 0.596 4.936 4.340 0.000 0.000 0.270 170 R C 0.247 176.504 176.300 -0.072 0.000 1.061 170 R CA 0.578 56.584 56.100 -0.157 0.000 1.107 170 R CB 0.914 31.003 30.300 -0.352 0.000 0.999 170 R HN 1.106 nan 8.270 nan 0.000 0.460 171 T N -2.920 111.606 114.554 -0.047 0.000 2.696 171 T HA 0.103 4.453 4.350 0.000 0.000 0.291 171 T C 0.747 175.395 174.700 -0.087 0.000 1.095 171 T CA -0.863 61.224 62.100 -0.022 0.000 1.026 171 T CB 1.021 69.926 68.868 0.062 0.000 1.390 171 T HN 0.223 nan 8.240 nan 0.000 0.513 172 V N 0.080 119.893 119.914 -0.169 0.000 2.688 172 V HA 0.001 4.121 4.120 0.000 0.000 0.256 172 V C 1.888 177.785 176.094 -0.328 0.000 1.084 172 V CA 1.694 63.814 62.300 -0.301 0.000 1.103 172 V CB -1.372 30.227 31.823 -0.373 0.000 0.688 172 V HN 0.773 nan 8.190 nan 0.000 0.480 173 F N 0.951 120.828 119.950 -0.122 0.000 2.365 173 F HA -0.070 4.457 4.527 0.000 0.000 0.300 173 F C 2.017 177.742 175.800 -0.125 0.000 1.090 173 F CA 1.845 59.771 58.000 -0.124 0.000 1.408 173 F CB -0.805 38.126 39.000 -0.116 0.000 1.060 173 F HN 0.313 nan 8.300 nan 0.000 0.534 174 N N 0.156 118.870 118.700 0.024 0.000 2.188 174 N HA -0.126 4.614 4.740 0.000 0.000 0.184 174 N C 1.805 177.286 175.510 -0.047 0.000 1.018 174 N CA 1.043 54.092 53.050 -0.001 0.000 0.858 174 N CB -0.292 38.196 38.487 0.002 0.000 0.989 174 N HN 0.208 nan 8.380 nan 0.000 0.426 175 L N -0.022 121.108 121.223 -0.155 0.000 2.109 175 L HA -0.016 4.324 4.340 0.000 0.000 0.207 175 L C 1.796 178.572 176.870 -0.156 0.000 1.086 175 L CA 0.698 55.400 54.840 -0.230 0.000 0.760 175 L CB -0.377 41.440 42.059 -0.403 0.000 0.910 175 L HN 0.192 nan 8.230 nan 0.000 0.437 176 L N -0.323 120.818 121.223 -0.136 0.000 2.217 176 L HA -0.041 4.299 4.340 0.000 0.000 0.211 176 L C 2.697 179.552 176.870 -0.026 0.000 1.107 176 L CA 0.901 55.685 54.840 -0.093 0.000 0.783 176 L CB -1.118 40.871 42.059 -0.118 0.000 0.919 176 L HN 0.285 nan 8.230 nan 0.000 0.442 177 G N 1.451 110.243 108.800 -0.012 0.000 2.553 177 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 177 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 177 G C -0.732 174.194 174.900 0.044 0.000 1.195 177 G CA 0.908 45.995 45.100 -0.021 0.000 0.779 177 G HN 0.319 nan 8.290 nan 0.000 0.577 178 P HA 0.049 nan 4.420 nan 0.000 0.223 178 P C 1.574 178.883 177.300 0.016 0.000 1.151 178 P CA 0.647 63.785 63.100 0.063 0.000 0.787 178 P CB -0.040 31.662 31.700 0.004 0.000 0.788 179 L N -1.262 119.935 121.223 -0.043 0.000 2.611 179 L HA 0.113 4.453 4.340 0.000 0.000 0.229 179 L C 0.746 177.607 176.870 -0.016 0.000 1.137 179 L CA 0.696 55.474 54.840 -0.104 0.000 0.901 179 L CB -0.711 41.278 42.059 -0.117 0.000 1.098 179 L HN 0.055 nan 8.230 nan 0.000 0.456 180 T N -4.493 110.109 114.554 0.080 0.000 3.355 180 T HA 0.090 4.440 4.350 0.000 0.000 0.276 180 T C 0.436 175.155 174.700 0.032 0.000 1.003 180 T CA -0.530 61.627 62.100 0.095 0.000 0.943 180 T CB -0.411 68.514 68.868 0.095 0.000 1.158 180 T HN 0.096 nan 8.240 nan 0.000 0.513 181 N N 3.602 122.291 118.700 -0.019 0.000 2.374 181 N HA 0.004 4.744 4.740 0.000 0.000 0.269 181 N C -1.253 174.065 175.510 -0.321 0.000 1.310 181 N CA -0.783 52.108 53.050 -0.263 0.000 0.877 181 N CB 1.251 39.740 38.487 0.003 0.000 1.096 181 N HN 0.220 nan 8.380 nan 0.000 0.484 182 P HA -0.036 nan 4.420 nan 0.000 0.234 182 P C 0.337 177.384 177.300 -0.421 0.000 1.167 182 P CA 0.624 63.432 63.100 -0.487 0.000 0.763 182 P CB 0.224 31.457 31.700 -0.778 0.000 0.835 183 A N -0.482 122.095 122.820 -0.406 0.000 2.348 183 A HA 0.515 4.835 4.320 0.000 0.000 0.224 183 A C 1.521 179.001 177.584 -0.173 0.000 1.227 183 A CA 0.513 52.377 52.037 -0.287 0.000 0.885 183 A CB -0.806 18.008 19.000 -0.310 0.000 0.933 183 A HN 0.219 nan 8.150 nan 0.000 0.506 184 G N -0.849 107.870 108.800 -0.135 0.000 2.160 184 G HA2 0.112 4.072 3.960 0.000 0.000 0.244 184 G HA3 0.112 4.072 3.960 0.000 0.000 0.244 184 G C 0.441 175.314 174.900 -0.046 0.000 1.022 184 G CA 0.278 45.342 45.100 -0.060 0.000 0.741 184 G HN 1.618 nan 8.290 nan 0.000 0.508 185 A N 0.225 122.995 122.820 -0.082 0.000 2.561 185 A HA 0.445 4.765 4.320 0.000 0.000 0.234 185 A C 1.352 178.895 177.584 -0.068 0.000 1.055 185 A CA 1.184 53.121 52.037 -0.168 0.000 0.756 185 A CB 0.282 19.068 19.000 -0.357 0.000 0.986 185 A HN 0.946 nan 8.150 nan 0.000 0.505 186 D N 0.188 120.525 120.400 -0.105 0.000 2.441 186 D HA 0.371 5.011 4.640 0.000 0.000 0.210 186 D C 0.250 176.566 176.300 0.026 0.000 1.102 186 D CA 0.706 54.732 54.000 0.044 0.000 0.840 186 D CB 0.057 40.873 40.800 0.026 0.000 0.990 186 D HN 0.614 nan 8.370 nan 0.000 0.505 187 A N -0.038 122.648 122.820 -0.224 0.000 2.355 187 A HA 0.668 4.989 4.320 0.000 0.000 0.317 187 A C -1.635 175.694 177.584 -0.425 0.000 1.094 187 A CA -0.618 51.324 52.037 -0.158 0.000 0.764 187 A CB 1.246 20.172 19.000 -0.123 0.000 1.230 187 A HN 0.087 nan 8.150 nan 0.000 0.448 188 Y N 0.033 120.330 120.300 -0.005 0.000 2.581 188 Y HA 0.576 5.126 4.550 0.000 0.000 0.345 188 Y C -0.288 175.623 175.900 0.020 0.000 1.036 188 Y CA -0.891 57.213 58.100 0.006 0.000 1.042 188 Y CB 2.634 41.100 38.460 0.009 0.000 1.289 188 Y HN 0.364 nan 8.280 nan 0.000 0.471 189 V N 3.721 123.747 119.914 0.187 0.000 2.380 189 V HA 0.305 4.425 4.120 0.000 0.000 0.272 189 V C -0.994 175.188 176.094 0.147 0.000 1.011 189 V CA -0.540 61.838 62.300 0.130 0.000 0.826 189 V CB 1.346 33.215 31.823 0.077 0.000 1.040 189 V HN 0.593 nan 8.190 nan 0.000 0.441 190 L N 4.197 125.504 121.223 0.140 0.000 2.276 190 L HA 0.825 5.166 4.340 0.000 0.000 0.286 190 L C 0.774 177.684 176.870 0.067 0.000 1.024 190 L CA -0.165 54.738 54.840 0.106 0.000 0.826 190 L CB 1.050 43.141 42.059 0.053 0.000 1.211 190 L HN 0.676 nan 8.230 nan 0.000 0.422 191 G N 4.140 112.982 108.800 0.071 0.000 2.395 191 G HA2 0.515 4.475 3.960 0.000 0.000 0.283 191 G HA3 0.515 4.475 3.960 0.000 0.000 0.283 191 G C -0.687 174.255 174.900 0.070 0.000 1.178 191 G CA -0.332 44.811 45.100 0.073 0.000 0.837 191 G HN 0.565 nan 8.290 nan 0.000 0.518 192 V N 0.608 120.574 119.914 0.087 0.000 2.864 192 V HA 0.650 4.770 4.120 0.000 0.000 0.314 192 V C 0.814 176.988 176.094 0.132 0.000 1.073 192 V CA -0.994 61.313 62.300 0.012 0.000 0.956 192 V CB 1.575 33.339 31.823 -0.097 0.000 1.023 192 V HN 0.808 nan 8.190 nan 0.000 0.435 193 F N 0.271 120.317 119.950 0.159 0.000 2.661 193 F HA 0.544 5.071 4.527 0.000 0.000 0.298 193 F C 0.645 176.555 175.800 0.184 0.000 1.137 193 F CA -0.061 58.057 58.000 0.195 0.000 1.454 193 F CB -0.491 38.572 39.000 0.105 0.000 1.103 193 F HN 0.449 nan 8.300 nan 0.000 0.577 194 S N -0.001 115.513 115.700 -0.309 0.000 2.537 194 S HA 0.314 4.784 4.470 0.000 0.000 0.270 194 S C -2.121 172.124 174.600 -0.591 0.000 1.142 194 S CA -0.945 57.008 58.200 -0.412 0.000 0.870 194 S CB 2.097 65.280 63.200 -0.028 0.000 1.112 194 S HN -0.316 nan 8.310 nan 0.000 0.466 195 P HA -0.173 nan 4.420 nan 0.000 0.218 195 P C 1.483 178.608 177.300 -0.292 0.000 1.148 195 P CA 0.921 63.781 63.100 -0.400 0.000 0.822 195 P CB 0.073 31.616 31.700 -0.262 0.000 0.784 196 E N -1.136 118.852 120.200 -0.353 0.000 2.333 196 E HA -0.191 4.159 4.350 0.000 0.000 0.198 196 E C 1.136 177.375 176.600 -0.603 0.000 1.007 196 E CA 1.061 57.181 56.400 -0.467 0.000 0.845 196 E CB -1.087 28.273 29.700 -0.568 0.000 0.766 196 E HN 0.435 nan 8.360 nan 0.000 0.507 197 W N 0.869 122.001 121.300 -0.279 0.000 3.278 197 W HA 0.323 4.983 4.660 0.000 0.000 0.308 197 W C 1.949 178.344 176.519 -0.206 0.000 1.253 197 W CA -0.575 56.608 57.345 -0.269 0.000 1.759 197 W CB 0.112 29.316 29.460 -0.428 0.000 1.093 197 W HN -0.057 nan 8.180 nan 0.000 0.648 198 L N 0.266 121.467 121.223 -0.036 0.000 1.976 198 L HA -0.241 4.099 4.340 0.000 0.000 0.209 198 L C 2.691 179.546 176.870 -0.025 0.000 1.071 198 L CA 1.723 56.543 54.840 -0.034 0.000 0.746 198 L CB -1.190 40.828 42.059 -0.068 0.000 0.890 198 L HN 0.022 nan 8.230 nan 0.000 0.432 199 A N 0.069 122.858 122.820 -0.051 0.000 1.877 199 A HA -0.100 4.220 4.320 0.000 0.000 0.216 199 A C 0.049 177.629 177.584 -0.006 0.000 1.186 199 A CA 1.627 53.641 52.037 -0.037 0.000 0.620 199 A CB -1.837 17.128 19.000 -0.059 0.000 0.822 199 A HN 0.275 nan 8.150 nan 0.000 0.443 200 P HA -0.155 nan 4.420 nan 0.000 0.215 200 P C 1.645 178.998 177.300 0.089 0.000 1.153 200 P CA 1.188 64.334 63.100 0.077 0.000 0.853 200 P CB -0.117 31.683 31.700 0.168 0.000 0.788 201 M N -1.320 118.337 119.600 0.095 0.000 2.254 201 M HA -0.017 4.463 4.480 0.000 0.000 0.265 201 M C 2.072 178.363 176.300 -0.014 0.000 1.066 201 M CA 1.509 56.824 55.300 0.025 0.000 1.123 201 M CB -1.707 30.898 32.600 0.008 0.000 1.388 201 M HN -0.104 nan 8.290 nan 0.000 0.425 202 A N -0.168 122.649 122.820 -0.004 0.000 1.930 202 A HA -0.182 4.138 4.320 0.000 0.000 0.217 202 A C 2.140 179.720 177.584 -0.006 0.000 1.175 202 A CA 1.796 53.827 52.037 -0.010 0.000 0.627 202 A CB -0.682 18.315 19.000 -0.005 0.000 0.815 202 A HN 0.569 nan 8.150 nan 0.000 0.443 203 E N -0.110 120.092 120.200 0.004 0.000 2.072 203 E HA -0.101 4.249 4.350 0.000 0.000 0.191 203 E C 2.142 178.744 176.600 0.003 0.000 0.985 203 E CA 0.915 57.321 56.400 0.010 0.000 0.801 203 E CB -0.236 29.477 29.700 0.020 0.000 0.750 203 E HN 0.534 nan 8.360 nan 0.000 0.452 204 A N 1.197 124.014 122.820 -0.005 0.000 1.908 204 A HA -0.173 4.147 4.320 0.000 0.000 0.218 204 A C 2.207 179.762 177.584 -0.048 0.000 1.181 204 A CA 1.129 53.152 52.037 -0.024 0.000 0.627 204 A CB -0.714 18.262 19.000 -0.040 0.000 0.818 204 A HN 0.318 nan 8.150 nan 0.000 0.445 205 L N -0.960 120.220 121.223 -0.072 0.000 2.012 205 L HA -0.237 4.104 4.340 0.000 0.000 0.210 205 L C 2.727 179.574 176.870 -0.038 0.000 1.073 205 L CA 2.011 56.792 54.840 -0.099 0.000 0.748 205 L CB -0.480 41.512 42.059 -0.112 0.000 0.891 205 L HN 0.610 nan 8.230 nan 0.000 0.431 206 E N 0.227 120.419 120.200 -0.014 0.000 2.077 206 E HA -0.247 4.103 4.350 0.000 0.000 0.193 206 E C 2.306 178.909 176.600 0.005 0.000 0.989 206 E CA 1.144 57.546 56.400 0.004 0.000 0.800 206 E CB 0.091 29.798 29.700 0.011 0.000 0.746 206 E HN 0.348 nan 8.360 nan 0.000 0.452 207 R N -0.159 120.343 120.500 0.002 0.000 2.152 207 R HA -0.062 4.279 4.340 0.000 0.000 0.232 207 R C 2.096 178.398 176.300 0.003 0.000 1.117 207 R CA 0.826 56.930 56.100 0.007 0.000 0.981 207 R CB -0.082 30.227 30.300 0.015 0.000 0.870 207 R HN 0.264 nan 8.270 nan 0.000 0.451 208 L N -0.518 120.701 121.223 -0.006 0.000 2.591 208 L HA 0.191 4.531 4.340 0.000 0.000 0.228 208 L C 0.989 177.865 176.870 0.011 0.000 1.133 208 L CA 0.264 55.102 54.840 -0.003 0.000 0.880 208 L CB 0.314 42.358 42.059 -0.025 0.000 1.033 208 L HN 0.421 nan 8.230 nan 0.000 0.450 209 G N 0.203 109.012 108.800 0.014 0.000 2.143 209 G HA2 -0.241 3.720 3.960 0.000 0.000 0.248 209 G HA3 -0.241 3.720 3.960 0.000 0.000 0.248 209 G C 0.249 175.175 174.900 0.045 0.000 0.991 209 G CA 0.157 45.272 45.100 0.025 0.000 0.689 209 G HN 0.505 nan 8.290 nan 0.000 0.522 210 A N -0.429 122.423 122.820 0.053 0.000 2.261 210 A HA 1.038 5.358 4.320 0.000 0.000 0.323 210 A C 0.477 178.119 177.584 0.096 0.000 1.107 210 A CA 0.188 52.294 52.037 0.115 0.000 0.883 210 A CB 0.945 20.045 19.000 0.167 0.000 1.251 210 A HN 1.387 nan 8.150 nan 0.000 0.502 211 R N -1.092 119.494 120.500 0.143 0.000 2.831 211 R HA 0.854 5.194 4.340 0.000 0.000 0.266 211 R C 0.103 176.483 176.300 0.134 0.000 1.051 211 R CA -0.278 55.880 56.100 0.096 0.000 0.943 211 R CB 0.937 31.262 30.300 0.043 0.000 1.228 211 R HN 2.264 nan 8.270 nan 0.000 0.467 212 G N -0.098 108.754 108.800 0.087 0.000 2.280 212 G HA2 0.152 4.112 3.960 0.000 0.000 0.277 212 G HA3 0.152 4.112 3.960 0.000 0.000 0.277 212 G C -2.044 172.929 174.900 0.121 0.000 1.288 212 G CA -0.719 44.443 45.100 0.103 0.000 1.075 212 G HN 0.388 nan 8.290 nan 0.000 0.480 213 L N 0.060 121.365 121.223 0.137 0.000 2.346 213 L HA 0.729 5.069 4.340 0.000 0.000 0.276 213 L C 0.326 177.240 176.870 0.073 0.000 1.006 213 L CA -0.867 54.037 54.840 0.108 0.000 0.817 213 L CB 1.877 44.020 42.059 0.140 0.000 1.272 213 L HN 0.564 nan 8.230 nan 0.000 0.421 214 V N 3.610 123.538 119.914 0.024 0.000 2.394 214 V HA 0.730 4.851 4.120 0.000 0.000 0.282 214 V C -0.130 175.965 176.094 0.001 0.000 1.031 214 V CA -0.684 61.624 62.300 0.014 0.000 0.881 214 V CB 1.758 33.577 31.823 -0.007 0.000 0.982 214 V HN 0.573 nan 8.190 nan 0.000 0.451 215 V N 2.142 122.074 119.914 0.031 0.000 3.001 215 V HA 0.850 4.970 4.120 0.000 0.000 0.314 215 V C -1.074 175.082 176.094 0.103 0.000 1.099 215 V CA -0.746 61.579 62.300 0.040 0.000 0.989 215 V CB 2.126 33.971 31.823 0.036 0.000 1.040 215 V HN 0.983 nan 8.190 nan 0.000 0.434 216 H N 0.909 119.971 119.070 -0.013 0.000 3.042 216 H HA 0.717 5.273 4.556 0.000 0.000 0.345 216 H C -0.286 175.047 175.328 0.009 0.000 1.052 216 H CA 0.369 56.417 56.048 0.001 0.000 1.311 216 H CB 1.886 31.642 29.762 -0.011 0.000 1.810 216 H HN 1.242 nan 8.280 nan 0.000 0.505 217 G N 3.447 111.949 108.800 -0.498 0.000 2.955 217 G HA2 0.349 4.309 3.960 0.000 0.000 0.336 217 G HA3 0.349 4.309 3.960 0.000 0.000 0.336 217 G C -0.755 173.938 174.900 -0.344 0.000 1.264 217 G CA -0.702 44.213 45.100 -0.308 0.000 1.096 217 G HN 0.867 nan 8.290 nan 0.000 0.486 218 E N 0.767 120.814 120.200 -0.256 0.000 2.199 218 E HA -0.296 4.054 4.350 0.000 0.000 0.208 218 E C 1.461 178.007 176.600 -0.090 0.000 1.310 218 E CA 0.818 57.160 56.400 -0.097 0.000 0.709 218 E CB -1.238 28.438 29.700 -0.040 0.000 1.127 218 E HN 1.563 nan 8.360 nan 0.000 0.354 219 G N -1.386 107.325 108.800 -0.149 0.000 2.279 219 G HA2 -0.256 3.704 3.960 0.000 0.000 0.223 219 G HA3 -0.256 3.704 3.960 0.000 0.000 0.223 219 G C 0.341 175.260 174.900 0.032 0.000 1.015 219 G CA 0.060 45.209 45.100 0.082 0.000 0.621 219 G HN 0.996 nan 8.290 nan 0.000 0.506 220 A N 0.903 123.620 122.820 -0.171 0.000 2.293 220 A HA 0.591 4.911 4.320 0.000 0.000 0.302 220 A C 0.652 178.205 177.584 -0.053 0.000 1.119 220 A CA 0.546 52.548 52.037 -0.059 0.000 0.823 220 A CB 0.532 19.500 19.000 -0.054 0.000 1.097 220 A HN 0.730 nan 8.150 nan 0.000 0.491 221 D N 0.565 121.012 120.400 0.077 0.000 3.060 221 D HA 0.131 4.771 4.640 0.000 0.000 0.245 221 D C -0.038 176.300 176.300 0.062 0.000 1.274 221 D CA 0.014 54.085 54.000 0.119 0.000 0.864 221 D CB -0.347 40.553 40.800 0.167 0.000 1.073 221 D HN 0.711 nan 8.370 nan 0.000 0.473 222 E N -0.928 119.279 120.200 0.012 0.000 2.423 222 E HA 0.365 4.715 4.350 0.000 0.000 0.280 222 E C -1.153 175.438 176.600 -0.015 0.000 1.030 222 E CA -1.072 55.336 56.400 0.013 0.000 0.812 222 E CB 0.635 30.345 29.700 0.017 0.000 1.313 222 E HN -0.044 nan 8.360 nan 0.000 0.456 223 L N 1.866 123.090 121.223 0.002 0.000 2.410 223 L HA 0.371 4.711 4.340 0.000 0.000 0.273 223 L C 0.245 177.108 176.870 -0.011 0.000 1.152 223 L CA -0.363 54.475 54.840 -0.003 0.000 0.855 223 L CB 0.849 42.919 42.059 0.018 0.000 1.129 223 L HN 0.536 nan 8.230 nan 0.000 0.463 224 V N 1.626 121.527 119.914 -0.021 0.000 3.181 224 V HA 0.446 4.566 4.120 0.000 0.000 0.314 224 V C 0.038 176.127 176.094 -0.008 0.000 1.173 224 V CA -1.075 61.214 62.300 -0.019 0.000 1.052 224 V CB 1.942 33.744 31.823 -0.035 0.000 1.123 224 V HN 0.557 nan 8.190 nan 0.000 0.454 225 L N 2.051 123.271 121.223 -0.005 0.000 2.727 225 L HA 0.692 5.033 4.340 0.000 0.000 0.237 225 L C 0.721 177.591 176.870 0.001 0.000 1.370 225 L CA 0.637 55.477 54.840 0.001 0.000 1.248 225 L CB -0.860 41.200 42.059 0.002 0.000 1.556 225 L HN 1.058 nan 8.230 nan 0.000 0.420 226 G N -0.298 108.502 108.800 -0.000 0.000 2.871 226 G HA2 0.172 4.132 3.960 0.000 0.000 0.282 226 G HA3 0.172 4.132 3.960 0.000 0.000 0.282 226 G C -1.197 173.707 174.900 0.008 0.000 1.212 226 G CA -0.449 44.653 45.100 0.002 0.000 0.812 226 G HN 0.154 nan 8.290 nan 0.000 0.547 227 E N 1.424 121.631 120.200 0.011 0.000 1.814 227 E HA 0.139 4.490 4.350 0.000 0.000 0.264 227 E C -0.299 176.313 176.600 0.021 0.000 1.179 227 E CA -0.399 56.014 56.400 0.022 0.000 0.972 227 E CB -0.412 29.303 29.700 0.026 0.000 1.077 227 E HN 0.300 nan 8.360 nan 0.000 0.417 228 N N 3.408 122.121 118.700 0.021 0.000 2.525 228 N HA 0.173 4.914 4.740 0.000 0.000 0.271 228 N C -0.412 175.117 175.510 0.031 0.000 1.194 228 N CA -0.130 52.930 53.050 0.016 0.000 0.964 228 N CB 0.817 39.313 38.487 0.015 0.000 1.126 228 N HN 0.320 nan 8.380 nan 0.000 0.452 229 R N 1.034 121.558 120.500 0.040 0.000 2.445 229 R HA 0.567 4.907 4.340 0.000 0.000 0.308 229 R C -0.649 175.622 176.300 -0.048 0.000 0.961 229 R CA -0.768 55.341 56.100 0.014 0.000 0.862 229 R CB 1.289 31.623 30.300 0.055 0.000 1.144 229 R HN 0.266 nan 8.270 nan 0.000 0.447 230 V N 2.005 121.804 119.914 -0.191 0.000 2.962 230 V HA 0.550 4.670 4.120 0.000 0.000 0.313 230 V C -0.616 175.233 176.094 -0.407 0.000 1.099 230 V CA -0.886 61.220 62.300 -0.323 0.000 0.971 230 V CB 2.945 34.440 31.823 -0.546 0.000 1.028 230 V HN 0.385 nan 8.190 nan 0.000 0.430 231 V N 2.376 122.127 119.914 -0.272 0.000 2.488 231 V HA 0.388 4.508 4.120 0.000 0.000 0.293 231 V C -0.365 175.665 176.094 -0.107 0.000 1.027 231 V CA -0.481 61.708 62.300 -0.185 0.000 0.862 231 V CB 1.623 33.394 31.823 -0.088 0.000 1.008 231 V HN 0.959 nan 8.190 nan 0.000 0.428 232 E N 3.778 123.947 120.200 -0.053 0.000 2.197 232 E HA 0.481 4.831 4.350 0.000 0.000 0.281 232 E C -0.634 176.023 176.600 0.094 0.000 0.995 232 E CA -0.597 55.858 56.400 0.093 0.000 0.808 232 E CB 1.847 31.723 29.700 0.293 0.000 1.093 232 E HN 0.484 nan 8.360 nan 0.000 0.394 233 V N 4.710 124.671 119.914 0.077 0.000 2.509 233 V HA 0.139 4.259 4.120 0.000 0.000 0.297 233 V C 1.414 177.550 176.094 0.070 0.000 1.014 233 V CA 1.668 64.004 62.300 0.059 0.000 1.127 233 V CB 0.397 32.249 31.823 0.048 0.000 0.925 233 V HN 1.096 nan 8.190 nan 0.000 0.480 234 G N 4.429 113.266 108.800 0.062 0.000 2.176 234 G HA2 -0.219 3.741 3.960 0.000 0.000 0.253 234 G HA3 -0.219 3.741 3.960 0.000 0.000 0.253 234 G C 0.811 175.761 174.900 0.083 0.000 0.979 234 G CA 0.389 45.526 45.100 0.062 0.000 0.641 234 G HN 0.596 nan 8.290 nan 0.000 0.530 235 K N -0.411 120.058 120.400 0.114 0.000 2.504 235 K HA 0.487 4.807 4.320 0.000 0.000 0.203 235 K C 1.302 177.993 176.600 0.153 0.000 1.350 235 K CA 1.319 57.694 56.287 0.147 0.000 0.953 235 K CB 0.926 33.561 32.500 0.225 0.000 1.243 235 K HN 1.691 nan 8.250 nan 0.000 0.534 236 G N 1.242 110.120 108.800 0.131 0.000 2.500 236 G HA2 0.011 3.971 3.960 0.000 0.000 0.209 236 G HA3 0.011 3.971 3.960 0.000 0.000 0.209 236 G C -1.084 173.864 174.900 0.079 0.000 1.283 236 G CA -0.467 44.690 45.100 0.095 0.000 0.960 236 G HN 0.350 nan 8.290 nan 0.000 0.528 237 A N -0.214 122.635 122.820 0.049 0.000 2.327 237 A HA 0.995 5.315 4.320 0.000 0.000 0.283 237 A C -0.330 177.317 177.584 0.105 0.000 1.127 237 A CA 0.760 52.783 52.037 -0.024 0.000 0.810 237 A CB 0.589 19.573 19.000 -0.026 0.000 1.066 237 A HN 2.305 nan 8.150 nan 0.000 0.492 238 Y N -2.059 118.254 120.300 0.021 0.000 2.702 238 Y HA 0.668 5.218 4.550 0.000 0.000 0.336 238 Y C -0.376 175.536 175.900 0.019 0.000 1.203 238 Y CA -0.970 57.140 58.100 0.017 0.000 1.072 238 Y CB 0.497 38.966 38.460 0.015 0.000 1.327 238 Y HN 0.980 nan 8.280 nan 0.000 0.456 239 A N 1.838 124.812 122.820 0.256 0.000 2.293 239 A HA 0.773 5.093 4.320 0.000 0.000 0.302 239 A C -1.642 176.087 177.584 0.240 0.000 1.119 239 A CA -0.633 51.499 52.037 0.159 0.000 0.823 239 A CB 1.245 20.304 19.000 0.098 0.000 1.097 239 A HN 1.061 nan 8.150 nan 0.000 0.491 240 L N 1.865 123.180 121.223 0.153 0.000 2.404 240 L HA 0.629 4.970 4.340 0.000 0.000 0.272 240 L C 0.157 177.071 176.870 0.073 0.000 0.980 240 L CA 0.201 55.127 54.840 0.142 0.000 0.836 240 L CB 1.829 43.986 42.059 0.164 0.000 1.238 240 L HN 0.889 nan 8.230 nan 0.000 0.408 241 T N 1.863 116.449 114.554 0.053 0.000 2.940 241 T HA 0.631 4.981 4.350 0.000 0.000 0.288 241 T C -2.290 172.424 174.700 0.023 0.000 1.033 241 T CA -1.926 60.194 62.100 0.032 0.000 1.033 241 T CB 1.734 70.617 68.868 0.025 0.000 1.079 241 T HN 0.397 nan 8.240 nan 0.000 0.496 242 P HA -0.106 nan 4.420 nan 0.000 0.216 242 P C 1.733 179.039 177.300 0.010 0.000 1.153 242 P CA 0.907 64.015 63.100 0.014 0.000 0.848 242 P CB 0.066 31.773 31.700 0.011 0.000 0.787 243 E N 1.341 121.546 120.200 0.008 0.000 2.160 243 E HA -0.243 4.107 4.350 0.000 0.000 0.195 243 E C 1.553 178.153 176.600 0.000 0.000 0.991 243 E CA 1.426 57.829 56.400 0.004 0.000 0.810 243 E CB -1.018 28.684 29.700 0.004 0.000 0.742 243 E HN 0.513 nan 8.360 nan 0.000 0.466 244 E N 1.580 121.780 120.200 -0.000 0.000 2.482 244 E HA -0.042 4.308 4.350 0.000 0.000 0.196 244 E C 1.550 178.141 176.600 -0.015 0.000 1.047 244 E CA 0.988 57.382 56.400 -0.010 0.000 0.869 244 E CB 0.097 29.789 29.700 -0.014 0.000 0.836 244 E HN 0.267 nan 8.360 nan 0.000 0.520 245 V N -3.384 116.527 119.914 -0.005 0.000 3.070 245 V HA 0.545 4.666 4.120 0.000 0.000 0.345 245 V C 0.996 177.092 176.094 0.003 0.000 1.403 245 V CA -0.127 62.171 62.300 -0.004 0.000 1.155 245 V CB 0.053 31.878 31.823 0.003 0.000 1.140 245 V HN 0.235 nan 8.190 nan 0.000 0.505 246 G N 0.944 109.745 108.800 0.002 0.000 2.143 246 G HA2 -0.219 3.741 3.960 0.000 0.000 0.248 246 G HA3 -0.219 3.741 3.960 0.000 0.000 0.248 246 G C -0.205 174.699 174.900 0.007 0.000 0.991 246 G CA 0.630 45.732 45.100 0.004 0.000 0.689 246 G HN 0.612 nan 8.290 nan 0.000 0.522 247 L N -0.798 120.430 121.223 0.008 0.000 2.322 247 L HA 0.654 4.994 4.340 0.000 0.000 0.269 247 L C 0.558 177.432 176.870 0.007 0.000 1.012 247 L CA -1.197 53.648 54.840 0.010 0.000 0.815 247 L CB 1.577 43.644 42.059 0.013 0.000 1.295 247 L HN -0.037 nan 8.230 nan 0.000 0.438 248 K N 1.099 121.503 120.400 0.007 0.000 2.110 248 K HA 0.489 4.809 4.320 0.000 0.000 0.263 248 K C -0.632 175.971 176.600 0.005 0.000 0.975 248 K CA -0.848 55.442 56.287 0.005 0.000 0.895 248 K CB 1.436 33.938 32.500 0.004 0.000 1.060 248 K HN 0.443 nan 8.250 nan 0.000 0.448 249 R N 0.606 121.109 120.500 0.005 0.000 2.615 249 R HA 0.460 4.800 4.340 0.000 0.000 0.270 249 R C -0.427 175.876 176.300 0.003 0.000 1.081 249 R CA -0.306 55.797 56.100 0.005 0.000 1.154 249 R CB 0.992 31.295 30.300 0.005 0.000 1.063 249 R HN 0.676 nan 8.270 nan 0.000 0.519 250 A N 2.501 125.322 122.820 0.003 0.000 2.594 250 A HA 0.506 4.826 4.320 0.000 0.000 0.295 250 A C -2.586 174.998 177.584 0.001 0.000 1.071 250 A CA -1.481 50.557 52.037 0.002 0.000 0.685 250 A CB 1.597 20.598 19.000 0.001 0.000 1.285 250 A HN 0.514 nan 8.150 nan 0.000 0.405 251 P HA 0.213 nan 4.420 nan 0.000 0.272 251 P C 0.744 178.044 177.300 -0.000 0.000 1.223 251 P CA -0.253 62.848 63.100 0.001 0.000 0.784 251 P CB 0.681 32.382 31.700 0.002 0.000 0.923 252 L N 0.661 121.884 121.223 -0.001 0.000 2.127 252 L HA -0.223 4.117 4.340 0.000 0.000 0.211 252 L C 2.521 179.391 176.870 -0.000 0.000 1.089 252 L CA 1.610 56.448 54.840 -0.003 0.000 0.757 252 L CB -0.715 41.342 42.059 -0.004 0.000 0.899 252 L HN 0.446 nan 8.230 nan 0.000 0.434 253 E N 0.635 120.836 120.200 0.001 0.000 2.160 253 E HA -0.228 4.122 4.350 0.000 0.000 0.195 253 E C 2.037 178.637 176.600 0.001 0.000 0.991 253 E CA 1.379 57.781 56.400 0.002 0.000 0.810 253 E CB -0.079 29.623 29.700 0.003 0.000 0.742 253 E HN 0.415 nan 8.360 nan 0.000 0.466 254 A N -0.298 122.522 122.820 0.000 0.000 2.168 254 A HA 0.003 4.323 4.320 0.000 0.000 0.215 254 A C 1.756 179.340 177.584 -0.001 0.000 1.152 254 A CA 0.761 52.797 52.037 -0.001 0.000 0.716 254 A CB -0.220 18.780 19.000 -0.001 0.000 0.794 254 A HN 0.320 nan 8.150 nan 0.000 0.465 255 L N -1.525 119.697 121.223 -0.001 0.000 2.693 255 L HA 0.111 4.452 4.340 0.000 0.000 0.235 255 L C 1.971 178.842 176.870 0.001 0.000 1.127 255 L CA -0.152 54.688 54.840 -0.001 0.000 0.914 255 L CB -0.100 41.959 42.059 -0.001 0.000 1.193 255 L HN 0.185 nan 8.230 nan 0.000 0.502 256 K N 1.289 121.690 120.400 0.001 0.000 1.978 256 K HA -0.036 4.284 4.320 0.000 0.000 0.214 256 K C 1.340 177.942 176.600 0.002 0.000 1.049 256 K CA 1.318 57.607 56.287 0.003 0.000 0.939 256 K CB -0.260 32.242 32.500 0.003 0.000 0.721 256 K HN 0.374 nan 8.250 nan 0.000 0.441 257 G N -0.711 108.089 108.800 -0.000 0.000 2.498 257 G HA2 -0.195 3.765 3.960 0.000 0.000 0.245 257 G HA3 -0.195 3.765 3.960 0.000 0.000 0.245 257 G C 0.271 175.171 174.900 -0.001 0.000 1.204 257 G CA 0.225 45.324 45.100 -0.001 0.000 0.933 257 G HN 0.728 nan 8.290 nan 0.000 0.574 258 G N -1.713 107.087 108.800 -0.001 0.000 2.726 258 G HA2 0.775 4.735 3.960 0.000 0.000 0.198 258 G HA3 0.775 4.735 3.960 0.000 0.000 0.198 258 G C 0.500 175.400 174.900 0.000 0.000 1.195 258 G CA 0.767 45.867 45.100 -0.000 0.000 0.951 258 G HN 2.069 nan 8.290 nan 0.000 0.532 259 G N -0.000 108.799 108.800 -0.001 0.000 2.636 259 G HA2 0.450 4.410 3.960 0.000 0.000 0.246 259 G HA3 0.450 4.410 3.960 0.000 0.000 0.246 259 G C -1.202 173.697 174.900 -0.002 0.000 1.216 259 G CA -0.290 44.810 45.100 -0.000 0.000 0.854 259 G HN 0.278 nan 8.290 nan 0.000 0.572 260 P HA -0.145 nan 4.420 nan 0.000 0.216 260 P C 1.500 178.796 177.300 -0.005 0.000 1.153 260 P CA 1.740 64.838 63.100 -0.003 0.000 0.858 260 P CB 0.195 31.894 31.700 -0.002 0.000 0.789 261 E N 0.219 120.416 120.200 -0.004 0.000 2.051 261 E HA -0.203 4.147 4.350 0.000 0.000 0.192 261 E C 1.858 178.454 176.600 -0.006 0.000 0.991 261 E CA 1.347 57.744 56.400 -0.005 0.000 0.799 261 E CB -1.370 28.328 29.700 -0.003 0.000 0.748 261 E HN 0.346 nan 8.360 nan 0.000 0.449 262 E N 0.404 120.600 120.200 -0.006 0.000 2.110 262 E HA -0.131 4.219 4.350 0.000 0.000 0.193 262 E C 1.695 178.289 176.600 -0.010 0.000 0.988 262 E CA 1.096 57.492 56.400 -0.008 0.000 0.804 262 E CB -0.121 29.575 29.700 -0.007 0.000 0.745 262 E HN 0.233 nan 8.360 nan 0.000 0.458 263 N N 0.480 119.175 118.700 -0.009 0.000 2.331 263 N HA -0.064 4.677 4.740 0.000 0.000 0.180 263 N C 1.540 177.042 175.510 -0.012 0.000 1.019 263 N CA 1.024 54.068 53.050 -0.010 0.000 0.881 263 N CB -0.257 38.225 38.487 -0.008 0.000 0.972 263 N HN 0.126 nan 8.380 nan 0.000 0.435 264 A N 1.009 123.822 122.820 -0.010 0.000 1.877 264 A HA -0.006 4.314 4.320 0.000 0.000 0.216 264 A C 2.328 179.908 177.584 -0.008 0.000 1.186 264 A CA 1.983 54.016 52.037 -0.007 0.000 0.620 264 A CB -0.912 18.085 19.000 -0.004 0.000 0.822 264 A HN 0.297 nan 8.150 nan 0.000 0.443 265 A N -0.645 122.167 122.820 -0.014 0.000 1.930 265 A HA 0.007 4.327 4.320 0.000 0.000 0.217 265 A C 2.205 179.767 177.584 -0.037 0.000 1.175 265 A CA 1.357 53.379 52.037 -0.025 0.000 0.627 265 A CB -0.568 18.418 19.000 -0.023 0.000 0.815 265 A HN 0.489 nan 8.150 nan 0.000 0.443 266 L N -0.685 120.521 121.223 -0.028 0.000 1.989 266 L HA -0.244 4.096 4.340 0.000 0.000 0.211 266 L C 3.065 179.915 176.870 -0.033 0.000 1.071 266 L CA 1.399 56.222 54.840 -0.029 0.000 0.749 266 L CB -0.436 41.612 42.059 -0.019 0.000 0.890 266 L HN 0.454 nan 8.230 nan 0.000 0.431 267 A N -0.363 122.444 122.820 -0.023 0.000 1.908 267 A HA -0.248 4.072 4.320 0.000 0.000 0.218 267 A C 2.297 179.868 177.584 -0.023 0.000 1.181 267 A CA 1.685 53.713 52.037 -0.015 0.000 0.627 267 A CB -0.540 18.457 19.000 -0.005 0.000 0.818 267 A HN 0.380 nan 8.150 nan 0.000 0.445 268 R N -0.830 119.644 120.500 -0.043 0.000 2.073 268 R HA -0.095 4.245 4.340 0.000 0.000 0.234 268 R C 2.499 178.658 176.300 -0.236 0.000 1.134 268 R CA 1.607 57.619 56.100 -0.147 0.000 0.952 268 R CB -0.311 29.896 30.300 -0.156 0.000 0.850 268 R HN 0.497 nan 8.270 nan 0.000 0.433 269 R N 0.437 120.845 120.500 -0.153 0.000 2.096 269 R HA -0.104 4.236 4.340 0.000 0.000 0.235 269 R C 2.362 178.603 176.300 -0.099 0.000 1.127 269 R CA 1.104 57.124 56.100 -0.133 0.000 0.968 269 R CB -0.336 29.913 30.300 -0.086 0.000 0.861 269 R HN 0.229 nan 8.270 nan 0.000 0.440 270 L N 0.477 121.659 121.223 -0.068 0.000 2.005 270 L HA -0.165 4.175 4.340 0.000 0.000 0.207 270 L C 2.348 179.199 176.870 -0.032 0.000 1.072 270 L CA 1.199 56.015 54.840 -0.040 0.000 0.744 270 L CB -0.360 41.685 42.059 -0.024 0.000 0.895 270 L HN 0.171 nan 8.230 nan 0.000 0.433 271 L N -0.431 120.777 121.223 -0.025 0.000 2.191 271 L HA -0.200 4.140 4.340 0.000 0.000 0.212 271 L C 2.281 179.161 176.870 0.017 0.000 1.103 271 L CA 1.196 56.051 54.840 0.025 0.000 0.769 271 L CB -0.409 41.722 42.059 0.120 0.000 0.908 271 L HN 0.233 nan 8.230 nan 0.000 0.438 272 K N -0.068 120.270 120.400 -0.103 0.000 2.418 272 K HA 0.097 4.417 4.320 0.000 0.000 0.195 272 K C 1.201 177.769 176.600 -0.053 0.000 1.035 272 K CA 0.601 56.816 56.287 -0.119 0.000 1.003 272 K CB 0.184 32.515 32.500 -0.281 0.000 0.793 272 K HN 0.383 nan 8.250 nan 0.000 0.494 273 G N 1.901 110.677 108.800 -0.040 0.000 2.137 273 G HA2 -0.275 3.685 3.960 0.000 0.000 0.237 273 G HA3 -0.275 3.685 3.960 0.000 0.000 0.237 273 G C 0.416 175.298 174.900 -0.031 0.000 1.002 273 G CA 0.470 45.557 45.100 -0.022 0.000 0.702 273 G HN 0.439 nan 8.290 nan 0.000 0.515 274 E N -0.458 119.712 120.200 -0.050 0.000 2.127 274 E HA 0.094 4.444 4.350 0.000 0.000 0.191 274 E C 1.044 177.622 176.600 -0.036 0.000 0.964 274 E CA 0.488 56.860 56.400 -0.047 0.000 0.832 274 E CB 0.167 29.826 29.700 -0.068 0.000 0.790 274 E HN 0.457 nan 8.360 nan 0.000 0.465 275 E N 1.720 121.897 120.200 -0.038 0.000 2.257 275 E HA -0.016 4.334 4.350 0.000 0.000 0.278 275 E C 0.043 176.633 176.600 -0.018 0.000 1.049 275 E CA 0.171 56.554 56.400 -0.028 0.000 0.876 275 E CB 0.541 30.223 29.700 -0.030 0.000 1.035 275 E HN -0.159 nan 8.360 nan 0.000 0.419 276 K N 3.279 123.671 120.400 -0.013 0.000 2.413 276 K HA 0.248 4.568 4.320 0.000 0.000 0.204 276 K C 0.646 177.243 176.600 -0.005 0.000 1.041 276 K CA 0.139 56.421 56.287 -0.008 0.000 1.082 276 K CB 1.089 33.585 32.500 -0.007 0.000 0.871 276 K HN 0.591 nan 8.250 nan 0.000 0.535 277 G N 2.126 110.922 108.800 -0.006 0.000 2.489 277 G HA2 0.077 4.037 3.960 0.000 0.000 0.271 277 G HA3 0.077 4.037 3.960 0.000 0.000 0.271 277 G C -1.703 173.196 174.900 -0.002 0.000 1.427 277 G CA -0.736 44.361 45.100 -0.004 0.000 1.057 277 G HN -0.140 nan 8.290 nan 0.000 0.532 278 P HA -0.077 nan 4.420 nan 0.000 0.217 278 P C 2.120 179.420 177.300 0.001 0.000 1.148 278 P CA 0.814 63.914 63.100 0.001 0.000 0.828 278 P CB 0.054 31.754 31.700 -0.000 0.000 0.783 279 L N -1.241 119.981 121.223 -0.002 0.000 2.046 279 L HA -0.200 4.140 4.340 0.000 0.000 0.208 279 L C 2.438 179.308 176.870 -0.000 0.000 1.077 279 L CA 1.644 56.483 54.840 -0.002 0.000 0.747 279 L CB -1.088 40.968 42.059 -0.005 0.000 0.896 279 L HN -0.027 nan 8.230 nan 0.000 0.432 280 A N -0.393 122.426 122.820 -0.001 0.000 1.930 280 A HA -0.206 4.114 4.320 0.000 0.000 0.217 280 A C 1.925 179.514 177.584 0.009 0.000 1.175 280 A CA 1.781 53.820 52.037 0.003 0.000 0.627 280 A CB -0.426 18.574 19.000 0.001 0.000 0.815 280 A HN 0.349 nan 8.150 nan 0.000 0.443 281 D N 0.207 120.612 120.400 0.009 0.000 2.117 281 D HA -0.045 4.595 4.640 0.000 0.000 0.198 281 D C 2.206 178.515 176.300 0.014 0.000 0.982 281 D CA 1.487 55.495 54.000 0.013 0.000 0.828 281 D CB -0.398 40.408 40.800 0.010 0.000 0.967 281 D HN 0.424 nan 8.370 nan 0.000 0.464 282 A N 0.622 123.448 122.820 0.009 0.000 1.930 282 A HA -0.097 4.223 4.320 0.000 0.000 0.217 282 A C 2.515 180.104 177.584 0.010 0.000 1.175 282 A CA 0.909 52.952 52.037 0.009 0.000 0.627 282 A CB -0.591 18.412 19.000 0.005 0.000 0.815 282 A HN 0.134 nan 8.150 nan 0.000 0.443 283 V N -0.229 119.690 119.914 0.008 0.000 2.358 283 V HA -0.209 3.911 4.120 0.000 0.000 0.246 283 V C 3.038 179.137 176.094 0.009 0.000 1.047 283 V CA 1.813 64.115 62.300 0.004 0.000 1.035 283 V CB -1.064 30.760 31.823 0.001 0.000 0.658 283 V HN 0.600 nan 8.190 nan 0.000 0.452 284 A N -0.222 122.612 122.820 0.023 0.000 1.933 284 A HA -0.187 4.133 4.320 0.000 0.000 0.218 284 A C 2.143 179.756 177.584 0.048 0.000 1.175 284 A CA 1.990 54.053 52.037 0.044 0.000 0.628 284 A CB -0.532 18.497 19.000 0.049 0.000 0.814 284 A HN 0.449 nan 8.150 nan 0.000 0.444 285 L N -0.211 121.033 121.223 0.035 0.000 2.017 285 L HA -0.053 4.287 4.340 0.000 0.000 0.208 285 L C 2.645 179.537 176.870 0.036 0.000 1.073 285 L CA 2.336 57.198 54.840 0.038 0.000 0.745 285 L CB -0.888 41.189 42.059 0.029 0.000 0.894 285 L HN 0.323 nan 8.230 nan 0.000 0.432 286 A N -0.599 122.232 122.820 0.019 0.000 1.898 286 A HA -0.020 4.301 4.320 0.000 0.000 0.216 286 A C 2.433 179.999 177.584 -0.030 0.000 1.181 286 A CA 1.667 53.709 52.037 0.008 0.000 0.620 286 A CB -1.169 17.834 19.000 0.005 0.000 0.819 286 A HN 0.574 nan 8.150 nan 0.000 0.442 287 A N -0.404 122.377 122.820 -0.065 0.000 1.933 287 A HA 0.125 4.445 4.320 0.000 0.000 0.218 287 A C 2.391 179.843 177.584 -0.220 0.000 1.175 287 A CA 1.898 53.809 52.037 -0.211 0.000 0.628 287 A CB -1.355 17.533 19.000 -0.187 0.000 0.814 287 A HN 0.712 nan 8.150 nan 0.000 0.444 288 G N -0.477 108.344 108.800 0.035 0.000 2.418 288 G HA2 -0.001 3.959 3.960 0.000 0.000 0.217 288 G HA3 -0.001 3.959 3.960 0.000 0.000 0.217 288 G C 1.727 176.740 174.900 0.190 0.000 1.158 288 G CA 1.394 46.620 45.100 0.210 0.000 0.771 288 G HN 0.802 nan 8.290 nan 0.000 0.545 289 A N 0.815 123.706 122.820 0.118 0.000 1.933 289 A HA 0.163 4.483 4.320 0.000 0.000 0.218 289 A C 2.668 180.347 177.584 0.158 0.000 1.175 289 A CA 2.047 54.185 52.037 0.168 0.000 0.628 289 A CB -0.933 18.140 19.000 0.122 0.000 0.814 289 A HN 0.505 nan 8.150 nan 0.000 0.444 290 G N -1.100 107.709 108.800 0.016 0.000 2.404 290 G HA2 -0.123 3.837 3.960 0.000 0.000 0.215 290 G HA3 -0.123 3.837 3.960 0.000 0.000 0.215 290 G C 1.301 176.195 174.900 -0.009 0.000 1.174 290 G CA 1.046 46.106 45.100 -0.067 0.000 0.780 290 G HN 0.388 nan 8.290 nan 0.000 0.537 291 F N -0.230 119.769 119.950 0.082 0.000 2.126 291 F HA -0.016 4.511 4.527 0.000 0.000 0.299 291 F C 2.344 178.202 175.800 0.096 0.000 1.096 291 F CA 0.653 58.697 58.000 0.072 0.000 1.255 291 F CB -0.948 38.098 39.000 0.076 0.000 0.997 291 F HN 0.241 nan 8.300 nan 0.000 0.479 292 Y N 0.676 121.107 120.300 0.218 0.000 2.163 292 Y HA -0.093 4.457 4.550 0.000 0.000 0.288 292 Y C 2.363 178.325 175.900 0.105 0.000 1.136 292 Y CA 1.198 59.380 58.100 0.138 0.000 1.147 292 Y CB -0.874 37.657 38.460 0.119 0.000 0.987 292 Y HN -0.033 nan 8.280 nan 0.000 0.509 293 A N 0.559 123.361 122.820 -0.030 0.000 1.940 293 A HA -0.118 4.202 4.320 0.000 0.000 0.219 293 A C 2.341 179.854 177.584 -0.118 0.000 1.176 293 A CA 1.986 53.950 52.037 -0.121 0.000 0.631 293 A CB -1.425 17.590 19.000 0.026 0.000 0.814 293 A HN 0.623 nan 8.150 nan 0.000 0.446 294 A N -2.318 120.474 122.820 -0.046 0.000 2.123 294 A HA 0.396 4.716 4.320 0.000 0.000 0.214 294 A C 1.896 179.464 177.584 -0.027 0.000 1.152 294 A CA 1.345 53.365 52.037 -0.029 0.000 0.728 294 A CB -0.694 18.314 19.000 0.014 0.000 0.814 294 A HN 1.908 nan 8.150 nan 0.000 0.464 295 G N -0.685 108.089 108.800 -0.044 0.000 2.159 295 G HA2 -0.283 3.677 3.960 0.000 0.000 0.227 295 G HA3 -0.283 3.677 3.960 0.000 0.000 0.227 295 G C 0.940 175.854 174.900 0.023 0.000 0.986 295 G CA 0.966 46.044 45.100 -0.037 0.000 0.651 295 G HN 0.558 nan 8.290 nan 0.000 0.523 296 K N 1.223 121.670 120.400 0.078 0.000 2.103 296 K HA 0.103 4.423 4.320 0.000 0.000 0.204 296 K C 1.424 178.041 176.600 0.028 0.000 1.052 296 K CA 2.030 58.358 56.287 0.070 0.000 0.945 296 K CB -0.190 32.406 32.500 0.159 0.000 0.722 296 K HN 0.818 nan 8.250 nan 0.000 0.443 297 T N -2.031 112.576 114.554 0.088 0.000 2.863 297 T HA 0.385 4.736 4.350 0.000 0.000 0.285 297 T C -2.133 172.666 174.700 0.166 0.000 1.009 297 T CA -1.948 60.202 62.100 0.084 0.000 0.989 297 T CB 1.886 70.804 68.868 0.083 0.000 1.004 297 T HN -0.098 nan 8.240 nan 0.000 0.455 298 P HA 0.045 nan 4.420 nan 0.000 0.230 298 P C 0.390 177.852 177.300 0.270 0.000 1.158 298 P CA 0.313 63.514 63.100 0.169 0.000 0.769 298 P CB 0.148 31.901 31.700 0.087 0.000 0.807 299 S N -1.917 113.909 115.700 0.209 0.000 2.618 299 S HA 0.338 4.809 4.470 0.000 0.000 0.277 299 S C 0.509 175.064 174.600 -0.075 0.000 1.138 299 S CA -0.806 57.403 58.200 0.014 0.000 0.844 299 S CB 1.182 64.357 63.200 -0.041 0.000 1.127 299 S HN -0.125 nan 8.310 nan 0.000 0.474 300 L N 1.668 122.667 121.223 -0.374 0.000 2.056 300 L HA 0.211 4.551 4.340 0.000 0.000 0.207 300 L C 2.460 179.303 176.870 -0.044 0.000 1.078 300 L CA 2.028 56.736 54.840 -0.219 0.000 0.749 300 L CB -0.903 40.985 42.059 -0.286 0.000 0.901 300 L HN 0.967 nan 8.230 nan 0.000 0.433 301 K N -0.505 119.859 120.400 -0.060 0.000 2.097 301 K HA -0.208 4.112 4.320 0.000 0.000 0.206 301 K C 1.942 178.549 176.600 0.011 0.000 1.049 301 K CA 1.796 58.073 56.287 -0.017 0.000 0.933 301 K CB -0.081 32.402 32.500 -0.029 0.000 0.717 301 K HN 0.469 nan 8.250 nan 0.000 0.442 302 E N -0.799 119.408 120.200 0.012 0.000 2.150 302 E HA -0.119 4.231 4.350 0.000 0.000 0.193 302 E C 1.907 178.530 176.600 0.038 0.000 0.985 302 E CA 0.932 57.342 56.400 0.016 0.000 0.814 302 E CB -0.065 29.644 29.700 0.014 0.000 0.752 302 E HN 0.529 nan 8.360 nan 0.000 0.466 303 G N 0.687 109.553 108.800 0.109 0.000 2.402 303 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 303 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 303 G C 1.716 176.776 174.900 0.267 0.000 1.162 303 G CA 0.552 45.798 45.100 0.242 0.000 0.777 303 G HN 0.119 nan 8.290 nan 0.000 0.539 304 V N 1.599 121.609 119.914 0.160 0.000 2.407 304 V HA -0.128 3.993 4.120 0.000 0.000 0.248 304 V C 3.317 179.471 176.094 0.100 0.000 1.055 304 V CA 1.940 64.317 62.300 0.127 0.000 1.049 304 V CB -0.797 31.069 31.823 0.071 0.000 0.662 304 V HN 0.473 nan 8.190 nan 0.000 0.455 305 A N -0.039 122.817 122.820 0.060 0.000 1.877 305 A HA -0.214 4.106 4.320 0.000 0.000 0.216 305 A C 2.172 179.770 177.584 0.023 0.000 1.186 305 A CA 2.168 54.223 52.037 0.029 0.000 0.620 305 A CB -0.611 18.392 19.000 0.005 0.000 0.822 305 A HN 0.453 nan 8.150 nan 0.000 0.443 306 L N -0.249 120.970 121.223 -0.006 0.000 2.046 306 L HA -0.043 4.297 4.340 0.000 0.000 0.208 306 L C 2.640 179.556 176.870 0.075 0.000 1.077 306 L CA 2.185 56.973 54.840 -0.087 0.000 0.747 306 L CB -0.853 40.963 42.059 -0.404 0.000 0.896 306 L HN 0.345 nan 8.230 nan 0.000 0.432 307 A N -0.366 122.620 122.820 0.276 0.000 1.902 307 A HA -0.213 4.107 4.320 0.000 0.000 0.217 307 A C 2.406 180.084 177.584 0.157 0.000 1.181 307 A CA 1.758 54.001 52.037 0.342 0.000 0.623 307 A CB -0.523 18.651 19.000 0.290 0.000 0.818 307 A HN 0.517 nan 8.150 nan 0.000 0.443 308 R N -0.655 119.907 120.500 0.103 0.000 2.096 308 R HA -0.141 4.199 4.340 0.000 0.000 0.235 308 R C 2.308 178.636 176.300 0.047 0.000 1.127 308 R CA 1.476 57.612 56.100 0.060 0.000 0.968 308 R CB -0.296 30.029 30.300 0.042 0.000 0.861 308 R HN 0.821 nan 8.270 nan 0.000 0.440 309 E N 0.763 120.988 120.200 0.042 0.000 2.047 309 E HA -0.149 4.201 4.350 0.000 0.000 0.191 309 E C 1.894 178.515 176.600 0.036 0.000 0.987 309 E CA 1.204 57.619 56.400 0.025 0.000 0.799 309 E CB 0.155 29.857 29.700 0.004 0.000 0.752 309 E HN 0.074 nan 8.360 nan 0.000 0.449 310 V N 1.261 121.212 119.914 0.061 0.000 2.295 310 V HA -0.255 3.866 4.120 0.000 0.000 0.246 310 V C 2.480 178.611 176.094 0.062 0.000 1.049 310 V CA 1.559 63.904 62.300 0.075 0.000 1.024 310 V CB -0.560 31.349 31.823 0.144 0.000 0.648 310 V HN 0.329 nan 8.190 nan 0.000 0.447 311 L N 0.820 122.080 121.223 0.063 0.000 1.989 311 L HA -0.137 4.203 4.340 0.000 0.000 0.211 311 L C 2.479 179.366 176.870 0.028 0.000 1.071 311 L CA 2.460 57.325 54.840 0.041 0.000 0.749 311 L CB -0.971 41.110 42.059 0.037 0.000 0.890 311 L HN 0.254 nan 8.230 nan 0.000 0.431 312 A N -1.352 121.483 122.820 0.025 0.000 2.019 312 A HA -0.197 4.123 4.320 0.000 0.000 0.219 312 A C 2.442 180.035 177.584 0.015 0.000 1.164 312 A CA 1.796 53.842 52.037 0.015 0.000 0.644 312 A CB -0.954 18.054 19.000 0.013 0.000 0.805 312 A HN 0.656 nan 8.150 nan 0.000 0.449 313 S N -1.785 113.928 115.700 0.023 0.000 2.453 313 S HA 0.281 4.751 4.470 0.000 0.000 0.231 313 S C 1.657 176.276 174.600 0.031 0.000 1.005 313 S CA 1.315 59.529 58.200 0.023 0.000 0.949 313 S CB -0.517 62.698 63.200 0.025 0.000 0.774 313 S HN 1.932 nan 8.310 nan 0.000 0.510 314 G N 1.134 109.957 108.800 0.037 0.000 2.179 314 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 314 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 314 G C 0.571 175.521 174.900 0.084 0.000 0.977 314 G CA 0.461 45.596 45.100 0.059 0.000 0.641 314 G HN 0.585 nan 8.290 nan 0.000 0.533 315 E N 0.180 120.413 120.200 0.055 0.000 2.204 315 E HA 0.069 4.419 4.350 0.000 0.000 0.195 315 E C 2.807 179.422 176.600 0.024 0.000 0.990 315 E CA 0.991 57.415 56.400 0.040 0.000 0.821 315 E CB -0.165 29.553 29.700 0.030 0.000 0.750 315 E HN 0.754 nan 8.360 nan 0.000 0.477 316 A N 0.634 123.473 122.820 0.031 0.000 1.969 316 A HA -0.186 4.135 4.320 0.000 0.000 0.218 316 A C 1.926 179.506 177.584 -0.005 0.000 1.169 316 A CA 0.945 52.974 52.037 -0.014 0.000 0.635 316 A CB -0.477 18.517 19.000 -0.009 0.000 0.810 316 A HN 0.346 nan 8.150 nan 0.000 0.445 317 Y N 0.493 120.756 120.300 -0.061 0.000 2.263 317 Y HA -0.033 4.517 4.550 0.000 0.000 0.292 317 Y C 1.876 177.750 175.900 -0.044 0.000 1.130 317 Y CA 1.316 59.383 58.100 -0.055 0.000 1.179 317 Y CB -0.243 38.196 38.460 -0.035 0.000 0.998 317 Y HN 0.212 nan 8.280 nan 0.000 0.532 318 L N -0.738 120.447 121.223 -0.063 0.000 2.083 318 L HA -0.207 4.133 4.340 0.000 0.000 0.209 318 L C 2.360 179.145 176.870 -0.142 0.000 1.083 318 L CA 1.097 55.867 54.840 -0.116 0.000 0.752 318 L CB -0.750 41.298 42.059 -0.018 0.000 0.899 318 L HN 0.301 nan 8.230 nan 0.000 0.433 319 L N -0.006 121.142 121.223 -0.124 0.000 2.046 319 L HA -0.194 4.146 4.340 0.000 0.000 0.208 319 L C 2.326 179.090 176.870 -0.176 0.000 1.077 319 L CA 1.537 56.296 54.840 -0.135 0.000 0.747 319 L CB -0.532 41.426 42.059 -0.169 0.000 0.896 319 L HN 0.123 nan 8.230 nan 0.000 0.432 320 L N -0.327 120.744 121.223 -0.252 0.000 2.012 320 L HA -0.182 4.158 4.340 0.000 0.000 0.210 320 L C 2.389 179.170 176.870 -0.147 0.000 1.073 320 L CA 1.843 56.545 54.840 -0.230 0.000 0.748 320 L CB -0.898 41.013 42.059 -0.248 0.000 0.891 320 L HN 0.300 nan 8.230 nan 0.000 0.431 321 E N -0.261 119.767 120.200 -0.286 0.000 2.106 321 E HA -0.225 4.125 4.350 0.000 0.000 0.192 321 E C 2.340 178.902 176.600 -0.063 0.000 0.984 321 E CA 1.007 57.280 56.400 -0.211 0.000 0.806 321 E CB -0.368 29.141 29.700 -0.317 0.000 0.750 321 E HN 0.537 nan 8.360 nan 0.000 0.458 322 R N -0.311 120.168 120.500 -0.036 0.000 2.081 322 R HA -0.184 4.156 4.340 0.000 0.000 0.235 322 R C 2.300 178.682 176.300 0.136 0.000 1.131 322 R CA 1.190 57.317 56.100 0.044 0.000 0.960 322 R CB -0.297 30.020 30.300 0.028 0.000 0.856 322 R HN 0.162 nan 8.270 nan 0.000 0.436 323 Y N 0.588 120.891 120.300 0.004 0.000 2.163 323 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 323 Y C 2.024 178.011 175.900 0.145 0.000 1.136 323 Y CA 1.444 59.598 58.100 0.091 0.000 1.147 323 Y CB -0.381 38.141 38.460 0.103 0.000 0.987 323 Y HN -0.163 nan 8.280 nan 0.000 0.509 324 V N 0.434 120.392 119.914 0.072 0.000 2.287 324 V HA -0.379 3.742 4.120 0.000 0.000 0.248 324 V C 2.650 178.727 176.094 -0.029 0.000 1.053 324 V CA 2.073 64.363 62.300 -0.017 0.000 1.027 324 V CB -1.579 30.243 31.823 -0.001 0.000 0.646 324 V HN 0.561 nan 8.190 nan 0.000 0.447 325 A N -1.027 121.802 122.820 0.014 0.000 1.930 325 A HA -0.208 4.112 4.320 0.000 0.000 0.217 325 A C 2.092 179.697 177.584 0.036 0.000 1.175 325 A CA 1.724 53.772 52.037 0.018 0.000 0.627 325 A CB -0.710 18.308 19.000 0.030 0.000 0.815 325 A HN 0.522 nan 8.150 nan 0.000 0.443 326 F N 0.635 120.534 119.950 -0.084 0.000 2.161 326 F HA -0.131 4.396 4.527 0.000 0.000 0.300 326 F C 1.706 177.437 175.800 -0.114 0.000 1.089 326 F CA 1.627 59.580 58.000 -0.079 0.000 1.282 326 F CB -0.082 38.883 39.000 -0.057 0.000 1.010 326 F HN 0.140 nan 8.300 nan 0.000 0.485 327 L N -0.441 120.748 121.223 -0.056 0.000 2.492 327 L HA 0.018 4.358 4.340 0.000 0.000 0.223 327 L C 1.211 178.011 176.870 -0.117 0.000 1.132 327 L CA 0.099 54.867 54.840 -0.119 0.000 0.850 327 L CB -0.527 41.445 42.059 -0.144 0.000 0.966 327 L HN -0.095 nan 8.230 nan 0.000 0.454 328 R N 1.008 121.446 120.500 -0.104 0.000 2.539 328 R HA 0.442 4.782 4.340 0.000 0.000 0.275 328 R C 0.437 176.677 176.300 -0.099 0.000 1.077 328 R CA 0.054 56.105 56.100 -0.081 0.000 1.097 328 R CB 0.901 31.167 30.300 -0.056 0.000 1.018 328 R HN 0.088 nan 8.270 nan 0.000 0.483 329 A N 0.000 122.775 122.820 -0.075 0.000 2.254 329 A HA 0.000 4.320 4.320 0.000 0.000 0.244 329 A CA 0.000 51.993 52.037 -0.074 0.000 0.836 329 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486