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 1ooy_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERXXXXXXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.754 174.700 0.089 0.000 1.109 1 T CA 0.000 62.139 62.100 0.064 0.000 1.349 1 T CB 0.000 68.841 68.868 -0.046 0.000 0.612 2 K N 2.649 123.080 120.400 0.052 0.000 2.211 2 K HA 0.644 4.965 4.320 0.001 0.000 0.275 2 K C -1.072 175.515 176.600 -0.022 0.000 1.024 2 K CA -0.601 55.730 56.287 0.072 0.000 0.887 2 K CB 0.491 33.031 32.500 0.066 0.000 1.084 2 K HN 0.358 nan 8.250 nan 0.000 0.463 3 F N 3.529 123.458 119.950 -0.036 0.000 2.385 3 F HA 0.332 4.859 4.527 0.001 0.000 0.336 3 F C -0.314 175.402 175.800 -0.140 0.000 1.100 3 F CA -0.140 57.877 58.000 0.029 0.000 1.116 3 F CB 0.681 39.689 39.000 0.014 0.000 1.166 3 F HN 0.411 nan 8.300 nan 0.000 0.511 4 Y N -0.550 119.839 120.300 0.149 0.000 2.524 4 Y HA 0.345 4.895 4.550 0.001 0.000 0.344 4 Y C 1.009 176.976 175.900 0.112 0.000 1.012 4 Y CA -0.936 57.230 58.100 0.110 0.000 1.068 4 Y CB 2.008 40.509 38.460 0.068 0.000 1.249 4 Y HN 0.594 nan 8.280 nan 0.000 0.468 5 T N -3.671 111.021 114.554 0.230 0.000 3.001 5 T HA 0.126 4.477 4.350 0.001 0.000 0.251 5 T C -0.265 174.520 174.700 0.142 0.000 1.040 5 T CA 0.130 62.326 62.100 0.160 0.000 0.985 5 T CB 0.160 69.090 68.868 0.103 0.000 1.011 5 T HN 0.443 nan 8.240 nan 0.000 0.509 6 D N 0.538 121.041 120.400 0.172 0.000 2.492 6 D HA 0.671 5.311 4.640 0.001 0.000 0.248 6 D C 1.085 177.441 176.300 0.093 0.000 1.101 6 D CA -0.468 53.599 54.000 0.112 0.000 0.840 6 D CB 1.745 42.604 40.800 0.099 0.000 1.209 6 D HN 0.031 nan 8.370 nan 0.000 0.524 7 A N 3.103 125.945 122.820 0.036 0.000 1.940 7 A HA -0.112 4.209 4.320 0.001 0.000 0.219 7 A C 2.107 179.660 177.584 -0.051 0.000 1.176 7 A CA 1.557 53.581 52.037 -0.020 0.000 0.631 7 A CB -0.557 18.427 19.000 -0.027 0.000 0.814 7 A HN 0.507 nan 8.150 nan 0.000 0.446 8 V N 0.316 120.217 119.914 -0.021 0.000 2.332 8 V HA -0.232 3.889 4.120 0.001 0.000 0.248 8 V C 2.528 178.608 176.094 -0.025 0.000 1.055 8 V CA 2.139 64.422 62.300 -0.029 0.000 1.038 8 V CB -0.701 31.116 31.823 -0.011 0.000 0.651 8 V HN 0.522 nan 8.190 nan 0.000 0.450 9 E N 0.294 120.513 120.200 0.031 0.000 2.160 9 E HA -0.182 4.168 4.350 0.001 0.000 0.195 9 E C 2.259 178.834 176.600 -0.042 0.000 0.991 9 E CA 1.469 57.926 56.400 0.094 0.000 0.810 9 E CB -0.418 29.445 29.700 0.272 0.000 0.742 9 E HN 0.608 nan 8.360 nan 0.000 0.466 10 A N 0.683 123.307 122.820 -0.328 0.000 2.119 10 A HA -0.046 4.274 4.320 0.001 0.000 0.216 10 A C 2.068 179.482 177.584 -0.283 0.000 1.152 10 A CA 1.258 52.835 52.037 -0.766 0.000 0.708 10 A CB 0.040 18.535 19.000 -0.840 0.000 0.805 10 A HN 0.169 nan 8.150 nan 0.000 0.460 11 V N -2.948 116.866 119.914 -0.166 0.000 3.346 11 V HA 0.165 4.285 4.120 0.001 0.000 0.309 11 V C 1.355 177.342 176.094 -0.179 0.000 1.457 11 V CA 0.541 62.743 62.300 -0.163 0.000 1.069 11 V CB -0.517 31.203 31.823 -0.171 0.000 0.944 11 V HN 0.576 nan 8.190 nan 0.000 0.449 12 K N 2.056 122.401 120.400 -0.092 0.000 2.283 12 K HA -0.117 4.204 4.320 0.001 0.000 0.202 12 K C 1.054 177.611 176.600 -0.071 0.000 1.048 12 K CA 1.782 58.028 56.287 -0.068 0.000 0.948 12 K CB -0.359 32.133 32.500 -0.013 0.000 0.742 12 K HN 0.612 nan 8.250 nan 0.000 0.458 13 D N 1.164 121.533 120.400 -0.052 0.000 2.342 13 D HA 0.062 4.703 4.640 0.001 0.000 0.221 13 D C 0.329 176.563 176.300 -0.110 0.000 1.101 13 D CA -0.357 53.639 54.000 -0.006 0.000 0.837 13 D CB -0.257 40.617 40.800 0.124 0.000 0.938 13 D HN 0.239 nan 8.370 nan 0.000 0.508 14 I N 1.792 122.095 120.570 -0.445 0.000 2.598 14 I HA 0.091 4.261 4.170 0.001 0.000 0.284 14 I C -1.962 174.008 176.117 -0.245 0.000 1.140 14 I CA -1.554 59.316 61.300 -0.717 0.000 1.420 14 I CB 0.471 37.949 38.000 -0.869 0.000 1.387 14 I HN -0.252 nan 8.210 nan 0.000 0.553 15 P HA 0.109 nan 4.420 nan 0.000 0.275 15 P C -0.773 176.503 177.300 -0.040 0.000 1.228 15 P CA -0.451 62.635 63.100 -0.024 0.000 0.786 15 P CB 0.381 32.105 31.700 0.040 0.000 0.927 16 N N 1.150 119.832 118.700 -0.029 0.000 2.407 16 N HA 0.190 4.931 4.740 0.001 0.000 0.250 16 N C 1.583 177.087 175.510 -0.010 0.000 1.236 16 N CA 1.614 54.649 53.050 -0.026 0.000 0.879 16 N CB -0.262 38.214 38.487 -0.018 0.000 1.088 16 N HN 0.760 nan 8.380 nan 0.000 0.450 17 G N -0.592 108.202 108.800 -0.010 0.000 2.184 17 G HA2 -0.245 3.715 3.960 0.001 0.000 0.264 17 G HA3 -0.245 3.715 3.960 0.001 0.000 0.264 17 G C 0.341 175.249 174.900 0.014 0.000 0.975 17 G CA 0.432 45.534 45.100 0.002 0.000 0.642 17 G HN 0.924 nan 8.290 nan 0.000 0.536 18 A N -0.247 122.581 122.820 0.013 0.000 2.406 18 A HA 0.626 4.947 4.320 0.001 0.000 0.243 18 A C 0.734 178.347 177.584 0.048 0.000 1.082 18 A CA 1.244 53.309 52.037 0.047 0.000 0.786 18 A CB 0.362 19.390 19.000 0.047 0.000 1.029 18 A HN 0.756 nan 8.150 nan 0.000 0.495 19 T N 1.504 116.104 114.554 0.077 0.000 2.744 19 T HA 0.492 4.843 4.350 0.001 0.000 0.291 19 T C -0.508 174.251 174.700 0.098 0.000 0.957 19 T CA -0.128 62.011 62.100 0.065 0.000 1.002 19 T CB 0.541 69.444 68.868 0.058 0.000 0.919 19 T HN 0.430 nan 8.240 nan 0.000 0.468 20 V N 5.741 125.698 119.914 0.072 0.000 2.444 20 V HA 0.415 4.536 4.120 0.001 0.000 0.294 20 V C -0.080 176.049 176.094 0.059 0.000 1.022 20 V CA -0.969 61.387 62.300 0.092 0.000 0.850 20 V CB 1.546 33.398 31.823 0.049 0.000 0.992 20 V HN 0.745 nan 8.190 nan 0.000 0.426 21 L N 5.190 126.457 121.223 0.074 0.000 2.305 21 L HA 0.592 4.933 4.340 0.001 0.000 0.281 21 L C -0.526 176.370 176.870 0.043 0.000 1.085 21 L CA -0.520 54.348 54.840 0.045 0.000 0.813 21 L CB 1.272 43.364 42.059 0.055 0.000 1.157 21 L HN 0.352 nan 8.230 nan 0.000 0.436 22 V N 2.294 122.215 119.914 0.012 0.000 2.407 22 V HA 0.452 4.573 4.120 0.001 0.000 0.291 22 V C 0.739 176.842 176.094 0.015 0.000 1.018 22 V CA -0.624 61.682 62.300 0.011 0.000 0.842 22 V CB 1.392 33.205 31.823 -0.017 0.000 0.996 22 V HN 0.909 nan 8.190 nan 0.000 0.426 23 G N 2.504 111.341 108.800 0.062 0.000 2.667 23 G HA2 0.606 4.567 3.960 0.001 0.000 0.250 23 G HA3 0.606 4.567 3.960 0.001 0.000 0.250 23 G C 0.274 175.231 174.900 0.095 0.000 1.212 23 G CA 0.372 45.535 45.100 0.105 0.000 0.874 23 G HN 1.677 nan 8.290 nan 0.000 0.561 24 G N -1.791 107.105 108.800 0.160 0.000 2.465 24 G HA2 0.389 4.350 3.960 0.001 0.000 0.681 24 G HA3 0.389 4.350 3.960 0.001 0.000 0.681 24 G C -1.218 173.824 174.900 0.236 0.000 1.340 24 G CA -0.425 44.776 45.100 0.167 0.000 0.884 24 G HN 1.355 nan 8.290 nan 0.000 0.650 25 F N 2.546 122.563 119.950 0.112 0.000 2.499 25 F HA 0.628 5.156 4.527 0.001 0.000 0.333 25 F C 1.020 176.872 175.800 0.086 0.000 1.138 25 F CA 1.381 59.456 58.000 0.125 0.000 0.945 25 F CB 1.343 40.438 39.000 0.158 0.000 1.181 25 F HN 2.248 nan 8.300 nan 0.000 0.435 26 G N 5.094 113.677 108.800 -0.362 0.000 2.611 26 G HA2 -0.316 3.644 3.960 0.001 0.000 0.301 26 G HA3 -0.316 3.644 3.960 0.001 0.000 0.301 26 G C 0.289 175.200 174.900 0.018 0.000 1.233 26 G CA 0.324 45.331 45.100 -0.155 0.000 0.993 26 G HN 0.820 nan 8.290 nan 0.000 0.553 27 L N 0.319 121.598 121.223 0.094 0.000 2.741 27 L HA 0.323 4.664 4.340 0.001 0.000 0.237 27 L C 1.041 178.006 176.870 0.159 0.000 1.178 27 L CA -0.302 54.630 54.840 0.153 0.000 0.973 27 L CB 0.456 42.626 42.059 0.186 0.000 1.255 27 L HN 0.521 nan 8.230 nan 0.000 0.498 28 C N 1.300 120.696 119.300 0.161 0.000 2.265 28 C HA 0.596 5.057 4.460 0.001 0.000 0.332 28 C C 1.531 176.605 174.990 0.140 0.000 1.248 28 C CA 0.272 59.376 59.018 0.144 0.000 1.727 28 C CB -0.762 27.077 27.740 0.166 0.000 2.348 28 C HN 0.852 nan 8.230 nan 0.000 0.519 29 G N 5.807 114.673 108.800 0.110 0.000 2.182 29 G HA2 -0.200 3.761 3.960 0.001 0.000 0.248 29 G HA3 -0.200 3.761 3.960 0.001 0.000 0.248 29 G C -0.141 174.843 174.900 0.140 0.000 1.042 29 G CA 0.442 45.615 45.100 0.123 0.000 0.775 29 G HN 1.351 nan 8.290 nan 0.000 0.501 30 I N -1.849 118.802 120.570 0.135 0.000 2.440 30 I HA 0.647 4.818 4.170 0.001 0.000 0.294 30 I C -1.917 174.267 176.117 0.112 0.000 0.995 30 I CA -3.114 58.245 61.300 0.098 0.000 1.306 30 I CB 1.671 39.702 38.000 0.051 0.000 1.407 30 I HN -0.081 nan 8.210 nan 0.000 0.501 31 P HA 0.098 nan 4.420 nan 0.000 0.231 31 P C 0.212 177.519 177.300 0.012 0.000 1.811 31 P CA -0.164 62.990 63.100 0.090 0.000 1.051 31 P CB 0.128 31.871 31.700 0.072 0.000 1.951 32 E N 1.716 121.926 120.200 0.018 0.000 2.153 32 E HA -0.193 4.157 4.350 0.001 0.000 0.194 32 E C 0.986 177.503 176.600 -0.138 0.000 0.988 32 E CA 0.832 57.148 56.400 -0.140 0.000 0.811 32 E CB -0.471 29.161 29.700 -0.115 0.000 0.746 32 E HN 0.268 nan 8.360 nan 0.000 0.466 33 N N 0.933 119.570 118.700 -0.105 0.000 2.250 33 N HA -0.024 4.717 4.740 0.001 0.000 0.181 33 N C 2.106 177.570 175.510 -0.076 0.000 1.017 33 N CA 0.855 53.832 53.050 -0.122 0.000 0.866 33 N CB -0.010 38.383 38.487 -0.156 0.000 0.985 33 N HN 0.256 nan 8.380 nan 0.000 0.429 34 L N 0.888 122.085 121.223 -0.044 0.000 2.093 34 L HA -0.043 4.297 4.340 0.001 0.000 0.208 34 L C 2.239 179.069 176.870 -0.067 0.000 1.085 34 L CA 0.747 55.561 54.840 -0.044 0.000 0.755 34 L CB -0.316 41.736 42.059 -0.013 0.000 0.904 34 L HN 0.063 nan 8.230 nan 0.000 0.435 35 I N -0.025 120.496 120.570 -0.083 0.000 2.252 35 I HA -0.188 3.982 4.170 0.001 0.000 0.245 35 I C 2.608 178.663 176.117 -0.103 0.000 1.102 35 I CA 1.392 62.631 61.300 -0.103 0.000 1.385 35 I CB -0.683 37.230 38.000 -0.146 0.000 1.064 35 I HN 0.250 nan 8.210 nan 0.000 0.414 36 G N 0.367 109.101 108.800 -0.109 0.000 2.422 36 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 36 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 36 G C 1.835 176.696 174.900 -0.066 0.000 1.146 36 G CA 0.794 45.843 45.100 -0.085 0.000 0.769 36 G HN 0.491 nan 8.290 nan 0.000 0.547 37 A N 0.253 123.033 122.820 -0.068 0.000 1.930 37 A HA 0.129 4.450 4.320 0.001 0.000 0.217 37 A C 2.291 179.834 177.584 -0.069 0.000 1.175 37 A CA 1.206 53.206 52.037 -0.062 0.000 0.627 37 A CB -0.308 18.654 19.000 -0.064 0.000 0.815 37 A HN 0.294 nan 8.150 nan 0.000 0.443 38 L N -0.330 120.845 121.223 -0.079 0.000 2.201 38 L HA -0.065 4.275 4.340 0.001 0.000 0.212 38 L C 2.337 179.167 176.870 -0.066 0.000 1.105 38 L CA 1.084 55.873 54.840 -0.084 0.000 0.775 38 L CB -0.570 41.434 42.059 -0.091 0.000 0.913 38 L HN 0.361 nan 8.230 nan 0.000 0.440 39 L N -0.977 120.211 121.223 -0.058 0.000 2.131 39 L HA -0.247 4.094 4.340 0.001 0.000 0.210 39 L C 2.405 179.253 176.870 -0.037 0.000 1.092 39 L CA 1.292 56.105 54.840 -0.044 0.000 0.759 39 L CB -0.484 41.551 42.059 -0.039 0.000 0.903 39 L HN 0.277 nan 8.230 nan 0.000 0.435 40 K N -0.581 119.795 120.400 -0.039 0.000 2.167 40 K HA -0.083 4.237 4.320 0.001 0.000 0.203 40 K C 2.109 178.689 176.600 -0.034 0.000 1.052 40 K CA 1.697 57.965 56.287 -0.031 0.000 0.956 40 K CB -0.157 32.326 32.500 -0.028 0.000 0.735 40 K HN 0.433 nan 8.250 nan 0.000 0.451 41 T N -2.385 112.140 114.554 -0.047 0.000 2.985 41 T HA 0.048 4.399 4.350 0.001 0.000 0.266 41 T C 1.589 176.261 174.700 -0.047 0.000 1.076 41 T CA 0.822 62.891 62.100 -0.051 0.000 1.135 41 T CB -0.097 68.726 68.868 -0.076 0.000 0.890 41 T HN 0.345 nan 8.240 nan 0.000 0.480 42 G N 0.851 109.623 108.800 -0.047 0.000 2.155 42 G HA2 -0.249 3.711 3.960 0.001 0.000 0.257 42 G HA3 -0.249 3.711 3.960 0.001 0.000 0.257 42 G C 0.264 175.136 174.900 -0.046 0.000 0.983 42 G CA 0.192 45.268 45.100 -0.040 0.000 0.676 42 G HN 0.954 nan 8.290 nan 0.000 0.528 43 V N 0.433 120.309 119.914 -0.063 0.000 2.814 43 V HA 0.431 4.551 4.120 0.001 0.000 0.307 43 V C 0.588 176.649 176.094 -0.054 0.000 1.089 43 V CA 0.402 62.660 62.300 -0.069 0.000 1.212 43 V CB 0.859 32.617 31.823 -0.108 0.000 0.912 43 V HN 0.343 nan 8.190 nan 0.000 0.497 44 K N 3.836 124.210 120.400 -0.043 0.000 2.346 44 K HA 0.463 4.784 4.320 0.001 0.000 0.238 44 K C 0.196 176.780 176.600 -0.026 0.000 1.039 44 K CA -0.736 55.532 56.287 -0.031 0.000 0.861 44 K CB 1.132 33.618 32.500 -0.023 0.000 1.278 44 K HN 0.735 nan 8.250 nan 0.000 0.460 45 E N 0.862 121.051 120.200 -0.018 0.000 2.440 45 E HA -0.230 4.121 4.350 0.001 0.000 0.246 45 E C -0.460 176.135 176.600 -0.010 0.000 1.165 45 E CA 0.283 56.676 56.400 -0.012 0.000 0.726 45 E CB -1.616 28.079 29.700 -0.009 0.000 1.271 45 E HN 0.328 nan 8.360 nan 0.000 0.397 46 L N 0.424 121.639 121.223 -0.014 0.000 2.439 46 L HA 0.131 4.472 4.340 0.001 0.000 0.269 46 L C 0.957 177.827 176.870 -0.001 0.000 1.179 46 L CA 0.393 55.227 54.840 -0.011 0.000 0.828 46 L CB 0.618 42.664 42.059 -0.022 0.000 1.106 46 L HN -0.075 nan 8.230 nan 0.000 0.467 47 T N 2.507 117.065 114.554 0.007 0.000 2.781 47 T HA 0.457 4.807 4.350 0.001 0.000 0.305 47 T C 0.077 174.782 174.700 0.009 0.000 1.001 47 T CA -0.449 61.657 62.100 0.010 0.000 0.950 47 T CB 0.917 69.794 68.868 0.015 0.000 0.955 47 T HN 0.644 nan 8.240 nan 0.000 0.471 48 A N 3.859 126.680 122.820 0.002 0.000 2.269 48 A HA 0.586 4.906 4.320 0.001 0.000 0.302 48 A C 0.113 177.685 177.584 -0.019 0.000 1.266 48 A CA -0.547 51.486 52.037 -0.007 0.000 0.894 48 A CB 0.332 19.325 19.000 -0.012 0.000 1.147 48 A HN 0.657 nan 8.150 nan 0.000 0.537 49 V N 3.194 123.095 119.914 -0.022 0.000 2.334 49 V HA 0.507 4.628 4.120 0.001 0.000 0.267 49 V C 0.428 176.468 176.094 -0.090 0.000 1.040 49 V CA 0.142 62.414 62.300 -0.046 0.000 0.866 49 V CB 0.552 32.363 31.823 -0.020 0.000 1.019 49 V HN 0.873 nan 8.190 nan 0.000 0.468 50 S N 3.604 119.218 115.700 -0.142 0.000 2.614 50 S HA 0.326 4.797 4.470 0.001 0.000 0.275 50 S C 0.744 175.167 174.600 -0.296 0.000 1.161 50 S CA -0.662 57.422 58.200 -0.193 0.000 0.969 50 S CB 1.514 64.640 63.200 -0.122 0.000 1.059 50 S HN 0.724 nan 8.310 nan 0.000 0.482 51 N N 4.473 122.882 118.700 -0.484 0.000 2.094 51 N HA -0.053 4.688 4.740 0.001 0.000 0.191 51 N C 0.265 175.597 175.510 -0.297 0.000 1.023 51 N CA 1.912 54.638 53.050 -0.540 0.000 0.857 51 N CB -0.059 37.968 38.487 -0.767 0.000 1.013 51 N HN 0.748 nan 8.380 nan 0.000 0.426 52 N N -2.498 116.045 118.700 -0.260 0.000 2.966 52 N HA 0.588 5.328 4.740 0.001 0.000 0.314 52 N C -1.080 174.298 175.510 -0.219 0.000 1.397 52 N CA -0.356 52.552 53.050 -0.238 0.000 0.776 52 N CB 1.376 39.721 38.487 -0.236 0.000 1.576 52 N HN 0.038 nan 8.380 nan 0.000 0.592 53 A N -0.073 122.596 122.820 -0.252 0.000 2.630 53 A HA 0.639 4.960 4.320 0.001 0.000 0.290 53 A C 1.000 178.516 177.584 -0.114 0.000 1.267 53 A CA 0.288 52.203 52.037 -0.204 0.000 0.950 53 A CB -1.165 17.618 19.000 -0.361 0.000 1.144 53 A HN 0.924 nan 8.150 nan 0.000 0.527 54 G N -0.421 108.326 108.800 -0.088 0.000 2.582 54 G HA2 -0.090 3.871 3.960 0.001 0.000 0.288 54 G HA3 -0.090 3.871 3.960 0.001 0.000 0.288 54 G C 0.469 175.370 174.900 0.002 0.000 1.247 54 G CA 1.234 46.326 45.100 -0.014 0.000 0.972 54 G HN 1.850 nan 8.290 nan 0.000 0.557 55 V N -3.579 116.374 119.914 0.065 0.000 3.119 55 V HA 0.750 4.871 4.120 0.001 0.000 0.311 55 V C 0.012 176.151 176.094 0.075 0.000 1.259 55 V CA -0.391 61.943 62.300 0.057 0.000 1.067 55 V CB 1.417 33.284 31.823 0.074 0.000 1.123 55 V HN 0.826 nan 8.190 nan 0.000 0.463 56 D N 2.865 123.306 120.400 0.067 0.000 2.455 56 D HA 0.063 4.703 4.640 0.001 0.000 0.241 56 D C 0.968 177.329 176.300 0.101 0.000 1.138 56 D CA 1.383 55.428 54.000 0.074 0.000 0.877 56 D CB 0.215 41.050 40.800 0.059 0.000 1.187 56 D HN 1.013 nan 8.370 nan 0.000 0.451 57 N N 0.868 119.626 118.700 0.096 0.000 2.678 57 N HA -0.297 4.444 4.740 0.001 0.000 0.250 57 N C -0.605 175.047 175.510 0.236 0.000 1.136 57 N CA 0.930 54.053 53.050 0.122 0.000 0.757 57 N CB -1.617 36.933 38.487 0.106 0.000 1.135 57 N HN 0.289 nan 8.380 nan 0.000 0.565 58 F N -0.234 119.720 119.950 0.007 0.000 2.601 58 F HA 0.599 5.126 4.527 0.001 0.000 0.309 58 F C 1.133 176.936 175.800 0.005 0.000 1.089 58 F CA 1.018 59.023 58.000 0.007 0.000 0.940 58 F CB 1.566 40.572 39.000 0.010 0.000 1.273 58 F HN 0.330 nan 8.300 nan 0.000 0.450 59 G N 3.321 111.806 108.800 -0.525 0.000 2.547 59 G HA2 -0.345 3.615 3.960 0.001 0.000 0.271 59 G HA3 -0.345 3.615 3.960 0.001 0.000 0.271 59 G C 0.629 175.433 174.900 -0.160 0.000 1.209 59 G CA 0.234 45.166 45.100 -0.280 0.000 0.959 59 G HN 0.938 nan 8.290 nan 0.000 0.563 60 L N 2.030 123.199 121.223 -0.089 0.000 2.187 60 L HA 0.105 4.446 4.340 0.001 0.000 0.213 60 L C 3.175 180.029 176.870 -0.026 0.000 1.100 60 L CA 3.126 57.931 54.840 -0.059 0.000 0.765 60 L CB -0.829 41.201 42.059 -0.049 0.000 0.904 60 L HN 0.994 nan 8.230 nan 0.000 0.437 61 G N -0.846 107.949 108.800 -0.008 0.000 2.475 61 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 61 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 61 G C 1.601 176.513 174.900 0.020 0.000 1.125 61 G CA 1.048 46.166 45.100 0.031 0.000 0.755 61 G HN 0.414 nan 8.290 nan 0.000 0.565 62 L N -0.310 120.904 121.223 -0.015 0.000 2.083 62 L HA 0.005 4.346 4.340 0.001 0.000 0.209 62 L C 2.760 179.619 176.870 -0.018 0.000 1.083 62 L CA 0.617 55.447 54.840 -0.018 0.000 0.752 62 L CB -0.277 41.743 42.059 -0.065 0.000 0.899 62 L HN 0.191 nan 8.230 nan 0.000 0.433 63 L N -0.973 120.234 121.223 -0.027 0.000 2.313 63 L HA -0.125 4.216 4.340 0.001 0.000 0.214 63 L C 2.304 179.173 176.870 -0.003 0.000 1.119 63 L CA 0.551 55.377 54.840 -0.022 0.000 0.809 63 L CB -0.229 41.810 42.059 -0.033 0.000 0.933 63 L HN 0.275 nan 8.230 nan 0.000 0.449 64 L N -0.758 120.474 121.223 0.015 0.000 2.095 64 L HA -0.159 4.181 4.340 0.001 0.000 0.204 64 L C 2.646 179.529 176.870 0.021 0.000 1.080 64 L CA 0.710 55.569 54.840 0.031 0.000 0.759 64 L CB -0.365 41.737 42.059 0.072 0.000 0.914 64 L HN 0.236 nan 8.230 nan 0.000 0.439 65 Q N 0.786 120.600 119.800 0.023 0.000 2.096 65 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 65 Q C 2.158 178.163 176.000 0.008 0.000 0.982 65 Q CA 2.258 58.072 55.803 0.019 0.000 0.850 65 Q CB -0.261 28.491 28.738 0.024 0.000 0.901 65 Q HN 0.515 nan 8.270 nan 0.000 0.422 66 S N -0.778 114.923 115.700 0.001 0.000 2.603 66 S HA 0.103 4.573 4.470 0.001 0.000 0.220 66 S C 0.047 174.642 174.600 -0.008 0.000 0.967 66 S CA 0.232 58.429 58.200 -0.005 0.000 0.920 66 S CB -0.195 62.998 63.200 -0.012 0.000 0.773 66 S HN 0.430 nan 8.310 nan 0.000 0.529 67 K N 0.374 120.771 120.400 -0.005 0.000 3.071 67 K HA -0.224 4.096 4.320 0.001 0.000 0.265 67 K C 0.216 176.810 176.600 -0.011 0.000 1.060 67 K CA 0.937 57.220 56.287 -0.007 0.000 0.767 67 K CB -1.987 30.508 32.500 -0.009 0.000 1.241 67 K HN 0.586 nan 8.250 nan 0.000 0.486 68 Q N -0.036 119.756 119.800 -0.013 0.000 2.319 68 Q HA 0.150 4.491 4.340 0.001 0.000 0.202 68 Q C 0.045 176.035 176.000 -0.017 0.000 0.896 68 Q CA 0.113 55.904 55.803 -0.020 0.000 0.942 68 Q CB 0.542 29.262 28.738 -0.029 0.000 1.083 68 Q HN 0.242 nan 8.270 nan 0.000 0.510 69 I N 0.823 121.388 120.570 -0.008 0.000 2.378 69 I HA 0.126 4.296 4.170 0.001 0.000 0.291 69 I C 0.792 176.909 176.117 0.000 0.000 0.992 69 I CA -0.079 61.220 61.300 -0.002 0.000 1.154 69 I CB 1.609 39.616 38.000 0.012 0.000 1.315 69 I HN 0.014 nan 8.210 nan 0.000 0.448 70 K N 5.950 126.350 120.400 0.000 0.000 2.128 70 K HA 0.135 4.456 4.320 0.001 0.000 0.202 70 K C 0.658 177.263 176.600 0.008 0.000 1.050 70 K CA 0.610 56.898 56.287 0.001 0.000 0.966 70 K CB 0.816 33.316 32.500 -0.000 0.000 0.759 70 K HN 0.605 nan 8.250 nan 0.000 0.454 71 R N 0.334 120.842 120.500 0.013 0.000 2.651 71 R HA 0.326 4.667 4.340 0.001 0.000 0.278 71 R C -1.516 174.800 176.300 0.027 0.000 1.010 71 R CA -0.558 55.554 56.100 0.021 0.000 0.896 71 R CB 1.492 31.802 30.300 0.015 0.000 1.211 71 R HN 0.018 nan 8.270 nan 0.000 0.456 72 M N 4.586 124.212 119.600 0.045 0.000 2.336 72 M HA 0.456 4.936 4.480 0.001 0.000 0.342 72 M C -0.650 175.657 176.300 0.012 0.000 1.128 72 M CA -0.657 54.667 55.300 0.039 0.000 1.016 72 M CB 2.022 34.685 32.600 0.105 0.000 1.665 72 M HN 0.423 nan 8.290 nan 0.000 0.445 73 I N 2.126 122.684 120.570 -0.021 0.000 2.420 73 I HA 0.429 4.600 4.170 0.001 0.000 0.282 73 I C -0.684 175.384 176.117 -0.081 0.000 1.019 73 I CA -0.121 61.156 61.300 -0.038 0.000 1.130 73 I CB 1.402 39.385 38.000 -0.029 0.000 1.262 73 I HN 0.664 nan 8.210 nan 0.000 0.454 74 S N 1.980 117.624 115.700 -0.094 0.000 2.638 74 S HA 0.310 4.781 4.470 0.001 0.000 0.274 74 S C 0.436 174.960 174.600 -0.127 0.000 1.157 74 S CA -0.557 57.556 58.200 -0.146 0.000 0.826 74 S CB 2.037 65.140 63.200 -0.161 0.000 1.139 74 S HN 0.685 nan 8.310 nan 0.000 0.474 75 S N -0.247 115.377 115.700 -0.126 0.000 2.506 75 S HA 0.295 4.765 4.470 0.001 0.000 0.219 75 S C -0.208 174.410 174.600 0.031 0.000 1.031 75 S CA 0.037 58.199 58.200 -0.063 0.000 0.911 75 S CB 0.001 63.179 63.200 -0.038 0.000 0.812 75 S HN 0.749 nan 8.310 nan 0.000 0.497 76 Y N 0.940 121.141 120.300 -0.166 0.000 2.390 76 Y HA 0.490 5.041 4.550 0.002 0.000 0.324 76 Y C -0.661 175.081 175.900 -0.264 0.000 1.151 76 Y CA -1.066 56.940 58.100 -0.157 0.000 1.053 76 Y CB 1.898 40.286 38.460 -0.120 0.000 1.277 76 Y HN 0.111 nan 8.280 nan 0.000 0.432 77 V N 2.697 122.008 119.914 -1.005 0.000 3.017 77 V HA 0.634 4.755 4.120 0.001 0.000 0.354 77 V C 0.712 176.167 176.094 -1.065 0.000 1.389 77 V CA 0.233 61.911 62.300 -1.038 0.000 1.163 77 V CB 0.063 31.069 31.823 -1.363 0.000 1.178 77 V HN 0.946 nan 8.190 nan 0.000 0.547 78 G N 0.256 108.263 108.800 -1.322 0.000 2.653 78 G HA2 0.470 4.430 3.960 0.001 0.000 0.265 78 G HA3 0.470 4.430 3.960 0.001 0.000 0.265 78 G C 0.248 174.960 174.900 -0.313 0.000 1.237 78 G CA 0.164 44.858 45.100 -0.677 0.000 0.946 78 G HN 0.608 nan 8.290 nan 0.000 0.522 79 E N -1.433 118.699 120.200 -0.114 0.000 2.513 79 E HA -0.174 4.177 4.350 0.001 0.000 0.257 79 E C -0.141 176.435 176.600 -0.040 0.000 1.098 79 E CA 1.043 57.423 56.400 -0.034 0.000 0.752 79 E CB -1.298 28.410 29.700 0.014 0.000 1.324 79 E HN 0.458 nan 8.360 nan 0.000 0.403 80 N N -1.068 117.608 118.700 -0.041 0.000 2.594 80 N HA 0.479 5.220 4.740 0.001 0.000 0.280 80 N C 0.431 176.004 175.510 0.105 0.000 1.156 80 N CA 0.471 53.534 53.050 0.022 0.000 0.831 80 N CB 0.971 39.451 38.487 -0.011 0.000 1.379 80 N HN 0.049 nan 8.380 nan 0.000 0.536 81 A N 2.477 125.346 122.820 0.083 0.000 1.933 81 A HA -0.144 4.177 4.320 0.001 0.000 0.218 81 A C 1.747 179.390 177.584 0.098 0.000 1.175 81 A CA 1.672 53.761 52.037 0.086 0.000 0.628 81 A CB -0.262 18.771 19.000 0.054 0.000 0.814 81 A HN 0.677 nan 8.150 nan 0.000 0.444 82 E N -0.716 119.543 120.200 0.097 0.000 2.150 82 E HA -0.144 4.207 4.350 0.001 0.000 0.193 82 E C 1.570 178.230 176.600 0.100 0.000 0.985 82 E CA 1.243 57.690 56.400 0.078 0.000 0.814 82 E CB -0.509 29.230 29.700 0.065 0.000 0.752 82 E HN 0.568 nan 8.360 nan 0.000 0.466 83 F N 1.305 121.260 119.950 0.008 0.000 2.134 83 F HA -0.103 4.424 4.527 0.001 0.000 0.299 83 F C 2.121 177.954 175.800 0.056 0.000 1.097 83 F CA 2.091 60.098 58.000 0.012 0.000 1.264 83 F CB -0.349 38.630 39.000 -0.035 0.000 1.001 83 F HN 0.111 nan 8.300 nan 0.000 0.479 84 E N 0.240 120.596 120.200 0.260 0.000 2.058 84 E HA -0.278 4.073 4.350 0.001 0.000 0.194 84 E C 2.559 179.185 176.600 0.043 0.000 0.997 84 E CA 1.322 57.827 56.400 0.175 0.000 0.801 84 E CB -0.313 29.497 29.700 0.183 0.000 0.746 84 E HN 0.385 nan 8.360 nan 0.000 0.450 85 R N 0.232 120.747 120.500 0.025 0.000 2.083 85 R HA -0.207 4.134 4.340 0.001 0.000 0.237 85 R C 2.339 178.611 176.300 -0.046 0.000 1.137 85 R CA 2.056 58.150 56.100 -0.009 0.000 0.951 85 R CB -0.101 30.198 30.300 -0.001 0.000 0.851 85 R HN 0.312 nan 8.270 nan 0.000 0.434 86 Q N -1.064 118.693 119.800 -0.071 0.000 2.119 86 Q HA -0.214 4.126 4.340 0.001 0.000 0.201 86 Q C 1.874 177.817 176.000 -0.095 0.000 0.972 86 Q CA 1.632 57.383 55.803 -0.087 0.000 0.847 86 Q CB -0.242 28.438 28.738 -0.097 0.000 0.903 86 Q HN 0.412 nan 8.270 nan 0.000 0.433 87 Y N 1.442 121.550 120.300 -0.319 0.000 2.133 87 Y HA -0.185 4.365 4.550 0.001 0.000 0.287 87 Y C 1.810 177.694 175.900 -0.028 0.000 1.134 87 Y CA 1.348 59.292 58.100 -0.260 0.000 1.133 87 Y CB -0.317 37.856 38.460 -0.479 0.000 0.987 87 Y HN -0.019 nan 8.280 nan 0.000 0.502 88 L N -0.113 121.026 121.223 -0.139 0.000 2.131 88 L HA -0.181 4.160 4.340 0.001 0.000 0.210 88 L C 2.550 179.276 176.870 -0.240 0.000 1.092 88 L CA 1.143 55.821 54.840 -0.269 0.000 0.759 88 L CB -0.873 41.095 42.059 -0.152 0.000 0.903 88 L HN 0.349 nan 8.230 nan 0.000 0.435 89 A N -0.452 122.283 122.820 -0.142 0.000 2.208 89 A HA 0.260 4.580 4.320 0.001 0.000 0.209 89 A C 1.752 179.288 177.584 -0.080 0.000 1.161 89 A CA 0.778 52.752 52.037 -0.106 0.000 0.782 89 A CB -0.379 18.578 19.000 -0.072 0.000 0.816 89 A HN 0.522 nan 8.150 nan 0.000 0.477 90 G N -0.679 108.075 108.800 -0.077 0.000 2.137 90 G HA2 -0.237 3.724 3.960 0.001 0.000 0.237 90 G HA3 -0.237 3.724 3.960 0.001 0.000 0.237 90 G C 0.251 175.129 174.900 -0.038 0.000 1.002 90 G CA 0.508 45.586 45.100 -0.037 0.000 0.702 90 G HN 0.603 nan 8.290 nan 0.000 0.515 91 E N -1.285 118.888 120.200 -0.045 0.000 2.481 91 E HA 0.432 4.783 4.350 0.001 0.000 0.198 91 E C 0.341 176.923 176.600 -0.031 0.000 1.027 91 E CA -0.021 56.358 56.400 -0.035 0.000 0.900 91 E CB 0.744 30.422 29.700 -0.037 0.000 0.993 91 E HN 0.439 nan 8.360 nan 0.000 0.482 92 L N 0.718 121.924 121.223 -0.028 0.000 2.472 92 L HA 0.343 4.683 4.340 0.001 0.000 0.260 92 L C -1.519 175.373 176.870 0.036 0.000 0.963 92 L CA -0.551 54.278 54.840 -0.018 0.000 0.829 92 L CB 2.097 44.105 42.059 -0.085 0.000 1.348 92 L HN -0.232 nan 8.230 nan 0.000 0.408 93 E N 3.203 123.425 120.200 0.036 0.000 2.216 93 E HA 0.640 4.991 4.350 0.001 0.000 0.279 93 E C -1.357 175.286 176.600 0.071 0.000 0.997 93 E CA -0.747 55.688 56.400 0.058 0.000 0.817 93 E CB 2.273 31.988 29.700 0.026 0.000 1.096 93 E HN 0.417 nan 8.360 nan 0.000 0.393 94 V N 2.876 122.844 119.914 0.091 0.000 2.482 94 V HA 0.188 4.309 4.120 0.001 0.000 0.295 94 V C -0.545 175.565 176.094 0.027 0.000 1.026 94 V CA -0.698 61.630 62.300 0.047 0.000 0.856 94 V CB 1.663 33.443 31.823 -0.072 0.000 1.001 94 V HN 0.678 nan 8.190 nan 0.000 0.424 95 E N 5.250 125.459 120.200 0.016 0.000 2.102 95 E HA 0.504 4.855 4.350 0.001 0.000 0.263 95 E C -1.087 175.502 176.600 -0.017 0.000 0.894 95 E CA -0.583 55.819 56.400 0.003 0.000 0.746 95 E CB 1.047 30.747 29.700 -0.000 0.000 1.129 95 E HN 0.647 nan 8.360 nan 0.000 0.416 96 L N 3.823 125.037 121.223 -0.016 0.000 2.367 96 L HA 0.336 4.677 4.340 0.001 0.000 0.275 96 L C -0.087 176.739 176.870 -0.074 0.000 1.129 96 L CA -0.020 54.794 54.840 -0.044 0.000 0.839 96 L CB 1.154 43.204 42.059 -0.015 0.000 1.133 96 L HN 0.529 nan 8.230 nan 0.000 0.453 97 T N 2.441 116.938 114.554 -0.096 0.000 2.916 97 T HA 0.372 4.723 4.350 0.001 0.000 0.298 97 T C -2.613 172.009 174.700 -0.129 0.000 1.031 97 T CA -1.560 60.481 62.100 -0.099 0.000 0.993 97 T CB 2.059 70.888 68.868 -0.064 0.000 1.045 97 T HN 0.234 nan 8.240 nan 0.000 0.454 98 P HA 0.067 nan 4.420 nan 0.000 0.266 98 P C 0.811 178.000 177.300 -0.186 0.000 1.193 98 P CA -0.013 62.977 63.100 -0.183 0.000 0.770 98 P CB 0.651 32.252 31.700 -0.165 0.000 0.836 99 Q N 2.377 122.034 119.800 -0.238 0.000 2.084 99 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 99 Q C 2.015 177.654 176.000 -0.602 0.000 0.978 99 Q CA 2.193 57.844 55.803 -0.253 0.000 0.844 99 Q CB -0.760 27.904 28.738 -0.123 0.000 0.898 99 Q HN 0.695 nan 8.270 nan 0.000 0.426 100 G N -0.794 107.281 108.800 -1.208 0.000 2.421 100 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 100 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 100 G C 1.310 176.061 174.900 -0.248 0.000 1.143 100 G CA 1.105 45.560 45.100 -1.076 0.000 0.784 100 G HN 0.328 nan 8.290 nan 0.000 0.541 101 T N 0.993 115.465 114.554 -0.137 0.000 2.812 101 T HA -0.073 4.277 4.350 0.001 0.000 0.264 101 T C 2.243 177.003 174.700 0.100 0.000 1.042 101 T CA 1.004 63.146 62.100 0.071 0.000 1.140 101 T CB -0.196 68.699 68.868 0.045 0.000 0.870 101 T HN 0.128 nan 8.240 nan 0.000 0.445 102 L N 1.629 122.879 121.223 0.045 0.000 2.012 102 L HA -0.038 4.302 4.340 0.001 0.000 0.210 102 L C 2.582 179.590 176.870 0.230 0.000 1.073 102 L CA 2.083 56.992 54.840 0.116 0.000 0.748 102 L CB -1.027 41.073 42.059 0.068 0.000 0.891 102 L HN 0.226 nan 8.230 nan 0.000 0.431 103 A N -1.026 121.954 122.820 0.266 0.000 1.902 103 A HA -0.240 4.081 4.320 0.001 0.000 0.217 103 A C 2.271 179.863 177.584 0.013 0.000 1.181 103 A CA 1.745 53.863 52.037 0.136 0.000 0.623 103 A CB -0.688 18.247 19.000 -0.109 0.000 0.818 103 A HN 0.541 nan 8.150 nan 0.000 0.443 104 E N -0.068 120.115 120.200 -0.029 0.000 2.152 104 E HA -0.089 4.262 4.350 0.001 0.000 0.192 104 E C 2.142 178.655 176.600 -0.144 0.000 0.983 104 E CA 1.094 57.363 56.400 -0.218 0.000 0.818 104 E CB -0.184 29.263 29.700 -0.422 0.000 0.758 104 E HN 0.584 nan 8.360 nan 0.000 0.467 105 R N -0.220 120.373 120.500 0.154 0.000 2.092 105 R HA -0.021 4.319 4.340 0.001 0.000 0.231 105 R C 2.387 178.760 176.300 0.122 0.000 1.119 105 R CA 1.502 57.761 56.100 0.264 0.000 0.970 105 R CB -0.312 30.125 30.300 0.228 0.000 0.864 105 R HN 0.273 nan 8.270 nan 0.000 0.440 106 I N 0.204 120.827 120.570 0.088 0.000 2.252 106 I HA -0.249 3.921 4.170 0.001 0.000 0.245 106 I C 2.775 178.897 176.117 0.008 0.000 1.102 106 I CA 1.030 62.367 61.300 0.061 0.000 1.385 106 I CB -0.258 37.802 38.000 0.100 0.000 1.064 106 I HN 0.143 nan 8.210 nan 0.000 0.414 107 R N 1.449 121.928 120.500 -0.035 0.000 2.081 107 R HA -0.194 4.147 4.340 0.001 0.000 0.235 107 R C 2.348 178.609 176.300 -0.064 0.000 1.131 107 R CA 1.658 57.709 56.100 -0.082 0.000 0.960 107 R CB -0.263 29.957 30.300 -0.132 0.000 0.856 107 R HN 0.347 nan 8.270 nan 0.000 0.436 108 A N 0.422 123.207 122.820 -0.058 0.000 1.908 108 A HA -0.101 4.219 4.320 0.001 0.000 0.218 108 A C 2.355 179.958 177.584 0.032 0.000 1.181 108 A CA 1.732 53.766 52.037 -0.005 0.000 0.627 108 A CB -1.238 17.821 19.000 0.098 0.000 0.818 108 A HN 0.591 nan 8.150 nan 0.000 0.445 109 G N -1.105 107.720 108.800 0.041 0.000 2.479 109 G HA2 0.089 4.050 3.960 0.001 0.000 0.220 109 G HA3 0.089 4.050 3.960 0.001 0.000 0.220 109 G C 1.189 176.109 174.900 0.033 0.000 1.115 109 G CA 1.197 46.322 45.100 0.042 0.000 0.757 109 G HN 0.814 nan 8.290 nan 0.000 0.560 110 G N -0.730 108.079 108.800 0.015 0.000 3.159 110 G HA2 0.404 4.365 3.960 0.001 0.000 0.232 110 G HA3 0.404 4.365 3.960 0.001 0.000 0.232 110 G C 1.088 176.019 174.900 0.051 0.000 1.116 110 G CA 0.925 46.041 45.100 0.027 0.000 0.767 110 G HN 0.525 nan 8.290 nan 0.000 0.547 111 A N -0.305 122.533 122.820 0.030 0.000 2.430 111 A HA 0.537 4.857 4.320 0.001 0.000 0.243 111 A C 1.758 179.363 177.584 0.035 0.000 1.254 111 A CA 0.918 52.974 52.037 0.032 0.000 0.914 111 A CB -0.218 18.780 19.000 -0.003 0.000 0.998 111 A HN 1.360 nan 8.150 nan 0.000 0.515 112 G N -1.000 107.824 108.800 0.041 0.000 2.153 112 G HA2 -0.189 3.771 3.960 0.001 0.000 0.252 112 G HA3 -0.189 3.771 3.960 0.001 0.000 0.252 112 G C 0.055 174.977 174.900 0.037 0.000 0.994 112 G CA 0.350 45.473 45.100 0.038 0.000 0.698 112 G HN 0.889 nan 8.290 nan 0.000 0.521 113 V N 1.744 121.684 119.914 0.043 0.000 2.357 113 V HA 0.386 4.507 4.120 0.001 0.000 0.284 113 V C -0.266 175.876 176.094 0.079 0.000 1.018 113 V CA -0.711 61.624 62.300 0.059 0.000 0.841 113 V CB 1.811 33.669 31.823 0.060 0.000 0.991 113 V HN 0.156 nan 8.190 nan 0.000 0.437 114 P HA 0.160 nan 4.420 nan 0.000 0.227 114 P C 0.207 177.532 177.300 0.041 0.000 1.161 114 P CA 0.709 63.838 63.100 0.047 0.000 0.788 114 P CB 0.910 32.626 31.700 0.026 0.000 0.822 115 A N -0.728 122.123 122.820 0.051 0.000 2.597 115 A HA 0.648 4.969 4.320 0.001 0.000 0.292 115 A C -1.464 176.117 177.584 -0.005 0.000 1.057 115 A CA -0.638 51.365 52.037 -0.057 0.000 0.674 115 A CB 0.535 19.433 19.000 -0.170 0.000 1.278 115 A HN 0.104 nan 8.150 nan 0.000 0.416 116 F N -1.711 118.123 119.950 -0.193 0.000 2.779 116 F HA 0.841 5.369 4.527 0.001 0.000 0.316 116 F C -1.690 173.929 175.800 -0.302 0.000 1.164 116 F CA -1.415 56.477 58.000 -0.179 0.000 0.924 116 F CB 0.703 39.653 39.000 -0.083 0.000 1.348 116 F HN 0.498 nan 8.300 nan 0.000 0.467 117 Y N 0.073 120.387 120.300 0.024 0.000 2.420 117 Y HA 0.661 5.211 4.550 0.001 0.000 0.334 117 Y C 0.311 176.355 175.900 0.240 0.000 1.094 117 Y CA -0.504 57.600 58.100 0.007 0.000 1.126 117 Y CB 2.120 40.510 38.460 -0.116 0.000 1.217 117 Y HN 0.884 nan 8.280 nan 0.000 0.462 118 T N -0.241 114.616 114.554 0.505 0.000 2.923 118 T HA 0.201 4.552 4.350 0.001 0.000 0.311 118 T C 0.546 175.597 174.700 0.586 0.000 1.183 118 T CA -0.320 62.121 62.100 0.568 0.000 1.020 118 T CB 1.548 70.688 68.868 0.453 0.000 1.165 118 T HN 0.620 nan 8.240 nan 0.000 0.482 119 S N 1.930 117.912 115.700 0.470 0.000 2.428 119 S HA 0.063 4.533 4.470 0.001 0.000 0.230 119 S C 0.899 175.593 174.600 0.157 0.000 1.014 119 S CA 0.956 59.209 58.200 0.089 0.000 0.957 119 S CB -0.421 62.761 63.200 -0.030 0.000 0.784 119 S HN 0.856 nan 8.310 nan 0.000 0.499 120 T N 1.928 116.588 114.554 0.177 0.000 2.831 120 T HA 0.413 4.763 4.350 0.001 0.000 0.291 120 T C 1.209 175.961 174.700 0.086 0.000 0.981 120 T CA 0.803 62.972 62.100 0.115 0.000 1.174 120 T CB 0.275 69.202 68.868 0.099 0.000 0.929 120 T HN 0.726 nan 8.240 nan 0.000 0.532 121 G N 2.850 111.674 108.800 0.040 0.000 2.217 121 G HA2 -0.283 3.677 3.960 0.001 0.000 0.246 121 G HA3 -0.283 3.677 3.960 0.001 0.000 0.246 121 G C 0.077 174.988 174.900 0.019 0.000 0.990 121 G CA -0.040 45.056 45.100 -0.007 0.000 0.627 121 G HN 0.838 nan 8.290 nan 0.000 0.522 122 Y N 1.626 121.931 120.300 0.009 0.000 2.717 122 Y HA 0.324 4.874 4.550 0.001 0.000 0.330 122 Y C 1.535 177.430 175.900 -0.008 0.000 1.217 122 Y CA 1.335 59.438 58.100 0.004 0.000 1.506 122 Y CB 0.525 38.980 38.460 -0.009 0.000 1.268 122 Y HN 1.543 nan 8.280 nan 0.000 0.561 123 G N 3.281 111.372 108.800 -1.182 0.000 2.148 123 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 123 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 123 G C 0.190 174.906 174.900 -0.307 0.000 0.981 123 G CA 0.669 45.273 45.100 -0.827 0.000 0.670 123 G HN 1.213 nan 8.290 nan 0.000 0.528 124 T N -3.147 111.297 114.554 -0.182 0.000 2.762 124 T HA 0.702 5.053 4.350 0.001 0.000 0.272 124 T C 1.519 176.224 174.700 0.009 0.000 0.982 124 T CA -0.214 61.874 62.100 -0.021 0.000 1.013 124 T CB 1.152 70.031 68.868 0.018 0.000 1.309 124 T HN 0.215 nan 8.240 nan 0.000 0.572 125 L N 0.611 121.904 121.223 0.118 0.000 2.353 125 L HA -0.028 4.313 4.340 0.001 0.000 0.220 125 L C 2.648 179.551 176.870 0.054 0.000 1.133 125 L CA 0.472 55.383 54.840 0.118 0.000 0.798 125 L CB -0.564 41.649 42.059 0.257 0.000 0.922 125 L HN 0.535 nan 8.230 nan 0.000 0.445 126 V N -0.399 119.516 119.914 0.002 0.000 2.358 126 V HA -0.280 3.840 4.120 0.001 0.000 0.246 126 V C 2.448 178.533 176.094 -0.015 0.000 1.047 126 V CA 1.829 64.109 62.300 -0.033 0.000 1.035 126 V CB -0.398 31.377 31.823 -0.080 0.000 0.658 126 V HN 0.546 nan 8.190 nan 0.000 0.452 127 Q N 0.041 119.829 119.800 -0.020 0.000 2.083 127 Q HA -0.196 4.145 4.340 0.001 0.000 0.198 127 Q C 2.099 178.096 176.000 -0.007 0.000 0.969 127 Q CA 1.678 57.478 55.803 -0.006 0.000 0.838 127 Q CB 0.023 28.742 28.738 -0.032 0.000 0.900 127 Q HN 0.730 nan 8.270 nan 0.000 0.436 128 E N -0.233 119.957 120.200 -0.017 0.000 2.208 128 E HA 0.079 4.429 4.350 0.001 0.000 0.193 128 E C 0.817 177.422 176.600 0.008 0.000 0.988 128 E CA 0.357 56.753 56.400 -0.007 0.000 0.828 128 E CB 0.052 29.747 29.700 -0.008 0.000 0.763 128 E HN 0.518 nan 8.360 nan 0.000 0.478 129 G N -0.519 108.290 108.800 0.015 0.000 2.782 129 G HA2 -0.106 3.855 3.960 0.001 0.000 0.228 129 G HA3 -0.106 3.855 3.960 0.001 0.000 0.228 129 G C 0.660 175.576 174.900 0.027 0.000 1.372 129 G CA -0.396 44.715 45.100 0.018 0.000 0.862 129 G HN 0.705 nan 8.290 nan 0.000 0.547 130 G N -2.217 106.596 108.800 0.022 0.000 2.195 130 G HA2 0.042 4.002 3.960 0.001 0.000 0.224 130 G HA3 0.042 4.002 3.960 0.001 0.000 0.224 130 G C 0.658 175.578 174.900 0.033 0.000 0.990 130 G CA 0.978 46.092 45.100 0.023 0.000 0.639 130 G HN 2.010 nan 8.290 nan 0.000 0.514 131 S N 2.222 117.953 115.700 0.052 0.000 2.564 131 S HA 0.492 4.963 4.470 0.001 0.000 0.278 131 S C -2.259 172.357 174.600 0.027 0.000 1.333 131 S CA -0.544 57.699 58.200 0.073 0.000 1.048 131 S CB 1.360 64.633 63.200 0.122 0.000 0.900 131 S HN 0.203 nan 8.310 nan 0.000 0.505 132 P HA 0.258 nan 4.420 nan 0.000 0.275 132 P C 0.156 177.437 177.300 -0.032 0.000 1.276 132 P CA 0.027 63.041 63.100 -0.143 0.000 0.782 132 P CB 0.214 31.710 31.700 -0.340 0.000 0.851 133 I N 2.098 122.641 120.570 -0.045 0.000 2.703 133 I HA 0.024 4.195 4.170 0.001 0.000 0.259 133 I C 1.150 177.296 176.117 0.050 0.000 1.151 133 I CA 0.999 62.325 61.300 0.044 0.000 1.470 133 I CB 0.181 38.184 38.000 0.005 0.000 1.112 133 I HN 0.270 nan 8.210 nan 0.000 0.437 134 K N -0.137 120.173 120.400 -0.150 0.000 2.525 134 K HA 0.339 4.660 4.320 0.001 0.000 0.254 134 K C -1.765 174.609 176.600 -0.378 0.000 0.934 134 K CA -0.572 55.597 56.287 -0.196 0.000 0.802 134 K CB 2.022 34.473 32.500 -0.082 0.000 1.295 134 K HN -0.266 nan 8.250 nan 0.000 0.433 135 Y N 0.931 121.110 120.300 -0.201 0.000 2.488 135 Y HA 0.357 4.908 4.550 0.001 0.000 0.325 135 Y C 0.868 176.691 175.900 -0.129 0.000 1.204 135 Y CA -0.486 57.502 58.100 -0.187 0.000 1.229 135 Y CB 1.166 39.456 38.460 -0.284 0.000 1.274 135 Y HN 0.539 nan 8.280 nan 0.000 0.493 136 N N 0.490 119.256 118.700 0.109 0.000 2.478 136 N HA 0.155 4.895 4.740 0.001 0.000 0.275 136 N C 0.826 176.343 175.510 0.012 0.000 1.221 136 N CA -0.430 52.641 53.050 0.034 0.000 0.979 136 N CB 0.937 39.438 38.487 0.023 0.000 1.202 136 N HN 0.452 nan 8.380 nan 0.000 0.564 137 K N 0.755 121.148 120.400 -0.013 0.000 2.063 137 K HA -0.150 4.171 4.320 0.001 0.000 0.208 137 K C 0.839 177.411 176.600 -0.046 0.000 1.048 137 K CA 1.382 57.649 56.287 -0.033 0.000 0.928 137 K CB -0.504 31.980 32.500 -0.028 0.000 0.713 137 K HN 0.653 nan 8.250 nan 0.000 0.442 138 D N -0.481 119.899 120.400 -0.033 0.000 2.352 138 D HA -0.017 4.624 4.640 0.001 0.000 0.232 138 D C 1.054 177.319 176.300 -0.058 0.000 1.055 138 D CA 0.903 54.879 54.000 -0.040 0.000 0.891 138 D CB -0.223 40.562 40.800 -0.024 0.000 0.897 138 D HN 0.309 nan 8.370 nan 0.000 0.529 139 G N 0.204 108.959 108.800 -0.076 0.000 2.179 139 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 139 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 139 G C 0.431 175.333 174.900 0.003 0.000 0.977 139 G CA 0.557 45.567 45.100 -0.150 0.000 0.641 139 G HN 0.797 nan 8.290 nan 0.000 0.533 140 S N -0.531 115.207 115.700 0.064 0.000 2.645 140 S HA 0.720 5.191 4.470 0.001 0.000 0.266 140 S C 0.335 175.044 174.600 0.182 0.000 1.258 140 S CA -0.660 57.601 58.200 0.102 0.000 0.990 140 S CB 1.645 64.871 63.200 0.044 0.000 0.967 140 S HN 0.515 nan 8.310 nan 0.000 0.556 141 I N 1.488 122.119 120.570 0.101 0.000 2.441 141 I HA 0.380 4.551 4.170 0.001 0.000 0.287 141 I C 1.080 177.173 176.117 -0.039 0.000 1.049 141 I CA -0.017 61.270 61.300 -0.021 0.000 1.381 141 I CB 1.158 39.123 38.000 -0.057 0.000 1.409 141 I HN 0.919 nan 8.210 nan 0.000 0.523 142 A N 7.140 129.911 122.820 -0.081 0.000 1.942 142 A HA 0.455 4.776 4.320 0.001 0.000 0.209 142 A C 0.743 178.292 177.584 -0.058 0.000 1.214 142 A CA 0.755 52.760 52.037 -0.052 0.000 0.686 142 A CB 0.176 19.148 19.000 -0.047 0.000 0.871 142 A HN 0.567 nan 8.150 nan 0.000 0.460 143 I N -0.581 119.936 120.570 -0.089 0.000 2.569 143 I HA 0.583 4.754 4.170 0.001 0.000 0.290 143 I C -0.373 175.699 176.117 -0.074 0.000 1.088 143 I CA -0.707 60.555 61.300 -0.063 0.000 1.047 143 I CB 2.165 40.137 38.000 -0.046 0.000 1.237 143 I HN 0.174 nan 8.210 nan 0.000 0.421 144 A N 3.698 126.491 122.820 -0.045 0.000 2.356 144 A HA 0.798 5.118 4.320 0.001 0.000 0.323 144 A C 0.012 177.588 177.584 -0.014 0.000 1.119 144 A CA -0.564 51.453 52.037 -0.034 0.000 0.790 144 A CB 1.456 20.442 19.000 -0.023 0.000 1.273 144 A HN 0.774 nan 8.150 nan 0.000 0.452 145 S N 0.983 116.682 115.700 -0.001 0.000 2.579 145 S HA 0.357 4.827 4.470 0.001 0.000 0.275 145 S C -0.171 174.431 174.600 0.003 0.000 1.345 145 S CA -0.219 57.984 58.200 0.005 0.000 1.031 145 S CB 0.240 63.451 63.200 0.018 0.000 0.892 145 S HN 0.593 nan 8.310 nan 0.000 0.529 146 K N 2.102 122.501 120.400 -0.001 0.000 2.118 146 K HA 0.484 4.805 4.320 0.001 0.000 0.267 146 K C -2.283 174.317 176.600 -0.001 0.000 0.991 146 K CA -2.103 54.183 56.287 -0.002 0.000 0.916 146 K CB 0.493 32.989 32.500 -0.006 0.000 1.041 146 K HN 0.518 nan 8.250 nan 0.000 0.455 147 P HA 0.164 nan 4.420 nan 0.000 0.277 147 P C -0.808 176.493 177.300 0.003 0.000 1.276 147 P CA -0.412 62.691 63.100 0.005 0.000 0.788 147 P CB 0.716 32.422 31.700 0.011 0.000 1.114 148 R N -0.010 120.498 120.500 0.013 0.000 2.744 148 R HA 0.356 4.697 4.340 0.001 0.000 0.279 148 R C 0.057 176.389 176.300 0.053 0.000 0.977 148 R CA -0.822 55.285 56.100 0.011 0.000 0.906 148 R CB 1.348 31.651 30.300 0.005 0.000 1.197 148 R HN 0.530 nan 8.270 nan 0.000 0.463 149 E N 0.850 121.084 120.200 0.057 0.000 2.404 149 E HA 0.218 4.568 4.350 0.001 0.000 0.261 149 E C -0.346 176.377 176.600 0.205 0.000 1.074 149 E CA -0.280 56.189 56.400 0.114 0.000 0.917 149 E CB 0.925 30.693 29.700 0.113 0.000 0.965 149 E HN 0.099 nan 8.360 nan 0.000 0.433 150 V N 2.453 122.503 119.914 0.225 0.000 2.555 150 V HA 0.520 4.641 4.120 0.001 0.000 0.302 150 V C -0.125 176.111 176.094 0.236 0.000 1.038 150 V CA -0.687 61.784 62.300 0.285 0.000 0.887 150 V CB 1.605 33.593 31.823 0.275 0.000 0.991 150 V HN 0.608 nan 8.190 nan 0.000 0.434 151 R N 2.263 122.896 120.500 0.222 0.000 2.626 151 R HA 0.590 4.931 4.340 0.001 0.000 0.274 151 R C -1.450 174.760 176.300 -0.149 0.000 1.031 151 R CA -0.672 55.395 56.100 -0.055 0.000 0.898 151 R CB 2.299 32.456 30.300 -0.238 0.000 1.222 151 R HN 0.722 nan 8.270 nan 0.000 0.455 152 E N 2.319 122.316 120.200 -0.339 0.000 2.266 152 E HA 0.385 4.735 4.350 0.001 0.000 0.277 152 E C -1.312 174.904 176.600 -0.639 0.000 1.018 152 E CA 0.019 56.224 56.400 -0.325 0.000 0.840 152 E CB 0.883 30.384 29.700 -0.332 0.000 1.082 152 E HN 0.280 nan 8.360 nan 0.000 0.395 153 F N 1.897 121.874 119.950 0.045 0.000 2.557 153 F HA 0.309 4.836 4.527 0.001 0.000 0.316 153 F C 0.027 175.852 175.800 0.042 0.000 1.141 153 F CA -1.133 56.837 58.000 -0.050 0.000 0.922 153 F CB 1.414 40.236 39.000 -0.296 0.000 1.194 153 F HN 0.330 nan 8.300 nan 0.000 0.443 154 N N 2.211 120.977 118.700 0.110 0.000 2.714 154 N HA -0.226 4.515 4.740 0.001 0.000 0.252 154 N C 1.087 176.616 175.510 0.032 0.000 1.014 154 N CA 1.265 54.355 53.050 0.068 0.000 0.735 154 N CB -1.034 37.511 38.487 0.098 0.000 0.924 154 N HN 1.214 nan 8.380 nan 0.000 0.540 155 G N -0.997 107.778 108.800 -0.042 0.000 2.179 155 G HA2 -0.364 3.597 3.960 0.001 0.000 0.260 155 G HA3 -0.364 3.597 3.960 0.001 0.000 0.260 155 G C -0.158 174.626 174.900 -0.192 0.000 0.977 155 G CA 0.868 45.902 45.100 -0.111 0.000 0.641 155 G HN 0.705 nan 8.290 nan 0.000 0.533 156 Q N -0.213 119.508 119.800 -0.132 0.000 2.348 156 Q HA 0.607 4.948 4.340 0.001 0.000 0.271 156 Q C -0.676 175.039 176.000 -0.475 0.000 1.067 156 Q CA -0.853 54.765 55.803 -0.309 0.000 0.839 156 Q CB 1.131 29.735 28.738 -0.224 0.000 1.354 156 Q HN 0.568 nan 8.270 nan 0.000 0.447 157 H N 1.257 119.960 119.070 -0.613 0.000 2.502 157 H HA 0.417 4.973 4.556 0.001 0.000 0.327 157 H C -1.129 173.681 175.328 -0.863 0.000 1.099 157 H CA 0.172 55.769 56.048 -0.750 0.000 1.323 157 H CB 0.638 29.460 29.762 -1.567 0.000 1.450 157 H HN 0.341 nan 8.280 nan 0.000 0.502 158 F N 1.486 121.436 119.950 -0.000 0.000 2.640 158 F HA 0.472 5.000 4.527 0.001 0.000 0.324 158 F C -0.117 175.893 175.800 0.350 0.000 1.077 158 F CA -1.195 56.932 58.000 0.212 0.000 0.965 158 F CB 1.409 40.604 39.000 0.326 0.000 1.351 158 F HN 0.363 nan 8.300 nan 0.000 0.487 159 I N 0.334 121.247 120.570 0.571 0.000 2.740 159 I HA 0.677 4.847 4.170 0.001 0.000 0.303 159 I C -1.540 174.684 176.117 0.178 0.000 1.044 159 I CA -1.244 60.291 61.300 0.392 0.000 1.064 159 I CB 2.111 40.249 38.000 0.230 0.000 1.249 159 I HN 0.438 nan 8.210 nan 0.000 0.433 160 L N 4.049 125.225 121.223 -0.079 0.000 2.290 160 L HA 0.474 4.815 4.340 0.001 0.000 0.284 160 L C -0.370 176.229 176.870 -0.451 0.000 1.078 160 L CA 0.621 55.111 54.840 -0.583 0.000 0.815 160 L CB 0.440 42.185 42.059 -0.524 0.000 1.162 160 L HN 0.585 nan 8.230 nan 0.000 0.435 161 E N 4.204 123.966 120.200 -0.730 0.000 2.238 161 E HA 0.407 4.758 4.350 0.001 0.000 0.267 161 E C -1.084 175.151 176.600 -0.608 0.000 0.887 161 E CA -0.589 55.435 56.400 -0.626 0.000 0.769 161 E CB 1.979 31.248 29.700 -0.717 0.000 1.187 161 E HN 0.607 nan 8.360 nan 0.000 0.416 162 E N 0.488 120.528 120.200 -0.266 0.000 2.212 162 E HA 0.554 4.905 4.350 0.001 0.000 0.270 162 E C -0.539 176.074 176.600 0.022 0.000 0.956 162 E CA -0.894 55.436 56.400 -0.117 0.000 0.825 162 E CB 1.772 31.427 29.700 -0.075 0.000 1.167 162 E HN 0.537 nan 8.360 nan 0.000 0.400 163 A N 2.472 125.338 122.820 0.076 0.000 2.520 163 A HA 0.151 4.471 4.320 0.001 0.000 0.235 163 A C -0.151 177.475 177.584 0.070 0.000 1.065 163 A CA 0.358 52.462 52.037 0.111 0.000 0.764 163 A CB -0.013 19.039 19.000 0.087 0.000 1.002 163 A HN 0.537 nan 8.150 nan 0.000 0.502 164 I N 1.982 122.597 120.570 0.076 0.000 2.378 164 I HA 0.399 4.570 4.170 0.001 0.000 0.291 164 I C 0.375 176.522 176.117 0.050 0.000 0.992 164 I CA -0.171 61.162 61.300 0.054 0.000 1.154 164 I CB 1.485 39.518 38.000 0.056 0.000 1.315 164 I HN 0.716 nan 8.210 nan 0.000 0.448 165 R N 3.515 124.041 120.500 0.043 0.000 2.807 165 R HA 0.743 5.084 4.340 0.001 0.000 0.276 165 R C -0.364 175.963 176.300 0.045 0.000 0.979 165 R CA -0.877 55.248 56.100 0.042 0.000 0.928 165 R CB 2.406 32.730 30.300 0.039 0.000 1.191 165 R HN 0.745 nan 8.270 nan 0.000 0.471 166 G N -0.460 108.370 108.800 0.050 0.000 2.568 166 G HA2 0.176 4.137 3.960 0.001 0.000 0.313 166 G HA3 0.176 4.137 3.960 0.001 0.000 0.313 166 G C -0.210 174.733 174.900 0.071 0.000 1.227 166 G CA -0.462 44.679 45.100 0.068 0.000 0.979 166 G HN 0.520 nan 8.290 nan 0.000 0.486 167 D N -0.881 119.594 120.400 0.125 0.000 2.162 167 D HA 0.055 4.696 4.640 0.001 0.000 0.203 167 D C -0.185 176.154 176.300 0.064 0.000 0.967 167 D CA 1.328 55.412 54.000 0.141 0.000 0.840 167 D CB 0.243 41.217 40.800 0.290 0.000 0.972 167 D HN 0.131 nan 8.370 nan 0.000 0.482 168 F N -0.501 119.469 119.950 0.033 0.000 2.613 168 F HA 0.554 5.082 4.527 0.001 0.000 0.314 168 F C -0.463 175.352 175.800 0.025 0.000 1.075 168 F CA -1.231 56.790 58.000 0.034 0.000 0.945 168 F CB 1.955 40.964 39.000 0.015 0.000 1.310 168 F HN -0.301 nan 8.300 nan 0.000 0.467 169 A N 2.352 125.286 122.820 0.190 0.000 2.393 169 A HA 0.850 5.171 4.320 0.001 0.000 0.306 169 A C -1.758 175.903 177.584 0.129 0.000 1.050 169 A CA -0.599 51.511 52.037 0.121 0.000 0.724 169 A CB 1.139 20.174 19.000 0.058 0.000 1.248 169 A HN 0.709 nan 8.150 nan 0.000 0.424 170 L N 3.068 124.352 121.223 0.101 0.000 2.295 170 L HA 0.526 4.867 4.340 0.001 0.000 0.281 170 L C -0.945 175.976 176.870 0.085 0.000 1.018 170 L CA -0.746 54.143 54.840 0.081 0.000 0.841 170 L CB 1.407 43.496 42.059 0.049 0.000 1.218 170 L HN 0.428 nan 8.230 nan 0.000 0.424 171 V N 2.803 122.777 119.914 0.101 0.000 2.495 171 V HA 0.426 4.547 4.120 0.001 0.000 0.298 171 V C -0.080 176.117 176.094 0.172 0.000 1.031 171 V CA -0.798 61.589 62.300 0.145 0.000 0.871 171 V CB 2.203 34.122 31.823 0.160 0.000 0.988 171 V HN 0.558 nan 8.190 nan 0.000 0.432 172 K N 3.710 124.239 120.400 0.214 0.000 2.159 172 K HA 0.870 5.191 4.320 0.001 0.000 0.266 172 K C -0.544 176.232 176.600 0.294 0.000 0.975 172 K CA 0.025 56.446 56.287 0.222 0.000 0.865 172 K CB 1.561 34.182 32.500 0.202 0.000 1.087 172 K HN 0.910 nan 8.250 nan 0.000 0.446 173 A N 3.079 125.999 122.820 0.167 0.000 2.564 173 A HA 0.502 4.823 4.320 0.001 0.000 0.288 173 A C -0.700 176.925 177.584 0.068 0.000 1.164 173 A CA -0.750 51.299 52.037 0.020 0.000 0.712 173 A CB 0.152 18.949 19.000 -0.338 0.000 1.303 173 A HN 0.880 nan 8.150 nan 0.000 0.418 174 W N 0.732 121.909 121.300 -0.206 0.000 2.587 174 W HA 0.328 4.989 4.660 0.001 0.000 0.307 174 W C 0.059 176.522 176.519 -0.093 0.000 1.138 174 W CA 1.149 58.410 57.345 -0.140 0.000 1.450 174 W CB -0.067 29.331 29.460 -0.104 0.000 1.149 174 W HN 0.549 nan 8.180 nan 0.000 0.512 175 K N -0.334 120.000 120.400 -0.110 0.000 2.385 175 K HA 0.642 4.963 4.320 0.001 0.000 0.248 175 K C -1.166 175.461 176.600 0.044 0.000 0.955 175 K CA -0.751 55.453 56.287 -0.140 0.000 0.816 175 K CB 2.253 34.572 32.500 -0.301 0.000 1.250 175 K HN -0.126 nan 8.250 nan 0.000 0.434 176 A N 1.581 124.465 122.820 0.107 0.000 2.401 176 A HA 0.492 4.813 4.320 0.001 0.000 0.310 176 A C -1.189 176.481 177.584 0.144 0.000 1.075 176 A CA -0.784 51.367 52.037 0.190 0.000 0.746 176 A CB 0.982 20.068 19.000 0.143 0.000 1.277 176 A HN 0.817 nan 8.150 nan 0.000 0.425 177 D N 0.378 120.873 120.400 0.159 0.000 2.466 177 D HA 0.187 4.828 4.640 0.001 0.000 0.262 177 D C 0.539 176.883 176.300 0.073 0.000 1.177 177 D CA -0.406 53.523 54.000 -0.119 0.000 1.035 177 D CB 0.417 41.012 40.800 -0.342 0.000 1.105 177 D HN 0.329 nan 8.370 nan 0.000 0.551 178 Q N -0.824 118.941 119.800 -0.059 0.000 2.500 178 Q HA 0.022 4.363 4.340 0.001 0.000 0.213 178 Q C 1.319 177.309 176.000 -0.016 0.000 0.974 178 Q CA 0.945 56.663 55.803 -0.143 0.000 0.918 178 Q CB 0.003 28.599 28.738 -0.236 0.000 0.980 178 Q HN 0.657 nan 8.270 nan 0.000 0.505 179 A N -0.486 122.409 122.820 0.125 0.000 2.195 179 A HA 0.374 4.695 4.320 0.001 0.000 0.210 179 A C 1.498 179.264 177.584 0.304 0.000 1.165 179 A CA 0.923 53.065 52.037 0.175 0.000 0.806 179 A CB 0.262 19.320 19.000 0.097 0.000 0.847 179 A HN 0.380 nan 8.150 nan 0.000 0.482 180 G N -0.579 108.449 108.800 0.380 0.000 2.163 180 G HA2 -0.216 3.744 3.960 0.001 0.000 0.213 180 G HA3 -0.216 3.744 3.960 0.001 0.000 0.213 180 G C -0.120 174.863 174.900 0.139 0.000 0.991 180 G CA 0.002 45.233 45.100 0.218 0.000 0.653 180 G HN 0.577 nan 8.290 nan 0.000 0.518 181 N N -0.582 118.231 118.700 0.189 0.000 2.508 181 N HA 0.535 5.276 4.740 0.001 0.000 0.264 181 N C -0.216 175.379 175.510 0.141 0.000 1.216 181 N CA 0.140 53.284 53.050 0.156 0.000 0.943 181 N CB 1.866 40.494 38.487 0.235 0.000 1.113 181 N HN 0.139 nan 8.380 nan 0.000 0.447 182 V N 0.202 120.062 119.914 -0.090 0.000 3.007 182 V HA 0.607 4.728 4.120 0.001 0.000 0.311 182 V C -0.211 175.509 176.094 -0.624 0.000 1.120 182 V CA -0.593 61.540 62.300 -0.277 0.000 0.980 182 V CB 2.219 33.889 31.823 -0.255 0.000 1.033 182 V HN 0.923 nan 8.190 nan 0.000 0.429 183 T N 0.108 114.214 114.554 -0.747 0.000 2.901 183 T HA 0.832 5.183 4.350 0.001 0.000 0.293 183 T C -1.154 173.264 174.700 -0.470 0.000 1.084 183 T CA -0.564 61.102 62.100 -0.724 0.000 1.008 183 T CB 1.881 70.202 68.868 -0.911 0.000 1.170 183 T HN 0.193 nan 8.240 nan 0.000 0.509 184 F N -0.182 120.084 119.950 0.527 0.000 2.563 184 F HA 0.684 5.212 4.527 0.001 0.000 0.316 184 F C 0.461 176.423 175.800 0.270 0.000 1.076 184 F CA -1.205 56.992 58.000 0.328 0.000 0.921 184 F CB 2.224 41.306 39.000 0.135 0.000 1.209 184 F HN 0.530 nan 8.300 nan 0.000 0.462 185 R N 2.758 123.310 120.500 0.086 0.000 2.294 185 R HA 0.412 4.753 4.340 0.001 0.000 0.319 185 R C 0.080 176.049 176.300 -0.552 0.000 0.984 185 R CA -0.243 55.566 56.100 -0.485 0.000 0.861 185 R CB 0.667 30.261 30.300 -1.176 0.000 1.104 185 R HN 0.796 nan 8.270 nan 0.000 0.451 186 K N 0.573 120.478 120.400 -0.824 0.000 1.931 186 K HA -0.308 4.012 4.320 0.001 0.000 0.126 186 K C 0.693 176.563 176.600 -1.217 0.000 1.372 186 K CA 2.007 57.316 56.287 -1.629 0.000 0.483 186 K CB -1.327 30.569 32.500 -1.007 0.000 0.562 186 K HN 0.760 nan 8.250 nan 0.000 0.923 187 S N 0.324 115.578 115.700 -0.743 0.000 2.631 187 S HA 0.275 4.745 4.470 0.001 0.000 0.217 187 S C 1.358 175.826 174.600 -0.219 0.000 0.958 187 S CA 0.489 58.481 58.200 -0.347 0.000 0.920 187 S CB 0.568 63.663 63.200 -0.177 0.000 0.776 187 S HN 0.586 nan 8.310 nan 0.000 0.517 188 A N 1.651 124.346 122.820 -0.208 0.000 2.206 188 A HA 0.188 4.509 4.320 0.001 0.000 0.211 188 A C 2.138 179.707 177.584 -0.026 0.000 1.158 188 A CA 0.451 52.450 52.037 -0.064 0.000 0.761 188 A CB -0.509 18.456 19.000 -0.058 0.000 0.801 188 A HN 0.578 nan 8.150 nan 0.000 0.473 189 R N 0.893 121.317 120.500 -0.127 0.000 2.064 189 R HA -0.214 4.126 4.340 0.001 0.000 0.228 189 R C 1.715 177.813 176.300 -0.336 0.000 1.144 189 R CA 1.926 57.843 56.100 -0.305 0.000 0.932 189 R CB -0.522 29.579 30.300 -0.332 0.000 0.833 189 R HN 0.702 nan 8.270 nan 0.000 0.429 190 N N -0.744 117.804 118.700 -0.252 0.000 1.061 190 N HA -0.356 4.385 4.740 0.001 0.000 0.140 190 N C 0.930 176.277 175.510 -0.272 0.000 0.477 190 N CA 2.647 55.576 53.050 -0.202 0.000 0.925 190 N CB -1.517 37.008 38.487 0.063 0.000 1.473 190 N HN 0.245 nan 8.380 nan 0.000 0.510 191 F N 0.177 120.097 119.950 -0.049 0.000 2.710 191 F HA 0.216 4.744 4.527 0.001 0.000 0.298 191 F C 2.169 177.899 175.800 -0.117 0.000 1.137 191 F CA 0.249 58.217 58.000 -0.054 0.000 1.444 191 F CB -0.313 38.696 39.000 0.015 0.000 1.111 191 F HN 0.267 nan 8.300 nan 0.000 0.580 192 N N 0.710 119.393 118.700 -0.027 0.000 2.104 192 N HA -0.213 4.528 4.740 0.001 0.000 0.190 192 N C 2.105 177.478 175.510 -0.229 0.000 1.024 192 N CA 1.305 54.308 53.050 -0.077 0.000 0.853 192 N CB -0.554 37.924 38.487 -0.015 0.000 1.008 192 N HN 0.352 nan 8.380 nan 0.000 0.424 193 L N 1.957 122.825 121.223 -0.592 0.000 1.994 193 L HA -0.052 4.288 4.340 0.001 0.000 0.208 193 L C -0.784 175.943 176.870 -0.239 0.000 1.071 193 L CA 1.535 56.081 54.840 -0.490 0.000 0.745 193 L CB -1.149 40.539 42.059 -0.618 0.000 0.892 193 L HN 0.101 nan 8.230 nan 0.000 0.431 194 P HA -0.154 nan 4.420 nan 0.000 0.222 194 P C 1.749 178.987 177.300 -0.104 0.000 1.153 194 P CA 1.587 64.589 63.100 -0.162 0.000 0.798 194 P CB -0.078 31.542 31.700 -0.133 0.000 0.796 195 M N -0.916 118.665 119.600 -0.032 0.000 2.279 195 M HA -0.101 4.379 4.480 0.001 0.000 0.264 195 M C 2.007 178.289 176.300 -0.029 0.000 1.062 195 M CA 1.257 56.563 55.300 0.010 0.000 1.099 195 M CB -0.901 31.739 32.600 0.067 0.000 1.394 195 M HN -0.028 nan 8.290 nan 0.000 0.426 196 C N 0.691 119.956 119.300 -0.058 0.000 2.430 196 C HA -0.090 4.371 4.460 0.001 0.000 0.288 196 C C 2.165 177.051 174.990 -0.173 0.000 1.448 196 C CA 0.916 59.889 59.018 -0.075 0.000 1.784 196 C CB -1.149 26.576 27.740 -0.025 0.000 1.776 196 C HN 0.471 nan 8.230 nan 0.000 0.547 197 K N 0.112 120.356 120.400 -0.260 0.000 2.355 197 K HA 0.244 4.564 4.320 0.001 0.000 0.198 197 K C 1.157 177.714 176.600 -0.071 0.000 1.039 197 K CA 0.368 56.470 56.287 -0.309 0.000 1.075 197 K CB 0.345 32.501 32.500 -0.574 0.000 0.870 197 K HN 0.287 nan 8.250 nan 0.000 0.540 198 A N 1.114 123.908 122.820 -0.042 0.000 2.574 198 A HA 0.578 4.899 4.320 0.001 0.000 0.283 198 A C 0.034 177.635 177.584 0.029 0.000 1.270 198 A CA -0.282 51.759 52.037 0.006 0.000 0.945 198 A CB 0.337 19.340 19.000 0.004 0.000 1.127 198 A HN 0.164 nan 8.150 nan 0.000 0.522 199 A N -0.929 121.912 122.820 0.035 0.000 2.469 199 A HA 0.638 4.959 4.320 0.001 0.000 0.299 199 A C 0.602 178.209 177.584 0.038 0.000 1.098 199 A CA 0.075 52.129 52.037 0.029 0.000 0.737 199 A CB 0.817 19.830 19.000 0.021 0.000 1.312 199 A HN 0.245 nan 8.150 nan 0.000 0.414 200 E N 0.200 120.383 120.200 -0.028 0.000 2.110 200 E HA -0.078 4.272 4.350 0.001 0.000 0.193 200 E C -0.220 176.330 176.600 -0.084 0.000 0.988 200 E CA 1.546 57.910 56.400 -0.061 0.000 0.804 200 E CB 0.142 29.771 29.700 -0.117 0.000 0.745 200 E HN 0.612 nan 8.360 nan 0.000 0.458 201 T N 0.571 114.972 114.554 -0.256 0.000 2.847 201 T HA 0.255 4.606 4.350 0.001 0.000 0.291 201 T C -0.943 173.700 174.700 -0.096 0.000 0.998 201 T CA -0.542 61.440 62.100 -0.196 0.000 0.967 201 T CB 1.761 70.111 68.868 -0.864 0.000 0.954 201 T HN -0.136 nan 8.240 nan 0.000 0.441 202 T N 3.261 117.845 114.554 0.050 0.000 2.767 202 T HA 0.529 4.879 4.350 0.001 0.000 0.288 202 T C -0.067 174.616 174.700 -0.028 0.000 0.963 202 T CA -0.452 61.587 62.100 -0.102 0.000 1.019 202 T CB 0.806 69.482 68.868 -0.321 0.000 0.923 202 T HN 0.327 nan 8.240 nan 0.000 0.468 203 V N 4.429 124.366 119.914 0.038 0.000 2.409 203 V HA 0.514 4.635 4.120 0.001 0.000 0.291 203 V C -0.226 175.885 176.094 0.029 0.000 1.020 203 V CA -0.775 61.544 62.300 0.031 0.000 0.848 203 V CB 1.728 33.589 31.823 0.062 0.000 0.990 203 V HN 0.660 nan 8.190 nan 0.000 0.430 204 V N 4.913 124.833 119.914 0.009 0.000 2.495 204 V HA 0.511 4.631 4.120 0.001 0.000 0.298 204 V C -0.129 175.994 176.094 0.048 0.000 1.031 204 V CA -0.669 61.654 62.300 0.038 0.000 0.871 204 V CB 1.986 33.819 31.823 0.017 0.000 0.988 204 V HN 1.060 nan 8.190 nan 0.000 0.432 205 E N 4.239 124.498 120.200 0.098 0.000 2.179 205 E HA 0.769 5.120 4.350 0.001 0.000 0.275 205 E C -0.897 175.810 176.600 0.179 0.000 0.945 205 E CA -0.767 55.721 56.400 0.146 0.000 0.792 205 E CB 2.301 32.111 29.700 0.183 0.000 1.125 205 E HN 0.489 nan 8.360 nan 0.000 0.397 206 V N -0.268 119.760 119.914 0.191 0.000 3.074 206 V HA 0.356 4.477 4.120 0.001 0.000 0.314 206 V C 0.506 176.713 176.094 0.189 0.000 1.117 206 V CA -0.845 61.540 62.300 0.142 0.000 1.014 206 V CB 1.724 33.596 31.823 0.082 0.000 1.057 206 V HN 0.857 nan 8.190 nan 0.000 0.438 207 E N 0.402 120.626 120.200 0.040 0.000 2.216 207 E HA 0.149 4.500 4.350 0.001 0.000 0.192 207 E C -0.152 176.525 176.600 0.128 0.000 0.988 207 E CA 0.862 57.270 56.400 0.012 0.000 0.834 207 E CB 0.303 29.946 29.700 -0.094 0.000 0.772 207 E HN 0.833 nan 8.360 nan 0.000 0.479 208 E N 0.265 120.516 120.200 0.084 0.000 2.335 208 E HA 0.363 4.714 4.350 0.001 0.000 0.280 208 E C -1.145 175.468 176.600 0.021 0.000 0.918 208 E CA -0.339 56.089 56.400 0.046 0.000 0.765 208 E CB 2.332 32.025 29.700 -0.012 0.000 1.218 208 E HN -0.053 nan 8.360 nan 0.000 0.425 209 I N 2.802 123.391 120.570 0.031 0.000 2.336 209 I HA 0.347 4.518 4.170 0.001 0.000 0.292 209 I C 0.024 176.101 176.117 -0.067 0.000 0.991 209 I CA -0.933 60.383 61.300 0.026 0.000 1.227 209 I CB 1.308 39.362 38.000 0.089 0.000 1.366 209 I HN 0.275 nan 8.210 nan 0.000 0.466 210 V N 1.928 121.753 119.914 -0.148 0.000 3.019 210 V HA 0.568 4.689 4.120 0.001 0.000 0.317 210 V C -0.390 175.547 176.094 -0.262 0.000 1.094 210 V CA -0.973 61.183 62.300 -0.239 0.000 1.000 210 V CB 1.827 33.419 31.823 -0.384 0.000 1.060 210 V HN 0.473 nan 8.190 nan 0.000 0.443 211 D N 1.249 121.501 120.400 -0.246 0.000 2.399 211 D HA 0.337 4.978 4.640 0.001 0.000 0.241 211 D C 0.365 176.505 176.300 -0.266 0.000 1.133 211 D CA 0.305 54.175 54.000 -0.216 0.000 0.890 211 D CB 0.916 41.614 40.800 -0.169 0.000 1.201 211 D HN 0.585 nan 8.370 nan 0.000 0.432 212 I N 0.817 121.270 120.570 -0.196 0.000 2.710 212 I HA 0.085 4.255 4.170 0.001 0.000 0.286 212 I C 1.690 177.708 176.117 -0.165 0.000 1.181 212 I CA 0.826 62.025 61.300 -0.170 0.000 1.430 212 I CB 0.367 38.309 38.000 -0.098 0.000 1.367 212 I HN 0.708 nan 8.210 nan 0.000 0.577 213 G N 3.439 112.141 108.800 -0.163 0.000 2.195 213 G HA2 -0.278 3.683 3.960 0.001 0.000 0.224 213 G HA3 -0.278 3.683 3.960 0.001 0.000 0.224 213 G C 0.974 175.774 174.900 -0.166 0.000 0.990 213 G CA 0.365 45.394 45.100 -0.118 0.000 0.639 213 G HN 0.562 nan 8.290 nan 0.000 0.514 214 S N -0.160 115.343 115.700 -0.328 0.000 2.423 214 S HA 0.292 4.763 4.470 0.001 0.000 0.231 214 S C 0.658 175.095 174.600 -0.271 0.000 1.014 214 S CA 0.739 58.712 58.200 -0.378 0.000 0.965 214 S CB -0.114 62.711 63.200 -0.625 0.000 0.785 214 S HN 0.397 nan 8.310 nan 0.000 0.495 215 F N 1.107 120.995 119.950 -0.103 0.000 2.425 215 F HA 0.660 5.188 4.527 0.001 0.000 0.331 215 F C 0.501 176.261 175.800 -0.066 0.000 1.085 215 F CA -2.331 55.604 58.000 -0.108 0.000 1.028 215 F CB 0.388 39.309 39.000 -0.131 0.000 1.177 215 F HN -0.113 nan 8.300 nan 0.000 0.487 216 A N 3.683 126.601 122.820 0.163 0.000 2.440 216 A HA 0.396 4.717 4.320 0.001 0.000 0.251 216 A C -1.742 175.894 177.584 0.087 0.000 1.089 216 A CA -1.115 50.976 52.037 0.089 0.000 0.779 216 A CB -0.014 19.025 19.000 0.065 0.000 1.022 216 A HN 0.598 nan 8.150 nan 0.000 0.492 217 P HA -0.165 nan 4.420 nan 0.000 0.217 217 P C 0.806 178.131 177.300 0.042 0.000 1.148 217 P CA 1.459 64.593 63.100 0.058 0.000 0.828 217 P CB 0.240 31.965 31.700 0.043 0.000 0.783 218 E N -0.911 119.313 120.200 0.041 0.000 2.268 218 E HA -0.103 4.248 4.350 0.001 0.000 0.195 218 E C 0.649 177.279 176.600 0.049 0.000 0.995 218 E CA 0.892 57.317 56.400 0.042 0.000 0.836 218 E CB -0.455 29.269 29.700 0.041 0.000 0.763 218 E HN 0.301 nan 8.360 nan 0.000 0.491 219 D N -0.247 120.171 120.400 0.031 0.000 2.559 219 D HA 0.142 4.783 4.640 0.001 0.000 0.234 219 D C -0.279 175.909 176.300 -0.187 0.000 1.226 219 D CA -0.054 53.954 54.000 0.013 0.000 0.830 219 D CB 0.322 41.144 40.800 0.037 0.000 1.028 219 D HN 0.161 nan 8.370 nan 0.000 0.492 220 I N 0.875 121.353 120.570 -0.154 0.000 2.337 220 I HA 0.069 4.239 4.170 0.001 0.000 0.291 220 I C 1.457 177.514 176.117 -0.100 0.000 1.046 220 I CA -0.243 60.868 61.300 -0.314 0.000 1.324 220 I CB 0.866 38.787 38.000 -0.131 0.000 1.409 220 I HN 0.003 nan 8.210 nan 0.000 0.494 221 H N 6.011 125.024 119.070 -0.095 0.000 2.403 221 H HA 0.191 4.748 4.556 0.001 0.000 0.298 221 H C 0.091 175.521 175.328 0.171 0.000 1.059 221 H CA 0.428 56.532 56.048 0.094 0.000 1.363 221 H CB 0.573 30.500 29.762 0.274 0.000 1.410 221 H HN 0.321 nan 8.280 nan 0.000 0.528 222 I N 1.742 122.448 120.570 0.228 0.000 2.448 222 I HA 0.231 4.402 4.170 0.001 0.000 0.281 222 I C -2.587 173.639 176.117 0.181 0.000 1.027 222 I CA -2.567 58.895 61.300 0.270 0.000 1.111 222 I CB 1.908 40.103 38.000 0.325 0.000 1.236 222 I HN -0.180 nan 8.210 nan 0.000 0.452 223 P HA 0.094 nan 4.420 nan 0.000 0.269 223 P C 0.751 178.106 177.300 0.092 0.000 1.215 223 P CA -0.266 62.896 63.100 0.103 0.000 0.780 223 P CB 0.579 32.307 31.700 0.047 0.000 0.898 224 K N 3.040 123.474 120.400 0.058 0.000 2.281 224 K HA -0.159 4.161 4.320 0.001 0.000 0.203 224 K C 1.652 178.267 176.600 0.025 0.000 1.046 224 K CA 1.477 57.800 56.287 0.059 0.000 0.938 224 K CB -0.889 31.657 32.500 0.077 0.000 0.737 224 K HN 0.356 nan 8.250 nan 0.000 0.458 225 I N 0.637 121.165 120.570 -0.070 0.000 2.423 225 I HA -0.269 3.902 4.170 0.001 0.000 0.254 225 I C 1.094 177.156 176.117 -0.091 0.000 1.151 225 I CA 1.235 62.455 61.300 -0.134 0.000 1.421 225 I CB 0.060 37.873 38.000 -0.311 0.000 1.079 225 I HN 0.114 nan 8.210 nan 0.000 0.431 226 Y N -0.317 119.997 120.300 0.022 0.000 2.482 226 Y HA 0.213 4.763 4.550 0.001 0.000 0.270 226 Y C 0.617 176.353 175.900 -0.273 0.000 1.152 226 Y CA -0.129 57.930 58.100 -0.070 0.000 1.292 226 Y CB -0.006 38.435 38.460 -0.033 0.000 1.070 226 Y HN -0.173 nan 8.280 nan 0.000 0.528 227 V N 1.797 121.704 119.914 -0.011 0.000 2.294 227 V HA 0.117 4.238 4.120 0.001 0.000 0.272 227 V C 0.453 176.525 176.094 -0.036 0.000 1.027 227 V CA -0.576 61.670 62.300 -0.090 0.000 0.823 227 V CB 0.384 32.194 31.823 -0.021 0.000 1.030 227 V HN 0.336 nan 8.190 nan 0.000 0.457 228 H N 3.470 122.554 119.070 0.025 0.000 2.384 228 H HA 0.256 4.812 4.556 0.001 0.000 0.300 228 H C 0.791 176.138 175.328 0.032 0.000 1.057 228 H CA 0.668 56.726 56.048 0.017 0.000 1.370 228 H CB 0.386 30.149 29.762 0.003 0.000 1.417 228 H HN 0.432 nan 8.280 nan 0.000 0.527 229 R N 0.638 121.214 120.500 0.126 0.000 2.621 229 R HA 0.451 4.791 4.340 0.001 0.000 0.292 229 R C -1.185 175.109 176.300 -0.010 0.000 0.969 229 R CA -0.729 55.453 56.100 0.137 0.000 0.887 229 R CB 2.841 33.176 30.300 0.057 0.000 1.180 229 R HN -0.030 nan 8.270 nan 0.000 0.450 230 L N 3.426 124.623 121.223 -0.043 0.000 2.410 230 L HA 0.614 4.955 4.340 0.001 0.000 0.270 230 L C -1.515 175.365 176.870 0.017 0.000 0.983 230 L CA -0.744 54.002 54.840 -0.157 0.000 0.822 230 L CB 2.072 43.784 42.059 -0.578 0.000 1.285 230 L HN 0.502 nan 8.230 nan 0.000 0.409 231 V N 5.020 124.972 119.914 0.063 0.000 2.925 231 V HA 0.482 4.603 4.120 0.001 0.000 0.311 231 V C -0.668 175.514 176.094 0.147 0.000 1.104 231 V CA -0.866 61.517 62.300 0.139 0.000 0.954 231 V CB 2.496 34.382 31.823 0.106 0.000 1.022 231 V HN 0.903 nan 8.190 nan 0.000 0.427 232 K N 4.109 124.612 120.400 0.172 0.000 2.258 232 K HA 0.571 4.892 4.320 0.001 0.000 0.284 232 K C 0.286 176.992 176.600 0.177 0.000 1.051 232 K CA 0.062 56.463 56.287 0.189 0.000 0.923 232 K CB 0.897 33.501 32.500 0.173 0.000 1.046 232 K HN 0.977 nan 8.250 nan 0.000 0.474 233 G N 2.815 111.772 108.800 0.262 0.000 2.398 233 G HA2 -0.059 3.901 3.960 0.001 0.000 0.246 233 G HA3 -0.059 3.901 3.960 0.001 0.000 0.246 233 G C 0.423 175.284 174.900 -0.066 0.000 1.289 233 G CA -0.262 44.861 45.100 0.040 0.000 0.869 233 G HN 0.859 nan 8.290 nan 0.000 0.543 234 E N 0.257 120.377 120.200 -0.134 0.000 2.107 234 E HA 0.007 4.358 4.350 0.001 0.000 0.191 234 E C 0.869 177.390 176.600 -0.133 0.000 0.982 234 E CA 0.949 57.300 56.400 -0.081 0.000 0.809 234 E CB 0.152 29.820 29.700 -0.054 0.000 0.756 234 E HN 0.407 nan 8.360 nan 0.000 0.459 235 K N -0.604 119.609 120.400 -0.312 0.000 2.513 235 K HA 0.275 4.596 4.320 0.001 0.000 0.251 235 K C -2.103 174.228 176.600 -0.449 0.000 0.939 235 K CA -0.550 55.600 56.287 -0.227 0.000 0.793 235 K CB 0.631 33.070 32.500 -0.101 0.000 1.241 235 K HN -0.130 nan 8.250 nan 0.000 0.431 236 Y N 2.514 122.870 120.300 0.093 0.000 2.326 236 Y HA 0.276 4.827 4.550 0.001 0.000 0.331 236 Y C 0.610 176.572 175.900 0.104 0.000 0.962 236 Y CA -0.604 57.562 58.100 0.111 0.000 1.167 236 Y CB 2.253 40.772 38.460 0.097 0.000 1.148 236 Y HN 0.723 nan 8.280 nan 0.000 0.463 237 E N 2.065 122.423 120.200 0.264 0.000 2.358 237 E HA -0.066 4.285 4.350 0.001 0.000 0.195 237 E C 0.045 176.699 176.600 0.090 0.000 1.010 237 E CA 0.275 56.759 56.400 0.139 0.000 0.856 237 E CB 0.066 29.807 29.700 0.069 0.000 0.795 237 E HN 0.588 nan 8.360 nan 0.000 0.504 238 K N 1.153 121.642 120.400 0.148 0.000 3.077 238 K HA -0.220 4.101 4.320 0.001 0.000 0.264 238 K C -0.265 176.349 176.600 0.023 0.000 1.008 238 K CA 0.247 56.584 56.287 0.084 0.000 0.740 238 K CB -1.271 31.261 32.500 0.054 0.000 1.273 238 K HN 0.150 nan 8.250 nan 0.000 0.477 239 R N 0.860 121.358 120.500 -0.004 0.000 2.537 239 R HA 0.140 4.481 4.340 0.001 0.000 0.280 239 R C 0.403 176.682 176.300 -0.036 0.000 1.058 239 R CA 0.037 56.068 56.100 -0.116 0.000 1.057 239 R CB 0.442 30.517 30.300 -0.375 0.000 0.973 239 R HN 0.121 nan 8.270 nan 0.000 0.438 240 I N 3.257 123.797 120.570 -0.049 0.000 2.339 240 I HA 0.046 4.217 4.170 0.001 0.000 0.290 240 I C 1.294 177.396 176.117 -0.024 0.000 0.994 240 I CA 0.045 61.335 61.300 -0.017 0.000 1.191 240 I CB 1.460 39.448 38.000 -0.020 0.000 1.343 240 I HN 0.795 nan 8.210 nan 0.000 0.458 241 E N 6.222 126.425 120.200 0.004 0.000 2.072 241 E HA -0.031 4.319 4.350 0.001 0.000 0.190 241 E C 0.350 176.947 176.600 -0.004 0.000 0.982 241 E CA 1.082 57.485 56.400 0.005 0.000 0.803 241 E CB 0.605 30.324 29.700 0.033 0.000 0.755 241 E HN 0.568 nan 8.360 nan 0.000 0.453 262 V N 4.560 124.396 119.914 -0.130 0.000 2.233 262 V HA -0.202 3.919 4.120 0.001 0.000 0.247 262 V C 2.480 178.491 176.094 -0.137 0.000 1.050 262 V CA 1.937 64.141 62.300 -0.160 0.000 1.010 262 V CB -0.337 31.426 31.823 -0.101 0.000 0.637 262 V HN 0.642 nan 8.190 nan 0.000 0.444 263 R N -0.509 119.944 120.500 -0.079 0.000 2.096 263 R HA -0.194 4.147 4.340 0.001 0.000 0.235 263 R C 2.404 178.666 176.300 -0.063 0.000 1.127 263 R CA 1.661 57.730 56.100 -0.053 0.000 0.968 263 R CB -0.339 29.952 30.300 -0.015 0.000 0.861 263 R HN 0.634 nan 8.270 nan 0.000 0.440 264 E N 0.949 121.109 120.200 -0.068 0.000 2.110 264 E HA -0.236 4.114 4.350 0.001 0.000 0.193 264 E C 2.111 178.624 176.600 -0.145 0.000 0.988 264 E CA 0.999 57.356 56.400 -0.071 0.000 0.804 264 E CB 0.058 29.731 29.700 -0.044 0.000 0.745 264 E HN 0.188 nan 8.360 nan 0.000 0.458 265 R N 0.464 120.843 120.500 -0.202 0.000 2.081 265 R HA -0.131 4.209 4.340 0.001 0.000 0.235 265 R C 2.405 178.579 176.300 -0.211 0.000 1.131 265 R CA 1.492 57.426 56.100 -0.277 0.000 0.960 265 R CB -0.236 29.753 30.300 -0.518 0.000 0.856 265 R HN 0.230 nan 8.270 nan 0.000 0.436 266 I N 0.562 121.029 120.570 -0.172 0.000 2.179 266 I HA -0.294 3.876 4.170 0.001 0.000 0.242 266 I C 2.281 178.341 176.117 -0.095 0.000 1.088 266 I CA 1.277 62.508 61.300 -0.115 0.000 1.357 266 I CB -0.259 37.694 38.000 -0.078 0.000 1.051 266 I HN 0.215 nan 8.210 nan 0.000 0.409 267 I N 0.798 121.317 120.570 -0.085 0.000 2.163 267 I HA -0.315 3.856 4.170 0.001 0.000 0.243 267 I C 2.406 178.422 176.117 -0.168 0.000 1.085 267 I CA 1.637 62.902 61.300 -0.058 0.000 1.347 267 I CB -0.393 37.613 38.000 0.009 0.000 1.044 267 I HN 0.157 nan 8.210 nan 0.000 0.408 268 K N -0.005 120.218 120.400 -0.296 0.000 2.283 268 K HA -0.173 4.148 4.320 0.001 0.000 0.202 268 K C 2.170 178.653 176.600 -0.195 0.000 1.048 268 K CA 0.726 56.778 56.287 -0.392 0.000 0.948 268 K CB -0.022 32.239 32.500 -0.398 0.000 0.742 268 K HN 0.071 nan 8.250 nan 0.000 0.458 269 R N 1.051 121.472 120.500 -0.132 0.000 2.112 269 R HA 0.100 4.441 4.340 0.001 0.000 0.216 269 R C 1.854 178.101 176.300 -0.089 0.000 1.080 269 R CA 1.351 57.400 56.100 -0.084 0.000 0.996 269 R CB -0.586 29.675 30.300 -0.064 0.000 0.902 269 R HN 0.076 nan 8.270 nan 0.000 0.449 270 A N 0.736 123.501 122.820 -0.093 0.000 1.978 270 A HA -0.064 4.257 4.320 0.001 0.000 0.220 270 A C 2.310 179.795 177.584 -0.165 0.000 1.170 270 A CA 1.770 53.733 52.037 -0.123 0.000 0.636 270 A CB -1.028 17.927 19.000 -0.075 0.000 0.810 270 A HN 0.465 nan 8.150 nan 0.000 0.448 271 A N -0.498 122.313 122.820 -0.015 0.000 2.070 271 A HA 0.015 4.336 4.320 0.001 0.000 0.220 271 A C 1.893 179.555 177.584 0.129 0.000 1.159 271 A CA 1.301 53.455 52.037 0.196 0.000 0.656 271 A CB -0.505 18.615 19.000 0.201 0.000 0.800 271 A HN 0.495 nan 8.150 nan 0.000 0.453 272 L N -0.497 120.717 121.223 -0.016 0.000 2.599 272 L HA 0.016 4.357 4.340 0.001 0.000 0.230 272 L C 1.682 178.504 176.870 -0.081 0.000 1.141 272 L CA 0.126 54.958 54.840 -0.013 0.000 0.877 272 L CB -0.169 41.877 42.059 -0.022 0.000 1.009 272 L HN 0.279 nan 8.230 nan 0.000 0.447 273 E N 0.128 120.182 120.200 -0.243 0.000 2.371 273 E HA 0.025 4.376 4.350 0.001 0.000 0.194 273 E C 0.240 176.659 176.600 -0.300 0.000 1.012 273 E CA 0.280 56.500 56.400 -0.299 0.000 0.860 273 E CB 0.097 29.544 29.700 -0.423 0.000 0.811 273 E HN 0.212 nan 8.360 nan 0.000 0.502 274 F N 1.654 121.599 119.950 -0.008 0.000 2.471 274 F HA 0.169 4.696 4.527 0.000 0.000 0.353 274 F C 0.992 176.773 175.800 -0.031 0.000 1.113 274 F CA 0.076 58.062 58.000 -0.024 0.000 1.262 274 F CB 0.591 39.574 39.000 -0.028 0.000 1.146 274 F HN -0.261 nan 8.300 nan 0.000 0.578 275 E N 0.104 120.401 120.200 0.163 0.000 2.369 275 E HA 0.204 4.555 4.350 0.001 0.000 0.270 275 E C -1.571 175.035 176.600 0.011 0.000 0.909 275 E CA -1.160 55.278 56.400 0.063 0.000 0.775 275 E CB 1.861 31.582 29.700 0.035 0.000 1.270 275 E HN 0.458 nan 8.360 nan 0.000 0.445 276 D N -0.182 120.207 120.400 -0.019 0.000 2.455 276 D HA 0.221 4.862 4.640 0.001 0.000 0.241 276 D C 0.956 177.198 176.300 -0.097 0.000 1.138 276 D CA 1.903 55.861 54.000 -0.070 0.000 0.877 276 D CB 0.562 41.333 40.800 -0.048 0.000 1.187 276 D HN 0.602 nan 8.370 nan 0.000 0.451 277 G N 3.100 111.785 108.800 -0.192 0.000 2.184 277 G HA2 -0.325 3.636 3.960 0.001 0.000 0.264 277 G HA3 -0.325 3.636 3.960 0.001 0.000 0.264 277 G C 0.552 175.272 174.900 -0.299 0.000 0.975 277 G CA 0.515 45.485 45.100 -0.217 0.000 0.642 277 G HN 0.650 nan 8.290 nan 0.000 0.536 278 M N 0.344 119.801 119.600 -0.237 0.000 2.243 278 M HA 0.592 5.073 4.480 0.001 0.000 0.341 278 M C -0.342 175.769 176.300 -0.316 0.000 1.130 278 M CA -0.349 54.862 55.300 -0.148 0.000 1.162 278 M CB 0.386 32.992 32.600 0.009 0.000 1.497 278 M HN 0.102 nan 8.290 nan 0.000 0.456 279 Y N 3.212 123.575 120.300 0.105 0.000 2.328 279 Y HA 0.654 5.206 4.550 0.004 0.000 0.337 279 Y C 0.112 176.073 175.900 0.102 0.000 1.008 279 Y CA -0.442 57.729 58.100 0.119 0.000 1.129 279 Y CB 1.397 39.915 38.460 0.096 0.000 1.185 279 Y HN 0.780 nan 8.280 nan 0.000 0.476 280 A N 3.233 126.180 122.820 0.211 0.000 2.498 280 A HA 0.583 4.904 4.320 0.001 0.000 0.298 280 A C -1.344 176.334 177.584 0.156 0.000 1.075 280 A CA -0.896 51.254 52.037 0.189 0.000 0.714 280 A CB 1.612 20.772 19.000 0.265 0.000 1.299 280 A HN 0.666 nan 8.150 nan 0.000 0.407 281 N N 1.842 120.617 118.700 0.126 0.000 2.442 281 N HA 0.492 5.232 4.740 0.001 0.000 0.274 281 N C -1.711 173.859 175.510 0.100 0.000 1.002 281 N CA -0.229 52.876 53.050 0.092 0.000 0.910 281 N CB 0.950 39.474 38.487 0.061 0.000 1.244 281 N HN 0.597 nan 8.380 nan 0.000 0.492 282 L N 2.317 123.601 121.223 0.102 0.000 2.296 282 L HA 0.518 4.858 4.340 0.001 0.000 0.286 282 L C 1.363 178.286 176.870 0.087 0.000 1.023 282 L CA -1.063 53.844 54.840 0.112 0.000 0.812 282 L CB 1.639 43.788 42.059 0.150 0.000 1.223 282 L HN 0.473 nan 8.230 nan 0.000 0.421 283 G N 2.889 111.739 108.800 0.083 0.000 2.606 283 G HA2 0.364 4.325 3.960 0.001 0.000 0.252 283 G HA3 0.364 4.325 3.960 0.001 0.000 0.252 283 G C 0.173 175.121 174.900 0.080 0.000 1.206 283 G CA -0.722 44.424 45.100 0.077 0.000 0.861 283 G HN 0.730 nan 8.290 nan 0.000 0.561 284 I N -0.531 120.084 120.570 0.075 0.000 2.815 284 I HA 0.465 4.636 4.170 0.001 0.000 0.291 284 I C 0.924 177.089 176.117 0.080 0.000 1.209 284 I CA 0.511 61.859 61.300 0.081 0.000 1.431 284 I CB 0.108 38.146 38.000 0.064 0.000 1.351 284 I HN 1.228 nan 8.210 nan 0.000 0.585 285 G N 4.449 113.303 108.800 0.090 0.000 2.516 285 G HA2 -0.243 3.718 3.960 0.001 0.000 0.220 285 G HA3 -0.243 3.718 3.960 0.001 0.000 0.220 285 G C 0.291 175.244 174.900 0.088 0.000 1.165 285 G CA -0.033 45.116 45.100 0.081 0.000 1.013 285 G HN 0.710 nan 8.290 nan 0.000 0.590 286 I N 2.501 123.115 120.570 0.074 0.000 2.163 286 I HA -0.118 4.052 4.170 0.001 0.000 0.243 286 I C 0.012 176.187 176.117 0.098 0.000 1.085 286 I CA 2.344 63.690 61.300 0.076 0.000 1.347 286 I CB -0.951 37.076 38.000 0.045 0.000 1.044 286 I HN 0.334 nan 8.210 nan 0.000 0.408 287 P HA -0.183 nan 4.420 nan 0.000 0.215 287 P C 1.805 179.209 177.300 0.173 0.000 1.153 287 P CA 1.166 64.337 63.100 0.118 0.000 0.853 287 P CB 0.015 31.770 31.700 0.092 0.000 0.788 288 L N -1.021 120.280 121.223 0.131 0.000 2.093 288 L HA -0.076 4.264 4.340 0.001 0.000 0.208 288 L C 2.134 179.066 176.870 0.102 0.000 1.085 288 L CA 1.643 56.545 54.840 0.104 0.000 0.755 288 L CB -1.403 40.705 42.059 0.082 0.000 0.904 288 L HN -0.132 nan 8.230 nan 0.000 0.435 289 L N -0.569 120.733 121.223 0.131 0.000 2.131 289 L HA -0.170 4.171 4.340 0.001 0.000 0.210 289 L C 2.622 179.639 176.870 0.245 0.000 1.092 289 L CA 1.083 56.014 54.840 0.153 0.000 0.759 289 L CB -0.871 41.289 42.059 0.168 0.000 0.903 289 L HN 0.367 nan 8.230 nan 0.000 0.435 290 A N 0.069 123.062 122.820 0.288 0.000 2.019 290 A HA -0.214 4.106 4.320 0.001 0.000 0.219 290 A C 2.494 180.353 177.584 0.457 0.000 1.164 290 A CA 1.796 54.092 52.037 0.431 0.000 0.644 290 A CB -0.624 18.587 19.000 0.352 0.000 0.805 290 A HN 0.540 nan 8.150 nan 0.000 0.449 291 S N 0.485 116.316 115.700 0.219 0.000 2.442 291 S HA -0.159 4.311 4.470 0.001 0.000 0.236 291 S C 1.467 175.966 174.600 -0.168 0.000 1.007 291 S CA 1.191 59.289 58.200 -0.170 0.000 0.965 291 S CB -0.624 62.435 63.200 -0.235 0.000 0.773 291 S HN 0.571 nan 8.310 nan 0.000 0.504 292 N N 1.151 119.787 118.700 -0.106 0.000 2.381 292 N HA 0.050 4.790 4.740 0.001 0.000 0.182 292 N C 0.482 175.740 175.510 -0.420 0.000 1.025 292 N CA 0.900 53.771 53.050 -0.299 0.000 0.888 292 N CB -0.505 37.742 38.487 -0.401 0.000 0.965 292 N HN 0.575 nan 8.380 nan 0.000 0.438 293 F N 0.536 120.472 119.950 -0.024 0.000 2.727 293 F HA 0.332 4.857 4.527 -0.003 0.000 0.302 293 F C 0.848 176.637 175.800 -0.018 0.000 1.097 293 F CA -0.452 57.548 58.000 0.000 0.000 1.330 293 F CB -0.012 39.017 39.000 0.049 0.000 1.084 293 F HN -0.176 nan 8.300 nan 0.000 0.578 294 I N 0.262 120.837 120.570 0.008 0.000 2.710 294 I HA -0.071 4.100 4.170 0.001 0.000 0.286 294 I C 1.062 177.147 176.117 -0.053 0.000 1.181 294 I CA -0.025 61.227 61.300 -0.078 0.000 1.430 294 I CB 0.588 38.392 38.000 -0.326 0.000 1.367 294 I HN -0.039 nan 8.210 nan 0.000 0.577 295 S N 7.304 122.992 115.700 -0.020 0.000 2.562 295 S HA 0.184 4.655 4.470 0.001 0.000 0.281 295 S C -1.419 173.147 174.600 -0.058 0.000 1.333 295 S CA -1.196 56.992 58.200 -0.020 0.000 1.052 295 S CB 0.900 64.100 63.200 -0.000 0.000 0.884 295 S HN 0.386 nan 8.310 nan 0.000 0.506 296 P HA -0.027 nan 4.420 nan 0.000 0.223 296 P C 0.254 177.520 177.300 -0.057 0.000 1.144 296 P CA 1.155 64.217 63.100 -0.062 0.000 0.783 296 P CB -0.167 31.504 31.700 -0.048 0.000 0.771 297 N N -1.619 117.054 118.700 -0.044 0.000 2.412 297 N HA 0.080 4.820 4.740 0.001 0.000 0.184 297 N C 0.674 176.153 175.510 -0.050 0.000 1.101 297 N CA -0.084 52.943 53.050 -0.039 0.000 0.881 297 N CB -0.017 38.457 38.487 -0.023 0.000 0.969 297 N HN 0.196 nan 8.380 nan 0.000 0.459 298 M N 1.089 120.648 119.600 -0.068 0.000 2.336 298 M HA 0.229 4.710 4.480 0.001 0.000 0.342 298 M C -1.144 175.067 176.300 -0.149 0.000 1.128 298 M CA -0.314 54.932 55.300 -0.088 0.000 1.016 298 M CB 1.427 33.987 32.600 -0.066 0.000 1.665 298 M HN -0.206 nan 8.290 nan 0.000 0.445 299 T N 4.290 118.732 114.554 -0.185 0.000 2.743 299 T HA 0.532 4.883 4.350 0.001 0.000 0.292 299 T C -0.815 173.607 174.700 -0.463 0.000 0.972 299 T CA -0.488 61.430 62.100 -0.302 0.000 0.967 299 T CB 0.656 69.356 68.868 -0.281 0.000 0.926 299 T HN 0.472 nan 8.240 nan 0.000 0.459 300 V N 4.975 124.587 119.914 -0.504 0.000 2.531 300 V HA 0.337 4.457 4.120 0.001 0.000 0.301 300 V C -0.575 175.196 176.094 -0.540 0.000 1.034 300 V CA -1.029 60.968 62.300 -0.506 0.000 0.865 300 V CB 1.524 33.112 31.823 -0.391 0.000 0.995 300 V HN 0.821 nan 8.190 nan 0.000 0.424 301 H N 5.318 124.231 119.070 -0.261 0.000 2.594 301 H HA 0.487 5.045 4.556 0.002 0.000 0.304 301 H C -0.461 174.841 175.328 -0.044 0.000 1.068 301 H CA -0.381 55.569 56.048 -0.164 0.000 1.308 301 H CB 1.450 31.086 29.762 -0.210 0.000 1.409 301 H HN 0.435 nan 8.280 nan 0.000 0.460 302 L N 3.042 124.306 121.223 0.068 0.000 2.276 302 L HA 0.221 4.561 4.340 0.001 0.000 0.286 302 L C 0.707 177.624 176.870 0.079 0.000 1.061 302 L CA -0.409 54.463 54.840 0.054 0.000 0.807 302 L CB 1.192 43.240 42.059 -0.018 0.000 1.177 302 L HN 0.397 nan 8.230 nan 0.000 0.429 303 Q N 2.234 122.093 119.800 0.098 0.000 2.245 303 Q HA 0.360 4.700 4.340 0.001 0.000 0.256 303 Q C -1.169 174.842 176.000 0.019 0.000 0.942 303 Q CA -0.134 55.722 55.803 0.088 0.000 0.896 303 Q CB 2.207 31.008 28.738 0.105 0.000 1.272 303 Q HN 0.598 nan 8.270 nan 0.000 0.442 304 S N 1.790 117.471 115.700 -0.032 0.000 2.502 304 S HA 0.166 4.637 4.470 0.001 0.000 0.304 304 S C 0.742 175.236 174.600 -0.177 0.000 1.097 304 S CA -0.581 57.559 58.200 -0.100 0.000 1.045 304 S CB 0.823 63.945 63.200 -0.131 0.000 1.019 304 S HN 0.667 nan 8.310 nan 0.000 0.481 305 E N 3.781 123.860 120.200 -0.202 0.000 2.347 305 E HA -0.137 4.213 4.350 0.001 0.000 0.196 305 E C 0.669 177.051 176.600 -0.363 0.000 1.008 305 E CA 0.691 56.885 56.400 -0.344 0.000 0.852 305 E CB -0.459 29.063 29.700 -0.297 0.000 0.783 305 E HN 0.742 nan 8.360 nan 0.000 0.505 306 N N 1.255 119.657 118.700 -0.495 0.000 2.521 306 N HA 0.005 4.745 4.740 0.001 0.000 0.188 306 N C 0.860 176.081 175.510 -0.482 0.000 1.146 306 N CA 0.881 53.507 53.050 -0.706 0.000 0.893 306 N CB 0.312 37.878 38.487 -1.534 0.000 0.975 306 N HN 0.306 nan 8.380 nan 0.000 0.451 307 G N 0.135 108.652 108.800 -0.472 0.000 2.245 307 G HA2 -0.071 3.890 3.960 0.001 0.000 0.130 307 G HA3 -0.071 3.890 3.960 0.001 0.000 0.130 307 G C -0.652 173.520 174.900 -1.212 0.000 1.040 307 G CA -0.423 44.203 45.100 -0.790 0.000 0.713 307 G HN 0.301 nan 8.290 nan 0.000 0.488 308 I N -0.270 119.809 120.570 -0.819 0.000 2.647 308 I HA 0.692 4.863 4.170 0.001 0.000 0.295 308 I C -0.762 175.229 176.117 -0.210 0.000 1.078 308 I CA -1.382 59.559 61.300 -0.598 0.000 1.048 308 I CB 2.219 40.055 38.000 -0.273 0.000 1.239 308 I HN 0.068 nan 8.210 nan 0.000 0.421 309 L N 4.739 125.906 121.223 -0.093 0.000 2.372 309 L HA 0.833 5.174 4.340 0.001 0.000 0.274 309 L C 0.165 177.007 176.870 -0.047 0.000 0.988 309 L CA 0.178 55.074 54.840 0.094 0.000 0.833 309 L CB 1.467 43.660 42.059 0.222 0.000 1.236 309 L HN 0.815 nan 8.230 nan 0.000 0.410 310 G N 4.501 113.297 108.800 -0.007 0.000 2.245 310 G HA2 -0.126 3.835 3.960 0.001 0.000 0.130 310 G HA3 -0.126 3.835 3.960 0.001 0.000 0.130 310 G C -0.189 174.676 174.900 -0.058 0.000 1.040 310 G CA -0.267 44.823 45.100 -0.017 0.000 0.713 310 G HN 0.625 nan 8.290 nan 0.000 0.488 311 L N 0.442 121.631 121.223 -0.057 0.000 2.543 311 L HA 0.414 4.755 4.340 0.001 0.000 0.285 311 L C 1.455 178.271 176.870 -0.091 0.000 1.236 311 L CA 1.029 55.824 54.840 -0.075 0.000 0.871 311 L CB 0.438 42.454 42.059 -0.073 0.000 1.121 311 L HN 0.364 nan 8.230 nan 0.000 0.501 312 G N 2.918 111.662 108.800 -0.095 0.000 3.016 312 G HA2 0.646 4.607 3.960 0.001 0.000 0.270 312 G HA3 0.646 4.607 3.960 0.001 0.000 0.270 312 G C -2.713 172.091 174.900 -0.160 0.000 1.352 312 G CA -0.930 44.104 45.100 -0.111 0.000 1.060 312 G HN 0.416 nan 8.290 nan 0.000 0.538 313 P HA 0.133 nan 4.420 nan 0.000 0.273 313 P C -0.883 176.323 177.300 -0.157 0.000 1.250 313 P CA -0.280 62.681 63.100 -0.233 0.000 0.793 313 P CB 0.483 32.096 31.700 -0.146 0.000 1.011 314 Y N 0.133 120.416 120.300 -0.028 0.000 2.550 314 Y HA 0.110 4.661 4.550 0.002 0.000 0.343 314 Y C -1.176 174.713 175.900 -0.018 0.000 1.245 314 Y CA -1.595 56.495 58.100 -0.018 0.000 1.462 314 Y CB -1.298 37.153 38.460 -0.015 0.000 1.340 314 Y HN 0.317 nan 8.280 nan 0.000 0.604 315 P HA 0.179 nan 4.420 nan 0.000 0.276 315 P C -0.515 176.823 177.300 0.065 0.000 1.244 315 P CA -0.362 62.787 63.100 0.082 0.000 0.801 315 P CB 1.085 32.821 31.700 0.061 0.000 1.006 316 L N 1.304 122.550 121.223 0.038 0.000 2.476 316 L HA 0.019 4.359 4.340 0.001 0.000 0.264 316 L C 2.295 179.175 176.870 0.016 0.000 1.224 316 L CA -0.102 54.753 54.840 0.024 0.000 0.821 316 L CB -0.009 42.059 42.059 0.015 0.000 1.101 316 L HN 0.416 nan 8.230 nan 0.000 0.488 317 Q N 1.999 121.803 119.800 0.007 0.000 2.135 317 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 317 Q C 1.501 177.502 176.000 0.002 0.000 0.981 317 Q CA 2.352 58.155 55.803 0.000 0.000 0.856 317 Q CB -0.246 28.489 28.738 -0.005 0.000 0.902 317 Q HN 0.748 nan 8.270 nan 0.000 0.425 318 N N -0.890 117.813 118.700 0.004 0.000 2.521 318 N HA -0.098 4.642 4.740 0.001 0.000 0.188 318 N C 0.274 175.787 175.510 0.006 0.000 1.146 318 N CA 0.674 53.726 53.050 0.004 0.000 0.893 318 N CB 0.017 38.507 38.487 0.005 0.000 0.975 318 N HN 0.473 nan 8.380 nan 0.000 0.451 319 E N 0.215 120.420 120.200 0.009 0.000 2.526 319 E HA 0.148 4.498 4.350 0.001 0.000 0.208 319 E C -0.114 176.492 176.600 0.010 0.000 0.997 319 E CA -0.418 55.988 56.400 0.010 0.000 0.961 319 E CB 0.534 30.242 29.700 0.014 0.000 1.030 319 E HN 0.006 nan 8.360 nan 0.000 0.483 320 V N 2.685 122.604 119.914 0.009 0.000 2.694 320 V HA -0.026 4.095 4.120 0.001 0.000 0.306 320 V C -0.034 176.059 176.094 -0.002 0.000 1.054 320 V CA 0.719 63.023 62.300 0.007 0.000 1.161 320 V CB 0.674 32.498 31.823 0.000 0.000 0.916 320 V HN 0.241 nan 8.190 nan 0.000 0.490 321 D N 3.266 123.663 120.400 -0.006 0.000 2.686 321 D HA 0.490 5.131 4.640 0.001 0.000 0.249 321 D C 0.529 176.813 176.300 -0.027 0.000 1.260 321 D CA -0.062 53.921 54.000 -0.027 0.000 0.910 321 D CB 2.025 42.799 40.800 -0.044 0.000 1.323 321 D HN 0.494 nan 8.370 nan 0.000 0.561 322 A N 3.408 126.213 122.820 -0.026 0.000 2.131 322 A HA -0.143 4.177 4.320 0.001 0.000 0.220 322 A C 1.251 178.820 177.584 -0.025 0.000 1.158 322 A CA 1.176 53.208 52.037 -0.008 0.000 0.665 322 A CB -0.016 18.990 19.000 0.010 0.000 0.795 322 A HN 0.538 nan 8.150 nan 0.000 0.460 323 D N -1.532 118.817 120.400 -0.085 0.000 2.340 323 D HA 0.167 4.807 4.640 0.001 0.000 0.220 323 D C -0.257 175.955 176.300 -0.147 0.000 1.039 323 D CA 0.334 54.249 54.000 -0.142 0.000 0.866 323 D CB 0.451 41.091 40.800 -0.267 0.000 0.913 323 D HN 0.321 nan 8.370 nan 0.000 0.523 324 L N 1.800 122.976 121.223 -0.078 0.000 2.442 324 L HA 0.380 4.721 4.340 0.001 0.000 0.261 324 L C -0.834 176.047 176.870 0.018 0.000 1.000 324 L CA -0.747 54.070 54.840 -0.039 0.000 0.882 324 L CB 0.575 42.624 42.059 -0.017 0.000 1.207 324 L HN -0.104 nan 8.230 nan 0.000 0.443 325 I N 1.138 121.726 120.570 0.029 0.000 2.934 325 I HA 0.727 4.897 4.170 0.001 0.000 0.306 325 I C -0.467 175.680 176.117 0.051 0.000 1.110 325 I CA -0.918 60.426 61.300 0.073 0.000 1.019 325 I CB 2.054 40.131 38.000 0.127 0.000 1.227 325 I HN 0.547 nan 8.210 nan 0.000 0.434 326 N N 2.947 121.698 118.700 0.085 0.000 2.418 326 N HA 0.389 5.130 4.740 0.001 0.000 0.283 326 N C 0.787 176.347 175.510 0.084 0.000 1.267 326 N CA -0.144 52.934 53.050 0.046 0.000 0.975 326 N CB 0.514 39.045 38.487 0.074 0.000 1.167 326 N HN 0.822 nan 8.380 nan 0.000 0.581 327 A N -1.368 121.481 122.820 0.049 0.000 2.121 327 A HA 0.100 4.421 4.320 0.001 0.000 0.218 327 A C 1.689 179.439 177.584 0.277 0.000 1.154 327 A CA 1.330 53.468 52.037 0.167 0.000 0.679 327 A CB -1.373 17.685 19.000 0.097 0.000 0.795 327 A HN 0.804 nan 8.150 nan 0.000 0.458 328 G N -1.282 107.615 108.800 0.162 0.000 3.233 328 G HA2 0.285 4.245 3.960 0.001 0.000 0.227 328 G HA3 0.285 4.245 3.960 0.001 0.000 0.227 328 G C 0.590 175.559 174.900 0.115 0.000 1.175 328 G CA 0.278 45.439 45.100 0.101 0.000 0.781 328 G HN 0.499 nan 8.290 nan 0.000 0.542 329 K N -0.389 120.130 120.400 0.199 0.000 3.281 329 K HA -0.169 4.152 4.320 0.001 0.000 0.295 329 K C -0.275 176.393 176.600 0.114 0.000 1.233 329 K CA 0.809 57.203 56.287 0.179 0.000 0.866 329 K CB -1.258 31.308 32.500 0.110 0.000 1.265 329 K HN 0.545 nan 8.250 nan 0.000 0.482 330 E N 1.520 121.790 120.200 0.117 0.000 2.283 330 E HA 0.112 4.462 4.350 0.001 0.000 0.278 330 E C 0.425 177.091 176.600 0.109 0.000 1.027 330 E CA -0.281 56.167 56.400 0.080 0.000 0.843 330 E CB 0.872 30.648 29.700 0.126 0.000 1.062 330 E HN 0.200 nan 8.360 nan 0.000 0.401 331 T N -0.315 114.275 114.554 0.061 0.000 2.940 331 T HA 0.236 4.587 4.350 0.001 0.000 0.309 331 T C 0.088 174.888 174.700 0.166 0.000 1.056 331 T CA -0.685 61.463 62.100 0.080 0.000 1.137 331 T CB 0.929 69.820 68.868 0.038 0.000 0.976 331 T HN 0.220 nan 8.240 nan 0.000 0.547 332 V N 1.739 121.734 119.914 0.135 0.000 3.103 332 V HA 0.869 4.989 4.120 0.001 0.000 0.311 332 V C -0.139 175.999 176.094 0.073 0.000 1.322 332 V CA -0.185 62.201 62.300 0.144 0.000 1.063 332 V CB 2.413 34.290 31.823 0.089 0.000 1.090 332 V HN 1.462 nan 8.190 nan 0.000 0.462 333 T N -0.498 114.077 114.554 0.034 0.000 2.888 333 T HA 0.837 5.188 4.350 0.001 0.000 0.288 333 T C -0.639 174.056 174.700 -0.007 0.000 1.063 333 T CA -0.116 61.995 62.100 0.018 0.000 1.010 333 T CB 1.521 70.391 68.868 0.004 0.000 1.214 333 T HN 1.497 nan 8.240 nan 0.000 0.533 334 V N -0.914 118.995 119.914 -0.008 0.000 3.046 334 V HA 0.782 4.902 4.120 0.001 0.000 0.316 334 V C -0.428 175.639 176.094 -0.045 0.000 1.104 334 V CA -1.357 60.914 62.300 -0.048 0.000 1.006 334 V CB 1.123 32.888 31.823 -0.098 0.000 1.058 334 V HN 1.000 nan 8.190 nan 0.000 0.440 335 L N 0.960 122.150 121.223 -0.055 0.000 2.448 335 L HA 0.570 4.910 4.340 0.001 0.000 0.258 335 L C -2.178 174.671 176.870 -0.035 0.000 1.104 335 L CA -1.878 52.939 54.840 -0.039 0.000 0.800 335 L CB 1.058 43.099 42.059 -0.030 0.000 1.241 335 L HN 0.442 nan 8.230 nan 0.000 0.472 336 P HA 0.076 nan 4.420 nan 0.000 0.266 336 P C 0.465 177.751 177.300 -0.024 0.000 1.195 336 P CA 0.688 63.778 63.100 -0.017 0.000 0.768 336 P CB 0.586 32.282 31.700 -0.007 0.000 0.838 337 G N 1.245 110.025 108.800 -0.033 0.000 2.159 337 G HA2 -0.158 3.803 3.960 0.001 0.000 0.256 337 G HA3 -0.158 3.803 3.960 0.001 0.000 0.256 337 G C 0.500 175.348 174.900 -0.087 0.000 0.977 337 G CA -0.006 45.064 45.100 -0.049 0.000 0.652 337 G HN 0.839 nan 8.290 nan 0.000 0.531 338 A N -0.274 122.478 122.820 -0.112 0.000 2.386 338 A HA 0.798 5.119 4.320 0.001 0.000 0.246 338 A C 0.865 178.303 177.584 -0.244 0.000 1.089 338 A CA 1.062 52.985 52.037 -0.191 0.000 0.790 338 A CB 0.509 19.351 19.000 -0.264 0.000 1.042 338 A HN 2.022 nan 8.150 nan 0.000 0.497 339 S N -1.046 114.470 115.700 -0.307 0.000 2.595 339 S HA 0.756 5.226 4.470 0.001 0.000 0.281 339 S C -1.313 172.962 174.600 -0.541 0.000 1.117 339 S CA -0.640 57.409 58.200 -0.252 0.000 0.873 339 S CB 0.938 64.149 63.200 0.018 0.000 1.108 339 S HN 0.525 nan 8.310 nan 0.000 0.477 340 Y N 0.748 120.967 120.300 -0.136 0.000 2.468 340 Y HA 0.810 5.361 4.550 0.002 0.000 0.342 340 Y C -0.300 175.392 175.900 -0.346 0.000 1.021 340 Y CA -1.065 56.775 58.100 -0.433 0.000 1.079 340 Y CB 1.593 39.867 38.460 -0.309 0.000 1.226 340 Y HN 0.866 nan 8.280 nan 0.000 0.460 341 F N -1.959 117.973 119.950 -0.029 0.000 2.741 341 F HA 0.700 5.227 4.527 0.000 0.000 0.313 341 F C -0.408 175.278 175.800 -0.189 0.000 1.153 341 F CA -1.664 56.252 58.000 -0.139 0.000 0.931 341 F CB 0.491 39.393 39.000 -0.164 0.000 1.335 341 F HN 0.349 nan 8.300 nan 0.000 0.460 342 S N -0.168 115.517 115.700 -0.026 0.000 2.634 342 S HA 0.305 4.776 4.470 0.001 0.000 0.261 342 S C 0.646 175.154 174.600 -0.152 0.000 1.271 342 S CA 0.048 58.135 58.200 -0.188 0.000 0.985 342 S CB 1.193 64.252 63.200 -0.234 0.000 0.968 342 S HN 0.685 nan 8.310 nan 0.000 0.568 343 S N 1.370 116.870 115.700 -0.333 0.000 2.383 343 S HA -0.114 4.356 4.470 0.001 0.000 0.227 343 S C 1.685 176.191 174.600 -0.156 0.000 1.026 343 S CA 1.262 59.238 58.200 -0.374 0.000 0.981 343 S CB -0.646 61.848 63.200 -1.177 0.000 0.818 343 S HN 0.919 nan 8.310 nan 0.000 0.472 344 D N 1.368 121.644 120.400 -0.206 0.000 2.178 344 D HA -0.137 4.504 4.640 0.001 0.000 0.202 344 D C 1.767 178.031 176.300 -0.060 0.000 0.974 344 D CA 0.982 54.921 54.000 -0.101 0.000 0.841 344 D CB -0.408 40.308 40.800 -0.139 0.000 0.953 344 D HN 0.345 nan 8.370 nan 0.000 0.478 345 E N 1.194 121.349 120.200 -0.075 0.000 2.107 345 E HA -0.136 4.215 4.350 0.001 0.000 0.191 345 E C 2.051 178.564 176.600 -0.146 0.000 0.982 345 E CA 1.325 57.660 56.400 -0.109 0.000 0.809 345 E CB -0.440 29.210 29.700 -0.084 0.000 0.756 345 E HN 0.133 nan 8.360 nan 0.000 0.459 346 S N -1.153 114.547 115.700 0.000 0.000 2.370 346 S HA -0.128 4.343 4.470 0.001 0.000 0.226 346 S C 1.612 176.019 174.600 -0.321 0.000 1.033 346 S CA 1.282 59.433 58.200 -0.082 0.000 1.011 346 S CB -0.470 62.692 63.200 -0.064 0.000 0.852 346 S HN 0.373 nan 8.310 nan 0.000 0.457 347 F N 1.396 121.319 119.950 -0.046 0.000 2.615 347 F HA 0.347 4.875 4.527 0.002 0.000 0.297 347 F C 2.339 178.118 175.800 -0.036 0.000 1.124 347 F CA 0.417 58.402 58.000 -0.026 0.000 1.451 347 F CB -0.469 38.524 39.000 -0.011 0.000 1.103 347 F HN 0.274 nan 8.300 nan 0.000 0.569 348 A N -0.142 122.698 122.820 0.033 0.000 1.929 348 A HA -0.179 4.142 4.320 0.001 0.000 0.216 348 A C 2.252 179.826 177.584 -0.017 0.000 1.176 348 A CA 1.343 53.373 52.037 -0.012 0.000 0.628 348 A CB -0.643 18.302 19.000 -0.090 0.000 0.816 348 A HN 0.381 nan 8.150 nan 0.000 0.444 349 M N -0.653 118.861 119.600 -0.143 0.000 2.117 349 M HA -0.109 4.372 4.480 0.001 0.000 0.262 349 M C 1.898 178.214 176.300 0.027 0.000 1.065 349 M CA 1.792 56.993 55.300 -0.166 0.000 1.114 349 M CB -0.247 32.108 32.600 -0.408 0.000 1.361 349 M HN 0.437 nan 8.290 nan 0.000 0.408 350 I N -0.605 119.945 120.570 -0.034 0.000 2.277 350 I HA -0.245 3.926 4.170 0.001 0.000 0.243 350 I C 2.450 178.625 176.117 0.097 0.000 1.094 350 I CA 1.034 62.344 61.300 0.017 0.000 1.393 350 I CB -0.359 37.614 38.000 -0.046 0.000 1.078 350 I HN 0.237 nan 8.210 nan 0.000 0.417 351 R N 0.561 121.149 120.500 0.146 0.000 2.152 351 R HA -0.084 4.256 4.340 0.001 0.000 0.232 351 R C 2.101 178.467 176.300 0.110 0.000 1.117 351 R CA 1.266 57.459 56.100 0.155 0.000 0.981 351 R CB -0.532 29.879 30.300 0.186 0.000 0.870 351 R HN 0.408 nan 8.270 nan 0.000 0.451 352 G N -0.517 108.351 108.800 0.114 0.000 2.848 352 G HA2 0.057 4.018 3.960 0.001 0.000 0.208 352 G HA3 0.057 4.018 3.960 0.001 0.000 0.208 352 G C 0.865 175.623 174.900 -0.237 0.000 1.152 352 G CA 0.476 45.599 45.100 0.037 0.000 0.789 352 G HN 0.463 nan 8.290 nan 0.000 0.531 353 G N -0.293 108.436 108.800 -0.118 0.000 2.143 353 G HA2 -0.287 3.673 3.960 0.001 0.000 0.248 353 G HA3 -0.287 3.673 3.960 0.001 0.000 0.248 353 G C 0.896 175.654 174.900 -0.236 0.000 0.991 353 G CA 0.547 45.555 45.100 -0.153 0.000 0.689 353 G HN 0.597 nan 8.290 nan 0.000 0.522 354 H N -0.887 118.144 119.070 -0.066 0.000 2.495 354 H HA 0.126 4.683 4.556 0.001 0.000 0.287 354 H C 1.532 176.803 175.328 -0.094 0.000 1.033 354 H CA 1.125 57.103 56.048 -0.118 0.000 1.307 354 H CB 0.272 29.912 29.762 -0.202 0.000 1.401 354 H HN 0.342 nan 8.280 nan 0.000 0.555 355 V N 2.484 122.431 119.914 0.055 0.000 2.555 355 V HA -0.038 4.083 4.120 0.001 0.000 0.286 355 V C 0.823 176.980 176.094 0.106 0.000 1.044 355 V CA 0.115 62.476 62.300 0.101 0.000 1.026 355 V CB 1.220 33.091 31.823 0.079 0.000 0.981 355 V HN 0.398 nan 8.190 nan 0.000 0.480 356 N N 3.054 121.854 118.700 0.168 0.000 2.300 356 N HA 0.093 4.833 4.740 0.001 0.000 0.179 356 N C 0.008 175.568 175.510 0.083 0.000 1.016 356 N CA 0.347 53.469 53.050 0.121 0.000 0.876 356 N CB 0.224 38.800 38.487 0.148 0.000 0.979 356 N HN 0.523 nan 8.380 nan 0.000 0.432 357 L N -0.050 121.230 121.223 0.094 0.000 2.436 357 L HA 0.464 4.804 4.340 0.001 0.000 0.268 357 L C -1.416 175.494 176.870 0.067 0.000 0.974 357 L CA -0.303 54.572 54.840 0.058 0.000 0.826 357 L CB 2.394 44.472 42.059 0.032 0.000 1.291 357 L HN -0.272 nan 8.230 nan 0.000 0.406 358 T N 6.431 121.013 114.554 0.047 0.000 2.786 358 T HA 0.551 4.902 4.350 0.001 0.000 0.283 358 T C -0.768 173.953 174.700 0.035 0.000 0.992 358 T CA -0.227 61.906 62.100 0.055 0.000 0.954 358 T CB 0.810 69.713 68.868 0.059 0.000 0.934 358 T HN 0.674 nan 8.240 nan 0.000 0.440 359 M N 5.936 125.559 119.600 0.038 0.000 2.253 359 M HA 0.642 5.122 4.480 0.001 0.000 0.314 359 M C -2.013 174.312 176.300 0.041 0.000 1.019 359 M CA -0.865 54.444 55.300 0.014 0.000 0.932 359 M CB 0.767 33.350 32.600 -0.028 0.000 1.606 359 M HN 0.543 nan 8.290 nan 0.000 0.430 360 L N 3.077 124.323 121.223 0.037 0.000 2.491 360 L HA 0.995 5.335 4.340 0.001 0.000 0.254 360 L C -0.143 176.753 176.870 0.043 0.000 1.048 360 L CA -0.723 54.148 54.840 0.051 0.000 0.855 360 L CB 0.491 42.590 42.059 0.066 0.000 1.466 360 L HN 0.597 nan 8.230 nan 0.000 0.409 361 G N -1.067 107.763 108.800 0.051 0.000 2.547 361 G HA2 0.827 4.787 3.960 0.001 0.000 0.291 361 G HA3 0.827 4.787 3.960 0.001 0.000 0.291 361 G C -1.054 173.873 174.900 0.046 0.000 1.211 361 G CA -0.096 45.029 45.100 0.042 0.000 0.950 361 G HN 1.174 nan 8.290 nan 0.000 0.504 362 A N -0.625 122.215 122.820 0.033 0.000 2.612 362 A HA 0.607 4.927 4.320 0.001 0.000 0.293 362 A C 0.222 177.818 177.584 0.019 0.000 1.075 362 A CA -0.580 51.478 52.037 0.034 0.000 0.680 362 A CB 1.547 20.560 19.000 0.022 0.000 1.279 362 A HN 0.469 nan 8.150 nan 0.000 0.411 363 M N -0.026 119.584 119.600 0.017 0.000 2.357 363 M HA 0.217 4.698 4.480 0.001 0.000 0.266 363 M C 0.587 176.882 176.300 -0.008 0.000 1.095 363 M CA 1.719 57.019 55.300 0.001 0.000 1.156 363 M CB 0.096 32.689 32.600 -0.012 0.000 1.365 363 M HN 0.708 nan 8.290 nan 0.000 0.447 364 Q N -1.165 118.630 119.800 -0.008 0.000 2.435 364 Q HA 0.666 5.007 4.340 0.001 0.000 0.282 364 Q C -1.652 174.334 176.000 -0.024 0.000 1.020 364 Q CA -0.730 55.061 55.803 -0.021 0.000 0.820 364 Q CB 3.383 32.111 28.738 -0.015 0.000 1.436 364 Q HN -0.105 nan 8.270 nan 0.000 0.395 365 V N 1.065 120.947 119.914 -0.054 0.000 2.760 365 V HA 0.518 4.639 4.120 0.001 0.000 0.309 365 V C -0.327 175.714 176.094 -0.089 0.000 1.077 365 V CA -0.695 61.569 62.300 -0.060 0.000 0.910 365 V CB 1.938 33.711 31.823 -0.083 0.000 1.008 365 V HN 0.922 nan 8.190 nan 0.000 0.424 366 S N 3.107 118.768 115.700 -0.065 0.000 2.693 366 S HA 0.385 4.856 4.470 0.001 0.000 0.276 366 S C 1.109 175.614 174.600 -0.158 0.000 1.192 366 S CA -0.094 58.055 58.200 -0.085 0.000 0.994 366 S CB 1.362 64.552 63.200 -0.018 0.000 1.012 366 S HN 0.795 nan 8.310 nan 0.000 0.550 367 K N -0.201 120.049 120.400 -0.250 0.000 2.113 367 K HA -0.172 4.148 4.320 0.001 0.000 0.208 367 K C 0.641 176.930 176.600 -0.518 0.000 1.047 367 K CA 1.774 57.783 56.287 -0.462 0.000 0.928 367 K CB -0.390 31.714 32.500 -0.661 0.000 0.716 367 K HN 0.778 nan 8.250 nan 0.000 0.446 368 Y N -0.838 119.445 120.300 -0.028 0.000 2.485 368 Y HA 0.278 4.828 4.550 0.001 0.000 0.260 368 Y C 1.114 177.011 175.900 -0.005 0.000 1.173 368 Y CA 0.163 58.258 58.100 -0.009 0.000 1.252 368 Y CB 1.146 39.609 38.460 0.004 0.000 1.123 368 Y HN 0.333 nan 8.280 nan 0.000 0.524 369 G N -0.366 108.470 108.800 0.059 0.000 2.148 369 G HA2 -0.225 3.736 3.960 0.001 0.000 0.203 369 G HA3 -0.225 3.736 3.960 0.001 0.000 0.203 369 G C -0.414 174.519 174.900 0.054 0.000 0.993 369 G CA -0.347 44.780 45.100 0.045 0.000 0.661 369 G HN 0.206 nan 8.290 nan 0.000 0.518 370 D N -0.161 120.274 120.400 0.059 0.000 2.382 370 D HA 0.492 5.132 4.640 0.001 0.000 0.240 370 D C 0.375 176.699 176.300 0.039 0.000 1.146 370 D CA 0.230 54.263 54.000 0.055 0.000 0.897 370 D CB 1.728 42.558 40.800 0.051 0.000 1.197 370 D HN 0.398 nan 8.370 nan 0.000 0.432 371 L N 0.589 121.845 121.223 0.056 0.000 2.386 371 L HA 0.657 4.998 4.340 0.001 0.000 0.271 371 L C -1.407 175.517 176.870 0.091 0.000 0.993 371 L CA -0.763 54.114 54.840 0.061 0.000 0.819 371 L CB 1.842 43.945 42.059 0.074 0.000 1.294 371 L HN 0.364 nan 8.230 nan 0.000 0.414 372 A N 3.785 126.649 122.820 0.073 0.000 2.311 372 A HA 0.678 4.999 4.320 0.001 0.000 0.306 372 A C -0.354 177.280 177.584 0.083 0.000 1.189 372 A CA -0.224 51.862 52.037 0.082 0.000 0.791 372 A CB 0.312 19.319 19.000 0.012 0.000 1.172 372 A HN 0.843 nan 8.150 nan 0.000 0.481 373 N N 1.555 120.356 118.700 0.169 0.000 2.261 373 N HA -0.020 4.721 4.740 0.001 0.000 0.241 373 N C 0.157 175.812 175.510 0.241 0.000 1.374 373 N CA 0.145 53.286 53.050 0.152 0.000 0.802 373 N CB -0.083 38.487 38.487 0.139 0.000 1.339 373 N HN 0.830 nan 8.380 nan 0.000 0.498 374 W N -0.556 120.771 121.300 0.046 0.000 2.661 374 W HA 0.524 5.185 4.660 0.001 0.000 0.288 374 W C -0.764 175.793 176.519 0.063 0.000 1.014 374 W CA -0.275 57.107 57.345 0.061 0.000 1.396 374 W CB 0.114 29.613 29.460 0.063 0.000 0.963 374 W HN 0.004 nan 8.180 nan 0.000 0.584 375 M N 3.102 122.249 119.600 -0.754 0.000 2.142 375 M HA 0.458 4.938 4.480 0.001 0.000 0.299 375 M C -1.122 174.938 176.300 -0.400 0.000 0.960 375 M CA -1.475 53.366 55.300 -0.765 0.000 0.920 375 M CB 1.577 33.235 32.600 -1.571 0.000 1.541 375 M HN 0.144 nan 8.290 nan 0.000 0.429 376 I N 6.514 126.961 120.570 -0.205 0.000 2.342 376 I HA 0.634 4.805 4.170 0.001 0.000 0.291 376 I C -2.383 173.664 176.117 -0.117 0.000 1.010 376 I CA -1.765 59.460 61.300 -0.125 0.000 1.308 376 I CB 1.269 39.236 38.000 -0.054 0.000 1.400 376 I HN 0.540 nan 8.210 nan 0.000 0.488 377 P HA 0.385 nan 4.420 nan 0.000 0.269 377 P C -0.404 176.876 177.300 -0.033 0.000 1.217 377 P CA 0.175 63.232 63.100 -0.072 0.000 0.783 377 P CB 0.659 32.323 31.700 -0.060 0.000 0.898 378 G N 0.367 109.162 108.800 -0.008 0.000 2.345 378 G HA2 -0.014 3.946 3.960 0.001 0.000 0.310 378 G HA3 -0.014 3.946 3.960 0.001 0.000 0.310 378 G C 0.053 174.981 174.900 0.046 0.000 1.476 378 G CA -0.597 44.508 45.100 0.008 0.000 0.978 378 G HN 0.405 nan 8.290 nan 0.000 0.656 379 K N -0.939 119.483 120.400 0.036 0.000 2.211 379 K HA 0.062 4.382 4.320 0.001 0.000 0.203 379 K C 1.022 177.764 176.600 0.236 0.000 1.050 379 K CA 0.435 56.764 56.287 0.070 0.000 0.945 379 K CB -0.151 32.264 32.500 -0.141 0.000 0.732 379 K HN 0.292 nan 8.250 nan 0.000 0.451 380 L N 1.585 122.917 121.223 0.182 0.000 2.397 380 L HA 0.128 4.468 4.340 0.001 0.000 0.271 380 L C -0.299 176.691 176.870 0.201 0.000 1.148 380 L CA -0.044 54.946 54.840 0.251 0.000 0.825 380 L CB 1.229 43.379 42.059 0.151 0.000 1.117 380 L HN -0.013 nan 8.230 nan 0.000 0.456 381 V N 1.828 121.848 119.914 0.176 0.000 2.769 381 V HA 0.622 4.743 4.120 0.001 0.000 0.312 381 V C 0.258 176.365 176.094 0.021 0.000 1.061 381 V CA -0.720 61.627 62.300 0.078 0.000 0.931 381 V CB 1.952 33.788 31.823 0.022 0.000 1.010 381 V HN 0.795 nan 8.190 nan 0.000 0.433 382 K N 2.105 122.524 120.400 0.033 0.000 2.474 382 K HA 0.563 4.884 4.320 0.001 0.000 0.202 382 K C 0.713 177.277 176.600 -0.060 0.000 1.248 382 K CA 0.521 56.736 56.287 -0.120 0.000 0.946 382 K CB 1.202 33.686 32.500 -0.027 0.000 1.102 382 K HN 1.516 nan 8.250 nan 0.000 0.541 383 G N 1.984 110.927 108.800 0.239 0.000 2.619 383 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 383 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 383 G C 0.187 175.324 174.900 0.395 0.000 1.256 383 G CA -0.151 45.113 45.100 0.274 0.000 0.826 383 G HN 0.044 nan 8.290 nan 0.000 0.619 384 M N 0.845 120.465 119.600 0.034 0.000 2.541 384 M HA 0.360 4.840 4.480 0.001 0.000 0.252 384 M C 1.557 177.864 176.300 0.011 0.000 1.125 384 M CA 2.017 57.252 55.300 -0.109 0.000 1.091 384 M CB -1.444 30.670 32.600 -0.809 0.000 1.420 384 M HN 2.772 nan 8.290 nan 0.000 0.486 385 G N 1.577 110.420 108.800 0.073 0.000 2.614 385 G HA2 -0.325 3.635 3.960 0.001 0.000 0.303 385 G HA3 -0.325 3.635 3.960 0.001 0.000 0.303 385 G C 0.637 175.577 174.900 0.066 0.000 1.270 385 G CA 0.455 45.614 45.100 0.100 0.000 0.988 385 G HN 0.848 nan 8.290 nan 0.000 0.551 386 G N 0.036 108.942 108.800 0.178 0.000 3.284 386 G HA2 0.557 4.518 3.960 0.001 0.000 0.236 386 G HA3 0.557 4.518 3.960 0.001 0.000 0.236 386 G C 1.581 176.603 174.900 0.204 0.000 1.158 386 G CA 1.690 46.949 45.100 0.265 0.000 0.774 386 G HN 1.606 nan 8.290 nan 0.000 0.545 387 A N 0.962 123.845 122.820 0.105 0.000 1.902 387 A HA -0.015 4.306 4.320 0.001 0.000 0.217 387 A C 2.326 179.946 177.584 0.060 0.000 1.181 387 A CA 1.373 53.466 52.037 0.093 0.000 0.623 387 A CB -0.299 18.760 19.000 0.098 0.000 0.818 387 A HN 0.397 nan 8.150 nan 0.000 0.443 388 M N -0.560 119.025 119.600 -0.025 0.000 2.229 388 M HA -0.133 4.347 4.480 0.001 0.000 0.264 388 M C 1.344 177.672 176.300 0.048 0.000 1.063 388 M CA 1.426 56.707 55.300 -0.032 0.000 1.114 388 M CB -0.534 31.983 32.600 -0.139 0.000 1.387 388 M HN 0.404 nan 8.290 nan 0.000 0.420 389 D N 0.566 121.021 120.400 0.091 0.000 2.123 389 D HA -0.065 4.575 4.640 0.001 0.000 0.200 389 D C 2.062 178.487 176.300 0.210 0.000 0.976 389 D CA 1.173 55.286 54.000 0.188 0.000 0.831 389 D CB -0.071 40.929 40.800 0.334 0.000 0.974 389 D HN 0.353 nan 8.370 nan 0.000 0.469 390 L N 1.016 122.363 121.223 0.207 0.000 2.265 390 L HA -0.120 4.221 4.340 0.001 0.000 0.215 390 L C 2.176 179.111 176.870 0.108 0.000 1.117 390 L CA 0.685 55.617 54.840 0.153 0.000 0.782 390 L CB -0.021 42.121 42.059 0.140 0.000 0.914 390 L HN 0.016 nan 8.230 nan 0.000 0.441 391 V N -5.146 114.828 119.914 0.100 0.000 3.376 391 V HA 0.138 4.259 4.120 0.001 0.000 0.313 391 V C 1.905 178.046 176.094 0.077 0.000 1.393 391 V CA 0.511 62.859 62.300 0.080 0.000 1.125 391 V CB 0.100 31.969 31.823 0.075 0.000 1.037 391 V HN 0.361 nan 8.190 nan 0.000 0.440 392 S N -0.292 115.462 115.700 0.091 0.000 2.489 392 S HA 0.075 4.546 4.470 0.001 0.000 0.228 392 S C 1.177 175.817 174.600 0.066 0.000 0.995 392 S CA 0.819 59.069 58.200 0.085 0.000 0.934 392 S CB -0.225 63.044 63.200 0.115 0.000 0.771 392 S HN 0.651 nan 8.310 nan 0.000 0.522 393 S N 0.274 116.013 115.700 0.065 0.000 2.480 393 S HA 0.701 5.172 4.470 0.001 0.000 0.286 393 S C 1.041 175.659 174.600 0.030 0.000 1.180 393 S CA -0.247 57.982 58.200 0.047 0.000 1.075 393 S CB 1.210 64.432 63.200 0.037 0.000 0.996 393 S HN 0.473 nan 8.310 nan 0.000 0.487 394 A N 5.050 127.882 122.820 0.020 0.000 2.015 394 A HA 0.001 4.321 4.320 0.001 0.000 0.219 394 A C 1.891 179.482 177.584 0.011 0.000 1.163 394 A CA 1.132 53.178 52.037 0.015 0.000 0.646 394 A CB -0.300 18.706 19.000 0.009 0.000 0.806 394 A HN 0.902 nan 8.150 nan 0.000 0.448 395 K N -0.474 119.927 120.400 0.000 0.000 2.228 395 K HA 0.012 4.333 4.320 0.001 0.000 0.202 395 K C -0.050 176.548 176.600 -0.003 0.000 1.051 395 K CA 0.765 57.045 56.287 -0.012 0.000 0.960 395 K CB -0.073 32.398 32.500 -0.049 0.000 0.743 395 K HN 0.304 nan 8.250 nan 0.000 0.458 396 T N 2.182 116.741 114.554 0.008 0.000 2.817 396 T HA 0.089 4.439 4.350 0.001 0.000 0.293 396 T C -0.243 174.474 174.700 0.027 0.000 0.964 396 T CA -0.418 61.695 62.100 0.022 0.000 1.085 396 T CB 1.367 70.254 68.868 0.032 0.000 0.921 396 T HN 0.037 nan 8.240 nan 0.000 0.502 397 K N 3.091 123.507 120.400 0.027 0.000 2.379 397 K HA 0.316 4.637 4.320 0.001 0.000 0.284 397 K C -0.972 175.640 176.600 0.021 0.000 1.044 397 K CA -0.349 55.950 56.287 0.021 0.000 0.974 397 K CB 0.373 32.880 32.500 0.012 0.000 0.962 397 K HN 0.310 nan 8.250 nan 0.000 0.474 398 V N 5.463 125.391 119.914 0.023 0.000 2.384 398 V HA 0.272 4.393 4.120 0.001 0.000 0.287 398 V C -0.582 175.520 176.094 0.013 0.000 1.020 398 V CA -0.857 61.458 62.300 0.024 0.000 0.850 398 V CB 1.638 33.483 31.823 0.037 0.000 0.987 398 V HN 0.520 nan 8.190 nan 0.000 0.436 399 V N 5.922 125.836 119.914 -0.000 0.000 2.448 399 V HA 0.472 4.593 4.120 0.001 0.000 0.295 399 V C -0.127 175.964 176.094 -0.006 0.000 1.025 399 V CA -0.639 61.652 62.300 -0.014 0.000 0.859 399 V CB 2.054 33.845 31.823 -0.053 0.000 0.988 399 V HN 0.574 nan 8.190 nan 0.000 0.431 400 V N 4.300 124.214 119.914 0.001 0.000 2.472 400 V HA 0.568 4.688 4.120 0.001 0.000 0.290 400 V C 0.370 176.462 176.094 -0.004 0.000 1.037 400 V CA -0.275 62.028 62.300 0.005 0.000 0.908 400 V CB 2.209 34.035 31.823 0.004 0.000 0.985 400 V HN 1.035 nan 8.190 nan 0.000 0.454 401 T N 4.049 118.602 114.554 -0.001 0.000 2.815 401 T HA 0.814 5.165 4.350 0.001 0.000 0.289 401 T C -0.711 173.988 174.700 -0.002 0.000 1.000 401 T CA -0.675 61.421 62.100 -0.008 0.000 0.958 401 T CB 1.080 69.943 68.868 -0.008 0.000 0.944 401 T HN 0.752 nan 8.240 nan 0.000 0.442 402 M N 0.479 120.074 119.600 -0.008 0.000 2.603 402 M HA 0.607 5.088 4.480 0.001 0.000 0.275 402 M C -1.326 174.971 176.300 -0.005 0.000 1.226 402 M CA -0.976 54.320 55.300 -0.006 0.000 0.870 402 M CB 1.831 34.424 32.600 -0.012 0.000 1.716 402 M HN 0.330 nan 8.290 nan 0.000 0.482 403 E N 0.998 121.201 120.200 0.004 0.000 2.413 403 E HA -0.006 4.345 4.350 0.001 0.000 0.263 403 E C 0.080 176.709 176.600 0.049 0.000 1.015 403 E CA 0.290 56.704 56.400 0.023 0.000 0.916 403 E CB 0.928 30.639 29.700 0.018 0.000 0.947 403 E HN 0.791 nan 8.360 nan 0.000 0.440 404 H N 1.701 120.774 119.070 0.006 0.000 2.352 404 H HA -0.070 4.486 4.556 0.001 0.000 0.299 404 H C 0.017 175.379 175.328 0.057 0.000 1.097 404 H CA 1.528 57.600 56.048 0.039 0.000 1.311 404 H CB 0.498 30.284 29.762 0.041 0.000 1.377 404 H HN 0.199 nan 8.280 nan 0.000 0.504 405 S N -1.111 114.715 115.700 0.210 0.000 2.599 405 S HA 0.680 5.151 4.470 0.001 0.000 0.294 405 S C -0.716 173.930 174.600 0.076 0.000 1.094 405 S CA -0.527 57.770 58.200 0.161 0.000 0.931 405 S CB 2.031 65.343 63.200 0.186 0.000 1.093 405 S HN 0.559 nan 8.310 nan 0.000 0.488 406 A N 1.833 124.682 122.820 0.049 0.000 2.296 406 A HA 0.524 4.845 4.320 0.001 0.000 0.264 406 A C 0.006 177.598 177.584 0.013 0.000 1.097 406 A CA -0.390 51.660 52.037 0.022 0.000 0.811 406 A CB 0.062 19.067 19.000 0.009 0.000 1.072 406 A HN 0.607 nan 8.150 nan 0.000 0.495 407 K N -0.107 120.297 120.400 0.006 0.000 2.484 407 K HA 0.286 4.607 4.320 0.001 0.000 0.280 407 K C 1.191 177.788 176.600 -0.006 0.000 1.013 407 K CA 1.365 57.653 56.287 0.001 0.000 1.029 407 K CB 0.223 32.723 32.500 -0.000 0.000 0.902 407 K HN 1.549 nan 8.250 nan 0.000 0.481 408 G N 2.639 111.435 108.800 -0.007 0.000 2.258 408 G HA2 -0.359 3.602 3.960 0.001 0.000 0.233 408 G HA3 -0.359 3.602 3.960 0.001 0.000 0.233 408 G C 0.434 175.320 174.900 -0.024 0.000 1.006 408 G CA 0.306 45.397 45.100 -0.016 0.000 0.620 408 G HN 0.807 nan 8.290 nan 0.000 0.511 409 N N -1.109 117.580 118.700 -0.018 0.000 3.016 409 N HA -0.104 4.637 4.740 0.001 0.000 0.223 409 N C 0.712 176.177 175.510 -0.075 0.000 0.922 409 N CA 0.518 53.556 53.050 -0.021 0.000 0.998 409 N CB -1.199 37.277 38.487 -0.019 0.000 1.064 409 N HN 1.785 nan 8.380 nan 0.000 0.566 410 A N 0.777 123.548 122.820 -0.082 0.000 2.507 410 A HA 0.179 4.500 4.320 0.001 0.000 0.235 410 A C 0.336 177.876 177.584 -0.073 0.000 1.070 410 A CA 0.383 52.336 52.037 -0.141 0.000 0.768 410 A CB 0.163 19.123 19.000 -0.067 0.000 1.011 410 A HN 0.272 nan 8.150 nan 0.000 0.502 411 H N 0.816 119.905 119.070 0.033 0.000 2.707 411 H HA 0.144 4.701 4.556 0.001 0.000 0.359 411 H C 0.601 175.929 175.328 -0.000 0.000 1.113 411 H CA 0.359 56.428 56.048 0.035 0.000 1.422 411 H CB 0.955 30.735 29.762 0.028 0.000 1.443 411 H HN 0.720 nan 8.280 nan 0.000 0.591 412 K N 1.693 122.162 120.400 0.115 0.000 2.370 412 K HA 0.272 4.593 4.320 0.001 0.000 0.194 412 K C 0.296 176.867 176.600 -0.048 0.000 1.070 412 K CA 0.353 56.648 56.287 0.012 0.000 0.998 412 K CB 0.853 33.341 32.500 -0.021 0.000 0.911 412 K HN 0.384 nan 8.250 nan 0.000 0.533 413 I N 3.404 123.915 120.570 -0.098 0.000 2.312 413 I HA 0.284 4.454 4.170 0.001 0.000 0.290 413 I C -0.099 175.923 176.117 -0.159 0.000 1.008 413 I CA -0.466 60.719 61.300 -0.191 0.000 1.226 413 I CB 0.998 38.791 38.000 -0.345 0.000 1.371 413 I HN 0.050 nan 8.210 nan 0.000 0.468 414 M N 2.997 122.516 119.600 -0.135 0.000 3.079 414 M HA 0.513 4.993 4.480 0.001 0.000 0.277 414 M C -0.021 176.212 176.300 -0.112 0.000 1.317 414 M CA -0.837 54.399 55.300 -0.106 0.000 0.793 414 M CB 1.526 34.113 32.600 -0.021 0.000 1.690 414 M HN 0.149 nan 8.290 nan 0.000 0.451 415 E N 1.172 121.326 120.200 -0.078 0.000 2.051 415 E HA 0.043 4.393 4.350 0.001 0.000 0.192 415 E C -0.139 176.441 176.600 -0.034 0.000 0.991 415 E CA 1.422 57.780 56.400 -0.070 0.000 0.799 415 E CB 0.150 29.835 29.700 -0.025 0.000 0.748 415 E HN 0.348 nan 8.360 nan 0.000 0.449 416 K N -0.129 120.264 120.400 -0.012 0.000 2.523 416 K HA 0.281 4.602 4.320 0.001 0.000 0.257 416 K C -0.725 175.876 176.600 0.001 0.000 0.932 416 K CA -0.559 55.733 56.287 0.007 0.000 0.812 416 K CB 2.222 34.736 32.500 0.022 0.000 1.326 416 K HN -0.003 nan 8.250 nan 0.000 0.433 417 C N 1.407 120.708 119.300 0.002 0.000 2.657 417 C HA 0.152 4.613 4.460 0.001 0.000 0.404 417 C C 2.050 177.040 174.990 -0.001 0.000 1.291 417 C CA -0.128 58.889 59.018 -0.001 0.000 2.218 417 C CB -0.024 27.718 27.740 0.003 0.000 2.687 417 C HN 0.895 nan 8.230 nan 0.000 0.634 418 T N -0.919 113.631 114.554 -0.006 0.000 3.001 418 T HA 0.249 4.599 4.350 0.001 0.000 0.251 418 T C 0.324 175.009 174.700 -0.025 0.000 1.040 418 T CA 0.121 62.215 62.100 -0.010 0.000 0.985 418 T CB -0.064 68.800 68.868 -0.007 0.000 1.011 418 T HN 0.514 nan 8.240 nan 0.000 0.509 419 L N 1.496 122.699 121.223 -0.034 0.000 2.416 419 L HA 0.496 4.836 4.340 0.001 0.000 0.262 419 L C -2.389 174.438 176.870 -0.070 0.000 1.093 419 L CA -2.904 51.894 54.840 -0.070 0.000 0.801 419 L CB 0.693 42.703 42.059 -0.082 0.000 1.191 419 L HN -0.108 nan 8.230 nan 0.000 0.459 420 P HA 0.065 nan 4.420 nan 0.000 0.264 420 P C -0.754 176.585 177.300 0.065 0.000 1.193 420 P CA 0.073 63.126 63.100 -0.077 0.000 0.763 420 P CB 0.328 31.853 31.700 -0.291 0.000 0.810 421 L N 2.641 123.969 121.223 0.175 0.000 2.397 421 L HA 0.116 4.457 4.340 0.001 0.000 0.271 421 L C 1.517 178.629 176.870 0.403 0.000 1.148 421 L CA 0.182 55.150 54.840 0.213 0.000 0.825 421 L CB 0.309 42.429 42.059 0.102 0.000 1.117 421 L HN 0.430 nan 8.230 nan 0.000 0.456 422 T N 0.506 115.254 114.554 0.323 0.000 3.031 422 T HA 0.191 4.541 4.350 0.001 0.000 0.254 422 T C 0.545 175.299 174.700 0.091 0.000 1.060 422 T CA 0.606 62.843 62.100 0.228 0.000 1.135 422 T CB 0.454 69.465 68.868 0.239 0.000 0.896 422 T HN 0.825 nan 8.240 nan 0.000 0.472 423 G N 0.334 109.189 108.800 0.093 0.000 2.601 423 G HA2 0.559 4.519 3.960 0.001 0.000 0.291 423 G HA3 0.559 4.519 3.960 0.001 0.000 0.291 423 G C -1.985 172.951 174.900 0.061 0.000 1.456 423 G CA -0.863 44.275 45.100 0.064 0.000 0.804 423 G HN 0.008 nan 8.290 nan 0.000 0.499 424 K N 0.675 121.115 120.400 0.066 0.000 2.182 424 K HA 0.403 4.723 4.320 0.001 0.000 0.262 424 K C -0.095 176.565 176.600 0.101 0.000 0.957 424 K CA -0.541 55.791 56.287 0.073 0.000 0.842 424 K CB 1.572 34.111 32.500 0.066 0.000 1.099 424 K HN 0.660 nan 8.250 nan 0.000 0.438 425 Q N 0.329 120.188 119.800 0.098 0.000 2.431 425 Q HA -0.242 4.099 4.340 0.001 0.000 0.344 425 Q C 0.414 176.463 176.000 0.081 0.000 1.384 425 Q CA 0.521 56.385 55.803 0.101 0.000 0.984 425 Q CB -1.797 27.002 28.738 0.102 0.000 1.204 425 Q HN 0.879 nan 8.270 nan 0.000 0.392 426 C N -4.731 114.612 119.300 0.072 0.000 3.580 426 C HA 0.476 4.937 4.460 0.001 0.000 0.337 426 C C 0.850 175.871 174.990 0.052 0.000 1.412 426 C CA -0.445 58.610 59.018 0.062 0.000 1.797 426 C CB -0.047 27.733 27.740 0.067 0.000 2.470 426 C HN 0.276 nan 8.230 nan 0.000 0.691 427 V N 3.439 123.382 119.914 0.048 0.000 2.509 427 V HA 0.295 4.415 4.120 0.001 0.000 0.284 427 V C 0.255 176.370 176.094 0.035 0.000 1.047 427 V CA 0.435 62.756 62.300 0.035 0.000 0.952 427 V CB 1.261 33.097 31.823 0.022 0.000 0.988 427 V HN 0.467 nan 8.190 nan 0.000 0.469 428 N N 2.628 121.346 118.700 0.030 0.000 2.348 428 N HA 0.227 4.968 4.740 0.001 0.000 0.183 428 N C 0.384 175.913 175.510 0.033 0.000 1.094 428 N CA -0.131 52.938 53.050 0.033 0.000 0.885 428 N CB 0.618 39.122 38.487 0.028 0.000 1.065 428 N HN 0.620 nan 8.380 nan 0.000 0.472 429 R N 0.548 121.064 120.500 0.027 0.000 2.594 429 R HA 0.468 4.809 4.340 0.001 0.000 0.265 429 R C -2.089 174.231 176.300 0.035 0.000 1.070 429 R CA -0.477 55.645 56.100 0.036 0.000 0.909 429 R CB 1.227 31.536 30.300 0.015 0.000 1.243 429 R HN -0.086 nan 8.270 nan 0.000 0.455 430 I N 4.935 125.550 120.570 0.075 0.000 2.465 430 I HA 0.428 4.599 4.170 0.001 0.000 0.291 430 I C -0.484 175.680 176.117 0.078 0.000 1.014 430 I CA -0.778 60.564 61.300 0.070 0.000 1.093 430 I CB 2.146 40.203 38.000 0.095 0.000 1.267 430 I HN 0.448 nan 8.210 nan 0.000 0.431 431 I N 5.481 126.066 120.570 0.025 0.000 2.389 431 I HA 0.402 4.573 4.170 0.001 0.000 0.288 431 I C 0.243 176.362 176.117 0.004 0.000 0.999 431 I CA -0.189 61.111 61.300 0.000 0.000 1.129 431 I CB 2.004 39.985 38.000 -0.031 0.000 1.288 431 I HN 0.655 nan 8.210 nan 0.000 0.444 432 T N 0.991 115.558 114.554 0.021 0.000 2.807 432 T HA 0.287 4.637 4.350 0.001 0.000 0.277 432 T C 0.795 175.487 174.700 -0.012 0.000 1.006 432 T CA -0.610 61.512 62.100 0.037 0.000 1.006 432 T CB 1.607 70.566 68.868 0.151 0.000 1.274 432 T HN 0.617 nan 8.240 nan 0.000 0.569 433 E N 0.289 120.462 120.200 -0.045 0.000 2.427 433 E HA 0.003 4.353 4.350 0.001 0.000 0.196 433 E C 1.131 177.601 176.600 -0.216 0.000 1.028 433 E CA 0.685 56.963 56.400 -0.204 0.000 0.864 433 E CB -0.053 29.500 29.700 -0.245 0.000 0.813 433 E HN 0.725 nan 8.360 nan 0.000 0.514 434 K N 0.064 120.442 120.400 -0.038 0.000 2.313 434 K HA 0.354 4.674 4.320 0.001 0.000 0.197 434 K C 0.616 177.223 176.600 0.011 0.000 1.061 434 K CA 0.689 56.969 56.287 -0.010 0.000 0.980 434 K CB 1.030 33.440 32.500 -0.151 0.000 0.888 434 K HN 0.136 nan 8.250 nan 0.000 0.502 435 A N 0.631 123.443 122.820 -0.013 0.000 2.610 435 A HA 0.585 4.905 4.320 0.001 0.000 0.291 435 A C -1.529 175.923 177.584 -0.219 0.000 1.086 435 A CA -0.619 51.293 52.037 -0.208 0.000 0.677 435 A CB 1.721 20.418 19.000 -0.505 0.000 1.278 435 A HN -0.107 nan 8.150 nan 0.000 0.414 436 V N 0.884 120.602 119.914 -0.326 0.000 2.487 436 V HA 0.637 4.758 4.120 0.001 0.000 0.298 436 V C -1.335 174.563 176.094 -0.327 0.000 1.028 436 V CA -0.226 61.951 62.300 -0.205 0.000 0.860 436 V CB 1.157 32.915 31.823 -0.107 0.000 0.991 436 V HN 0.677 nan 8.190 nan 0.000 0.427 437 F N 1.835 121.743 119.950 -0.071 0.000 2.495 437 F HA 0.538 5.067 4.527 0.002 0.000 0.327 437 F C 0.333 176.106 175.800 -0.045 0.000 1.103 437 F CA -0.715 57.239 58.000 -0.077 0.000 0.949 437 F CB 1.649 40.585 39.000 -0.107 0.000 1.142 437 F HN 0.389 nan 8.300 nan 0.000 0.457 438 D N 1.723 122.232 120.400 0.182 0.000 2.264 438 D HA 0.515 5.156 4.640 0.001 0.000 0.249 438 D C -0.725 175.643 176.300 0.113 0.000 1.070 438 D CA 0.034 54.100 54.000 0.111 0.000 0.912 438 D CB 2.111 42.959 40.800 0.080 0.000 1.193 438 D HN 0.105 nan 8.370 nan 0.000 0.427 439 V N 1.519 121.476 119.914 0.071 0.000 2.604 439 V HA 0.356 4.477 4.120 0.001 0.000 0.305 439 V C -0.479 175.655 176.094 0.067 0.000 1.043 439 V CA -0.805 61.524 62.300 0.048 0.000 0.888 439 V CB 2.109 33.944 31.823 0.020 0.000 0.995 439 V HN 0.474 nan 8.190 nan 0.000 0.429 440 D N 1.787 122.241 120.400 0.091 0.000 2.649 440 D HA 0.409 5.050 4.640 0.001 0.000 0.249 440 D C 1.114 177.523 176.300 0.181 0.000 1.112 440 D CA -0.744 53.322 54.000 0.111 0.000 0.850 440 D CB 1.676 42.539 40.800 0.105 0.000 1.399 440 D HN 0.571 nan 8.370 nan 0.000 0.503 441 R N 2.517 123.101 120.500 0.141 0.000 2.285 441 R HA 0.006 4.347 4.340 0.001 0.000 0.213 441 R C 0.583 176.934 176.300 0.084 0.000 1.068 441 R CA 0.987 57.180 56.100 0.155 0.000 1.004 441 R CB 0.087 30.433 30.300 0.076 0.000 0.873 441 R HN 0.284 nan 8.270 nan 0.000 0.467 442 K N 0.790 121.241 120.400 0.086 0.000 2.387 442 K HA 0.058 4.379 4.320 0.001 0.000 0.197 442 K C 1.547 178.227 176.600 0.134 0.000 1.127 442 K CA 0.658 56.934 56.287 -0.018 0.000 0.950 442 K CB 0.503 32.994 32.500 -0.014 0.000 1.017 442 K HN 0.225 nan 8.250 nan 0.000 0.519 443 K N 0.164 120.693 120.400 0.215 0.000 2.352 443 K HA 0.229 4.549 4.320 0.001 0.000 0.194 443 K C 0.911 177.664 176.600 0.254 0.000 1.038 443 K CA 0.552 56.972 56.287 0.221 0.000 1.023 443 K CB 0.703 33.279 32.500 0.126 0.000 0.840 443 K HN 0.116 nan 8.250 nan 0.000 0.519 444 G N 1.255 110.214 108.800 0.265 0.000 2.481 444 G HA2 -0.212 3.749 3.960 0.001 0.000 0.230 444 G HA3 -0.212 3.749 3.960 0.001 0.000 0.230 444 G C -0.952 173.939 174.900 -0.015 0.000 1.210 444 G CA -0.291 44.777 45.100 -0.054 0.000 0.936 444 G HN 0.118 nan 8.290 nan 0.000 0.583 445 L N 0.663 121.858 121.223 -0.047 0.000 2.343 445 L HA 0.687 5.028 4.340 0.001 0.000 0.275 445 L C 0.163 177.162 176.870 0.215 0.000 1.056 445 L CA -0.581 54.282 54.840 0.038 0.000 0.804 445 L CB 1.869 43.840 42.059 -0.146 0.000 1.203 445 L HN 0.615 nan 8.230 nan 0.000 0.440 446 T N 3.068 117.787 114.554 0.275 0.000 2.881 446 T HA 0.338 4.689 4.350 0.001 0.000 0.291 446 T C -0.616 174.255 174.700 0.285 0.000 0.990 446 T CA -0.440 61.825 62.100 0.274 0.000 0.976 446 T CB 1.622 70.585 68.868 0.159 0.000 0.970 446 T HN 0.284 nan 8.240 nan 0.000 0.438 447 L N 5.869 127.232 121.223 0.234 0.000 2.369 447 L HA 0.456 4.797 4.340 0.001 0.000 0.279 447 L C 0.777 177.592 176.870 -0.090 0.000 1.108 447 L CA 0.237 54.974 54.840 -0.172 0.000 0.852 447 L CB -0.117 41.776 42.059 -0.277 0.000 1.169 447 L HN 0.788 nan 8.230 nan 0.000 0.452 448 I N 0.099 120.584 120.570 -0.141 0.000 4.323 448 I HA 0.444 4.615 4.170 0.001 0.000 0.328 448 I C -0.042 176.023 176.117 -0.087 0.000 1.310 448 I CA -0.154 61.105 61.300 -0.068 0.000 1.186 448 I CB 0.202 38.184 38.000 -0.029 0.000 1.130 448 I HN 0.495 nan 8.210 nan 0.000 0.411 449 E N 1.768 121.882 120.200 -0.144 0.000 2.356 449 E HA 0.636 4.987 4.350 0.001 0.000 0.275 449 E C -1.835 174.684 176.600 -0.135 0.000 0.904 449 E CA -0.871 55.467 56.400 -0.103 0.000 0.757 449 E CB 3.412 33.073 29.700 -0.065 0.000 1.232 449 E HN 0.055 nan 8.360 nan 0.000 0.442 450 L N 2.213 123.392 121.223 -0.073 0.000 2.438 450 L HA 0.374 4.715 4.340 0.001 0.000 0.270 450 L C -1.219 175.669 176.870 0.030 0.000 0.972 450 L CA -0.411 54.398 54.840 -0.051 0.000 0.831 450 L CB 1.360 43.376 42.059 -0.071 0.000 1.273 450 L HN 0.714 nan 8.230 nan 0.000 0.405 451 W N 5.232 126.468 121.300 -0.107 0.000 2.223 451 W HA 0.093 4.752 4.660 -0.001 0.000 0.334 451 W C 0.420 176.901 176.519 -0.064 0.000 1.334 451 W CA -0.205 57.093 57.345 -0.079 0.000 1.246 451 W CB 0.824 30.239 29.460 -0.074 0.000 1.184 451 W HN 0.668 nan 8.180 nan 0.000 0.563 452 E N 2.579 122.081 120.200 -1.164 0.000 2.608 452 E HA 0.018 4.368 4.350 0.001 0.000 0.259 452 E C 1.010 177.178 176.600 -0.719 0.000 0.951 452 E CA 1.962 57.786 56.400 -0.960 0.000 0.945 452 E CB 0.484 29.484 29.700 -1.165 0.000 0.916 452 E HN 0.795 nan 8.360 nan 0.000 0.477 453 G N 3.333 111.931 108.800 -0.337 0.000 2.241 453 G HA2 -0.264 3.696 3.960 0.001 0.000 0.244 453 G HA3 -0.264 3.696 3.960 0.001 0.000 0.244 453 G C 0.346 175.208 174.900 -0.063 0.000 0.998 453 G CA 0.329 45.329 45.100 -0.167 0.000 0.621 453 G HN 0.424 nan 8.290 nan 0.000 0.519 454 L N 1.415 122.608 121.223 -0.050 0.000 2.352 454 L HA 0.730 5.071 4.340 0.001 0.000 0.269 454 L C 1.036 177.898 176.870 -0.014 0.000 1.034 454 L CA -0.239 54.610 54.840 0.015 0.000 0.806 454 L CB 1.822 43.927 42.059 0.077 0.000 1.244 454 L HN 0.393 nan 8.230 nan 0.000 0.447 455 T N -2.460 112.097 114.554 0.005 0.000 2.940 455 T HA 0.343 4.693 4.350 0.001 0.000 0.288 455 T C 0.994 175.717 174.700 0.039 0.000 1.045 455 T CA -0.797 61.309 62.100 0.011 0.000 1.018 455 T CB 1.769 70.647 68.868 0.016 0.000 1.151 455 T HN 0.176 nan 8.240 nan 0.000 0.529 456 V N 0.921 120.872 119.914 0.062 0.000 2.380 456 V HA -0.156 3.964 4.120 0.001 0.000 0.251 456 V C 2.496 178.696 176.094 0.176 0.000 1.063 456 V CA 2.537 64.923 62.300 0.142 0.000 1.055 456 V CB -0.989 30.924 31.823 0.150 0.000 0.657 456 V HN 1.090 nan 8.190 nan 0.000 0.455 457 D N -0.282 120.180 120.400 0.103 0.000 2.178 457 D HA -0.180 4.460 4.640 0.001 0.000 0.202 457 D C 1.779 178.137 176.300 0.097 0.000 0.974 457 D CA 1.134 55.190 54.000 0.093 0.000 0.841 457 D CB -0.098 40.733 40.800 0.052 0.000 0.953 457 D HN 0.414 nan 8.370 nan 0.000 0.478 458 D N -0.059 120.383 120.400 0.070 0.000 2.144 458 D HA -0.129 4.512 4.640 0.001 0.000 0.199 458 D C 2.061 178.390 176.300 0.048 0.000 0.984 458 D CA 0.548 54.576 54.000 0.047 0.000 0.834 458 D CB -0.032 40.781 40.800 0.022 0.000 0.955 458 D HN 0.309 nan 8.370 nan 0.000 0.465 459 I N 1.270 121.882 120.570 0.070 0.000 2.252 459 I HA -0.184 3.987 4.170 0.001 0.000 0.245 459 I C 2.184 178.471 176.117 0.282 0.000 1.102 459 I CA 0.983 62.323 61.300 0.067 0.000 1.385 459 I CB -0.802 37.190 38.000 -0.012 0.000 1.064 459 I HN 0.005 nan 8.210 nan 0.000 0.414 460 K N 1.043 121.687 120.400 0.407 0.000 2.063 460 K HA -0.196 4.125 4.320 0.001 0.000 0.208 460 K C 2.051 178.780 176.600 0.216 0.000 1.048 460 K CA 1.446 57.959 56.287 0.376 0.000 0.928 460 K CB -0.173 32.428 32.500 0.168 0.000 0.713 460 K HN 0.280 nan 8.250 nan 0.000 0.442 461 K N 0.511 121.011 120.400 0.166 0.000 2.280 461 K HA -0.066 4.255 4.320 0.001 0.000 0.202 461 K C 1.597 178.345 176.600 0.247 0.000 1.047 461 K CA 1.435 57.819 56.287 0.162 0.000 0.942 461 K CB 0.112 32.679 32.500 0.111 0.000 0.739 461 K HN 0.133 nan 8.250 nan 0.000 0.457 462 S N -0.461 115.370 115.700 0.218 0.000 2.601 462 S HA 0.145 4.615 4.470 0.001 0.000 0.244 462 S C -0.090 174.736 174.600 0.377 0.000 1.001 462 S CA -0.735 57.652 58.200 0.312 0.000 0.984 462 S CB 0.600 63.861 63.200 0.101 0.000 0.842 462 S HN -0.135 nan 8.310 nan 0.000 0.474 463 T N 0.960 115.567 114.554 0.089 0.000 2.879 463 T HA 0.572 4.923 4.350 0.001 0.000 0.290 463 T C 0.774 175.119 174.700 -0.591 0.000 0.993 463 T CA -0.654 61.394 62.100 -0.088 0.000 0.975 463 T CB 1.584 70.587 68.868 0.226 0.000 0.981 463 T HN 0.261 nan 8.240 nan 0.000 0.439 464 G N 1.050 109.390 108.800 -0.766 0.000 3.210 464 G HA2 0.367 4.327 3.960 0.001 0.000 0.220 464 G HA3 0.367 4.327 3.960 0.001 0.000 0.220 464 G C 0.562 175.337 174.900 -0.208 0.000 1.200 464 G CA -0.044 44.708 45.100 -0.581 0.000 0.834 464 G HN 1.014 nan 8.290 nan 0.000 0.524 465 C N -2.452 116.754 119.300 -0.157 0.000 3.321 465 C HA 0.622 5.083 4.460 0.001 0.000 0.329 465 C C -0.718 174.251 174.990 -0.035 0.000 1.394 465 C CA -1.489 57.468 59.018 -0.102 0.000 1.291 465 C CB 1.390 29.041 27.740 -0.148 0.000 1.606 465 C HN 0.082 nan 8.230 nan 0.000 0.463 466 D N 0.425 120.781 120.400 -0.074 0.000 2.377 466 D HA 0.727 5.368 4.640 0.001 0.000 0.245 466 D C -0.510 175.776 176.300 -0.024 0.000 1.196 466 D CA 0.517 54.434 54.000 -0.139 0.000 0.962 466 D CB 0.983 41.694 40.800 -0.149 0.000 1.127 466 D HN 0.693 nan 8.370 nan 0.000 0.471 467 F N -1.951 117.995 119.950 -0.008 0.000 2.678 467 F HA 0.645 5.173 4.527 0.002 0.000 0.308 467 F C -0.882 174.957 175.800 0.066 0.000 1.118 467 F CA -1.471 56.547 58.000 0.030 0.000 0.959 467 F CB 0.595 39.685 39.000 0.150 0.000 1.305 467 F HN 0.269 nan 8.300 nan 0.000 0.443 468 A N 1.153 124.132 122.820 0.266 0.000 2.304 468 A HA 0.733 5.054 4.320 0.001 0.000 0.271 468 A C -0.917 176.866 177.584 0.331 0.000 1.091 468 A CA -0.692 51.451 52.037 0.177 0.000 0.812 468 A CB 0.908 19.987 19.000 0.132 0.000 1.056 468 A HN 0.828 nan 8.150 nan 0.000 0.489 469 V N 1.793 121.833 119.914 0.210 0.000 2.384 469 V HA 0.340 4.461 4.120 0.001 0.000 0.287 469 V C 0.769 176.934 176.094 0.118 0.000 1.020 469 V CA -0.418 62.009 62.300 0.212 0.000 0.850 469 V CB 1.245 33.168 31.823 0.167 0.000 0.987 469 V HN 0.988 nan 8.190 nan 0.000 0.436 470 S N 7.106 122.863 115.700 0.095 0.000 2.560 470 S HA 0.173 4.643 4.470 0.001 0.000 0.284 470 S C -0.824 173.800 174.600 0.040 0.000 1.327 470 S CA -0.697 57.538 58.200 0.058 0.000 1.055 470 S CB 0.874 64.096 63.200 0.036 0.000 0.868 470 S HN 0.714 nan 8.310 nan 0.000 0.506 471 P HA 0.086 nan 4.420 nan 0.000 0.237 471 P C 0.015 177.323 177.300 0.013 0.000 1.178 471 P CA 0.520 63.633 63.100 0.022 0.000 0.766 471 P CB 0.173 31.884 31.700 0.019 0.000 0.876 472 K N 0.067 120.474 120.400 0.012 0.000 2.514 472 K HA 0.200 4.521 4.320 0.001 0.000 0.207 472 K C 0.432 177.030 176.600 -0.003 0.000 1.035 472 K CA -1.100 55.189 56.287 0.003 0.000 1.113 472 K CB -0.482 32.021 32.500 0.004 0.000 0.846 472 K HN 0.123 nan 8.250 nan 0.000 0.491 473 L N 2.658 123.879 121.223 -0.002 0.000 2.601 473 L HA 0.025 4.365 4.340 0.001 0.000 0.277 473 L C 0.072 176.926 176.870 -0.026 0.000 1.219 473 L CA 0.495 55.326 54.840 -0.016 0.000 0.915 473 L CB -0.160 41.893 42.059 -0.009 0.000 1.160 473 L HN 0.217 nan 8.230 nan 0.000 0.494 474 I N 2.866 123.415 120.570 -0.035 0.000 2.957 474 I HA 0.670 4.841 4.170 0.001 0.000 0.310 474 I C -2.446 173.642 176.117 -0.049 0.000 1.063 474 I CA -2.839 58.438 61.300 -0.038 0.000 1.033 474 I CB 1.463 39.445 38.000 -0.031 0.000 1.230 474 I HN 0.393 nan 8.210 nan 0.000 0.447 475 P HA 0.066 nan 4.420 nan 0.000 0.267 475 P C -0.427 176.851 177.300 -0.037 0.000 1.200 475 P CA -0.126 62.922 63.100 -0.086 0.000 0.772 475 P CB 0.448 32.075 31.700 -0.122 0.000 0.855 476 M N 3.374 122.985 119.600 0.019 0.000 2.260 476 M HA -0.036 4.445 4.480 0.001 0.000 0.348 476 M C 0.310 176.668 176.300 0.097 0.000 1.342 476 M CA 0.344 55.699 55.300 0.092 0.000 1.040 476 M CB 0.204 32.944 32.600 0.233 0.000 1.810 476 M HN 0.315 nan 8.290 nan 0.000 0.453 477 Q N 3.618 123.446 119.800 0.047 0.000 2.368 477 Q HA 0.276 4.617 4.340 0.001 0.000 0.237 477 Q C -0.907 175.118 176.000 0.041 0.000 0.987 477 Q CA 0.068 55.890 55.803 0.032 0.000 0.896 477 Q CB 1.071 29.812 28.738 0.004 0.000 1.241 477 Q HN 0.601 nan 8.270 nan 0.000 0.485 478 Q N 0.530 120.345 119.800 0.025 0.000 2.289 478 Q HA 0.311 4.652 4.340 0.001 0.000 0.270 478 Q C -0.851 175.129 176.000 -0.032 0.000 1.038 478 Q CA -0.623 55.175 55.803 -0.008 0.000 0.812 478 Q CB 2.731 31.487 28.738 0.030 0.000 1.300 478 Q HN 0.484 nan 8.270 nan 0.000 0.427 479 V N 2.282 122.148 119.914 -0.081 0.000 2.872 479 V HA -0.037 4.084 4.120 0.001 0.000 0.307 479 V C 1.003 177.085 176.094 -0.020 0.000 1.072 479 V CA 1.222 63.497 62.300 -0.042 0.000 1.148 479 V CB 1.117 32.912 31.823 -0.048 0.000 0.954 479 V HN 0.935 nan 8.190 nan 0.000 0.490 480 T N 4.231 118.805 114.554 0.034 0.000 3.014 480 T HA 0.005 4.356 4.350 0.001 0.000 0.263 480 T C 0.955 175.715 174.700 0.101 0.000 1.078 480 T CA 1.030 63.161 62.100 0.052 0.000 1.135 480 T CB -0.221 68.672 68.868 0.042 0.000 0.895 480 T HN 0.898 nan 8.240 nan 0.000 0.480 481 T N 0.000 114.651 114.554 0.162 0.000 3.816 481 T HA 0.000 4.351 4.350 0.001 0.000 0.228 481 T CA 0.000 62.242 62.100 0.237 0.000 1.349 481 T CB 0.000 69.057 68.868 0.315 0.000 0.612 481 T HN 0.000 nan 8.240 nan 0.000 0.658