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 1ds8_1_S DATA FIRST_RESID 3 DATA SEQUENCE YQNIFSQVQV RGPADLGMTE DVNLANRSGV GPFSTLLGWF GNAQLGPIYL DATA SEQUENCE GSLGVLSLFS GLMWFFTIGI WFWYQAGWNP AVFLRDLFFF SLEPPAPEYG DATA SEQUENCE LSFAAPLKEG GLWLIASFFM FVAVWSWWGR TYLRAQALGM GKHTAWAFLS DATA SEQUENCE AIWLWMVLGF IRPILMGSWS EAVPYGIFSH LDWTNNFSLV HGNLFYNPFH DATA SEQUENCE GLSIAFLYGS ALLFAMHGAT ILAVSRFGGE RELEQIADRG TAAERAALFW DATA SEQUENCE RWTMGFNATM EGIHRWAIWM AVLVTLTGGI GILLSGTVVD NWYVWGQNH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.891 175.900 -0.016 0.000 1.272 3 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 3 Y CB 0.000 38.460 38.460 -0.001 0.000 1.050 4 Q N 2.926 122.412 119.800 -0.523 0.000 2.356 4 Q HA 0.096 4.437 4.340 0.001 0.000 0.205 4 Q C 0.468 176.071 176.000 -0.661 0.000 0.901 4 Q CA 0.774 56.301 55.803 -0.460 0.000 0.938 4 Q CB 0.141 28.723 28.738 -0.260 0.000 1.081 4 Q HN 0.758 nan 8.270 nan 0.000 0.517 5 N N 0.131 118.037 118.700 -1.323 0.000 2.754 5 N HA -0.160 4.581 4.740 0.001 0.000 0.248 5 N C 0.175 175.444 175.510 -0.403 0.000 1.093 5 N CA 0.294 52.829 53.050 -0.858 0.000 0.699 5 N CB -0.929 37.299 38.487 -0.431 0.000 1.016 5 N HN 0.163 nan 8.380 nan 0.000 0.552 6 I N -1.426 118.918 120.570 -0.376 0.000 2.731 6 I HA 0.146 4.317 4.170 0.001 0.000 0.260 6 I C 0.542 176.424 176.117 -0.392 0.000 1.138 6 I CA 0.986 62.051 61.300 -0.390 0.000 1.461 6 I CB -0.521 37.212 38.000 -0.444 0.000 1.128 6 I HN 0.049 nan 8.210 nan 0.000 0.438 7 F N 0.308 120.332 119.950 0.123 0.000 2.551 7 F HA 0.405 4.932 4.527 0.001 0.000 0.316 7 F C 0.767 176.780 175.800 0.355 0.000 1.089 7 F CA -1.042 57.122 58.000 0.272 0.000 0.915 7 F CB 1.381 40.518 39.000 0.230 0.000 1.186 7 F HN -0.336 nan 8.300 nan 0.000 0.456 8 S N 1.813 117.878 115.700 0.609 0.000 2.564 8 S HA 0.097 4.568 4.470 0.001 0.000 0.278 8 S C 0.977 175.890 174.600 0.522 0.000 1.333 8 S CA -0.443 58.049 58.200 0.488 0.000 1.048 8 S CB 1.147 64.537 63.200 0.317 0.000 0.900 8 S HN 0.707 nan 8.310 nan 0.000 0.505 9 Q N 0.760 120.734 119.800 0.289 0.000 2.096 9 Q HA 0.109 4.450 4.340 0.001 0.000 0.197 9 Q C 0.280 176.423 176.000 0.239 0.000 0.964 9 Q CA 0.757 56.664 55.803 0.173 0.000 0.838 9 Q CB 0.243 28.896 28.738 -0.141 0.000 0.906 9 Q HN 0.458 nan 8.270 nan 0.000 0.444 10 V N 0.769 120.764 119.914 0.135 0.000 2.686 10 V HA 0.239 4.359 4.120 0.001 0.000 0.306 10 V C -1.547 174.537 176.094 -0.018 0.000 1.065 10 V CA -0.660 61.682 62.300 0.070 0.000 0.894 10 V CB 1.966 33.800 31.823 0.017 0.000 1.004 10 V HN 0.135 nan 8.190 nan 0.000 0.424 11 Q N 3.487 123.205 119.800 -0.137 0.000 2.235 11 Q HA 0.658 4.999 4.340 0.001 0.000 0.250 11 Q C -1.148 174.775 176.000 -0.129 0.000 0.909 11 Q CA -0.439 55.244 55.803 -0.201 0.000 0.910 11 Q CB 2.369 30.860 28.738 -0.412 0.000 1.223 11 Q HN 0.612 nan 8.270 nan 0.000 0.432 12 V N 2.886 122.741 119.914 -0.098 0.000 2.656 12 V HA 0.555 4.675 4.120 0.001 0.000 0.307 12 V C -0.803 175.240 176.094 -0.085 0.000 1.051 12 V CA -0.555 61.697 62.300 -0.079 0.000 0.893 12 V CB 2.089 33.882 31.823 -0.051 0.000 0.999 12 V HN 0.677 nan 8.190 nan 0.000 0.426 13 R N 2.601 123.035 120.500 -0.110 0.000 2.621 13 R HA 0.754 5.095 4.340 0.001 0.000 0.284 13 R C -0.438 175.769 176.300 -0.154 0.000 0.998 13 R CA -0.118 55.891 56.100 -0.152 0.000 0.895 13 R CB 2.244 32.383 30.300 -0.269 0.000 1.195 13 R HN 0.891 nan 8.270 nan 0.000 0.450 14 G N 2.390 111.109 108.800 -0.135 0.000 3.086 14 G HA2 0.526 4.487 3.960 0.001 0.000 0.282 14 G HA3 0.526 4.487 3.960 0.001 0.000 0.282 14 G C -2.646 172.198 174.900 -0.094 0.000 1.343 14 G CA -1.066 43.973 45.100 -0.101 0.000 0.895 14 G HN 0.428 nan 8.290 nan 0.000 0.557 15 P HA 0.369 nan 4.420 nan 0.000 0.264 15 P C 0.254 177.618 177.300 0.106 0.000 1.183 15 P CA 0.140 63.246 63.100 0.010 0.000 0.763 15 P CB 0.574 32.280 31.700 0.009 0.000 0.807 16 A N 2.754 125.699 122.820 0.207 0.000 2.555 16 A HA 0.025 4.345 4.320 0.001 0.000 0.233 16 A C 0.454 178.119 177.584 0.135 0.000 1.060 16 A CA 0.228 52.456 52.037 0.319 0.000 0.759 16 A CB -0.120 19.051 19.000 0.286 0.000 0.995 16 A HN 0.535 nan 8.150 nan 0.000 0.506 17 D N 1.903 122.358 120.400 0.093 0.000 2.317 17 D HA 0.351 4.992 4.640 0.001 0.000 0.234 17 D C 0.781 177.088 176.300 0.011 0.000 1.112 17 D CA -0.146 53.877 54.000 0.039 0.000 0.840 17 D CB 0.957 41.772 40.800 0.026 0.000 1.078 17 D HN 0.458 nan 8.370 nan 0.000 0.486 18 L N 2.792 124.021 121.223 0.010 0.000 2.492 18 L HA 0.208 4.548 4.340 0.001 0.000 0.223 18 L C 1.411 178.278 176.870 -0.004 0.000 1.132 18 L CA 0.296 55.137 54.840 0.002 0.000 0.850 18 L CB -0.495 41.567 42.059 0.005 0.000 0.966 18 L HN 0.614 nan 8.230 nan 0.000 0.454 19 G N -0.072 108.723 108.800 -0.007 0.000 2.746 19 G HA2 -0.171 3.789 3.960 0.001 0.000 0.685 19 G HA3 -0.171 3.789 3.960 0.001 0.000 0.685 19 G C -0.375 174.515 174.900 -0.016 0.000 1.350 19 G CA -0.988 44.103 45.100 -0.015 0.000 0.837 19 G HN -0.154 nan 8.290 nan 0.000 0.564 20 M N 0.306 119.890 119.600 -0.026 0.000 2.250 20 M HA 0.250 4.730 4.480 0.001 0.000 0.325 20 M C 1.732 178.015 176.300 -0.027 0.000 1.084 20 M CA 0.719 56.001 55.300 -0.030 0.000 1.161 20 M CB 0.065 32.640 32.600 -0.042 0.000 1.481 20 M HN 0.709 nan 8.290 nan 0.000 0.449 21 T N 0.028 114.567 114.554 -0.025 0.000 2.990 21 T HA 0.046 4.397 4.350 0.001 0.000 0.237 21 T C 0.723 175.405 174.700 -0.030 0.000 1.009 21 T CA 0.347 62.435 62.100 -0.020 0.000 1.195 21 T CB 0.118 68.978 68.868 -0.013 0.000 0.885 21 T HN 0.686 nan 8.240 nan 0.000 0.424 22 E N 0.754 120.933 120.200 -0.035 0.000 3.440 22 E HA -0.190 4.160 4.350 0.001 0.000 0.328 22 E C -0.112 176.464 176.600 -0.039 0.000 1.514 22 E CA 1.608 57.982 56.400 -0.043 0.000 1.926 22 E CB -0.939 28.723 29.700 -0.062 0.000 1.874 22 E HN 0.330 nan 8.360 nan 0.000 0.471 23 D N -0.075 120.294 120.400 -0.051 0.000 2.358 23 D HA 0.118 4.758 4.640 0.001 0.000 0.224 23 D C 0.045 176.320 176.300 -0.041 0.000 1.123 23 D CA 0.516 54.490 54.000 -0.043 0.000 0.833 23 D CB -0.280 40.491 40.800 -0.050 0.000 0.946 23 D HN 0.222 nan 8.370 nan 0.000 0.505 24 V N 0.484 120.373 119.914 -0.041 0.000 2.732 24 V HA 0.224 4.345 4.120 0.001 0.000 0.297 24 V C 0.351 176.485 176.094 0.066 0.000 1.060 24 V CA -0.796 61.493 62.300 -0.017 0.000 1.038 24 V CB 1.564 33.355 31.823 -0.053 0.000 1.003 24 V HN -0.112 nan 8.190 nan 0.000 0.481 25 N N 4.689 123.481 118.700 0.153 0.000 2.466 25 N HA 0.070 4.810 4.740 0.001 0.000 0.263 25 N C 0.677 176.262 175.510 0.125 0.000 1.178 25 N CA -0.183 52.946 53.050 0.131 0.000 0.983 25 N CB 0.392 38.963 38.487 0.139 0.000 1.331 25 N HN 0.731 nan 8.380 nan 0.000 0.500 26 L N 2.851 124.112 121.223 0.064 0.000 2.351 26 L HA -0.143 4.197 4.340 0.001 0.000 0.220 26 L C 2.208 179.066 176.870 -0.021 0.000 1.127 26 L CA 1.233 56.091 54.840 0.031 0.000 0.786 26 L CB -1.230 40.837 42.059 0.014 0.000 0.914 26 L HN 0.607 nan 8.230 nan 0.000 0.443 27 A N -0.840 121.959 122.820 -0.035 0.000 2.014 27 A HA -0.120 4.200 4.320 0.001 0.000 0.218 27 A C 1.933 179.433 177.584 -0.141 0.000 1.163 27 A CA 1.198 53.194 52.037 -0.068 0.000 0.652 27 A CB -0.387 18.582 19.000 -0.051 0.000 0.808 27 A HN 0.476 nan 8.150 nan 0.000 0.449 28 N N -0.629 117.927 118.700 -0.240 0.000 2.398 28 N HA 0.029 4.770 4.740 0.001 0.000 0.188 28 N C 0.442 175.610 175.510 -0.570 0.000 1.122 28 N CA 0.196 52.943 53.050 -0.504 0.000 0.866 28 N CB 0.030 37.973 38.487 -0.907 0.000 0.970 28 N HN 0.397 nan 8.380 nan 0.000 0.462 29 R N 1.196 121.524 120.500 -0.286 0.000 2.297 29 R HA 0.156 4.496 4.340 0.001 0.000 0.308 29 R C 0.730 176.967 176.300 -0.105 0.000 1.029 29 R CA -0.216 55.799 56.100 -0.142 0.000 0.929 29 R CB 0.697 30.992 30.300 -0.009 0.000 1.046 29 R HN 0.069 nan 8.270 nan 0.000 0.461 30 S N 2.134 117.784 115.700 -0.083 0.000 2.625 30 S HA 0.441 4.911 4.470 0.001 0.000 0.258 30 S C 0.550 175.126 174.600 -0.040 0.000 1.256 30 S CA -0.400 57.764 58.200 -0.061 0.000 0.983 30 S CB 0.792 63.963 63.200 -0.048 0.000 1.032 30 S HN 0.640 nan 8.310 nan 0.000 0.572 31 G N -0.791 107.990 108.800 -0.032 0.000 2.477 31 G HA2 0.522 4.482 3.960 0.001 0.000 0.304 31 G HA3 0.522 4.482 3.960 0.001 0.000 0.304 31 G C -0.590 174.295 174.900 -0.025 0.000 1.175 31 G CA -0.912 44.175 45.100 -0.022 0.000 0.907 31 G HN 0.775 nan 8.290 nan 0.000 0.509 32 V N 0.807 120.708 119.914 -0.021 0.000 2.655 32 V HA 0.393 4.513 4.120 0.001 0.000 0.300 32 V C 1.454 177.521 176.094 -0.046 0.000 1.044 32 V CA 0.476 62.750 62.300 -0.044 0.000 1.095 32 V CB 0.700 32.506 31.823 -0.027 0.000 0.952 32 V HN 0.934 nan 8.190 nan 0.000 0.485 33 G N 5.370 114.117 108.800 -0.089 0.000 2.494 33 G HA2 0.501 4.462 3.960 0.001 0.000 0.270 33 G HA3 0.501 4.462 3.960 0.001 0.000 0.270 33 G C -2.278 172.577 174.900 -0.075 0.000 1.423 33 G CA -0.729 44.329 45.100 -0.070 0.000 1.055 33 G HN 0.659 nan 8.290 nan 0.000 0.536 34 P HA 0.408 nan 4.420 nan 0.000 0.278 34 P C -1.370 175.907 177.300 -0.038 0.000 1.266 34 P CA -0.449 62.674 63.100 0.038 0.000 0.807 34 P CB 1.109 32.839 31.700 0.050 0.000 1.094 35 F N -0.456 119.485 119.950 -0.015 0.000 2.420 35 F HA 0.311 4.838 4.527 0.001 0.000 0.342 35 F C 1.197 176.983 175.800 -0.023 0.000 1.113 35 F CA -0.173 57.813 58.000 -0.023 0.000 1.059 35 F CB 1.536 40.515 39.000 -0.035 0.000 1.128 35 F HN 0.103 nan 8.300 nan 0.000 0.475 36 S N 1.952 117.720 115.700 0.113 0.000 2.448 36 S HA 0.211 4.682 4.470 0.001 0.000 0.320 36 S C 0.903 175.527 174.600 0.040 0.000 1.071 36 S CA -0.510 57.733 58.200 0.071 0.000 1.113 36 S CB 0.677 63.906 63.200 0.048 0.000 0.972 36 S HN 0.750 nan 8.310 nan 0.000 0.465 37 T N 5.530 120.089 114.554 0.008 0.000 2.788 37 T HA -0.112 4.238 4.350 0.001 0.000 0.268 37 T C 1.753 176.367 174.700 -0.143 0.000 1.044 37 T CA 1.272 63.296 62.100 -0.127 0.000 1.139 37 T CB -0.283 68.534 68.868 -0.084 0.000 0.867 37 T HN 0.550 nan 8.240 nan 0.000 0.454 38 L N 1.012 122.286 121.223 0.084 0.000 1.989 38 L HA -0.002 4.339 4.340 0.001 0.000 0.211 38 L C 2.143 179.158 176.870 0.241 0.000 1.071 38 L CA 1.689 56.680 54.840 0.253 0.000 0.749 38 L CB -0.625 41.539 42.059 0.174 0.000 0.890 38 L HN 0.253 nan 8.230 nan 0.000 0.431 39 L N -0.962 120.345 121.223 0.139 0.000 2.141 39 L HA -0.089 4.252 4.340 0.001 0.000 0.209 39 L C 2.474 179.439 176.870 0.158 0.000 1.094 39 L CA 0.990 55.929 54.840 0.165 0.000 0.763 39 L CB -1.329 40.793 42.059 0.105 0.000 0.908 39 L HN 0.481 nan 8.230 nan 0.000 0.437 40 G N -0.601 108.206 108.800 0.013 0.000 2.479 40 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 40 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 40 G C 1.161 176.024 174.900 -0.062 0.000 1.115 40 G CA 0.254 45.302 45.100 -0.087 0.000 0.757 40 G HN 0.416 nan 8.290 nan 0.000 0.560 41 W N -1.153 120.258 121.300 0.185 0.000 2.402 41 W HA 0.188 4.849 4.660 0.001 0.000 0.286 41 W C 2.030 178.813 176.519 0.439 0.000 1.221 41 W CA -0.170 57.322 57.345 0.246 0.000 1.257 41 W CB -0.157 29.394 29.460 0.152 0.000 1.120 41 W HN 0.147 nan 8.180 nan 0.000 0.551 42 F N -0.827 119.382 119.950 0.430 0.000 2.437 42 F HA 0.372 4.900 4.527 0.001 0.000 0.288 42 F C 1.468 177.360 175.800 0.155 0.000 1.085 42 F CA 1.338 59.529 58.000 0.319 0.000 1.430 42 F CB -0.329 38.848 39.000 0.295 0.000 1.120 42 F HN -0.215 nan 8.300 nan 0.000 0.556 43 G N -0.922 107.986 108.800 0.180 0.000 2.933 43 G HA2 0.163 4.123 3.960 0.001 0.000 0.203 43 G HA3 0.163 4.123 3.960 0.001 0.000 0.203 43 G C -1.195 173.737 174.900 0.053 0.000 1.170 43 G CA -0.768 44.354 45.100 0.037 0.000 0.880 43 G HN -0.100 nan 8.290 nan 0.000 0.573 44 N N 0.629 119.348 118.700 0.033 0.000 2.479 44 N HA 0.403 5.143 4.740 0.001 0.000 0.257 44 N C 1.014 176.542 175.510 0.030 0.000 1.232 44 N CA 0.494 53.558 53.050 0.024 0.000 0.920 44 N CB 1.699 40.188 38.487 0.002 0.000 1.105 44 N HN 0.586 nan 8.380 nan 0.000 0.444 45 A N 1.703 124.552 122.820 0.048 0.000 2.044 45 A HA -0.031 4.289 4.320 0.001 0.000 0.213 45 A C 0.933 178.480 177.584 -0.062 0.000 1.169 45 A CA 0.274 52.352 52.037 0.068 0.000 0.724 45 A CB -0.163 18.942 19.000 0.175 0.000 0.840 45 A HN 0.736 nan 8.150 nan 0.000 0.463 46 Q N 0.670 120.335 119.800 -0.225 0.000 2.311 46 Q HA 0.297 4.638 4.340 0.001 0.000 0.272 46 Q C -1.449 174.311 176.000 -0.400 0.000 1.012 46 Q CA -0.133 55.247 55.803 -0.706 0.000 0.891 46 Q CB 0.321 28.695 28.738 -0.605 0.000 1.201 46 Q HN 0.231 nan 8.270 nan 0.000 0.391 47 L N 3.857 124.826 121.223 -0.424 0.000 2.317 47 L HA 0.589 4.930 4.340 0.001 0.000 0.281 47 L C 0.693 177.444 176.870 -0.198 0.000 1.024 47 L CA 1.085 55.794 54.840 -0.219 0.000 0.810 47 L CB 0.822 42.791 42.059 -0.149 0.000 1.240 47 L HN 0.934 nan 8.230 nan 0.000 0.427 48 G N 4.424 113.152 108.800 -0.120 0.000 2.804 48 G HA2 -0.142 3.819 3.960 0.001 0.000 0.230 48 G HA3 -0.142 3.819 3.960 0.001 0.000 0.230 48 G C -2.718 172.123 174.900 -0.098 0.000 1.386 48 G CA -0.604 44.444 45.100 -0.086 0.000 0.875 48 G HN 0.540 nan 8.290 nan 0.000 0.557 49 P HA 0.568 nan 4.420 nan 0.000 0.276 49 P C -0.180 177.111 177.300 -0.014 0.000 1.261 49 P CA -0.407 62.671 63.100 -0.037 0.000 0.800 49 P CB 1.294 32.978 31.700 -0.026 0.000 1.066 50 I N 0.220 120.789 120.570 -0.002 0.000 2.693 50 I HA 0.382 4.553 4.170 0.001 0.000 0.303 50 I C -1.150 174.996 176.117 0.049 0.000 1.025 50 I CA -1.435 59.883 61.300 0.031 0.000 1.086 50 I CB 1.833 39.854 38.000 0.035 0.000 1.268 50 I HN 0.226 nan 8.210 nan 0.000 0.440 51 Y N 7.010 127.278 120.300 -0.053 0.000 2.335 51 Y HA 0.560 5.111 4.550 0.001 0.000 0.339 51 Y C -1.322 174.541 175.900 -0.062 0.000 0.987 51 Y CA -0.591 57.470 58.100 -0.065 0.000 1.140 51 Y CB 0.970 39.374 38.460 -0.092 0.000 1.173 51 Y HN 0.379 nan 8.280 nan 0.000 0.486 52 L N 7.680 128.696 121.223 -0.346 0.000 2.433 52 L HA 0.453 4.794 4.340 0.001 0.000 0.256 52 L C 0.605 177.310 176.870 -0.275 0.000 1.063 52 L CA -0.515 54.223 54.840 -0.171 0.000 0.922 52 L CB 0.708 42.715 42.059 -0.087 0.000 1.238 52 L HN 0.903 nan 8.230 nan 0.000 0.466 53 G N 0.230 108.957 108.800 -0.121 0.000 2.494 53 G HA2 0.200 4.160 3.960 0.001 0.000 0.270 53 G HA3 0.200 4.160 3.960 0.001 0.000 0.270 53 G C 0.833 175.742 174.900 0.014 0.000 1.423 53 G CA -0.085 44.998 45.100 -0.028 0.000 1.055 53 G HN 0.420 nan 8.290 nan 0.000 0.536 54 S N -0.784 114.937 115.700 0.034 0.000 2.355 54 S HA -0.125 4.346 4.470 0.001 0.000 0.222 54 S C 2.367 176.999 174.600 0.054 0.000 1.031 54 S CA 0.871 59.089 58.200 0.030 0.000 0.993 54 S CB -0.414 62.802 63.200 0.028 0.000 0.859 54 S HN 0.294 nan 8.310 nan 0.000 0.453 55 L N 2.025 123.284 121.223 0.060 0.000 2.042 55 L HA -0.052 4.289 4.340 0.001 0.000 0.210 55 L C 2.374 179.291 176.870 0.080 0.000 1.076 55 L CA 1.971 56.849 54.840 0.064 0.000 0.749 55 L CB -1.406 40.669 42.059 0.028 0.000 0.893 55 L HN 0.372 nan 8.230 nan 0.000 0.432 56 G N -1.875 106.962 108.800 0.062 0.000 2.408 56 G HA2 -0.159 3.801 3.960 0.001 0.000 0.217 56 G HA3 -0.159 3.801 3.960 0.001 0.000 0.217 56 G C 1.565 176.555 174.900 0.150 0.000 1.150 56 G CA 0.913 46.068 45.100 0.092 0.000 0.776 56 G HN 0.321 nan 8.290 nan 0.000 0.542 57 V N 0.669 120.645 119.914 0.103 0.000 2.358 57 V HA -0.102 4.019 4.120 0.001 0.000 0.246 57 V C 2.637 178.826 176.094 0.158 0.000 1.047 57 V CA 1.517 63.879 62.300 0.102 0.000 1.035 57 V CB -0.367 31.480 31.823 0.040 0.000 0.658 57 V HN 0.365 nan 8.190 nan 0.000 0.452 58 L N 0.183 121.496 121.223 0.151 0.000 2.017 58 L HA -0.139 4.202 4.340 0.001 0.000 0.208 58 L C 2.622 179.650 176.870 0.262 0.000 1.073 58 L CA 2.502 57.466 54.840 0.207 0.000 0.745 58 L CB -0.943 41.214 42.059 0.163 0.000 0.894 58 L HN 0.312 nan 8.230 nan 0.000 0.432 59 S N -0.833 115.008 115.700 0.236 0.000 2.359 59 S HA -0.213 4.258 4.470 0.001 0.000 0.224 59 S C 2.117 176.846 174.600 0.215 0.000 1.035 59 S CA 1.757 60.111 58.200 0.258 0.000 1.018 59 S CB -0.569 62.873 63.200 0.404 0.000 0.876 59 S HN 0.522 nan 8.310 nan 0.000 0.448 60 L N -0.161 121.199 121.223 0.228 0.000 2.083 60 L HA -0.076 4.265 4.340 0.001 0.000 0.209 60 L C 2.252 179.200 176.870 0.131 0.000 1.083 60 L CA 1.872 56.804 54.840 0.153 0.000 0.752 60 L CB -0.466 41.686 42.059 0.155 0.000 0.899 60 L HN 0.476 nan 8.230 nan 0.000 0.433 61 F N 0.219 120.193 119.950 0.040 0.000 2.051 61 F HA -0.234 4.294 4.527 0.001 0.000 0.296 61 F C 2.611 178.398 175.800 -0.021 0.000 1.122 61 F CA 1.982 59.983 58.000 0.002 0.000 1.201 61 F CB -0.550 38.461 39.000 0.018 0.000 0.978 61 F HN -0.022 nan 8.300 nan 0.000 0.472 62 S N 0.439 116.097 115.700 -0.070 0.000 2.359 62 S HA -0.165 4.306 4.470 0.001 0.000 0.224 62 S C 2.340 176.879 174.600 -0.101 0.000 1.035 62 S CA 1.302 59.434 58.200 -0.113 0.000 1.018 62 S CB -1.419 61.878 63.200 0.162 0.000 0.876 62 S HN 0.650 nan 8.310 nan 0.000 0.448 63 G N 1.680 110.477 108.800 -0.005 0.000 2.469 63 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 63 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 63 G C 1.335 176.297 174.900 0.104 0.000 1.150 63 G CA 0.841 45.985 45.100 0.074 0.000 0.763 63 G HN 0.445 nan 8.290 nan 0.000 0.561 64 L N -0.251 120.938 121.223 -0.058 0.000 2.056 64 L HA -0.035 4.305 4.340 0.001 0.000 0.207 64 L C 3.077 179.878 176.870 -0.116 0.000 1.078 64 L CA 0.573 55.379 54.840 -0.057 0.000 0.749 64 L CB -0.336 41.659 42.059 -0.106 0.000 0.901 64 L HN 0.141 nan 8.230 nan 0.000 0.433 65 M N -1.118 118.200 119.600 -0.469 0.000 2.117 65 M HA -0.239 4.241 4.480 0.001 0.000 0.262 65 M C 2.089 178.211 176.300 -0.297 0.000 1.065 65 M CA 1.681 56.547 55.300 -0.725 0.000 1.114 65 M CB -1.295 30.153 32.600 -1.920 0.000 1.361 65 M HN 0.443 nan 8.290 nan 0.000 0.408 66 W N 0.655 121.795 121.300 -0.268 0.000 2.333 66 W HA -0.271 4.390 4.660 0.001 0.000 0.316 66 W C 2.244 178.713 176.519 -0.084 0.000 1.215 66 W CA 1.496 58.805 57.345 -0.060 0.000 1.278 66 W CB -1.107 28.330 29.460 -0.038 0.000 1.154 66 W HN 0.177 nan 8.180 nan 0.000 0.486 67 F N 0.265 119.999 119.950 -0.361 0.000 2.126 67 F HA -0.202 4.326 4.527 0.001 0.000 0.299 67 F C 2.370 177.956 175.800 -0.356 0.000 1.096 67 F CA 2.243 59.905 58.000 -0.563 0.000 1.255 67 F CB -1.285 37.549 39.000 -0.276 0.000 0.997 67 F HN 0.004 nan 8.300 nan 0.000 0.479 68 F N 0.615 120.437 119.950 -0.213 0.000 2.134 68 F HA -0.182 4.345 4.527 0.001 0.000 0.299 68 F C 2.338 178.011 175.800 -0.210 0.000 1.097 68 F CA 2.235 60.115 58.000 -0.200 0.000 1.264 68 F CB -1.073 37.834 39.000 -0.154 0.000 1.001 68 F HN -0.127 nan 8.300 nan 0.000 0.479 69 T N 1.682 116.086 114.554 -0.251 0.000 2.720 69 T HA -0.189 4.161 4.350 0.001 0.000 0.268 69 T C 2.128 176.619 174.700 -0.348 0.000 1.037 69 T CA 2.073 64.023 62.100 -0.250 0.000 1.144 69 T CB -0.497 68.383 68.868 0.021 0.000 0.864 69 T HN 0.302 nan 8.240 nan 0.000 0.444 70 I N 1.106 121.350 120.570 -0.544 0.000 2.179 70 I HA -0.097 4.074 4.170 0.001 0.000 0.242 70 I C 2.938 178.610 176.117 -0.741 0.000 1.088 70 I CA 1.296 62.196 61.300 -0.667 0.000 1.357 70 I CB -0.823 36.551 38.000 -1.043 0.000 1.051 70 I HN 0.313 nan 8.210 nan 0.000 0.409 71 G N 1.025 109.370 108.800 -0.759 0.000 2.446 71 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 71 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 71 G C 1.775 176.609 174.900 -0.109 0.000 1.168 71 G CA 0.740 45.557 45.100 -0.472 0.000 0.771 71 G HN 0.398 nan 8.290 nan 0.000 0.551 72 I N -0.775 119.622 120.570 -0.290 0.000 2.394 72 I HA -0.073 4.098 4.170 0.001 0.000 0.251 72 I C 2.429 178.592 176.117 0.078 0.000 1.136 72 I CA 1.009 62.247 61.300 -0.103 0.000 1.425 72 I CB -0.064 37.701 38.000 -0.392 0.000 1.079 72 I HN 0.511 nan 8.210 nan 0.000 0.425 73 W N 0.852 122.097 121.300 -0.091 0.000 2.381 73 W HA -0.276 4.384 4.660 0.001 0.000 0.301 73 W C 2.037 178.602 176.519 0.077 0.000 1.205 73 W CA 1.013 58.387 57.345 0.047 0.000 1.285 73 W CB -0.359 29.159 29.460 0.097 0.000 1.133 73 W HN 0.106 nan 8.180 nan 0.000 0.521 74 F N -0.218 119.510 119.950 -0.371 0.000 2.126 74 F HA -0.150 4.377 4.527 0.001 0.000 0.299 74 F C 2.088 177.275 175.800 -1.022 0.000 1.096 74 F CA 1.224 58.718 58.000 -0.844 0.000 1.255 74 F CB -1.705 36.973 39.000 -0.537 0.000 0.997 74 F HN -0.080 nan 8.300 nan 0.000 0.479 75 W N -1.394 119.687 121.300 -0.365 0.000 2.363 75 W HA -0.245 4.415 4.660 0.001 0.000 0.296 75 W C 2.615 178.385 176.519 -1.250 0.000 1.212 75 W CA 1.628 58.612 57.345 -0.602 0.000 1.260 75 W CB -1.062 28.156 29.460 -0.403 0.000 1.131 75 W HN 0.064 nan 8.180 nan 0.000 0.530 76 Y N 1.197 120.781 120.300 -1.192 0.000 2.145 76 Y HA -0.290 4.261 4.550 0.001 0.000 0.286 76 Y C 2.281 177.582 175.900 -0.997 0.000 1.145 76 Y CA 2.139 59.465 58.100 -1.290 0.000 1.148 76 Y CB -0.835 37.195 38.460 -0.716 0.000 0.981 76 Y HN 0.018 nan 8.280 nan 0.000 0.507 77 Q N -0.512 118.573 119.800 -1.193 0.000 2.226 77 Q HA -0.108 4.233 4.340 0.001 0.000 0.204 77 Q C 2.050 177.608 176.000 -0.737 0.000 0.975 77 Q CA 1.065 56.250 55.803 -1.030 0.000 0.866 77 Q CB -0.230 27.926 28.738 -0.971 0.000 0.915 77 Q HN 0.592 nan 8.270 nan 0.000 0.440 78 A N -0.128 122.198 122.820 -0.824 0.000 2.251 78 A HA 0.308 4.628 4.320 0.001 0.000 0.209 78 A C 1.364 178.748 177.584 -0.334 0.000 1.187 78 A CA 0.606 52.392 52.037 -0.418 0.000 0.823 78 A CB -0.184 18.594 19.000 -0.371 0.000 0.846 78 A HN 0.404 nan 8.150 nan 0.000 0.486 79 G N -2.121 106.344 108.800 -0.559 0.000 2.198 79 G HA2 -0.311 3.650 3.960 0.001 0.000 0.260 79 G HA3 -0.311 3.650 3.960 0.001 0.000 0.260 79 G C 0.280 175.119 174.900 -0.102 0.000 1.025 79 G CA 0.182 45.055 45.100 -0.379 0.000 0.769 79 G HN 1.092 nan 8.290 nan 0.000 0.507 80 W N -2.112 119.251 121.300 0.105 0.000 4.233 80 W HA -0.205 4.455 4.660 0.001 0.000 0.328 80 W C 0.673 177.361 176.519 0.281 0.000 1.212 80 W CA 0.365 57.866 57.345 0.260 0.000 0.752 80 W CB -1.813 27.705 29.460 0.097 0.000 2.277 80 W HN 0.590 nan 8.180 nan 0.000 1.465 81 N N 0.814 119.703 118.700 0.315 0.000 2.485 81 N HA 0.188 4.928 4.740 0.001 0.000 0.243 81 N C -1.194 174.477 175.510 0.269 0.000 0.987 81 N CA -1.762 51.437 53.050 0.249 0.000 0.940 81 N CB 1.468 40.025 38.487 0.116 0.000 1.122 81 N HN -0.239 nan 8.380 nan 0.000 0.509 82 P HA -0.171 nan 4.420 nan 0.000 0.216 82 P C 0.904 178.319 177.300 0.193 0.000 1.157 82 P CA 1.718 65.031 63.100 0.356 0.000 0.880 82 P CB 0.286 32.187 31.700 0.334 0.000 0.791 83 A N -0.904 121.998 122.820 0.137 0.000 1.902 83 A HA -0.171 4.149 4.320 0.001 0.000 0.217 83 A C 2.342 179.947 177.584 0.036 0.000 1.181 83 A CA 1.979 54.062 52.037 0.077 0.000 0.623 83 A CB -1.681 17.352 19.000 0.055 0.000 0.818 83 A HN 0.052 nan 8.150 nan 0.000 0.443 84 V N -1.299 118.637 119.914 0.036 0.000 2.358 84 V HA -0.209 3.912 4.120 0.001 0.000 0.246 84 V C 2.253 178.358 176.094 0.019 0.000 1.047 84 V CA 1.920 64.218 62.300 -0.003 0.000 1.035 84 V CB -0.979 30.845 31.823 0.001 0.000 0.658 84 V HN 0.623 nan 8.190 nan 0.000 0.452 85 F N 0.449 120.300 119.950 -0.164 0.000 2.091 85 F HA -0.220 4.308 4.527 0.001 0.000 0.299 85 F C 2.042 177.742 175.800 -0.166 0.000 1.103 85 F CA 1.802 59.634 58.000 -0.281 0.000 1.228 85 F CB -0.189 38.232 39.000 -0.964 0.000 0.984 85 F HN 0.025 nan 8.300 nan 0.000 0.477 86 L N 0.168 121.350 121.223 -0.068 0.000 2.044 86 L HA -0.174 4.166 4.340 0.001 0.000 0.205 86 L C 2.647 179.371 176.870 -0.243 0.000 1.075 86 L CA 1.695 56.443 54.840 -0.154 0.000 0.747 86 L CB -0.662 41.404 42.059 0.011 0.000 0.903 86 L HN 0.182 nan 8.230 nan 0.000 0.435 87 R N -0.600 119.796 120.500 -0.174 0.000 2.148 87 R HA -0.089 4.252 4.340 0.001 0.000 0.223 87 R C 0.836 176.971 176.300 -0.275 0.000 1.088 87 R CA 1.489 57.487 56.100 -0.170 0.000 0.985 87 R CB -0.297 29.926 30.300 -0.128 0.000 0.880 87 R HN 0.182 nan 8.270 nan 0.000 0.451 88 D N 0.104 120.228 120.400 -0.462 0.000 2.395 88 D HA 0.030 4.671 4.640 0.001 0.000 0.213 88 D C 1.263 176.885 176.300 -1.129 0.000 1.110 88 D CA -0.136 53.411 54.000 -0.754 0.000 0.835 88 D CB 0.449 40.615 40.800 -1.055 0.000 0.965 88 D HN 0.114 nan 8.370 nan 0.000 0.505 89 L N 0.127 120.814 121.223 -0.892 0.000 2.051 89 L HA -0.224 4.116 4.340 0.001 0.000 0.214 89 L C 1.418 177.778 176.870 -0.850 0.000 1.076 89 L CA 1.846 56.133 54.840 -0.920 0.000 0.758 89 L CB -0.532 40.879 42.059 -1.081 0.000 0.890 89 L HN -0.068 nan 8.230 nan 0.000 0.433 90 F N -1.935 117.680 119.950 -0.558 0.000 2.661 90 F HA 0.023 4.551 4.527 0.001 0.000 0.298 90 F C 1.669 176.873 175.800 -0.993 0.000 1.137 90 F CA 0.388 57.809 58.000 -0.964 0.000 1.454 90 F CB -0.717 37.250 39.000 -1.721 0.000 1.103 90 F HN 0.020 nan 8.300 nan 0.000 0.577 91 F N -1.706 117.918 119.950 -0.544 0.000 2.619 91 F HA 0.175 4.702 4.527 0.001 0.000 0.293 91 F C 0.808 176.359 175.800 -0.415 0.000 1.119 91 F CA -0.719 57.080 58.000 -0.335 0.000 1.445 91 F CB -0.797 38.002 39.000 -0.334 0.000 1.119 91 F HN -0.312 nan 8.300 nan 0.000 0.573 92 F N 0.589 120.295 119.950 -0.408 0.000 2.545 92 F HA 0.335 4.862 4.527 0.001 0.000 0.348 92 F C 0.785 176.278 175.800 -0.512 0.000 1.163 92 F CA -0.524 57.033 58.000 -0.739 0.000 1.331 92 F CB 0.312 38.252 39.000 -1.765 0.000 1.138 92 F HN -0.302 nan 8.300 nan 0.000 0.602 93 S N 2.880 118.654 115.700 0.124 0.000 2.566 93 S HA 0.422 4.892 4.470 0.001 0.000 0.273 93 S C -1.474 173.530 174.600 0.673 0.000 1.157 93 S CA -0.838 57.612 58.200 0.417 0.000 0.938 93 S CB 0.782 64.171 63.200 0.314 0.000 1.087 93 S HN 0.654 nan 8.310 nan 0.000 0.474 94 L N 4.768 126.406 121.223 0.692 0.000 2.270 94 L HA 0.486 4.827 4.340 0.001 0.000 0.286 94 L C -0.260 176.842 176.870 0.387 0.000 1.059 94 L CA -0.316 54.770 54.840 0.411 0.000 0.839 94 L CB 0.413 42.750 42.059 0.464 0.000 1.221 94 L HN 0.722 nan 8.230 nan 0.000 0.431 95 E N 6.109 126.405 120.200 0.160 0.000 2.313 95 E HA 0.384 4.734 4.350 0.001 0.000 0.272 95 E C -2.287 174.169 176.600 -0.241 0.000 1.038 95 E CA -1.723 54.687 56.400 0.017 0.000 0.863 95 E CB 1.055 30.776 29.700 0.035 0.000 1.060 95 E HN 0.416 nan 8.360 nan 0.000 0.402 96 P HA 0.231 nan 4.420 nan 0.000 0.275 96 P C -2.557 174.487 177.300 -0.427 0.000 1.266 96 P CA -1.520 60.870 63.100 -1.182 0.000 0.793 96 P CB -0.466 30.166 31.700 -1.780 0.000 1.074 97 P HA 0.054 nan 4.420 nan 0.000 0.268 97 P C -0.183 177.156 177.300 0.065 0.000 1.208 97 P CA 0.341 63.411 63.100 -0.049 0.000 0.777 97 P CB 0.008 31.728 31.700 0.033 0.000 0.875 98 A N 4.375 127.329 122.820 0.223 0.000 2.386 98 A HA 0.242 4.562 4.320 0.001 0.000 0.246 98 A C -1.317 176.358 177.584 0.152 0.000 1.089 98 A CA -0.777 51.362 52.037 0.170 0.000 0.790 98 A CB -1.110 17.996 19.000 0.177 0.000 1.042 98 A HN 0.429 nan 8.150 nan 0.000 0.497 99 P HA -0.161 nan 4.420 nan 0.000 0.216 99 P C 0.731 178.027 177.300 -0.008 0.000 1.150 99 P CA 1.549 64.662 63.100 0.021 0.000 0.843 99 P CB 0.105 31.800 31.700 -0.008 0.000 0.787 100 E N -1.827 118.335 120.200 -0.064 0.000 2.267 100 E HA -0.193 4.157 4.350 0.001 0.000 0.197 100 E C 1.365 177.833 176.600 -0.219 0.000 0.998 100 E CA 1.163 57.456 56.400 -0.178 0.000 0.830 100 E CB -1.054 28.470 29.700 -0.294 0.000 0.751 100 E HN 0.475 nan 8.360 nan 0.000 0.491 101 Y N -0.267 120.038 120.300 0.008 0.000 2.546 101 Y HA 0.163 4.713 4.550 0.001 0.000 0.287 101 Y C 1.818 177.719 175.900 0.003 0.000 1.158 101 Y CA 0.496 58.611 58.100 0.025 0.000 1.307 101 Y CB -0.197 38.305 38.460 0.070 0.000 1.036 101 Y HN 0.109 nan 8.280 nan 0.000 0.532 102 G N 0.863 109.710 108.800 0.079 0.000 2.611 102 G HA2 -0.352 3.609 3.960 0.001 0.000 0.301 102 G HA3 -0.352 3.609 3.960 0.001 0.000 0.301 102 G C 0.478 175.302 174.900 -0.128 0.000 1.233 102 G CA 0.565 45.639 45.100 -0.044 0.000 0.993 102 G HN 0.258 nan 8.290 nan 0.000 0.553 103 L N 1.946 123.011 121.223 -0.264 0.000 2.872 103 L HA 0.388 4.728 4.340 0.001 0.000 0.245 103 L C 1.464 178.236 176.870 -0.163 0.000 1.211 103 L CA 0.427 54.931 54.840 -0.560 0.000 1.013 103 L CB 0.077 41.739 42.059 -0.662 0.000 1.326 103 L HN 0.661 nan 8.230 nan 0.000 0.525 104 S N -1.232 114.459 115.700 -0.015 0.000 2.652 104 S HA 0.370 4.840 4.470 0.001 0.000 0.270 104 S C 0.141 174.736 174.600 -0.007 0.000 1.243 104 S CA -0.444 57.679 58.200 -0.128 0.000 0.999 104 S CB 0.867 64.077 63.200 0.016 0.000 0.973 104 S HN 0.124 nan 8.310 nan 0.000 0.544 105 F N 0.123 120.182 119.950 0.182 0.000 2.668 105 F HA 0.491 5.019 4.527 0.001 0.000 0.297 105 F C 1.739 177.546 175.800 0.012 0.000 1.124 105 F CA -0.791 57.252 58.000 0.071 0.000 1.353 105 F CB -0.840 38.178 39.000 0.031 0.000 0.992 105 F HN 0.769 nan 8.300 nan 0.000 0.524 106 A N 0.114 123.022 122.820 0.147 0.000 2.169 106 A HA 0.476 4.796 4.320 0.001 0.000 0.212 106 A C 1.606 179.163 177.584 -0.045 0.000 1.153 106 A CA 0.397 52.493 52.037 0.097 0.000 0.756 106 A CB -0.649 18.448 19.000 0.161 0.000 0.813 106 A HN 0.180 nan 8.150 nan 0.000 0.471 107 A N 1.160 123.795 122.820 -0.308 0.000 2.540 107 A HA 0.440 4.761 4.320 0.001 0.000 0.239 107 A C -2.282 175.118 177.584 -0.307 0.000 1.061 107 A CA -0.691 50.889 52.037 -0.761 0.000 0.758 107 A CB -0.477 18.012 19.000 -0.851 0.000 0.991 107 A HN 0.262 nan 8.150 nan 0.000 0.502 108 P HA 0.115 nan 4.420 nan 0.000 0.269 108 P C 1.016 178.263 177.300 -0.088 0.000 1.209 108 P CA -0.338 62.718 63.100 -0.074 0.000 0.776 108 P CB 0.444 32.145 31.700 0.000 0.000 0.876 109 L N 1.930 123.123 121.223 -0.051 0.000 2.034 109 L HA -0.269 4.071 4.340 0.001 0.000 0.217 109 L C 1.818 178.620 176.870 -0.113 0.000 1.077 109 L CA 1.938 56.742 54.840 -0.061 0.000 0.769 109 L CB -0.666 41.381 42.059 -0.020 0.000 0.890 109 L HN 0.471 nan 8.230 nan 0.000 0.435 110 K N -0.120 120.243 120.400 -0.062 0.000 2.525 110 K HA -0.029 4.292 4.320 0.001 0.000 0.192 110 K C 0.265 176.804 176.600 -0.100 0.000 1.029 110 K CA 0.492 56.738 56.287 -0.068 0.000 1.029 110 K CB 0.105 32.700 32.500 0.159 0.000 0.814 110 K HN 0.412 nan 8.250 nan 0.000 0.503 111 E N -0.486 119.654 120.200 -0.101 0.000 3.306 111 E HA 0.155 4.506 4.350 0.001 0.000 0.197 111 E C 0.365 176.880 176.600 -0.141 0.000 0.980 111 E CA -0.219 56.139 56.400 -0.070 0.000 1.259 111 E CB 1.330 31.040 29.700 0.018 0.000 1.112 111 E HN 0.326 nan 8.360 nan 0.000 0.458 112 G N 0.004 108.709 108.800 -0.159 0.000 2.428 112 G HA2 -0.244 3.716 3.960 0.001 0.000 0.199 112 G HA3 -0.244 3.716 3.960 0.001 0.000 0.199 112 G C 1.123 176.011 174.900 -0.020 0.000 1.005 112 G CA -0.181 44.859 45.100 -0.100 0.000 0.671 112 G HN 0.429 nan 8.290 nan 0.000 0.485 113 G N 0.748 109.496 108.800 -0.087 0.000 2.418 113 G HA2 0.068 4.028 3.960 0.001 0.000 0.217 113 G HA3 0.068 4.028 3.960 0.001 0.000 0.217 113 G C 1.701 176.584 174.900 -0.028 0.000 1.158 113 G CA 1.582 46.651 45.100 -0.053 0.000 0.771 113 G HN 0.513 nan 8.290 nan 0.000 0.545 114 L N -0.666 120.525 121.223 -0.054 0.000 2.093 114 L HA 0.090 4.431 4.340 0.001 0.000 0.208 114 L C 2.305 179.184 176.870 0.016 0.000 1.085 114 L CA 0.929 55.743 54.840 -0.044 0.000 0.755 114 L CB -1.035 40.941 42.059 -0.138 0.000 0.904 114 L HN 0.548 nan 8.230 nan 0.000 0.435 115 W N -0.329 120.904 121.300 -0.112 0.000 2.363 115 W HA -0.194 4.466 4.660 0.001 0.000 0.296 115 W C 2.264 178.802 176.519 0.031 0.000 1.212 115 W CA 1.361 58.724 57.345 0.030 0.000 1.260 115 W CB -0.065 29.384 29.460 -0.018 0.000 1.131 115 W HN 0.060 nan 8.180 nan 0.000 0.530 116 L N 0.088 121.409 121.223 0.164 0.000 2.056 116 L HA -0.214 4.127 4.340 0.001 0.000 0.207 116 L C 2.390 179.139 176.870 -0.203 0.000 1.078 116 L CA 1.290 56.075 54.840 -0.091 0.000 0.749 116 L CB -0.739 41.275 42.059 -0.074 0.000 0.901 116 L HN 0.012 nan 8.230 nan 0.000 0.433 117 I N -0.247 120.241 120.570 -0.136 0.000 2.226 117 I HA -0.285 3.885 4.170 0.001 0.000 0.245 117 I C 2.788 178.885 176.117 -0.033 0.000 1.100 117 I CA 1.174 62.386 61.300 -0.148 0.000 1.374 117 I CB -0.446 37.527 38.000 -0.044 0.000 1.057 117 I HN 0.198 nan 8.210 nan 0.000 0.413 118 A N 0.092 122.923 122.820 0.018 0.000 1.902 118 A HA -0.199 4.121 4.320 0.001 0.000 0.217 118 A C 2.471 180.124 177.584 0.114 0.000 1.181 118 A CA 2.234 54.339 52.037 0.113 0.000 0.623 118 A CB -0.714 18.153 19.000 -0.222 0.000 0.818 118 A HN 0.397 nan 8.150 nan 0.000 0.443 119 S N -1.203 114.404 115.700 -0.155 0.000 2.402 119 S HA -0.087 4.384 4.470 0.001 0.000 0.229 119 S C 1.610 176.310 174.600 0.167 0.000 1.021 119 S CA 1.261 59.410 58.200 -0.086 0.000 0.974 119 S CB -0.473 62.364 63.200 -0.605 0.000 0.800 119 S HN 0.638 nan 8.310 nan 0.000 0.484 120 F N 1.932 121.819 119.950 -0.106 0.000 2.075 120 F HA -0.076 4.452 4.527 0.001 0.000 0.297 120 F C 1.665 177.482 175.800 0.029 0.000 1.113 120 F CA 1.222 59.148 58.000 -0.123 0.000 1.218 120 F CB -0.501 38.250 39.000 -0.415 0.000 0.984 120 F HN 0.100 nan 8.300 nan 0.000 0.472 121 F N 0.205 120.204 119.950 0.081 0.000 2.126 121 F HA -0.229 4.299 4.527 0.001 0.000 0.299 121 F C 2.670 178.414 175.800 -0.092 0.000 1.096 121 F CA 1.789 59.781 58.000 -0.013 0.000 1.255 121 F CB -1.140 37.943 39.000 0.140 0.000 0.997 121 F HN 0.082 nan 8.300 nan 0.000 0.479 122 M N -1.312 118.301 119.600 0.022 0.000 2.175 122 M HA -0.213 4.267 4.480 0.001 0.000 0.264 122 M C 2.256 178.541 176.300 -0.026 0.000 1.063 122 M CA 1.575 56.665 55.300 -0.351 0.000 1.119 122 M CB -0.397 31.727 32.600 -0.794 0.000 1.377 122 M HN 0.157 nan 8.290 nan 0.000 0.415 123 F N 0.323 120.334 119.950 0.102 0.000 2.069 123 F HA -0.221 4.306 4.527 0.001 0.000 0.298 123 F C 1.855 177.739 175.800 0.141 0.000 1.113 123 F CA 1.981 60.119 58.000 0.229 0.000 1.214 123 F CB -0.513 38.472 39.000 -0.024 0.000 0.978 123 F HN -0.083 nan 8.300 nan 0.000 0.474 124 V N 0.453 120.405 119.914 0.063 0.000 2.343 124 V HA -0.297 3.823 4.120 0.001 0.000 0.247 124 V C 2.708 178.827 176.094 0.041 0.000 1.051 124 V CA 1.690 63.999 62.300 0.015 0.000 1.036 124 V CB -1.613 30.150 31.823 -0.100 0.000 0.654 124 V HN 0.498 nan 8.190 nan 0.000 0.451 125 A N 0.011 122.832 122.820 0.002 0.000 1.865 125 A HA -0.190 4.130 4.320 0.001 0.000 0.217 125 A C 2.410 179.973 177.584 -0.036 0.000 1.191 125 A CA 2.382 54.416 52.037 -0.004 0.000 0.623 125 A CB -0.845 18.100 19.000 -0.092 0.000 0.826 125 A HN 0.325 nan 8.150 nan 0.000 0.444 126 V N -2.308 117.447 119.914 -0.265 0.000 2.295 126 V HA -0.294 3.827 4.120 0.001 0.000 0.246 126 V C 2.295 178.236 176.094 -0.254 0.000 1.049 126 V CA 1.939 63.984 62.300 -0.425 0.000 1.024 126 V CB -1.079 30.055 31.823 -1.149 0.000 0.648 126 V HN 0.785 nan 8.190 nan 0.000 0.447 127 W N 0.757 121.939 121.300 -0.197 0.000 2.388 127 W HA -0.162 4.498 4.660 0.001 0.000 0.294 127 W C 2.943 179.529 176.519 0.112 0.000 1.212 127 W CA 1.491 58.772 57.345 -0.106 0.000 1.271 127 W CB -0.465 28.782 29.460 -0.355 0.000 1.126 127 W HN 0.359 nan 8.180 nan 0.000 0.535 128 S N -1.013 114.865 115.700 0.295 0.000 2.402 128 S HA -0.233 4.237 4.470 0.001 0.000 0.229 128 S C 1.669 176.422 174.600 0.255 0.000 1.021 128 S CA 0.846 59.199 58.200 0.255 0.000 0.974 128 S CB -1.200 62.121 63.200 0.202 0.000 0.800 128 S HN 0.486 nan 8.310 nan 0.000 0.484 129 W N 0.887 122.265 121.300 0.130 0.000 2.402 129 W HA -0.064 4.596 4.660 0.001 0.000 0.286 129 W C 1.863 178.534 176.519 0.252 0.000 1.221 129 W CA 0.897 58.322 57.345 0.134 0.000 1.257 129 W CB -0.434 29.085 29.460 0.097 0.000 1.120 129 W HN 0.518 nan 8.180 nan 0.000 0.551 130 W N 1.529 123.030 121.300 0.334 0.000 2.381 130 W HA -0.057 4.603 4.660 0.001 0.000 0.301 130 W C 2.439 179.049 176.519 0.152 0.000 1.205 130 W CA 3.121 60.649 57.345 0.305 0.000 1.285 130 W CB -0.850 28.599 29.460 -0.019 0.000 1.133 130 W HN -0.128 nan 8.180 nan 0.000 0.521 131 G N 0.381 109.274 108.800 0.155 0.000 2.432 131 G HA2 -0.300 3.660 3.960 0.001 0.000 0.219 131 G HA3 -0.300 3.660 3.960 0.001 0.000 0.219 131 G C 1.610 176.361 174.900 -0.249 0.000 1.135 131 G CA 0.984 46.020 45.100 -0.107 0.000 0.767 131 G HN 0.328 nan 8.290 nan 0.000 0.550 132 R N 0.477 120.820 120.500 -0.261 0.000 2.081 132 R HA -0.109 4.231 4.340 0.001 0.000 0.235 132 R C 2.852 178.855 176.300 -0.496 0.000 1.131 132 R CA 2.090 57.946 56.100 -0.407 0.000 0.960 132 R CB -0.620 29.309 30.300 -0.618 0.000 0.856 132 R HN 0.457 nan 8.270 nan 0.000 0.436 133 T N -2.009 112.227 114.554 -0.531 0.000 2.833 133 T HA -0.204 4.147 4.350 0.001 0.000 0.269 133 T C 1.786 176.204 174.700 -0.470 0.000 1.054 133 T CA 1.158 62.972 62.100 -0.476 0.000 1.135 133 T CB -0.512 68.141 68.868 -0.359 0.000 0.869 133 T HN 0.420 nan 8.240 nan 0.000 0.466 134 Y N 1.731 121.622 120.300 -0.682 0.000 2.153 134 Y HA 0.210 4.761 4.550 0.001 0.000 0.289 134 Y C 2.157 177.780 175.900 -0.462 0.000 1.127 134 Y CA 0.941 58.642 58.100 -0.664 0.000 1.131 134 Y CB -0.332 37.609 38.460 -0.864 0.000 0.995 134 Y HN 0.128 nan 8.280 nan 0.000 0.505 135 L N -0.226 120.893 121.223 -0.173 0.000 2.046 135 L HA -0.218 4.122 4.340 0.001 0.000 0.208 135 L C 2.527 179.203 176.870 -0.323 0.000 1.077 135 L CA 1.138 55.867 54.840 -0.184 0.000 0.747 135 L CB -0.537 41.431 42.059 -0.150 0.000 0.896 135 L HN 0.121 nan 8.230 nan 0.000 0.432 136 R N 0.230 120.491 120.500 -0.397 0.000 2.159 136 R HA -0.107 4.234 4.340 0.001 0.000 0.237 136 R C 2.178 178.258 176.300 -0.365 0.000 1.131 136 R CA 1.377 57.214 56.100 -0.438 0.000 0.982 136 R CB -0.730 29.304 30.300 -0.443 0.000 0.868 136 R HN 0.387 nan 8.270 nan 0.000 0.453 137 A N 0.767 123.355 122.820 -0.386 0.000 1.898 137 A HA -0.136 4.184 4.320 0.001 0.000 0.214 137 A C 2.167 179.541 177.584 -0.350 0.000 1.183 137 A CA 0.888 52.704 52.037 -0.368 0.000 0.622 137 A CB -0.340 18.393 19.000 -0.446 0.000 0.824 137 A HN 0.320 nan 8.150 nan 0.000 0.444 138 Q N -0.294 119.268 119.800 -0.397 0.000 2.124 138 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 138 Q C 2.019 177.895 176.000 -0.208 0.000 0.977 138 Q CA 1.497 57.118 55.803 -0.304 0.000 0.850 138 Q CB -0.313 28.275 28.738 -0.250 0.000 0.901 138 Q HN 0.591 nan 8.270 nan 0.000 0.429 139 A N 0.087 122.776 122.820 -0.219 0.000 2.121 139 A HA -0.041 4.280 4.320 0.001 0.000 0.218 139 A C 1.635 179.126 177.584 -0.156 0.000 1.154 139 A CA 0.739 52.669 52.037 -0.179 0.000 0.679 139 A CB -0.128 18.736 19.000 -0.227 0.000 0.795 139 A HN 0.435 nan 8.150 nan 0.000 0.458 140 L N -1.665 119.453 121.223 -0.175 0.000 2.640 140 L HA 0.274 4.615 4.340 0.001 0.000 0.230 140 L C 1.569 178.362 176.870 -0.127 0.000 1.123 140 L CA 0.466 55.220 54.840 -0.142 0.000 0.900 140 L CB 0.179 42.146 42.059 -0.154 0.000 1.146 140 L HN 0.493 nan 8.230 nan 0.000 0.484 141 G N 0.406 109.124 108.800 -0.137 0.000 2.155 141 G HA2 -0.318 3.642 3.960 0.001 0.000 0.257 141 G HA3 -0.318 3.642 3.960 0.001 0.000 0.257 141 G C 0.318 175.145 174.900 -0.122 0.000 0.983 141 G CA 0.351 45.382 45.100 -0.116 0.000 0.676 141 G HN 0.276 nan 8.290 nan 0.000 0.528 142 M N 0.327 119.834 119.600 -0.156 0.000 2.197 142 M HA 0.525 5.005 4.480 0.001 0.000 0.305 142 M C 1.450 177.654 176.300 -0.160 0.000 1.162 142 M CA 0.152 55.364 55.300 -0.147 0.000 1.099 142 M CB 0.505 33.007 32.600 -0.163 0.000 1.430 142 M HN 0.202 nan 8.290 nan 0.000 0.481 143 G N 0.391 109.145 108.800 -0.077 0.000 2.634 143 G HA2 0.174 4.135 3.960 0.001 0.000 0.255 143 G HA3 0.174 4.135 3.960 0.001 0.000 0.255 143 G C 0.197 174.999 174.900 -0.163 0.000 1.205 143 G CA -0.579 44.516 45.100 -0.009 0.000 0.884 143 G HN 0.620 nan 8.290 nan 0.000 0.549 144 K N -0.208 119.969 120.400 -0.371 0.000 2.500 144 K HA 0.106 4.427 4.320 0.001 0.000 0.206 144 K C 1.373 177.556 176.600 -0.695 0.000 1.034 144 K CA -0.147 55.706 56.287 -0.722 0.000 1.179 144 K CB -0.068 31.763 32.500 -1.115 0.000 0.884 144 K HN 0.595 nan 8.250 nan 0.000 0.493 145 H N 0.318 119.194 119.070 -0.322 0.000 2.426 145 H HA -0.104 4.453 4.556 0.001 0.000 0.298 145 H C 1.663 176.920 175.328 -0.117 0.000 1.107 145 H CA 2.038 58.005 56.048 -0.135 0.000 1.298 145 H CB -0.234 29.477 29.762 -0.085 0.000 1.377 145 H HN 0.091 nan 8.280 nan 0.000 0.519 146 T N -0.093 114.421 114.554 -0.066 0.000 2.812 146 T HA -0.076 4.275 4.350 0.001 0.000 0.264 146 T C 2.378 177.081 174.700 0.004 0.000 1.042 146 T CA 1.125 63.192 62.100 -0.055 0.000 1.140 146 T CB -0.437 68.352 68.868 -0.133 0.000 0.870 146 T HN 0.525 nan 8.240 nan 0.000 0.445 147 A N 0.398 123.120 122.820 -0.164 0.000 1.933 147 A HA -0.065 4.255 4.320 0.001 0.000 0.218 147 A C 2.142 180.023 177.584 0.494 0.000 1.175 147 A CA 1.070 53.067 52.037 -0.067 0.000 0.628 147 A CB -1.055 17.610 19.000 -0.558 0.000 0.814 147 A HN 0.728 nan 8.150 nan 0.000 0.444 148 W N -0.569 120.877 121.300 0.243 0.000 2.379 148 W HA -0.025 4.636 4.660 0.001 0.000 0.307 148 W C 2.785 179.374 176.519 0.116 0.000 1.200 148 W CA 0.464 57.914 57.345 0.176 0.000 1.297 148 W CB -0.069 29.390 29.460 -0.001 0.000 1.140 148 W HN 0.400 nan 8.180 nan 0.000 0.507 149 A N 0.193 123.201 122.820 0.313 0.000 1.933 149 A HA -0.250 4.071 4.320 0.001 0.000 0.218 149 A C 1.731 179.496 177.584 0.303 0.000 1.175 149 A CA 1.376 53.520 52.037 0.177 0.000 0.628 149 A CB -1.181 17.874 19.000 0.091 0.000 0.814 149 A HN 0.344 nan 8.150 nan 0.000 0.444 150 F N 0.557 120.625 119.950 0.197 0.000 2.171 150 F HA -0.107 4.421 4.527 0.001 0.000 0.300 150 F C 1.894 177.830 175.800 0.226 0.000 1.090 150 F CA 0.931 59.062 58.000 0.217 0.000 1.293 150 F CB -0.647 38.524 39.000 0.286 0.000 1.013 150 F HN 0.155 nan 8.300 nan 0.000 0.486 151 L N -0.818 120.592 121.223 0.312 0.000 2.079 151 L HA -0.277 4.063 4.340 0.001 0.000 0.210 151 L C 2.758 179.670 176.870 0.069 0.000 1.081 151 L CA 1.745 56.604 54.840 0.032 0.000 0.752 151 L CB -0.815 41.343 42.059 0.164 0.000 0.896 151 L HN 0.228 nan 8.230 nan 0.000 0.433 152 S N -0.600 115.182 115.700 0.137 0.000 2.370 152 S HA -0.201 4.270 4.470 0.001 0.000 0.226 152 S C 2.054 176.791 174.600 0.228 0.000 1.033 152 S CA 1.327 59.620 58.200 0.155 0.000 1.011 152 S CB -0.033 63.225 63.200 0.097 0.000 0.852 152 S HN 0.491 nan 8.310 nan 0.000 0.457 153 A N 1.254 124.192 122.820 0.196 0.000 1.898 153 A HA 0.074 4.394 4.320 0.001 0.000 0.216 153 A C 2.117 179.789 177.584 0.146 0.000 1.181 153 A CA 1.357 53.510 52.037 0.193 0.000 0.620 153 A CB -0.773 18.381 19.000 0.256 0.000 0.819 153 A HN 0.609 nan 8.150 nan 0.000 0.442 154 I N -1.156 119.407 120.570 -0.012 0.000 2.264 154 I HA -0.303 3.868 4.170 0.001 0.000 0.248 154 I C 2.485 178.727 176.117 0.209 0.000 1.111 154 I CA 1.470 62.731 61.300 -0.065 0.000 1.382 154 I CB -0.320 37.312 38.000 -0.614 0.000 1.060 154 I HN 0.765 nan 8.210 nan 0.000 0.418 155 W N 1.740 123.045 121.300 0.009 0.000 2.333 155 W HA -0.272 4.388 4.660 0.001 0.000 0.316 155 W C 2.270 178.835 176.519 0.077 0.000 1.215 155 W CA 1.427 58.798 57.345 0.043 0.000 1.278 155 W CB -0.427 29.045 29.460 0.019 0.000 1.154 155 W HN 0.135 nan 8.180 nan 0.000 0.486 156 L N 0.381 121.596 121.223 -0.014 0.000 2.012 156 L HA -0.239 4.102 4.340 0.001 0.000 0.210 156 L C 2.500 179.335 176.870 -0.058 0.000 1.073 156 L CA 2.634 57.386 54.840 -0.147 0.000 0.748 156 L CB -1.142 40.943 42.059 0.043 0.000 0.891 156 L HN 0.238 nan 8.230 nan 0.000 0.431 157 W N 0.392 121.641 121.300 -0.086 0.000 2.358 157 W HA -0.260 4.400 4.660 0.001 0.000 0.303 157 W C 2.396 178.948 176.519 0.055 0.000 1.208 157 W CA 1.342 58.666 57.345 -0.035 0.000 1.274 157 W CB -0.239 29.188 29.460 -0.055 0.000 1.138 157 W HN 0.054 nan 8.180 nan 0.000 0.515 158 M N 0.211 119.678 119.600 -0.221 0.000 2.086 158 M HA -0.181 4.299 4.480 0.001 0.000 0.261 158 M C 1.965 178.159 176.300 -0.177 0.000 1.067 158 M CA 1.522 56.652 55.300 -0.284 0.000 1.116 158 M CB -1.649 30.941 32.600 -0.016 0.000 1.348 158 M HN -0.025 nan 8.290 nan 0.000 0.407 159 V N 0.657 120.374 119.914 -0.330 0.000 2.287 159 V HA -0.283 3.838 4.120 0.001 0.000 0.248 159 V C 2.538 178.520 176.094 -0.187 0.000 1.053 159 V CA 1.584 63.669 62.300 -0.358 0.000 1.027 159 V CB -0.722 30.721 31.823 -0.633 0.000 0.646 159 V HN 0.401 nan 8.190 nan 0.000 0.447 160 L N 0.156 121.265 121.223 -0.188 0.000 2.017 160 L HA -0.079 4.261 4.340 0.001 0.000 0.208 160 L C 2.291 179.068 176.870 -0.154 0.000 1.073 160 L CA 1.888 56.641 54.840 -0.145 0.000 0.745 160 L CB -0.731 41.226 42.059 -0.170 0.000 0.894 160 L HN 0.492 nan 8.230 nan 0.000 0.432 161 G N -2.824 105.825 108.800 -0.251 0.000 3.159 161 G HA2 0.119 4.080 3.960 0.001 0.000 0.232 161 G HA3 0.119 4.080 3.960 0.001 0.000 0.232 161 G C 0.759 175.302 174.900 -0.594 0.000 1.116 161 G CA -0.078 44.790 45.100 -0.386 0.000 0.767 161 G HN 0.208 nan 8.290 nan 0.000 0.547 162 F N -0.565 119.394 119.950 0.016 0.000 2.102 162 F HA 0.354 4.881 4.527 0.001 0.000 0.254 162 F C 2.219 178.062 175.800 0.072 0.000 0.975 162 F CA -0.257 57.831 58.000 0.147 0.000 1.176 162 F CB -0.145 38.887 39.000 0.053 0.000 1.358 162 F HN -0.080 nan 8.300 nan 0.000 0.728 163 I N 0.693 121.376 120.570 0.190 0.000 2.142 163 I HA -0.276 3.895 4.170 0.001 0.000 0.240 163 I C 2.581 178.714 176.117 0.027 0.000 1.078 163 I CA 1.700 63.048 61.300 0.079 0.000 1.343 163 I CB -0.463 37.544 38.000 0.012 0.000 1.046 163 I HN 0.121 nan 8.210 nan 0.000 0.405 164 R N 0.999 121.504 120.500 0.007 0.000 2.073 164 R HA -0.134 4.206 4.340 0.001 0.000 0.234 164 R C -0.387 175.932 176.300 0.031 0.000 1.134 164 R CA 1.715 57.833 56.100 0.029 0.000 0.952 164 R CB -1.100 29.238 30.300 0.063 0.000 0.850 164 R HN 0.201 nan 8.270 nan 0.000 0.433 165 P HA -0.152 nan 4.420 nan 0.000 0.216 165 P C 1.042 178.236 177.300 -0.178 0.000 1.150 165 P CA 1.389 64.478 63.100 -0.017 0.000 0.837 165 P CB 0.001 31.746 31.700 0.075 0.000 0.786 166 I N -1.467 118.994 120.570 -0.182 0.000 2.202 166 I HA -0.196 3.974 4.170 0.001 0.000 0.242 166 I C 2.218 178.249 176.117 -0.144 0.000 1.091 166 I CA 1.212 62.365 61.300 -0.244 0.000 1.368 166 I CB -0.595 37.324 38.000 -0.134 0.000 1.058 166 I HN -0.115 nan 8.210 nan 0.000 0.410 167 L N -0.176 121.007 121.223 -0.068 0.000 2.187 167 L HA -0.189 4.151 4.340 0.001 0.000 0.213 167 L C 2.082 178.922 176.870 -0.049 0.000 1.100 167 L CA 1.312 56.128 54.840 -0.041 0.000 0.765 167 L CB -0.289 41.767 42.059 -0.005 0.000 0.904 167 L HN 0.344 nan 8.230 nan 0.000 0.437 168 M N -0.830 118.736 119.600 -0.057 0.000 2.419 168 M HA 0.197 4.677 4.480 0.001 0.000 0.252 168 M C 1.068 177.312 176.300 -0.094 0.000 1.143 168 M CA 0.203 55.472 55.300 -0.052 0.000 0.985 168 M CB 0.477 33.070 32.600 -0.011 0.000 1.489 168 M HN 0.292 nan 8.290 nan 0.000 0.484 169 G N 1.884 110.596 108.800 -0.147 0.000 2.341 169 G HA2 -0.251 3.709 3.960 0.001 0.000 0.292 169 G HA3 -0.251 3.709 3.960 0.001 0.000 0.292 169 G C -0.036 174.729 174.900 -0.226 0.000 1.021 169 G CA 0.735 45.718 45.100 -0.195 0.000 0.905 169 G HN 0.527 nan 8.290 nan 0.000 0.508 170 S N -2.051 113.487 115.700 -0.270 0.000 2.605 170 S HA 0.392 4.863 4.470 0.001 0.000 0.279 170 S C 0.533 175.023 174.600 -0.184 0.000 1.166 170 S CA 0.034 58.106 58.200 -0.215 0.000 0.975 170 S CB 0.322 63.470 63.200 -0.086 0.000 1.111 170 S HN 0.363 nan 8.310 nan 0.000 0.465 171 W N 2.809 124.081 121.300 -0.047 0.000 2.465 171 W HA -0.050 4.611 4.660 0.001 0.000 0.268 171 W C 2.516 178.871 176.519 -0.273 0.000 1.242 171 W CA 0.739 58.005 57.345 -0.133 0.000 1.248 171 W CB 0.055 29.445 29.460 -0.116 0.000 1.118 171 W HN 0.883 nan 8.180 nan 0.000 0.587 172 S N -0.157 115.563 115.700 0.033 0.000 2.500 172 S HA -0.153 4.317 4.470 0.001 0.000 0.239 172 S C 1.405 176.031 174.600 0.043 0.000 0.989 172 S CA 1.030 59.215 58.200 -0.025 0.000 0.951 172 S CB -0.217 62.993 63.200 0.016 0.000 0.759 172 S HN 0.206 nan 8.310 nan 0.000 0.523 173 E N 1.459 121.712 120.200 0.088 0.000 2.435 173 E HA 0.331 4.681 4.350 0.001 0.000 0.195 173 E C 1.031 177.831 176.600 0.333 0.000 1.029 173 E CA 0.480 57.009 56.400 0.215 0.000 0.865 173 E CB -0.164 29.633 29.700 0.162 0.000 0.833 173 E HN 0.728 nan 8.360 nan 0.000 0.510 174 A N 0.891 123.786 122.820 0.126 0.000 2.296 174 A HA 0.319 4.639 4.320 0.001 0.000 0.264 174 A C 0.348 177.816 177.584 -0.193 0.000 1.097 174 A CA -0.457 51.594 52.037 0.023 0.000 0.811 174 A CB 0.604 19.658 19.000 0.091 0.000 1.072 174 A HN -0.047 nan 8.150 nan 0.000 0.495 175 V N 2.712 122.328 119.914 -0.497 0.000 2.530 175 V HA 0.297 4.417 4.120 0.001 0.000 0.282 175 V C -1.767 174.129 176.094 -0.330 0.000 1.048 175 V CA -1.074 60.701 62.300 -0.874 0.000 0.997 175 V CB 0.794 32.032 31.823 -0.976 0.000 0.987 175 V HN 0.868 nan 8.190 nan 0.000 0.477 176 P HA 0.188 nan 4.420 nan 0.000 0.274 176 P C -1.396 175.893 177.300 -0.017 0.000 1.246 176 P CA -0.380 62.732 63.100 0.020 0.000 0.795 176 P CB 0.572 32.350 31.700 0.130 0.000 1.006 177 Y N 0.213 120.743 120.300 0.383 0.000 2.594 177 Y HA 0.580 5.130 4.550 0.001 0.000 0.342 177 Y C 1.224 177.346 175.900 0.371 0.000 1.010 177 Y CA 0.362 58.634 58.100 0.287 0.000 1.270 177 Y CB 0.489 39.059 38.460 0.184 0.000 1.125 177 Y HN 0.538 nan 8.280 nan 0.000 0.513 178 G N 2.216 111.268 108.800 0.420 0.000 2.691 178 G HA2 0.311 4.272 3.960 0.001 0.000 0.298 178 G HA3 0.311 4.272 3.960 0.001 0.000 0.298 178 G C -0.027 175.079 174.900 0.343 0.000 1.471 178 G CA -0.741 44.615 45.100 0.426 0.000 0.912 178 G HN 0.254 nan 8.290 nan 0.000 0.553 179 I N 1.193 121.922 120.570 0.266 0.000 2.099 179 I HA -0.062 4.108 4.170 0.001 0.000 0.239 179 I C 2.415 178.783 176.117 0.418 0.000 1.066 179 I CA 1.500 62.960 61.300 0.268 0.000 1.324 179 I CB -0.916 37.151 38.000 0.111 0.000 1.037 179 I HN 0.462 nan 8.210 nan 0.000 0.401 180 F N 1.535 121.547 119.950 0.104 0.000 2.234 180 F HA -0.083 4.444 4.527 0.001 0.000 0.296 180 F C 2.968 178.810 175.800 0.070 0.000 1.089 180 F CA 1.000 58.992 58.000 -0.014 0.000 1.343 180 F CB -1.553 37.303 39.000 -0.240 0.000 1.040 180 F HN 0.171 nan 8.300 nan 0.000 0.498 181 S N 0.155 116.054 115.700 0.330 0.000 2.383 181 S HA -0.265 4.206 4.470 0.001 0.000 0.229 181 S C 2.097 176.894 174.600 0.328 0.000 1.030 181 S CA 1.619 59.992 58.200 0.288 0.000 1.002 181 S CB -1.310 62.055 63.200 0.275 0.000 0.829 181 S HN 0.644 nan 8.310 nan 0.000 0.467 182 H N 1.857 121.061 119.070 0.223 0.000 2.521 182 H HA 0.170 4.726 4.556 0.001 0.000 0.286 182 H C 1.829 177.313 175.328 0.260 0.000 1.034 182 H CA 1.092 57.262 56.048 0.204 0.000 1.278 182 H CB -0.470 29.368 29.762 0.126 0.000 1.386 182 H HN 0.444 nan 8.280 nan 0.000 0.567 183 L N 0.500 121.659 121.223 -0.106 0.000 2.095 183 L HA -0.085 4.255 4.340 0.001 0.000 0.204 183 L C 2.201 179.092 176.870 0.036 0.000 1.080 183 L CA 0.961 55.716 54.840 -0.142 0.000 0.759 183 L CB -0.229 41.777 42.059 -0.088 0.000 0.914 183 L HN 0.125 nan 8.230 nan 0.000 0.439 184 D N -0.435 120.027 120.400 0.102 0.000 2.117 184 D HA -0.242 4.399 4.640 0.001 0.000 0.197 184 D C 1.754 178.152 176.300 0.164 0.000 0.987 184 D CA 1.197 55.260 54.000 0.104 0.000 0.829 184 D CB -0.233 40.637 40.800 0.118 0.000 0.961 184 D HN 0.405 nan 8.370 nan 0.000 0.460 185 W N 1.840 123.176 121.300 0.060 0.000 2.338 185 W HA -0.228 4.432 4.660 0.001 0.000 0.304 185 W C 2.229 178.811 176.519 0.106 0.000 1.212 185 W CA 2.184 59.586 57.345 0.095 0.000 1.264 185 W CB -0.350 29.178 29.460 0.114 0.000 1.142 185 W HN -0.152 nan 8.180 nan 0.000 0.512 186 T N 0.428 115.248 114.554 0.443 0.000 2.708 186 T HA -0.297 4.053 4.350 0.001 0.000 0.266 186 T C 1.424 176.152 174.700 0.045 0.000 1.037 186 T CA 1.808 64.064 62.100 0.261 0.000 1.146 186 T CB -0.710 68.275 68.868 0.195 0.000 0.865 186 T HN 0.255 nan 8.240 nan 0.000 0.435 187 N N 1.519 120.233 118.700 0.023 0.000 2.084 187 N HA -0.114 4.626 4.740 0.001 0.000 0.190 187 N C 1.710 177.190 175.510 -0.049 0.000 1.030 187 N CA 1.662 54.697 53.050 -0.025 0.000 0.849 187 N CB -0.576 37.896 38.487 -0.026 0.000 1.012 187 N HN 0.305 nan 8.380 nan 0.000 0.423 188 N N -0.794 117.865 118.700 -0.068 0.000 2.104 188 N HA -0.176 4.565 4.740 0.001 0.000 0.190 188 N C 1.568 176.982 175.510 -0.161 0.000 1.024 188 N CA 1.173 54.153 53.050 -0.118 0.000 0.853 188 N CB -0.521 37.885 38.487 -0.134 0.000 1.008 188 N HN 0.315 nan 8.380 nan 0.000 0.424 189 F N 0.504 120.205 119.950 -0.416 0.000 2.126 189 F HA -0.176 4.351 4.527 0.001 0.000 0.299 189 F C 2.722 178.478 175.800 -0.073 0.000 1.096 189 F CA 1.722 59.493 58.000 -0.383 0.000 1.255 189 F CB -0.887 37.658 39.000 -0.758 0.000 0.997 189 F HN 0.068 nan 8.300 nan 0.000 0.479 190 S N -0.047 115.717 115.700 0.107 0.000 2.348 190 S HA -0.153 4.317 4.470 0.001 0.000 0.221 190 S C 2.032 176.625 174.600 -0.013 0.000 1.033 190 S CA 1.299 59.522 58.200 0.038 0.000 1.010 190 S CB -0.600 62.543 63.200 -0.096 0.000 0.891 190 S HN 0.261 nan 8.310 nan 0.000 0.442 191 L N 1.722 122.910 121.223 -0.059 0.000 1.971 191 L HA -0.076 4.264 4.340 0.001 0.000 0.215 191 L C 2.550 179.355 176.870 -0.108 0.000 1.072 191 L CA 1.606 56.404 54.840 -0.070 0.000 0.758 191 L CB -1.382 40.630 42.059 -0.080 0.000 0.889 191 L HN 0.213 nan 8.230 nan 0.000 0.433 192 V N -1.310 118.489 119.914 -0.191 0.000 2.720 192 V HA -0.255 3.866 4.120 0.001 0.000 0.256 192 V C 1.379 177.167 176.094 -0.510 0.000 1.082 192 V CA 1.441 63.534 62.300 -0.344 0.000 1.101 192 V CB -0.895 30.661 31.823 -0.444 0.000 0.693 192 V HN 0.558 nan 8.190 nan 0.000 0.479 193 H N -0.544 118.386 119.070 -0.232 0.000 2.487 193 H HA 0.451 5.007 4.556 0.001 0.000 0.290 193 H C 1.461 176.825 175.328 0.059 0.000 1.081 193 H CA 0.380 56.344 56.048 -0.141 0.000 1.116 193 H CB 0.096 29.761 29.762 -0.163 0.000 1.560 193 H HN 0.367 nan 8.280 nan 0.000 0.548 194 G N 1.830 110.688 108.800 0.096 0.000 2.246 194 G HA2 -0.352 3.608 3.960 0.001 0.000 0.273 194 G HA3 -0.352 3.608 3.960 0.001 0.000 0.273 194 G C -0.421 174.679 174.900 0.334 0.000 1.055 194 G CA 0.207 45.421 45.100 0.191 0.000 0.851 194 G HN 0.654 nan 8.290 nan 0.000 0.500 195 N N -1.775 117.055 118.700 0.216 0.000 3.779 195 N HA -0.144 4.596 4.740 0.001 0.000 0.279 195 N C 0.971 176.557 175.510 0.127 0.000 2.052 195 N CA 0.775 53.910 53.050 0.141 0.000 2.429 195 N CB -0.967 37.674 38.487 0.256 0.000 0.554 195 N HN 0.454 nan 8.380 nan 0.000 0.551 196 L N 2.967 124.091 121.223 -0.166 0.000 2.456 196 L HA -0.057 4.283 4.340 0.001 0.000 0.224 196 L C 1.614 178.287 176.870 -0.327 0.000 1.148 196 L CA 0.615 55.243 54.840 -0.354 0.000 0.825 196 L CB -0.315 41.320 42.059 -0.706 0.000 0.937 196 L HN 0.443 nan 8.230 nan 0.000 0.450 197 F N -1.109 118.709 119.950 -0.220 0.000 2.494 197 F HA -0.182 4.346 4.527 0.001 0.000 0.298 197 F C 1.764 177.436 175.800 -0.213 0.000 1.106 197 F CA 0.743 58.630 58.000 -0.188 0.000 1.452 197 F CB -0.676 38.150 39.000 -0.289 0.000 1.085 197 F HN 0.095 nan 8.300 nan 0.000 0.569 198 Y N -1.445 119.004 120.300 0.249 0.000 2.462 198 Y HA 0.115 4.665 4.550 0.001 0.000 0.261 198 Y C 1.123 177.088 175.900 0.110 0.000 1.146 198 Y CA -0.538 57.728 58.100 0.277 0.000 1.283 198 Y CB -0.491 38.231 38.460 0.437 0.000 1.090 198 Y HN -0.167 nan 8.280 nan 0.000 0.526 199 N N 3.075 121.659 118.700 -0.193 0.000 2.405 199 N HA 0.021 4.762 4.740 0.001 0.000 0.260 199 N C -1.730 173.506 175.510 -0.457 0.000 1.152 199 N CA -1.663 50.778 53.050 -1.016 0.000 0.948 199 N CB 1.207 38.826 38.487 -1.447 0.000 1.111 199 N HN 0.046 nan 8.380 nan 0.000 0.485 200 P HA -0.160 nan 4.420 nan 0.000 0.216 200 P C 1.119 178.232 177.300 -0.312 0.000 1.150 200 P CA 1.309 64.243 63.100 -0.276 0.000 0.843 200 P CB -0.003 31.509 31.700 -0.314 0.000 0.787 201 F N -0.958 118.854 119.950 -0.230 0.000 2.407 201 F HA -0.088 4.439 4.527 0.001 0.000 0.299 201 F C 2.814 178.584 175.800 -0.050 0.000 1.097 201 F CA 0.972 58.914 58.000 -0.096 0.000 1.422 201 F CB -1.157 37.791 39.000 -0.086 0.000 1.067 201 F HN 0.112 nan 8.300 nan 0.000 0.539 202 H N -0.360 118.672 119.070 -0.064 0.000 2.395 202 H HA -0.033 4.523 4.556 0.001 0.000 0.299 202 H C 2.378 177.689 175.328 -0.028 0.000 1.070 202 H CA 1.305 57.323 56.048 -0.049 0.000 1.356 202 H CB -0.286 29.404 29.762 -0.119 0.000 1.401 202 H HN 0.319 nan 8.280 nan 0.000 0.524 203 G N 1.158 109.951 108.800 -0.012 0.000 2.418 203 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 203 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 203 G C 1.979 176.785 174.900 -0.156 0.000 1.158 203 G CA 0.582 45.634 45.100 -0.080 0.000 0.771 203 G HN 0.321 nan 8.290 nan 0.000 0.545 204 L N 0.441 121.602 121.223 -0.103 0.000 2.027 204 L HA -0.073 4.268 4.340 0.001 0.000 0.206 204 L C 3.097 179.948 176.870 -0.033 0.000 1.074 204 L CA 1.266 56.044 54.840 -0.103 0.000 0.745 204 L CB -0.532 41.585 42.059 0.098 0.000 0.898 204 L HN 0.330 nan 8.230 nan 0.000 0.433 205 S N 0.191 115.943 115.700 0.086 0.000 2.374 205 S HA -0.203 4.268 4.470 0.001 0.000 0.227 205 S C 1.954 176.517 174.600 -0.061 0.000 1.037 205 S CA 1.401 59.673 58.200 0.120 0.000 1.024 205 S CB -0.259 62.962 63.200 0.035 0.000 0.861 205 S HN 0.293 nan 8.310 nan 0.000 0.456 206 I N 1.200 121.597 120.570 -0.288 0.000 2.252 206 I HA -0.132 4.038 4.170 0.001 0.000 0.245 206 I C 2.748 178.548 176.117 -0.530 0.000 1.102 206 I CA 0.969 61.967 61.300 -0.503 0.000 1.385 206 I CB -0.552 37.087 38.000 -0.602 0.000 1.064 206 I HN 0.369 nan 8.210 nan 0.000 0.414 207 A N 0.983 123.561 122.820 -0.404 0.000 1.908 207 A HA -0.218 4.103 4.320 0.001 0.000 0.218 207 A C 1.991 179.404 177.584 -0.285 0.000 1.181 207 A CA 1.733 53.545 52.037 -0.375 0.000 0.627 207 A CB -0.905 17.771 19.000 -0.540 0.000 0.818 207 A HN 0.356 nan 8.150 nan 0.000 0.445 208 F N -1.015 118.939 119.950 0.007 0.000 2.367 208 F HA 0.021 4.548 4.527 0.000 0.000 0.298 208 F C 1.935 177.779 175.800 0.074 0.000 1.094 208 F CA 0.802 58.843 58.000 0.068 0.000 1.409 208 F CB -0.579 38.474 39.000 0.090 0.000 1.064 208 F HN 0.245 nan 8.300 nan 0.000 0.528 209 L N -0.873 120.448 121.223 0.163 0.000 2.027 209 L HA -0.192 4.149 4.340 0.001 0.000 0.206 209 L C 2.216 179.228 176.870 0.237 0.000 1.074 209 L CA 1.910 56.840 54.840 0.150 0.000 0.745 209 L CB -1.086 40.998 42.059 0.041 0.000 0.898 209 L HN 0.029 nan 8.230 nan 0.000 0.433 210 Y N 0.325 120.670 120.300 0.075 0.000 2.181 210 Y HA -0.036 4.514 4.550 0.001 0.000 0.288 210 Y C 2.596 178.540 175.900 0.073 0.000 1.146 210 Y CA 0.834 58.968 58.100 0.057 0.000 1.164 210 Y CB -1.607 36.863 38.460 0.017 0.000 0.982 210 Y HN 0.274 nan 8.280 nan 0.000 0.515 211 G N -1.440 107.507 108.800 0.246 0.000 2.448 211 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 211 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 211 G C 1.877 176.895 174.900 0.197 0.000 1.127 211 G CA 1.155 46.370 45.100 0.192 0.000 0.766 211 G HN 0.381 nan 8.290 nan 0.000 0.552 212 S N 0.556 116.391 115.700 0.225 0.000 2.414 212 S HA 0.158 4.628 4.470 0.001 0.000 0.227 212 S C 2.669 177.405 174.600 0.227 0.000 1.022 212 S CA 0.830 59.153 58.200 0.206 0.000 0.958 212 S CB -0.058 63.266 63.200 0.208 0.000 0.797 212 S HN 0.544 nan 8.310 nan 0.000 0.493 213 A N 1.217 124.167 122.820 0.217 0.000 1.970 213 A HA 0.114 4.434 4.320 0.001 0.000 0.216 213 A C 2.040 179.723 177.584 0.164 0.000 1.170 213 A CA 0.816 52.971 52.037 0.196 0.000 0.645 213 A CB -0.495 18.602 19.000 0.161 0.000 0.816 213 A HN 0.426 nan 8.150 nan 0.000 0.447 214 L N -0.739 120.568 121.223 0.140 0.000 2.005 214 L HA -0.053 4.287 4.340 0.001 0.000 0.207 214 L C 2.158 179.078 176.870 0.084 0.000 1.072 214 L CA 2.010 56.909 54.840 0.097 0.000 0.744 214 L CB -0.629 41.476 42.059 0.078 0.000 0.895 214 L HN 0.268 nan 8.230 nan 0.000 0.433 215 L N -1.432 119.838 121.223 0.079 0.000 2.093 215 L HA -0.135 4.205 4.340 0.001 0.000 0.208 215 L C 2.242 179.199 176.870 0.144 0.000 1.085 215 L CA 1.639 56.491 54.840 0.021 0.000 0.755 215 L CB -0.872 41.181 42.059 -0.010 0.000 0.904 215 L HN 0.309 nan 8.230 nan 0.000 0.435 216 F N -0.107 119.876 119.950 0.055 0.000 2.259 216 F HA 0.045 4.573 4.527 0.001 0.000 0.298 216 F C 2.343 178.186 175.800 0.070 0.000 1.088 216 F CA 0.551 58.603 58.000 0.087 0.000 1.358 216 F CB -0.900 38.155 39.000 0.091 0.000 1.040 216 F HN 0.178 nan 8.300 nan 0.000 0.505 217 A N -0.053 122.911 122.820 0.239 0.000 1.873 217 A HA -0.201 4.120 4.320 0.001 0.000 0.215 217 A C 2.333 180.000 177.584 0.138 0.000 1.186 217 A CA 1.695 53.803 52.037 0.118 0.000 0.616 217 A CB -0.670 18.386 19.000 0.092 0.000 0.823 217 A HN 0.349 nan 8.150 nan 0.000 0.442 218 M N -1.831 117.862 119.600 0.156 0.000 2.065 218 M HA -0.186 4.294 4.480 0.001 0.000 0.259 218 M C 2.331 178.752 176.300 0.201 0.000 1.071 218 M CA 2.210 57.617 55.300 0.178 0.000 1.109 218 M CB -0.543 32.013 32.600 -0.074 0.000 1.313 218 M HN 0.700 nan 8.290 nan 0.000 0.408 219 H N -0.177 118.934 119.070 0.069 0.000 2.326 219 H HA -0.036 4.521 4.556 0.001 0.000 0.301 219 H C 1.959 177.371 175.328 0.141 0.000 1.081 219 H CA 2.137 58.228 56.048 0.073 0.000 1.334 219 H CB -0.672 29.101 29.762 0.019 0.000 1.385 219 H HN 0.330 nan 8.280 nan 0.000 0.504 220 G N -0.088 108.800 108.800 0.147 0.000 2.440 220 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 220 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 220 G C 1.900 176.738 174.900 -0.103 0.000 1.154 220 G CA 1.078 46.154 45.100 -0.041 0.000 0.767 220 G HN 0.619 nan 8.290 nan 0.000 0.552 221 A N 0.039 122.832 122.820 -0.044 0.000 1.969 221 A HA 0.045 4.366 4.320 0.001 0.000 0.218 221 A C 2.521 180.041 177.584 -0.106 0.000 1.169 221 A CA 2.322 54.314 52.037 -0.075 0.000 0.635 221 A CB -0.721 18.257 19.000 -0.037 0.000 0.810 221 A HN 0.297 nan 8.150 nan 0.000 0.445 222 T N 0.425 114.947 114.554 -0.053 0.000 2.737 222 T HA -0.067 4.284 4.350 0.001 0.000 0.265 222 T C 1.794 176.443 174.700 -0.085 0.000 1.038 222 T CA 1.294 63.360 62.100 -0.057 0.000 1.144 222 T CB -0.237 68.728 68.868 0.162 0.000 0.866 222 T HN 0.278 nan 8.240 nan 0.000 0.434 223 I N 1.323 121.805 120.570 -0.146 0.000 2.179 223 I HA -0.073 4.098 4.170 0.001 0.000 0.242 223 I C 2.357 178.414 176.117 -0.101 0.000 1.088 223 I CA 1.222 62.444 61.300 -0.129 0.000 1.357 223 I CB -1.283 36.586 38.000 -0.219 0.000 1.051 223 I HN 0.270 nan 8.210 nan 0.000 0.409 224 L N 0.522 121.665 121.223 -0.133 0.000 2.083 224 L HA -0.184 4.156 4.340 0.001 0.000 0.209 224 L C 2.679 179.471 176.870 -0.129 0.000 1.083 224 L CA 1.326 56.081 54.840 -0.141 0.000 0.752 224 L CB -0.684 41.273 42.059 -0.170 0.000 0.899 224 L HN 0.195 nan 8.230 nan 0.000 0.433 225 A N -0.149 122.596 122.820 -0.124 0.000 2.067 225 A HA -0.089 4.232 4.320 0.001 0.000 0.219 225 A C 1.785 179.348 177.584 -0.035 0.000 1.158 225 A CA 1.589 53.559 52.037 -0.113 0.000 0.661 225 A CB -0.430 18.465 19.000 -0.176 0.000 0.801 225 A HN 0.364 nan 8.150 nan 0.000 0.452 226 V N -2.273 117.649 119.914 0.014 0.000 3.121 226 V HA 0.181 4.302 4.120 0.001 0.000 0.344 226 V C 1.249 177.393 176.094 0.085 0.000 1.390 226 V CA 0.715 63.125 62.300 0.183 0.000 1.177 226 V CB -0.641 31.335 31.823 0.254 0.000 1.163 226 V HN 0.474 nan 8.190 nan 0.000 0.484 227 S N 1.653 117.322 115.700 -0.052 0.000 2.522 227 S HA -0.122 4.348 4.470 0.001 0.000 0.227 227 S C 1.844 176.362 174.600 -0.138 0.000 0.986 227 S CA 0.817 58.978 58.200 -0.064 0.000 0.929 227 S CB -0.592 62.562 63.200 -0.076 0.000 0.769 227 S HN 0.865 nan 8.310 nan 0.000 0.529 228 R N 0.159 120.461 120.500 -0.329 0.000 2.316 228 R HA 0.124 4.464 4.340 0.001 0.000 0.202 228 R C 0.004 175.902 176.300 -0.671 0.000 1.029 228 R CA 0.695 56.478 56.100 -0.527 0.000 1.018 228 R CB -0.583 29.277 30.300 -0.734 0.000 0.888 228 R HN 0.520 nan 8.270 nan 0.000 0.471 229 F N 0.243 120.192 119.950 -0.001 0.000 2.764 229 F HA 0.453 4.981 4.527 0.001 0.000 0.310 229 F C 1.030 176.830 175.800 0.001 0.000 1.124 229 F CA -0.487 57.513 58.000 0.000 0.000 1.252 229 F CB 1.137 40.136 39.000 -0.003 0.000 1.010 229 F HN 0.173 nan 8.300 nan 0.000 0.518 230 G N 0.615 109.467 108.800 0.086 0.000 2.176 230 G HA2 -0.280 3.680 3.960 0.001 0.000 0.252 230 G HA3 -0.280 3.680 3.960 0.001 0.000 0.252 230 G C 1.415 176.359 174.900 0.073 0.000 1.024 230 G CA 0.249 45.387 45.100 0.064 0.000 0.755 230 G HN 0.710 nan 8.290 nan 0.000 0.507 231 G N 1.115 109.966 108.800 0.086 0.000 2.469 231 G HA2 -0.179 3.782 3.960 0.001 0.000 0.219 231 G HA3 -0.179 3.782 3.960 0.001 0.000 0.219 231 G C 1.522 176.453 174.900 0.050 0.000 1.150 231 G CA 1.561 46.709 45.100 0.079 0.000 0.763 231 G HN 0.899 nan 8.290 nan 0.000 0.561 232 E N 0.974 121.187 120.200 0.021 0.000 2.338 232 E HA -0.116 4.234 4.350 0.001 0.000 0.197 232 E C 1.094 177.709 176.600 0.025 0.000 1.007 232 E CA 0.277 56.687 56.400 0.016 0.000 0.849 232 E CB -0.261 29.431 29.700 -0.014 0.000 0.774 232 E HN 0.331 nan 8.360 nan 0.000 0.506 233 R N 1.606 122.121 120.500 0.025 0.000 4.164 233 R HA 0.119 4.459 4.340 0.001 0.000 0.195 233 R C 0.927 177.242 176.300 0.025 0.000 1.712 233 R CA -0.031 56.079 56.100 0.017 0.000 1.457 233 R CB 0.026 30.336 30.300 0.017 0.000 1.387 233 R HN 0.273 nan 8.270 nan 0.000 0.785 234 E N 0.690 120.908 120.200 0.030 0.000 2.085 234 E HA -0.232 4.119 4.350 0.001 0.000 0.194 234 E C 1.365 177.967 176.600 0.004 0.000 0.994 234 E CA 1.107 57.534 56.400 0.044 0.000 0.801 234 E CB 0.001 29.740 29.700 0.065 0.000 0.743 234 E HN 0.472 nan 8.360 nan 0.000 0.453 235 L N 0.751 121.955 121.223 -0.033 0.000 2.042 235 L HA -0.215 4.125 4.340 0.001 0.000 0.210 235 L C 2.580 179.440 176.870 -0.016 0.000 1.076 235 L CA 1.151 55.966 54.840 -0.042 0.000 0.749 235 L CB -0.206 41.819 42.059 -0.056 0.000 0.893 235 L HN 0.084 nan 8.230 nan 0.000 0.432 236 E N -0.469 119.728 120.200 -0.005 0.000 2.152 236 E HA -0.182 4.169 4.350 0.001 0.000 0.192 236 E C 2.210 178.819 176.600 0.014 0.000 0.983 236 E CA 0.870 57.272 56.400 0.003 0.000 0.818 236 E CB 0.058 29.762 29.700 0.006 0.000 0.758 236 E HN 0.285 nan 8.360 nan 0.000 0.467 237 Q N -0.262 119.552 119.800 0.024 0.000 2.224 237 Q HA -0.060 4.280 4.340 0.001 0.000 0.203 237 Q C 2.220 178.240 176.000 0.035 0.000 0.970 237 Q CA 0.872 56.697 55.803 0.036 0.000 0.865 237 Q CB 0.025 28.796 28.738 0.055 0.000 0.922 237 Q HN 0.442 nan 8.270 nan 0.000 0.445 238 I N -0.011 120.577 120.570 0.029 0.000 2.333 238 I HA -0.167 4.003 4.170 0.001 0.000 0.246 238 I C 2.171 178.298 176.117 0.018 0.000 1.106 238 I CA 0.861 62.178 61.300 0.028 0.000 1.411 238 I CB -0.218 37.791 38.000 0.016 0.000 1.082 238 I HN 0.014 nan 8.210 nan 0.000 0.420 239 A N -0.707 122.119 122.820 0.010 0.000 2.016 239 A HA -0.125 4.196 4.320 0.001 0.000 0.217 239 A C 0.726 178.316 177.584 0.010 0.000 1.162 239 A CA 1.265 53.306 52.037 0.007 0.000 0.662 239 A CB -0.063 18.937 19.000 -0.000 0.000 0.812 239 A HN 0.381 nan 8.150 nan 0.000 0.450 240 D N -1.091 119.316 120.400 0.013 0.000 2.472 240 D HA 0.153 4.794 4.640 0.001 0.000 0.248 240 D C -0.383 175.926 176.300 0.016 0.000 1.271 240 D CA -0.445 53.563 54.000 0.013 0.000 0.888 240 D CB 0.058 40.865 40.800 0.011 0.000 1.337 240 D HN 0.217 nan 8.370 nan 0.000 0.526 241 R N 1.422 121.931 120.500 0.016 0.000 2.494 241 R HA 0.344 4.684 4.340 0.001 0.000 0.291 241 R C 0.294 176.598 176.300 0.006 0.000 0.953 241 R CA 0.653 56.762 56.100 0.015 0.000 1.098 241 R CB 0.273 30.581 30.300 0.014 0.000 0.911 241 R HN 0.417 nan 8.270 nan 0.000 0.407 242 G N 0.622 109.425 108.800 0.005 0.000 2.735 242 G HA2 0.094 4.054 3.960 0.001 0.000 0.301 242 G HA3 0.094 4.054 3.960 0.001 0.000 0.301 242 G C 0.449 175.319 174.900 -0.051 0.000 1.279 242 G CA -0.311 44.784 45.100 -0.008 0.000 1.019 242 G HN 0.572 nan 8.290 nan 0.000 0.497 243 T N -0.521 113.975 114.554 -0.097 0.000 2.946 243 T HA -0.060 4.290 4.350 0.001 0.000 0.271 243 T C 2.437 176.948 174.700 -0.314 0.000 1.104 243 T CA 2.404 64.366 62.100 -0.230 0.000 1.114 243 T CB -0.474 68.193 68.868 -0.335 0.000 0.867 243 T HN 0.655 nan 8.240 nan 0.000 0.513 244 A N 0.952 123.684 122.820 -0.146 0.000 1.855 244 A HA 0.279 4.599 4.320 0.001 0.000 0.215 244 A C 2.761 180.331 177.584 -0.024 0.000 1.191 244 A CA 1.813 53.834 52.037 -0.025 0.000 0.613 244 A CB -1.380 17.703 19.000 0.137 0.000 0.829 244 A HN 0.637 nan 8.150 nan 0.000 0.442 245 A N -0.174 122.643 122.820 -0.005 0.000 1.933 245 A HA -0.167 4.154 4.320 0.001 0.000 0.218 245 A C 1.920 179.491 177.584 -0.021 0.000 1.175 245 A CA 1.652 53.698 52.037 0.015 0.000 0.628 245 A CB -0.529 18.489 19.000 0.031 0.000 0.814 245 A HN 0.657 nan 8.150 nan 0.000 0.444 246 E N -0.376 119.781 120.200 -0.071 0.000 2.047 246 E HA -0.170 4.181 4.350 0.001 0.000 0.191 246 E C 2.296 178.802 176.600 -0.158 0.000 0.987 246 E CA 1.068 57.406 56.400 -0.102 0.000 0.799 246 E CB -0.213 29.419 29.700 -0.114 0.000 0.752 246 E HN 0.557 nan 8.360 nan 0.000 0.449 247 R N 0.627 121.010 120.500 -0.195 0.000 2.115 247 R HA -0.047 4.293 4.340 0.001 0.000 0.230 247 R C 2.351 178.576 176.300 -0.125 0.000 1.111 247 R CA 0.995 56.965 56.100 -0.216 0.000 0.976 247 R CB -0.259 29.884 30.300 -0.262 0.000 0.870 247 R HN 0.094 nan 8.270 nan 0.000 0.445 248 A N 1.497 124.291 122.820 -0.043 0.000 1.898 248 A HA -0.044 4.276 4.320 0.001 0.000 0.216 248 A C 2.400 180.061 177.584 0.129 0.000 1.181 248 A CA 1.478 53.548 52.037 0.055 0.000 0.620 248 A CB -0.560 18.500 19.000 0.100 0.000 0.819 248 A HN 0.360 nan 8.150 nan 0.000 0.442 249 A N 0.022 122.873 122.820 0.051 0.000 1.858 249 A HA -0.076 4.245 4.320 0.001 0.000 0.216 249 A C 2.138 179.687 177.584 -0.059 0.000 1.190 249 A CA 1.556 53.620 52.037 0.046 0.000 0.617 249 A CB -0.764 18.236 19.000 0.000 0.000 0.827 249 A HN 0.465 nan 8.150 nan 0.000 0.443 250 L N -1.754 119.312 121.223 -0.263 0.000 2.191 250 L HA -0.172 4.169 4.340 0.001 0.000 0.212 250 L C 2.471 178.902 176.870 -0.732 0.000 1.103 250 L CA 1.487 55.925 54.840 -0.670 0.000 0.769 250 L CB -0.580 40.885 42.059 -0.991 0.000 0.908 250 L HN 0.565 nan 8.230 nan 0.000 0.438 251 F N -0.016 119.618 119.950 -0.527 0.000 2.102 251 F HA -0.239 4.288 4.527 0.001 0.000 0.298 251 F C 2.029 177.558 175.800 -0.451 0.000 1.105 251 F CA 1.588 59.292 58.000 -0.493 0.000 1.239 251 F CB -0.368 38.288 39.000 -0.573 0.000 0.991 251 F HN -0.047 nan 8.300 nan 0.000 0.474 252 W N 0.633 121.950 121.300 0.029 0.000 2.418 252 W HA -0.012 4.649 4.660 0.001 0.000 0.292 252 W C 2.786 179.204 176.519 -0.168 0.000 1.213 252 W CA 1.186 58.485 57.345 -0.077 0.000 1.283 252 W CB -0.488 28.927 29.460 -0.076 0.000 1.119 252 W HN -0.083 nan 8.180 nan 0.000 0.542 253 R N -0.205 120.320 120.500 0.042 0.000 2.081 253 R HA -0.193 4.147 4.340 0.001 0.000 0.235 253 R C 1.831 178.248 176.300 0.194 0.000 1.131 253 R CA 2.032 58.184 56.100 0.087 0.000 0.960 253 R CB -0.760 29.570 30.300 0.051 0.000 0.856 253 R HN 0.118 nan 8.270 nan 0.000 0.436 254 W N 0.430 121.669 121.300 -0.102 0.000 2.519 254 W HA 0.051 4.711 4.660 0.000 0.000 0.266 254 W C 1.964 178.359 176.519 -0.208 0.000 1.253 254 W CA 0.819 58.075 57.345 -0.148 0.000 1.274 254 W CB -0.788 28.557 29.460 -0.193 0.000 1.114 254 W HN 0.146 nan 8.180 nan 0.000 0.596 255 T N 0.382 114.880 114.554 -0.093 0.000 2.866 255 T HA -0.046 4.305 4.350 0.001 0.000 0.250 255 T C 1.630 176.352 174.700 0.036 0.000 1.033 255 T CA 1.531 63.528 62.100 -0.172 0.000 1.145 255 T CB -0.148 68.426 68.868 -0.490 0.000 0.866 255 T HN 0.154 nan 8.240 nan 0.000 0.434 256 M N -0.680 119.003 119.600 0.139 0.000 2.416 256 M HA 0.602 5.082 4.480 0.001 0.000 0.337 256 M C 1.267 177.765 176.300 0.330 0.000 1.074 256 M CA 0.087 55.524 55.300 0.229 0.000 0.968 256 M CB 0.862 33.627 32.600 0.275 0.000 1.472 256 M HN 0.277 nan 8.290 nan 0.000 0.539 257 G N 2.148 111.106 108.800 0.263 0.000 2.205 257 G HA2 -0.289 3.672 3.960 0.001 0.000 0.261 257 G HA3 -0.289 3.672 3.960 0.001 0.000 0.261 257 G C -0.196 174.947 174.900 0.406 0.000 0.980 257 G CA 0.615 45.892 45.100 0.295 0.000 0.632 257 G HN 0.831 nan 8.290 nan 0.000 0.533 258 F N 0.070 120.082 119.950 0.103 0.000 2.686 258 F HA 0.776 5.304 4.527 0.002 0.000 0.311 258 F C -0.799 175.060 175.800 0.098 0.000 1.128 258 F CA -1.634 56.421 58.000 0.091 0.000 0.946 258 F CB 0.662 39.704 39.000 0.071 0.000 1.336 258 F HN 0.361 nan 8.300 nan 0.000 0.457 259 N N 1.053 119.725 118.700 -0.046 0.000 2.972 259 N HA 0.793 5.533 4.740 0.001 0.000 0.262 259 N C -1.702 173.797 175.510 -0.017 0.000 1.478 259 N CA -0.703 52.268 53.050 -0.131 0.000 0.841 259 N CB 1.944 40.442 38.487 0.018 0.000 1.512 259 N HN 1.064 nan 8.380 nan 0.000 0.548 260 A N -0.163 122.642 122.820 -0.024 0.000 2.468 260 A HA 0.830 5.151 4.320 0.001 0.000 0.270 260 A C -0.108 177.532 177.584 0.094 0.000 1.217 260 A CA -0.267 51.821 52.037 0.085 0.000 0.908 260 A CB 0.634 19.655 19.000 0.034 0.000 1.423 260 A HN 0.850 nan 8.150 nan 0.000 0.459 261 T N -3.403 111.221 114.554 0.118 0.000 2.940 261 T HA 0.450 4.801 4.350 0.001 0.000 0.288 261 T C 0.831 175.599 174.700 0.113 0.000 1.045 261 T CA -0.205 61.956 62.100 0.102 0.000 1.018 261 T CB 1.019 69.947 68.868 0.100 0.000 1.151 261 T HN 0.444 nan 8.240 nan 0.000 0.529 262 M N 0.522 120.193 119.600 0.119 0.000 2.149 262 M HA -0.015 4.466 4.480 0.001 0.000 0.261 262 M C 2.088 178.532 176.300 0.239 0.000 1.064 262 M CA 1.804 57.205 55.300 0.168 0.000 1.102 262 M CB -0.855 31.825 32.600 0.135 0.000 1.369 262 M HN 0.916 nan 8.290 nan 0.000 0.408 263 E N -1.580 118.722 120.200 0.170 0.000 2.086 263 E HA -0.041 4.309 4.350 0.001 0.000 0.190 263 E C 2.002 178.714 176.600 0.187 0.000 0.975 263 E CA 0.933 57.438 56.400 0.175 0.000 0.813 263 E CB -0.504 29.246 29.700 0.083 0.000 0.768 263 E HN 0.549 nan 8.360 nan 0.000 0.457 264 G N 1.756 110.643 108.800 0.145 0.000 2.440 264 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 264 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 264 G C 1.543 176.559 174.900 0.194 0.000 1.154 264 G CA 0.926 46.115 45.100 0.148 0.000 0.767 264 G HN 0.364 nan 8.290 nan 0.000 0.552 265 I N 0.710 121.346 120.570 0.110 0.000 2.335 265 I HA -0.165 4.005 4.170 0.001 0.000 0.251 265 I C 2.258 178.217 176.117 -0.263 0.000 1.129 265 I CA 1.250 62.506 61.300 -0.073 0.000 1.402 265 I CB -0.350 37.441 38.000 -0.349 0.000 1.069 265 I HN 0.307 nan 8.210 nan 0.000 0.424 266 H N -0.625 118.410 119.070 -0.058 0.000 2.529 266 H HA 0.120 4.676 4.556 0.001 0.000 0.277 266 H C 2.192 177.511 175.328 -0.015 0.000 0.999 266 H CA 0.744 56.734 56.048 -0.098 0.000 1.256 266 H CB -0.025 29.678 29.762 -0.098 0.000 1.402 266 H HN 0.289 nan 8.280 nan 0.000 0.566 267 R N -0.755 119.820 120.500 0.126 0.000 2.100 267 R HA -0.076 4.264 4.340 0.001 0.000 0.220 267 R C 1.385 177.815 176.300 0.216 0.000 1.091 267 R CA 0.969 57.161 56.100 0.154 0.000 0.986 267 R CB -0.190 30.169 30.300 0.099 0.000 0.888 267 R HN 0.365 nan 8.270 nan 0.000 0.444 268 W N 1.119 122.462 121.300 0.072 0.000 2.358 268 W HA -0.148 4.512 4.660 0.000 0.000 0.303 268 W C 2.506 179.040 176.519 0.025 0.000 1.208 268 W CA 1.282 58.662 57.345 0.057 0.000 1.274 268 W CB -0.220 29.214 29.460 -0.044 0.000 1.138 268 W HN 0.180 nan 8.180 nan 0.000 0.515 269 A N 0.193 123.097 122.820 0.141 0.000 1.845 269 A HA -0.215 4.106 4.320 0.001 0.000 0.215 269 A C 1.909 179.488 177.584 -0.008 0.000 1.195 269 A CA 1.714 53.729 52.037 -0.036 0.000 0.616 269 A CB -1.133 17.714 19.000 -0.256 0.000 0.832 269 A HN 0.325 nan 8.150 nan 0.000 0.443 270 I N -1.968 118.588 120.570 -0.024 0.000 2.264 270 I HA -0.294 3.877 4.170 0.001 0.000 0.248 270 I C 2.302 178.332 176.117 -0.147 0.000 1.111 270 I CA 1.620 62.855 61.300 -0.108 0.000 1.382 270 I CB -0.110 37.789 38.000 -0.170 0.000 1.060 270 I HN 0.623 nan 8.210 nan 0.000 0.418 271 W N -0.204 121.096 121.300 -0.000 0.000 2.418 271 W HA -0.196 4.465 4.660 0.002 0.000 0.292 271 W C 2.458 178.935 176.519 -0.069 0.000 1.213 271 W CA 0.807 58.125 57.345 -0.046 0.000 1.283 271 W CB -0.336 29.081 29.460 -0.072 0.000 1.119 271 W HN 0.153 nan 8.180 nan 0.000 0.542 272 M N 1.048 120.799 119.600 0.253 0.000 2.080 272 M HA -0.155 4.325 4.480 0.001 0.000 0.260 272 M C 2.048 178.437 176.300 0.148 0.000 1.068 272 M CA 2.459 57.900 55.300 0.236 0.000 1.109 272 M CB -0.859 31.895 32.600 0.256 0.000 1.342 272 M HN -0.040 nan 8.290 nan 0.000 0.405 273 A N -1.209 121.666 122.820 0.093 0.000 1.854 273 A HA -0.044 4.277 4.320 0.001 0.000 0.214 273 A C 2.180 179.795 177.584 0.051 0.000 1.192 273 A CA 1.683 53.769 52.037 0.081 0.000 0.611 273 A CB -1.262 17.767 19.000 0.048 0.000 0.832 273 A HN 0.346 nan 8.150 nan 0.000 0.442 274 V N 0.468 120.379 119.914 -0.004 0.000 2.324 274 V HA -0.287 3.833 4.120 0.001 0.000 0.250 274 V C 2.539 178.627 176.094 -0.010 0.000 1.060 274 V CA 2.062 64.347 62.300 -0.025 0.000 1.042 274 V CB -0.722 30.998 31.823 -0.172 0.000 0.650 274 V HN 0.569 nan 8.190 nan 0.000 0.450 275 L N -0.790 120.374 121.223 -0.100 0.000 2.265 275 L HA -0.148 4.193 4.340 0.001 0.000 0.215 275 L C 2.371 179.168 176.870 -0.121 0.000 1.117 275 L CA 0.750 55.408 54.840 -0.304 0.000 0.782 275 L CB -0.595 40.796 42.059 -1.114 0.000 0.914 275 L HN 0.231 nan 8.230 nan 0.000 0.441 276 V N 0.071 120.013 119.914 0.046 0.000 2.255 276 V HA -0.322 3.798 4.120 0.001 0.000 0.247 276 V C 2.646 178.847 176.094 0.178 0.000 1.051 276 V CA 2.618 65.035 62.300 0.194 0.000 1.018 276 V CB -0.988 30.944 31.823 0.181 0.000 0.641 276 V HN 0.676 nan 8.190 nan 0.000 0.445 277 T N -2.445 112.208 114.554 0.166 0.000 3.043 277 T HA -0.002 4.348 4.350 0.001 0.000 0.263 277 T C 1.786 176.676 174.700 0.315 0.000 1.094 277 T CA 0.684 62.908 62.100 0.208 0.000 1.127 277 T CB -0.117 68.874 68.868 0.206 0.000 0.905 277 T HN 0.194 nan 8.240 nan 0.000 0.490 278 L N 2.790 124.163 121.223 0.249 0.000 1.988 278 L HA 0.009 4.349 4.340 0.001 0.000 0.207 278 L C 2.985 180.031 176.870 0.294 0.000 1.071 278 L CA 2.453 57.439 54.840 0.243 0.000 0.744 278 L CB -1.233 40.868 42.059 0.071 0.000 0.893 278 L HN 0.559 nan 8.230 nan 0.000 0.433 279 T N -3.827 110.877 114.554 0.251 0.000 2.777 279 T HA -0.080 4.270 4.350 0.001 0.000 0.266 279 T C 1.984 176.845 174.700 0.270 0.000 1.040 279 T CA 0.897 63.200 62.100 0.338 0.000 1.141 279 T CB -1.411 67.749 68.868 0.487 0.000 0.868 279 T HN 0.350 nan 8.240 nan 0.000 0.444 280 G N 1.574 110.512 108.800 0.231 0.000 2.491 280 G HA2 -0.025 3.936 3.960 0.001 0.000 0.218 280 G HA3 -0.025 3.936 3.960 0.001 0.000 0.218 280 G C 1.770 176.716 174.900 0.077 0.000 1.180 280 G CA 0.834 46.023 45.100 0.149 0.000 0.774 280 G HN 0.681 nan 8.290 nan 0.000 0.562 281 G N 0.882 109.736 108.800 0.089 0.000 2.440 281 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 281 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 281 G C 1.800 176.645 174.900 -0.091 0.000 1.154 281 G CA 0.893 45.869 45.100 -0.207 0.000 0.767 281 G HN 0.460 nan 8.290 nan 0.000 0.552 282 I N 1.171 121.824 120.570 0.140 0.000 2.179 282 I HA -0.097 4.074 4.170 0.001 0.000 0.242 282 I C 3.104 179.085 176.117 -0.228 0.000 1.088 282 I CA 1.058 62.297 61.300 -0.103 0.000 1.357 282 I CB -0.502 37.159 38.000 -0.564 0.000 1.051 282 I HN 0.252 nan 8.210 nan 0.000 0.409 283 G N 1.179 109.879 108.800 -0.166 0.000 2.442 283 G HA2 -0.198 3.763 3.960 0.001 0.000 0.219 283 G HA3 -0.198 3.763 3.960 0.001 0.000 0.219 283 G C 1.561 176.496 174.900 0.057 0.000 1.141 283 G CA 0.513 45.608 45.100 -0.008 0.000 0.763 283 G HN 0.213 nan 8.290 nan 0.000 0.554 284 I N 0.178 120.753 120.570 0.009 0.000 2.406 284 I HA 0.040 4.210 4.170 0.001 0.000 0.249 284 I C 2.514 178.672 176.117 0.068 0.000 1.122 284 I CA 0.437 61.750 61.300 0.022 0.000 1.431 284 I CB -0.856 37.065 38.000 -0.131 0.000 1.087 284 I HN 0.138 nan 8.210 nan 0.000 0.424 285 L N 0.883 122.096 121.223 -0.017 0.000 2.083 285 L HA -0.102 4.239 4.340 0.001 0.000 0.209 285 L C 2.220 179.135 176.870 0.075 0.000 1.083 285 L CA 1.740 56.576 54.840 -0.007 0.000 0.752 285 L CB -0.489 41.541 42.059 -0.047 0.000 0.899 285 L HN 0.113 nan 8.230 nan 0.000 0.433 286 L N -1.229 120.068 121.223 0.123 0.000 2.395 286 L HA 0.009 4.350 4.340 0.001 0.000 0.218 286 L C 0.876 177.864 176.870 0.196 0.000 1.130 286 L CA -0.061 54.883 54.840 0.173 0.000 0.826 286 L CB -0.406 41.818 42.059 0.274 0.000 0.941 286 L HN 0.053 nan 8.230 nan 0.000 0.451 287 S N 0.276 116.141 115.700 0.274 0.000 2.465 287 S HA 0.359 4.830 4.470 0.001 0.000 0.280 287 S C 1.138 175.780 174.600 0.069 0.000 1.232 287 S CA 0.439 58.745 58.200 0.177 0.000 1.066 287 S CB 0.933 64.210 63.200 0.129 0.000 0.929 287 S HN 0.560 nan 8.310 nan 0.000 0.494 288 G N 3.031 111.922 108.800 0.151 0.000 2.253 288 G HA2 -0.362 3.599 3.960 0.001 0.000 0.251 288 G HA3 -0.362 3.599 3.960 0.001 0.000 0.251 288 G C 1.017 175.943 174.900 0.044 0.000 0.998 288 G CA 0.982 46.179 45.100 0.163 0.000 0.621 288 G HN 0.840 nan 8.290 nan 0.000 0.524 289 T N -2.942 111.633 114.554 0.036 0.000 3.021 289 T HA 0.434 4.785 4.350 0.001 0.000 0.245 289 T C 2.034 176.731 174.700 -0.005 0.000 1.028 289 T CA 1.823 63.933 62.100 0.017 0.000 1.139 289 T CB 0.305 69.192 68.868 0.033 0.000 0.884 289 T HN 0.598 nan 8.240 nan 0.000 0.457 290 V N 0.322 120.224 119.914 -0.021 0.000 3.359 290 V HA 0.401 4.522 4.120 0.001 0.000 0.245 290 V C 0.168 176.192 176.094 -0.115 0.000 1.247 290 V CA -0.025 62.253 62.300 -0.036 0.000 1.145 290 V CB 1.255 33.078 31.823 -0.000 0.000 0.906 290 V HN 0.337 nan 8.190 nan 0.000 0.464 291 V N 0.906 120.676 119.914 -0.240 0.000 2.443 291 V HA 0.421 4.541 4.120 0.001 0.000 0.293 291 V C 0.145 176.013 176.094 -0.378 0.000 1.021 291 V CA -0.438 61.584 62.300 -0.463 0.000 0.848 291 V CB 1.723 32.819 31.823 -1.212 0.000 0.998 291 V HN 0.250 nan 8.190 nan 0.000 0.424 292 D N 2.238 122.481 120.400 -0.262 0.000 2.271 292 D HA 0.037 4.678 4.640 0.001 0.000 0.206 292 D C 0.582 176.747 176.300 -0.225 0.000 0.967 292 D CA 0.936 54.811 54.000 -0.209 0.000 0.867 292 D CB 0.489 41.190 40.800 -0.165 0.000 0.960 292 D HN 0.499 nan 8.370 nan 0.000 0.509 293 N N -0.457 118.108 118.700 -0.224 0.000 2.533 293 N HA 0.009 4.749 4.740 0.001 0.000 0.289 293 N C -0.138 175.343 175.510 -0.048 0.000 1.103 293 N CA -0.408 52.592 53.050 -0.083 0.000 0.877 293 N CB 0.672 39.160 38.487 0.001 0.000 1.419 293 N HN -0.116 nan 8.380 nan 0.000 0.517 294 W N 2.034 123.459 121.300 0.208 0.000 2.402 294 W HA -0.110 4.550 4.660 0.000 0.000 0.286 294 W C 1.802 178.497 176.519 0.293 0.000 1.221 294 W CA 0.460 57.971 57.345 0.277 0.000 1.257 294 W CB -0.225 29.395 29.460 0.266 0.000 1.120 294 W HN 0.677 nan 8.180 nan 0.000 0.551 295 Y N 0.682 121.123 120.300 0.234 0.000 2.114 295 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 295 Y C 2.231 178.076 175.900 -0.092 0.000 1.143 295 Y CA 2.029 59.990 58.100 -0.232 0.000 1.135 295 Y CB -0.961 37.363 38.460 -0.226 0.000 0.980 295 Y HN -0.217 nan 8.280 nan 0.000 0.499 296 V N -0.351 119.506 119.914 -0.095 0.000 2.287 296 V HA -0.329 3.791 4.120 0.001 0.000 0.248 296 V C 2.143 178.164 176.094 -0.121 0.000 1.053 296 V CA 2.146 64.338 62.300 -0.179 0.000 1.027 296 V CB -1.176 30.631 31.823 -0.028 0.000 0.646 296 V HN 0.737 nan 8.190 nan 0.000 0.447 297 W N 1.294 122.507 121.300 -0.145 0.000 2.338 297 W HA -0.128 4.532 4.660 0.001 0.000 0.304 297 W C 2.306 178.815 176.519 -0.017 0.000 1.212 297 W CA 1.913 59.210 57.345 -0.081 0.000 1.264 297 W CB -0.677 28.724 29.460 -0.098 0.000 1.142 297 W HN 0.250 nan 8.180 nan 0.000 0.512 298 G N -0.222 108.690 108.800 0.188 0.000 2.442 298 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 298 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 298 G C 1.402 176.160 174.900 -0.237 0.000 1.141 298 G CA 1.005 46.118 45.100 0.022 0.000 0.763 298 G HN 0.264 nan 8.290 nan 0.000 0.554 299 Q N 0.466 120.051 119.800 -0.358 0.000 2.291 299 Q HA -0.049 4.292 4.340 0.001 0.000 0.206 299 Q C 0.843 176.685 176.000 -0.262 0.000 0.976 299 Q CA 0.775 56.378 55.803 -0.333 0.000 0.875 299 Q CB -0.259 28.233 28.738 -0.409 0.000 0.927 299 Q HN 0.633 nan 8.270 nan 0.000 0.450 300 N N 0.718 119.225 118.700 -0.323 0.000 2.671 300 N HA 0.060 4.801 4.740 0.001 0.000 0.303 300 N C -0.420 174.862 175.510 -0.381 0.000 1.351 300 N CA -0.108 52.756 53.050 -0.310 0.000 0.991 300 N CB 0.439 38.753 38.487 -0.288 0.000 1.307 300 N HN 0.123 nan 8.380 nan 0.000 0.512 301 H N 0.000 118.797 119.070 -0.455 0.000 2.539 301 H HA 0.000 4.557 4.556 0.001 0.000 0.296 301 H CA 0.000 55.783 56.048 -0.441 0.000 1.023 301 H CB 0.000 29.225 29.762 -0.895 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496