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 3oxo_1_E 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 ERLSVRXXXX DATA SEQUENCE XXXXXXXXXX XXXXRIIKRA 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 PKLIPMQQLE 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 0.000 174.699 174.700 -0.002 0.000 1.109 1 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 1 T CB 0.000 68.791 68.868 -0.128 0.000 0.612 2 K N 2.994 123.408 120.400 0.023 0.000 2.248 2 K HA 0.585 4.905 4.320 0.000 0.000 0.281 2 K C -0.896 175.704 176.600 0.000 0.000 1.054 2 K CA -0.539 55.781 56.287 0.053 0.000 0.903 2 K CB 0.424 32.963 32.500 0.066 0.000 1.077 2 K HN 0.367 nan 8.250 nan 0.000 0.474 3 F N 3.678 123.617 119.950 -0.018 0.000 2.384 3 F HA 0.284 4.811 4.527 0.000 0.000 0.338 3 F C -0.270 175.467 175.800 -0.105 0.000 1.103 3 F CA -0.044 57.980 58.000 0.039 0.000 1.157 3 F CB 0.633 39.643 39.000 0.016 0.000 1.167 3 F HN 0.410 nan 8.300 nan 0.000 0.529 4 Y N -0.297 120.111 120.300 0.181 0.000 2.485 4 Y HA 0.307 4.857 4.550 -0.000 0.000 0.345 4 Y C 1.071 177.043 175.900 0.121 0.000 0.998 4 Y CA -0.943 57.231 58.100 0.122 0.000 1.059 4 Y CB 1.963 40.470 38.460 0.077 0.000 1.234 4 Y HN 0.609 nan 8.280 nan 0.000 0.461 5 T N -3.475 111.215 114.554 0.226 0.000 3.037 5 T HA 0.100 4.450 4.350 0.000 0.000 0.252 5 T C -0.097 174.686 174.700 0.138 0.000 1.073 5 T CA 0.318 62.510 62.100 0.154 0.000 1.091 5 T CB 0.150 69.076 68.868 0.097 0.000 0.935 5 T HN 0.440 nan 8.240 nan 0.000 0.488 6 D N 0.344 120.845 120.400 0.167 0.000 2.502 6 D HA 0.685 5.325 4.640 0.000 0.000 0.249 6 D C 0.944 177.300 176.300 0.094 0.000 1.092 6 D CA -0.425 53.643 54.000 0.113 0.000 0.839 6 D CB 1.758 42.618 40.800 0.100 0.000 1.264 6 D HN 0.051 nan 8.370 nan 0.000 0.511 7 A N 2.964 125.805 122.820 0.035 0.000 1.930 7 A HA -0.052 4.268 4.320 0.000 0.000 0.217 7 A C 2.034 179.588 177.584 -0.050 0.000 1.175 7 A CA 1.165 53.190 52.037 -0.019 0.000 0.627 7 A CB -0.439 18.546 19.000 -0.025 0.000 0.815 7 A HN 0.502 nan 8.150 nan 0.000 0.443 8 V N -0.056 119.844 119.914 -0.022 0.000 2.407 8 V HA -0.232 3.888 4.120 0.000 0.000 0.248 8 V C 2.529 178.608 176.094 -0.025 0.000 1.055 8 V CA 2.327 64.609 62.300 -0.030 0.000 1.049 8 V CB -0.686 31.130 31.823 -0.012 0.000 0.662 8 V HN 0.649 nan 8.190 nan 0.000 0.455 9 E N 0.610 120.824 120.200 0.023 0.000 2.153 9 E HA -0.155 4.195 4.350 0.000 0.000 0.194 9 E C 2.120 178.707 176.600 -0.021 0.000 0.988 9 E CA 1.381 57.832 56.400 0.085 0.000 0.811 9 E CB -0.411 29.423 29.700 0.224 0.000 0.746 9 E HN 0.558 nan 8.360 nan 0.000 0.466 10 A N -0.262 122.395 122.820 -0.271 0.000 2.066 10 A HA -0.048 4.272 4.320 0.000 0.000 0.218 10 A C 1.931 179.331 177.584 -0.306 0.000 1.157 10 A CA 1.477 53.097 52.037 -0.695 0.000 0.670 10 A CB -0.109 18.457 19.000 -0.724 0.000 0.804 10 A HN 0.303 nan 8.150 nan 0.000 0.453 11 V N -2.972 116.832 119.914 -0.184 0.000 3.432 11 V HA 0.169 4.289 4.120 0.000 0.000 0.298 11 V C 1.413 177.398 176.094 -0.182 0.000 1.464 11 V CA 0.615 62.805 62.300 -0.184 0.000 1.046 11 V CB -0.477 31.240 31.823 -0.176 0.000 0.887 11 V HN 0.583 nan 8.190 nan 0.000 0.441 12 K N 2.125 122.464 120.400 -0.102 0.000 2.362 12 K HA -0.113 4.207 4.320 0.000 0.000 0.200 12 K C 1.159 177.714 176.600 -0.074 0.000 1.046 12 K CA 1.715 57.958 56.287 -0.073 0.000 0.952 12 K CB -0.342 32.146 32.500 -0.021 0.000 0.753 12 K HN 0.630 nan 8.250 nan 0.000 0.466 13 D N 1.188 121.545 120.400 -0.072 0.000 2.342 13 D HA 0.028 4.668 4.640 0.000 0.000 0.221 13 D C 0.347 176.584 176.300 -0.106 0.000 1.101 13 D CA -0.324 53.665 54.000 -0.019 0.000 0.837 13 D CB -0.139 40.721 40.800 0.099 0.000 0.938 13 D HN 0.252 nan 8.370 nan 0.000 0.508 14 I N 2.928 123.277 120.570 -0.368 0.000 2.517 14 I HA 0.098 4.268 4.170 0.000 0.000 0.285 14 I C -1.823 174.174 176.117 -0.199 0.000 1.106 14 I CA -1.448 59.517 61.300 -0.559 0.000 1.402 14 I CB 0.628 38.176 38.000 -0.754 0.000 1.399 14 I HN -0.174 nan 8.210 nan 0.000 0.535 15 P HA 0.138 nan 4.420 nan 0.000 0.276 15 P C -0.926 176.359 177.300 -0.025 0.000 1.244 15 P CA -0.594 62.498 63.100 -0.014 0.000 0.801 15 P CB 0.549 32.276 31.700 0.045 0.000 1.006 16 N N 0.276 118.965 118.700 -0.018 0.000 2.454 16 N HA 0.186 4.926 4.740 0.000 0.000 0.254 16 N C 1.594 177.104 175.510 -0.000 0.000 1.228 16 N CA 1.393 54.434 53.050 -0.016 0.000 0.900 16 N CB -0.386 38.094 38.487 -0.012 0.000 1.089 16 N HN 0.806 nan 8.380 nan 0.000 0.449 17 G N -0.597 108.202 108.800 -0.001 0.000 2.179 17 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 17 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 17 G C 0.337 175.251 174.900 0.024 0.000 0.977 17 G CA 0.389 45.494 45.100 0.009 0.000 0.641 17 G HN 0.937 nan 8.290 nan 0.000 0.533 18 A N -0.059 122.779 122.820 0.030 0.000 2.466 18 A HA 0.603 4.923 4.320 0.000 0.000 0.238 18 A C 0.767 178.389 177.584 0.063 0.000 1.074 18 A CA 1.279 53.357 52.037 0.069 0.000 0.774 18 A CB 0.309 19.363 19.000 0.090 0.000 1.015 18 A HN 0.789 nan 8.150 nan 0.000 0.498 19 T N 1.754 116.360 114.554 0.087 0.000 2.743 19 T HA 0.477 4.827 4.350 0.000 0.000 0.293 19 T C -0.407 174.356 174.700 0.106 0.000 0.945 19 T CA -0.127 62.017 62.100 0.072 0.000 1.030 19 T CB 0.495 69.399 68.868 0.060 0.000 0.912 19 T HN 0.425 nan 8.240 nan 0.000 0.483 20 V N 5.719 125.680 119.914 0.078 0.000 2.444 20 V HA 0.390 4.510 4.120 0.000 0.000 0.294 20 V C 0.010 176.142 176.094 0.062 0.000 1.022 20 V CA -0.975 61.382 62.300 0.094 0.000 0.850 20 V CB 1.454 33.310 31.823 0.055 0.000 0.992 20 V HN 0.754 nan 8.190 nan 0.000 0.426 21 L N 5.197 126.465 121.223 0.075 0.000 2.349 21 L HA 0.577 4.917 4.340 0.000 0.000 0.275 21 L C -0.493 176.405 176.870 0.047 0.000 1.115 21 L CA -0.468 54.404 54.840 0.052 0.000 0.820 21 L CB 1.161 43.258 42.059 0.062 0.000 1.135 21 L HN 0.355 nan 8.230 nan 0.000 0.445 22 V N 1.887 121.813 119.914 0.021 0.000 2.443 22 V HA 0.433 4.553 4.120 0.000 0.000 0.293 22 V C 0.691 176.799 176.094 0.024 0.000 1.021 22 V CA -0.699 61.612 62.300 0.019 0.000 0.848 22 V CB 1.425 33.244 31.823 -0.007 0.000 0.998 22 V HN 0.904 nan 8.190 nan 0.000 0.424 23 G N 2.437 111.277 108.800 0.067 0.000 2.544 23 G HA2 0.563 4.523 3.960 0.000 0.000 0.242 23 G HA3 0.563 4.523 3.960 0.000 0.000 0.242 23 G C 0.280 175.236 174.900 0.094 0.000 1.247 23 G CA 0.509 45.675 45.100 0.109 0.000 0.840 23 G HN 1.639 nan 8.290 nan 0.000 0.578 24 G N -0.882 108.007 108.800 0.147 0.000 2.326 24 G HA2 0.358 4.318 3.960 0.000 0.000 0.478 24 G HA3 0.358 4.318 3.960 0.000 0.000 0.478 24 G C -1.303 173.726 174.900 0.216 0.000 1.551 24 G CA -0.846 44.346 45.100 0.153 0.000 0.946 24 G HN 1.007 nan 8.290 nan 0.000 0.671 25 F N 3.028 123.035 119.950 0.095 0.000 2.403 25 F HA 0.563 5.090 4.527 0.000 0.000 0.355 25 F C 1.190 177.033 175.800 0.072 0.000 1.119 25 F CA 1.360 59.421 58.000 0.102 0.000 1.007 25 F CB 1.120 40.195 39.000 0.126 0.000 1.194 25 F HN 1.928 nan 8.300 nan 0.000 0.443 26 G N 5.110 113.729 108.800 -0.303 0.000 2.646 26 G HA2 -0.351 3.609 3.960 0.000 0.000 0.324 26 G HA3 -0.351 3.609 3.960 0.000 0.000 0.324 26 G C 0.573 175.473 174.900 -0.001 0.000 1.195 26 G CA 0.652 45.660 45.100 -0.154 0.000 0.976 26 G HN 0.689 nan 8.290 nan 0.000 0.546 27 L N 0.374 121.640 121.223 0.071 0.000 2.728 27 L HA 0.335 4.675 4.340 0.000 0.000 0.238 27 L C 1.156 178.112 176.870 0.142 0.000 1.143 27 L CA -0.320 54.598 54.840 0.131 0.000 0.937 27 L CB 0.817 42.983 42.059 0.178 0.000 1.225 27 L HN 0.521 nan 8.230 nan 0.000 0.507 28 C N 1.631 121.019 119.300 0.147 0.000 2.303 28 C HA 0.567 5.027 4.460 0.000 0.000 0.341 28 C C 1.587 176.661 174.990 0.141 0.000 1.244 28 C CA 0.231 59.333 59.018 0.140 0.000 1.765 28 C CB -0.968 26.871 27.740 0.165 0.000 2.379 28 C HN 0.828 nan 8.230 nan 0.000 0.530 29 G N 6.080 114.949 108.800 0.115 0.000 2.256 29 G HA2 -0.204 3.756 3.960 0.000 0.000 0.272 29 G HA3 -0.204 3.756 3.960 0.000 0.000 0.272 29 G C -0.184 174.801 174.900 0.141 0.000 1.076 29 G CA 0.475 45.653 45.100 0.129 0.000 0.882 29 G HN 1.379 nan 8.290 nan 0.000 0.497 30 I N -1.939 118.709 120.570 0.130 0.000 2.428 30 I HA 0.663 4.833 4.170 0.000 0.000 0.296 30 I C -1.935 174.247 176.117 0.109 0.000 0.985 30 I CA -3.182 58.174 61.300 0.093 0.000 1.260 30 I CB 1.775 39.799 38.000 0.040 0.000 1.389 30 I HN -0.078 nan 8.210 nan 0.000 0.484 31 P HA 0.103 nan 4.420 nan 0.000 0.238 31 P C 0.198 177.507 177.300 0.016 0.000 1.794 31 P CA -0.138 63.014 63.100 0.087 0.000 1.088 31 P CB 0.145 31.886 31.700 0.068 0.000 1.923 32 E N 1.825 122.037 120.200 0.020 0.000 2.150 32 E HA -0.177 4.173 4.350 0.000 0.000 0.193 32 E C 0.969 177.504 176.600 -0.108 0.000 0.985 32 E CA 0.757 57.089 56.400 -0.112 0.000 0.814 32 E CB -0.452 29.202 29.700 -0.077 0.000 0.752 32 E HN 0.290 nan 8.360 nan 0.000 0.466 33 N N 0.858 119.507 118.700 -0.085 0.000 2.300 33 N HA -0.027 4.713 4.740 0.000 0.000 0.179 33 N C 2.067 177.538 175.510 -0.065 0.000 1.016 33 N CA 0.876 53.866 53.050 -0.101 0.000 0.876 33 N CB 0.041 38.444 38.487 -0.140 0.000 0.979 33 N HN 0.257 nan 8.380 nan 0.000 0.432 34 L N 0.946 122.143 121.223 -0.043 0.000 2.072 34 L HA -0.008 4.332 4.340 0.000 0.000 0.205 34 L C 2.263 179.094 176.870 -0.063 0.000 1.079 34 L CA 0.652 55.464 54.840 -0.045 0.000 0.752 34 L CB -0.313 41.734 42.059 -0.021 0.000 0.906 34 L HN 0.048 nan 8.230 nan 0.000 0.436 35 I N 0.135 120.660 120.570 -0.074 0.000 2.226 35 I HA -0.222 3.948 4.170 0.000 0.000 0.245 35 I C 2.607 178.668 176.117 -0.093 0.000 1.100 35 I CA 1.491 62.734 61.300 -0.094 0.000 1.374 35 I CB -0.781 37.136 38.000 -0.137 0.000 1.057 35 I HN 0.279 nan 8.210 nan 0.000 0.413 36 G N 0.393 109.137 108.800 -0.094 0.000 2.422 36 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 36 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 36 G C 1.836 176.703 174.900 -0.055 0.000 1.146 36 G CA 0.774 45.832 45.100 -0.070 0.000 0.769 36 G HN 0.497 nan 8.290 nan 0.000 0.547 37 A N 0.322 123.107 122.820 -0.058 0.000 2.015 37 A HA 0.197 4.517 4.320 0.000 0.000 0.219 37 A C 2.345 179.891 177.584 -0.063 0.000 1.163 37 A CA 0.856 52.859 52.037 -0.055 0.000 0.646 37 A CB -0.267 18.697 19.000 -0.060 0.000 0.806 37 A HN 0.360 nan 8.150 nan 0.000 0.448 38 L N -0.698 120.482 121.223 -0.071 0.000 2.217 38 L HA -0.088 4.252 4.340 0.000 0.000 0.211 38 L C 2.329 179.163 176.870 -0.060 0.000 1.107 38 L CA 0.515 55.309 54.840 -0.076 0.000 0.783 38 L CB -0.391 41.619 42.059 -0.082 0.000 0.919 38 L HN 0.397 nan 8.230 nan 0.000 0.442 39 L N -0.371 120.821 121.223 -0.051 0.000 2.056 39 L HA -0.216 4.124 4.340 0.000 0.000 0.207 39 L C 2.573 179.424 176.870 -0.032 0.000 1.078 39 L CA 1.404 56.221 54.840 -0.038 0.000 0.749 39 L CB -0.402 41.638 42.059 -0.032 0.000 0.901 39 L HN 0.201 nan 8.230 nan 0.000 0.433 40 K N -0.387 119.993 120.400 -0.033 0.000 2.057 40 K HA -0.135 4.185 4.320 0.000 0.000 0.206 40 K C 2.193 178.775 176.600 -0.029 0.000 1.050 40 K CA 1.886 58.157 56.287 -0.026 0.000 0.935 40 K CB -0.381 32.105 32.500 -0.023 0.000 0.715 40 K HN 0.452 nan 8.250 nan 0.000 0.439 41 T N -2.039 112.491 114.554 -0.041 0.000 2.821 41 T HA -0.036 4.314 4.350 0.000 0.000 0.267 41 T C 1.618 176.293 174.700 -0.041 0.000 1.046 41 T CA 1.165 63.238 62.100 -0.045 0.000 1.139 41 T CB -0.457 68.371 68.868 -0.066 0.000 0.871 41 T HN 0.395 nan 8.240 nan 0.000 0.454 42 G N 0.700 109.474 108.800 -0.043 0.000 2.147 42 G HA2 -0.215 3.745 3.960 0.000 0.000 0.244 42 G HA3 -0.215 3.745 3.960 0.000 0.000 0.244 42 G C 0.208 175.083 174.900 -0.041 0.000 1.005 42 G CA 0.146 45.224 45.100 -0.037 0.000 0.713 42 G HN 1.020 nan 8.290 nan 0.000 0.515 43 V N 0.727 120.607 119.914 -0.056 0.000 2.788 43 V HA 0.520 4.640 4.120 0.000 0.000 0.307 43 V C 0.752 176.817 176.094 -0.049 0.000 1.069 43 V CA 1.230 63.494 62.300 -0.061 0.000 1.173 43 V CB 0.684 32.451 31.823 -0.094 0.000 0.925 43 V HN 0.753 nan 8.190 nan 0.000 0.492 44 K N 3.366 123.743 120.400 -0.039 0.000 2.439 44 K HA 0.637 4.957 4.320 0.000 0.000 0.260 44 K C -0.061 176.524 176.600 -0.024 0.000 1.032 44 K CA -0.698 55.571 56.287 -0.030 0.000 0.882 44 K CB 1.412 33.898 32.500 -0.024 0.000 1.420 44 K HN 0.494 nan 8.250 nan 0.000 0.455 45 E N 0.269 120.456 120.200 -0.021 0.000 2.791 45 E HA -0.194 4.156 4.350 0.000 0.000 0.271 45 E C -0.690 175.902 176.600 -0.013 0.000 1.044 45 E CA 0.378 56.769 56.400 -0.015 0.000 0.814 45 E CB -1.467 28.227 29.700 -0.010 0.000 1.400 45 E HN 0.381 nan 8.360 nan 0.000 0.423 46 L N 0.768 121.981 121.223 -0.018 0.000 2.456 46 L HA 0.102 4.442 4.340 0.000 0.000 0.272 46 L C 0.848 177.714 176.870 -0.007 0.000 1.189 46 L CA 0.496 55.329 54.840 -0.012 0.000 0.846 46 L CB 0.501 42.547 42.059 -0.021 0.000 1.111 46 L HN -0.066 nan 8.230 nan 0.000 0.475 47 T N 2.809 117.365 114.554 0.004 0.000 2.811 47 T HA 0.435 4.785 4.350 0.000 0.000 0.309 47 T C 0.177 174.882 174.700 0.008 0.000 1.005 47 T CA -0.453 61.650 62.100 0.004 0.000 0.955 47 T CB 0.796 69.671 68.868 0.011 0.000 0.970 47 T HN 0.646 nan 8.240 nan 0.000 0.496 48 A N 3.985 126.806 122.820 0.001 0.000 2.260 48 A HA 0.581 4.901 4.320 0.000 0.000 0.312 48 A C 0.142 177.724 177.584 -0.004 0.000 1.321 48 A CA -0.603 51.434 52.037 0.001 0.000 0.928 48 A CB 0.263 19.262 19.000 -0.003 0.000 1.158 48 A HN 0.662 nan 8.150 nan 0.000 0.542 49 V N 2.899 122.810 119.914 -0.004 0.000 2.368 49 V HA 0.555 4.675 4.120 0.000 0.000 0.266 49 V C 0.495 176.554 176.094 -0.059 0.000 1.045 49 V CA 0.199 62.485 62.300 -0.023 0.000 0.899 49 V CB 0.493 32.316 31.823 -0.000 0.000 1.006 49 V HN 0.885 nan 8.190 nan 0.000 0.470 50 S N 3.318 118.951 115.700 -0.113 0.000 2.535 50 S HA 0.337 4.807 4.470 0.000 0.000 0.272 50 S C 0.608 175.039 174.600 -0.283 0.000 1.149 50 S CA -0.609 57.485 58.200 -0.177 0.000 0.888 50 S CB 1.751 64.890 63.200 -0.102 0.000 1.110 50 S HN 0.746 nan 8.310 nan 0.000 0.463 51 N N 3.330 121.750 118.700 -0.466 0.000 2.084 51 N HA 0.030 4.770 4.740 0.000 0.000 0.190 51 N C 0.205 175.552 175.510 -0.272 0.000 1.030 51 N CA 1.751 54.495 53.050 -0.510 0.000 0.849 51 N CB -0.072 38.017 38.487 -0.663 0.000 1.012 51 N HN 0.700 nan 8.380 nan 0.000 0.423 52 N N -2.142 116.412 118.700 -0.243 0.000 2.701 52 N HA 0.578 5.318 4.740 0.000 0.000 0.290 52 N C -1.098 174.291 175.510 -0.201 0.000 1.338 52 N CA -0.426 52.480 53.050 -0.239 0.000 0.799 52 N CB 1.510 39.854 38.487 -0.238 0.000 1.491 52 N HN 0.065 nan 8.380 nan 0.000 0.540 53 A N 0.111 122.783 122.820 -0.246 0.000 2.577 53 A HA 0.619 4.939 4.320 0.000 0.000 0.280 53 A C 1.070 178.617 177.584 -0.062 0.000 1.331 53 A CA 0.281 52.252 52.037 -0.111 0.000 0.935 53 A CB -1.307 17.636 19.000 -0.095 0.000 1.082 53 A HN 0.934 nan 8.150 nan 0.000 0.525 54 G N -0.437 108.316 108.800 -0.077 0.000 2.596 54 G HA2 -0.129 3.831 3.960 0.000 0.000 0.295 54 G HA3 -0.129 3.831 3.960 0.000 0.000 0.295 54 G C 0.483 175.380 174.900 -0.006 0.000 1.240 54 G CA 1.098 46.183 45.100 -0.025 0.000 0.985 54 G HN 1.823 nan 8.290 nan 0.000 0.555 55 V N -2.997 116.950 119.914 0.055 0.000 3.166 55 V HA 0.776 4.896 4.120 0.000 0.000 0.317 55 V C 1.229 177.367 176.094 0.074 0.000 1.136 55 V CA 0.744 63.079 62.300 0.059 0.000 1.035 55 V CB 1.344 33.217 31.823 0.083 0.000 1.110 55 V HN 0.688 nan 8.190 nan 0.000 0.450 56 D N 0.560 120.998 120.400 0.064 0.000 2.149 56 D HA -0.163 4.477 4.640 0.000 0.000 0.194 56 D C 1.154 177.502 176.300 0.079 0.000 1.001 56 D CA 2.371 56.411 54.000 0.066 0.000 0.849 56 D CB -0.091 40.739 40.800 0.051 0.000 0.939 56 D HN 0.702 nan 8.370 nan 0.000 0.449 57 N N -1.227 117.537 118.700 0.106 0.000 2.238 57 N HA 0.170 4.910 4.740 0.000 0.000 0.235 57 N C -0.887 174.779 175.510 0.260 0.000 1.209 57 N CA -0.103 53.026 53.050 0.132 0.000 0.879 57 N CB 1.279 39.824 38.487 0.095 0.000 1.136 57 N HN 0.055 nan 8.380 nan 0.000 0.517 58 F N -0.178 119.778 119.950 0.011 0.000 2.713 58 F HA 0.521 5.048 4.527 0.000 0.000 0.311 58 F C 0.787 176.594 175.800 0.012 0.000 1.141 58 F CA 0.337 58.344 58.000 0.012 0.000 0.939 58 F CB 0.929 39.937 39.000 0.014 0.000 1.325 58 F HN 0.140 nan 8.300 nan 0.000 0.453 59 G N 2.257 110.725 108.800 -0.552 0.000 2.550 59 G HA2 -0.339 3.621 3.960 0.000 0.000 0.277 59 G HA3 -0.339 3.621 3.960 0.000 0.000 0.277 59 G C 0.444 175.233 174.900 -0.185 0.000 1.190 59 G CA 0.326 45.228 45.100 -0.330 0.000 0.971 59 G HN 1.145 nan 8.290 nan 0.000 0.559 60 L N 2.321 123.488 121.223 -0.093 0.000 2.275 60 L HA 0.261 4.601 4.340 0.000 0.000 0.215 60 L C 3.027 179.890 176.870 -0.012 0.000 1.119 60 L CA 2.903 57.712 54.840 -0.050 0.000 0.790 60 L CB -0.852 41.191 42.059 -0.027 0.000 0.919 60 L HN 0.978 nan 8.230 nan 0.000 0.443 61 G N -0.651 108.153 108.800 0.007 0.000 2.450 61 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 61 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 61 G C 1.588 176.503 174.900 0.026 0.000 1.130 61 G CA 0.968 46.094 45.100 0.043 0.000 0.760 61 G HN 0.419 nan 8.290 nan 0.000 0.557 62 L N -0.267 120.955 121.223 -0.003 0.000 2.079 62 L HA -0.043 4.297 4.340 0.000 0.000 0.210 62 L C 2.785 179.647 176.870 -0.014 0.000 1.081 62 L CA 0.724 55.560 54.840 -0.007 0.000 0.752 62 L CB -0.301 41.733 42.059 -0.041 0.000 0.896 62 L HN 0.205 nan 8.230 nan 0.000 0.433 63 L N -0.959 120.249 121.223 -0.025 0.000 2.313 63 L HA -0.134 4.206 4.340 0.000 0.000 0.214 63 L C 2.327 179.188 176.870 -0.015 0.000 1.119 63 L CA 0.546 55.371 54.840 -0.025 0.000 0.809 63 L CB -0.207 41.832 42.059 -0.034 0.000 0.933 63 L HN 0.278 nan 8.230 nan 0.000 0.449 64 L N -0.856 120.367 121.223 -0.001 0.000 2.156 64 L HA -0.166 4.174 4.340 0.000 0.000 0.208 64 L C 2.560 179.428 176.870 -0.002 0.000 1.095 64 L CA 0.746 55.584 54.840 -0.002 0.000 0.770 64 L CB -0.226 41.847 42.059 0.023 0.000 0.914 64 L HN 0.237 nan 8.230 nan 0.000 0.439 65 Q N 0.149 119.954 119.800 0.008 0.000 2.124 65 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 65 Q C 2.191 178.191 176.000 -0.000 0.000 0.977 65 Q CA 1.897 57.705 55.803 0.009 0.000 0.850 65 Q CB 0.004 28.753 28.738 0.018 0.000 0.901 65 Q HN 0.510 nan 8.270 nan 0.000 0.429 66 S N -1.069 114.628 115.700 -0.006 0.000 2.593 66 S HA 0.146 4.616 4.470 0.000 0.000 0.217 66 S C 0.188 174.779 174.600 -0.015 0.000 0.966 66 S CA 0.061 58.255 58.200 -0.010 0.000 0.914 66 S CB 0.040 63.232 63.200 -0.014 0.000 0.776 66 S HN 0.338 nan 8.310 nan 0.000 0.523 67 K N 0.488 120.878 120.400 -0.017 0.000 3.069 67 K HA -0.235 4.085 4.320 0.000 0.000 0.267 67 K C 0.591 177.177 176.600 -0.024 0.000 1.082 67 K CA 0.963 57.237 56.287 -0.022 0.000 0.782 67 K CB -1.650 30.839 32.500 -0.019 0.000 1.230 67 K HN 0.595 nan 8.250 nan 0.000 0.488 68 Q N -0.208 119.576 119.800 -0.025 0.000 2.451 68 Q HA 0.133 4.473 4.340 0.000 0.000 0.206 68 Q C 0.335 176.317 176.000 -0.029 0.000 0.947 68 Q CA 0.489 56.275 55.803 -0.029 0.000 0.937 68 Q CB 0.339 29.057 28.738 -0.033 0.000 1.025 68 Q HN 0.437 nan 8.270 nan 0.000 0.511 69 I N 0.830 121.382 120.570 -0.030 0.000 2.354 69 I HA 0.106 4.276 4.170 0.000 0.000 0.292 69 I C 0.863 176.958 176.117 -0.037 0.000 0.989 69 I CA -0.260 61.021 61.300 -0.031 0.000 1.188 69 I CB 1.565 39.548 38.000 -0.029 0.000 1.342 69 I HN -0.040 nan 8.210 nan 0.000 0.457 70 K N 5.886 126.269 120.400 -0.030 0.000 2.121 70 K HA 0.160 4.480 4.320 0.000 0.000 0.203 70 K C 0.810 177.389 176.600 -0.035 0.000 1.041 70 K CA 0.521 56.791 56.287 -0.028 0.000 0.969 70 K CB 0.515 33.005 32.500 -0.017 0.000 0.799 70 K HN 0.525 nan 8.250 nan 0.000 0.456 71 R N 0.587 121.070 120.500 -0.029 0.000 2.686 71 R HA 0.281 4.621 4.340 0.000 0.000 0.286 71 R C -1.170 175.114 176.300 -0.027 0.000 0.969 71 R CA -0.613 55.468 56.100 -0.031 0.000 0.898 71 R CB 1.306 31.596 30.300 -0.016 0.000 1.183 71 R HN 0.043 nan 8.270 nan 0.000 0.456 72 M N 5.516 125.096 119.600 -0.032 0.000 2.268 72 M HA 0.400 4.880 4.480 0.000 0.000 0.344 72 M C -0.709 175.594 176.300 0.006 0.000 1.106 72 M CA -0.542 54.766 55.300 0.013 0.000 1.010 72 M CB 1.612 34.274 32.600 0.104 0.000 1.649 72 M HN 0.548 nan 8.290 nan 0.000 0.443 73 I N 2.334 122.902 120.570 -0.003 0.000 2.359 73 I HA 0.404 4.574 4.170 0.000 0.000 0.284 73 I C -0.226 175.864 176.117 -0.045 0.000 1.018 73 I CA -0.085 61.204 61.300 -0.019 0.000 1.173 73 I CB 1.131 39.121 38.000 -0.016 0.000 1.326 73 I HN 0.592 nan 8.210 nan 0.000 0.462 74 S N 2.060 117.730 115.700 -0.050 0.000 2.596 74 S HA 0.303 4.773 4.470 0.000 0.000 0.270 74 S C 0.462 175.016 174.600 -0.077 0.000 1.155 74 S CA -0.556 57.589 58.200 -0.093 0.000 0.827 74 S CB 2.078 65.218 63.200 -0.099 0.000 1.130 74 S HN 0.703 nan 8.310 nan 0.000 0.467 75 S N -0.022 115.633 115.700 -0.075 0.000 2.499 75 S HA 0.284 4.754 4.470 0.000 0.000 0.225 75 S C -0.186 174.466 174.600 0.086 0.000 1.050 75 S CA 0.101 58.298 58.200 -0.005 0.000 0.928 75 S CB -0.005 63.211 63.200 0.026 0.000 0.803 75 S HN 0.713 nan 8.310 nan 0.000 0.506 76 Y N 0.470 120.685 120.300 -0.143 0.000 2.401 76 Y HA 0.539 5.089 4.550 -0.000 0.000 0.330 76 Y C 0.333 176.056 175.900 -0.295 0.000 1.071 76 Y CA -1.151 56.860 58.100 -0.149 0.000 1.049 76 Y CB 1.559 39.959 38.460 -0.100 0.000 1.239 76 Y HN -0.136 nan 8.280 nan 0.000 0.437 77 V N 4.877 124.268 119.914 -0.871 0.000 2.302 77 V HA 0.142 4.262 4.120 0.000 0.000 0.243 77 V C 1.555 177.128 176.094 -0.868 0.000 1.036 77 V CA 1.945 63.647 62.300 -0.997 0.000 1.020 77 V CB -1.120 30.220 31.823 -0.805 0.000 0.657 77 V HN 1.261 nan 8.190 nan 0.000 0.453 78 G N 0.761 108.866 108.800 -1.157 0.000 2.527 78 G HA2 -0.245 3.715 3.960 0.000 0.000 0.268 78 G HA3 -0.245 3.715 3.960 0.000 0.000 0.268 78 G C -0.094 174.644 174.900 -0.270 0.000 1.175 78 G CA 0.183 44.888 45.100 -0.657 0.000 0.962 78 G HN 0.427 nan 8.290 nan 0.000 0.560 79 E N 2.065 122.194 120.200 -0.118 0.000 2.341 79 E HA 0.278 4.628 4.350 0.000 0.000 0.279 79 E C 0.130 176.705 176.600 -0.042 0.000 1.395 79 E CA -0.309 56.061 56.400 -0.050 0.000 1.648 79 E CB -0.021 29.677 29.700 -0.002 0.000 1.524 79 E HN 0.400 nan 8.360 nan 0.000 0.462 80 N N 0.739 119.402 118.700 -0.062 0.000 2.623 80 N HA 0.225 4.965 4.740 0.000 0.000 0.256 80 N C 0.402 175.949 175.510 0.061 0.000 1.045 80 N CA -0.143 52.910 53.050 0.005 0.000 0.863 80 N CB 1.299 39.786 38.487 0.001 0.000 1.182 80 N HN 0.084 nan 8.380 nan 0.000 0.523 81 A N 2.424 125.276 122.820 0.053 0.000 1.933 81 A HA -0.155 4.165 4.320 0.000 0.000 0.218 81 A C 1.850 179.486 177.584 0.086 0.000 1.175 81 A CA 1.529 53.603 52.037 0.061 0.000 0.628 81 A CB -0.254 18.767 19.000 0.036 0.000 0.814 81 A HN 0.664 nan 8.150 nan 0.000 0.444 82 E N -0.585 119.668 120.200 0.087 0.000 2.077 82 E HA -0.182 4.168 4.350 0.000 0.000 0.193 82 E C 1.623 178.290 176.600 0.112 0.000 0.989 82 E CA 1.478 57.926 56.400 0.079 0.000 0.800 82 E CB -0.512 29.227 29.700 0.064 0.000 0.746 82 E HN 0.591 nan 8.360 nan 0.000 0.452 83 F N 1.198 121.152 119.950 0.006 0.000 2.069 83 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 83 F C 2.346 178.184 175.800 0.063 0.000 1.113 83 F CA 2.239 60.245 58.000 0.011 0.000 1.214 83 F CB -0.225 38.756 39.000 -0.032 0.000 0.978 83 F HN 0.125 nan 8.300 nan 0.000 0.474 84 E N 0.144 120.596 120.200 0.420 0.000 2.085 84 E HA -0.288 4.062 4.350 0.000 0.000 0.194 84 E C 2.491 179.190 176.600 0.164 0.000 0.994 84 E CA 1.277 57.875 56.400 0.330 0.000 0.801 84 E CB -0.253 29.566 29.700 0.198 0.000 0.743 84 E HN 0.377 nan 8.360 nan 0.000 0.453 85 R N 0.231 120.785 120.500 0.091 0.000 2.070 85 R HA -0.191 4.149 4.340 0.000 0.000 0.232 85 R C 2.435 178.738 176.300 0.005 0.000 1.138 85 R CA 2.046 58.163 56.100 0.027 0.000 0.936 85 R CB -0.166 30.145 30.300 0.018 0.000 0.839 85 R HN 0.279 nan 8.270 nan 0.000 0.429 86 Q N -0.917 118.879 119.800 -0.007 0.000 2.096 86 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 86 Q C 1.939 177.937 176.000 -0.003 0.000 0.982 86 Q CA 1.855 57.636 55.803 -0.036 0.000 0.850 86 Q CB -0.280 28.405 28.738 -0.089 0.000 0.901 86 Q HN 0.413 nan 8.270 nan 0.000 0.422 87 Y N 1.116 121.319 120.300 -0.162 0.000 2.133 87 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 87 Y C 1.772 177.726 175.900 0.090 0.000 1.134 87 Y CA 1.278 59.328 58.100 -0.084 0.000 1.133 87 Y CB -0.385 38.011 38.460 -0.106 0.000 0.987 87 Y HN 0.002 nan 8.280 nan 0.000 0.502 88 L N -0.275 120.873 121.223 -0.125 0.000 2.141 88 L HA -0.137 4.203 4.340 0.000 0.000 0.209 88 L C 2.619 179.345 176.870 -0.239 0.000 1.094 88 L CA 1.036 55.679 54.840 -0.329 0.000 0.763 88 L CB -0.793 41.114 42.059 -0.254 0.000 0.908 88 L HN 0.307 nan 8.230 nan 0.000 0.437 89 A N -0.501 122.255 122.820 -0.106 0.000 2.066 89 A HA 0.160 4.480 4.320 0.000 0.000 0.218 89 A C 1.819 179.383 177.584 -0.034 0.000 1.157 89 A CA 1.038 53.032 52.037 -0.072 0.000 0.670 89 A CB -0.418 18.555 19.000 -0.045 0.000 0.804 89 A HN 0.524 nan 8.150 nan 0.000 0.453 90 G N -1.121 107.683 108.800 0.006 0.000 2.141 90 G HA2 -0.228 3.732 3.960 0.000 0.000 0.231 90 G HA3 -0.228 3.732 3.960 0.000 0.000 0.231 90 G C 0.425 175.339 174.900 0.023 0.000 0.984 90 G CA 0.584 45.710 45.100 0.044 0.000 0.660 90 G HN 0.562 nan 8.290 nan 0.000 0.525 91 E N -1.320 118.885 120.200 0.008 0.000 2.340 91 E HA 0.334 4.684 4.350 0.000 0.000 0.194 91 E C 0.665 177.255 176.600 -0.016 0.000 0.996 91 E CA 0.308 56.703 56.400 -0.008 0.000 0.869 91 E CB 0.578 30.265 29.700 -0.021 0.000 0.835 91 E HN 0.396 nan 8.360 nan 0.000 0.493 92 L N 1.372 122.589 121.223 -0.009 0.000 2.385 92 L HA 0.304 4.644 4.340 0.000 0.000 0.273 92 L C -1.085 175.796 176.870 0.018 0.000 0.990 92 L CA -0.567 54.244 54.840 -0.049 0.000 0.821 92 L CB 1.860 43.812 42.059 -0.178 0.000 1.279 92 L HN -0.208 nan 8.230 nan 0.000 0.412 93 E N 3.326 123.518 120.200 -0.013 0.000 2.283 93 E HA 0.570 4.920 4.350 0.000 0.000 0.278 93 E C -1.283 175.286 176.600 -0.052 0.000 1.027 93 E CA -0.520 55.888 56.400 0.012 0.000 0.843 93 E CB 1.896 31.595 29.700 -0.002 0.000 1.062 93 E HN 0.397 nan 8.360 nan 0.000 0.401 94 V N 3.273 123.155 119.914 -0.054 0.000 2.532 94 V HA 0.100 4.220 4.120 0.000 0.000 0.294 94 V C -0.714 175.331 176.094 -0.083 0.000 1.036 94 V CA -0.720 61.482 62.300 -0.164 0.000 0.876 94 V CB 1.624 33.110 31.823 -0.561 0.000 1.012 94 V HN 0.669 nan 8.190 nan 0.000 0.432 95 E N 5.039 125.216 120.200 -0.038 0.000 1.963 95 E HA 0.356 4.706 4.350 0.000 0.000 0.274 95 E C -0.646 175.944 176.600 -0.017 0.000 1.061 95 E CA -0.339 56.053 56.400 -0.014 0.000 0.847 95 E CB 1.033 30.725 29.700 -0.013 0.000 1.083 95 E HN 0.543 nan 8.360 nan 0.000 0.402 96 L N 3.518 124.744 121.223 0.005 0.000 2.433 96 L HA 0.106 4.446 4.340 0.000 0.000 0.275 96 L C 0.121 176.957 176.870 -0.056 0.000 1.128 96 L CA 0.372 55.215 54.840 0.005 0.000 0.875 96 L CB 0.124 42.257 42.059 0.123 0.000 1.171 96 L HN 0.375 nan 8.230 nan 0.000 0.463 97 T N 4.132 118.644 114.554 -0.070 0.000 2.824 97 T HA 0.358 4.708 4.350 0.000 0.000 0.282 97 T C -2.500 172.136 174.700 -0.106 0.000 0.993 97 T CA -1.639 60.410 62.100 -0.086 0.000 0.967 97 T CB 1.857 70.695 68.868 -0.049 0.000 0.960 97 T HN 0.212 nan 8.240 nan 0.000 0.441 98 P HA 0.036 nan 4.420 nan 0.000 0.262 98 P C 0.847 178.046 177.300 -0.170 0.000 1.182 98 P CA 0.160 63.161 63.100 -0.164 0.000 0.761 98 P CB 0.604 32.204 31.700 -0.167 0.000 0.795 99 Q N 3.219 122.904 119.800 -0.193 0.000 2.045 99 Q HA -0.192 4.148 4.340 0.000 0.000 0.206 99 Q C 2.130 177.854 176.000 -0.461 0.000 0.991 99 Q CA 2.384 58.098 55.803 -0.148 0.000 0.851 99 Q CB -0.823 27.947 28.738 0.053 0.000 0.911 99 Q HN 0.682 nan 8.270 nan 0.000 0.418 100 G N -0.905 107.095 108.800 -1.333 0.000 2.432 100 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 100 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 100 G C 1.310 176.035 174.900 -0.292 0.000 1.135 100 G CA 1.227 45.630 45.100 -1.162 0.000 0.767 100 G HN 0.369 nan 8.290 nan 0.000 0.550 101 T N 1.013 115.463 114.554 -0.173 0.000 2.777 101 T HA -0.089 4.261 4.350 0.000 0.000 0.266 101 T C 2.230 176.983 174.700 0.088 0.000 1.040 101 T CA 1.025 63.148 62.100 0.040 0.000 1.141 101 T CB -0.210 68.666 68.868 0.013 0.000 0.868 101 T HN 0.128 nan 8.240 nan 0.000 0.444 102 L N 1.477 122.729 121.223 0.048 0.000 2.042 102 L HA -0.009 4.331 4.340 0.000 0.000 0.210 102 L C 2.540 179.543 176.870 0.222 0.000 1.076 102 L CA 1.874 56.791 54.840 0.128 0.000 0.749 102 L CB -0.951 41.180 42.059 0.120 0.000 0.893 102 L HN 0.233 nan 8.230 nan 0.000 0.432 103 A N -1.173 121.769 122.820 0.204 0.000 1.897 103 A HA -0.182 4.138 4.320 0.000 0.000 0.215 103 A C 2.254 179.842 177.584 0.007 0.000 1.181 103 A CA 1.482 53.572 52.037 0.089 0.000 0.620 103 A CB -0.574 18.356 19.000 -0.116 0.000 0.821 103 A HN 0.480 nan 8.150 nan 0.000 0.443 104 E N 0.114 120.308 120.200 -0.010 0.000 2.152 104 E HA -0.075 4.275 4.350 0.000 0.000 0.192 104 E C 2.126 178.682 176.600 -0.073 0.000 0.983 104 E CA 1.073 57.382 56.400 -0.152 0.000 0.818 104 E CB -0.192 29.332 29.700 -0.293 0.000 0.758 104 E HN 0.580 nan 8.360 nan 0.000 0.467 105 R N -0.280 120.334 120.500 0.191 0.000 2.092 105 R HA 0.026 4.366 4.340 0.000 0.000 0.231 105 R C 2.399 178.777 176.300 0.130 0.000 1.119 105 R CA 1.347 57.611 56.100 0.273 0.000 0.970 105 R CB -0.282 30.155 30.300 0.228 0.000 0.864 105 R HN 0.257 nan 8.270 nan 0.000 0.440 106 I N 0.311 120.939 120.570 0.096 0.000 2.252 106 I HA -0.275 3.895 4.170 0.000 0.000 0.245 106 I C 2.782 178.908 176.117 0.015 0.000 1.102 106 I CA 1.137 62.477 61.300 0.068 0.000 1.385 106 I CB -0.258 37.805 38.000 0.106 0.000 1.064 106 I HN 0.149 nan 8.210 nan 0.000 0.414 107 R N 1.264 121.748 120.500 -0.027 0.000 2.080 107 R HA -0.210 4.130 4.340 0.000 0.000 0.236 107 R C 2.418 178.683 176.300 -0.057 0.000 1.137 107 R CA 1.806 57.861 56.100 -0.075 0.000 0.943 107 R CB -0.354 29.869 30.300 -0.129 0.000 0.846 107 R HN 0.350 nan 8.270 nan 0.000 0.431 108 A N 0.299 123.087 122.820 -0.053 0.000 1.917 108 A HA -0.149 4.171 4.320 0.000 0.000 0.219 108 A C 2.347 179.950 177.584 0.032 0.000 1.182 108 A CA 1.958 53.992 52.037 -0.004 0.000 0.633 108 A CB -1.335 17.726 19.000 0.102 0.000 0.819 108 A HN 0.619 nan 8.150 nan 0.000 0.448 109 G N -1.285 107.541 108.800 0.043 0.000 2.470 109 G HA2 0.103 4.063 3.960 0.000 0.000 0.220 109 G HA3 0.103 4.063 3.960 0.000 0.000 0.220 109 G C 1.279 176.198 174.900 0.033 0.000 1.121 109 G CA 1.215 46.340 45.100 0.042 0.000 0.766 109 G HN 0.773 nan 8.290 nan 0.000 0.553 110 G N -0.210 108.600 108.800 0.017 0.000 2.796 110 G HA2 0.338 4.298 3.960 0.000 0.000 0.210 110 G HA3 0.338 4.298 3.960 0.000 0.000 0.210 110 G C 1.354 176.281 174.900 0.045 0.000 1.146 110 G CA 0.964 46.079 45.100 0.025 0.000 0.779 110 G HN 0.536 nan 8.290 nan 0.000 0.535 111 A N -0.193 122.639 122.820 0.021 0.000 2.423 111 A HA 0.523 4.843 4.320 0.000 0.000 0.246 111 A C 1.775 179.374 177.584 0.026 0.000 1.278 111 A CA 0.977 53.028 52.037 0.023 0.000 0.903 111 A CB -0.341 18.652 19.000 -0.012 0.000 0.997 111 A HN 1.396 nan 8.150 nan 0.000 0.510 112 G N -1.134 107.686 108.800 0.033 0.000 2.143 112 G HA2 -0.190 3.770 3.960 0.000 0.000 0.248 112 G HA3 -0.190 3.770 3.960 0.000 0.000 0.248 112 G C 0.067 174.985 174.900 0.031 0.000 0.991 112 G CA 0.284 45.403 45.100 0.032 0.000 0.689 112 G HN 0.831 nan 8.290 nan 0.000 0.522 113 V N 1.821 121.756 119.914 0.035 0.000 2.350 113 V HA 0.377 4.497 4.120 0.000 0.000 0.276 113 V C -0.133 176.005 176.094 0.073 0.000 1.028 113 V CA -0.693 61.638 62.300 0.051 0.000 0.860 113 V CB 1.720 33.571 31.823 0.046 0.000 0.990 113 V HN 0.164 nan 8.190 nan 0.000 0.453 114 P HA 0.145 nan 4.420 nan 0.000 0.221 114 P C 0.212 177.538 177.300 0.043 0.000 1.155 114 P CA 0.800 63.927 63.100 0.045 0.000 0.812 114 P CB 0.841 32.556 31.700 0.025 0.000 0.801 115 A N -0.945 121.907 122.820 0.053 0.000 2.610 115 A HA 0.685 5.005 4.320 0.000 0.000 0.291 115 A C -1.488 176.121 177.584 0.042 0.000 1.086 115 A CA -0.619 51.395 52.037 -0.037 0.000 0.677 115 A CB 0.662 19.568 19.000 -0.157 0.000 1.278 115 A HN 0.126 nan 8.150 nan 0.000 0.414 116 F N -1.986 117.848 119.950 -0.192 0.000 2.741 116 F HA 0.816 5.343 4.527 -0.000 0.000 0.313 116 F C -1.863 173.774 175.800 -0.272 0.000 1.153 116 F CA -1.341 56.556 58.000 -0.170 0.000 0.931 116 F CB 0.726 39.680 39.000 -0.077 0.000 1.335 116 F HN 0.503 nan 8.300 nan 0.000 0.460 117 Y N 0.106 120.467 120.300 0.101 0.000 2.420 117 Y HA 0.687 5.237 4.550 -0.000 0.000 0.334 117 Y C 0.275 176.308 175.900 0.222 0.000 1.094 117 Y CA -0.600 57.529 58.100 0.047 0.000 1.126 117 Y CB 2.183 40.616 38.460 -0.045 0.000 1.217 117 Y HN 0.897 nan 8.280 nan 0.000 0.462 118 T N -0.329 114.498 114.554 0.455 0.000 2.932 118 T HA 0.257 4.607 4.350 0.000 0.000 0.318 118 T C 0.392 175.383 174.700 0.484 0.000 1.265 118 T CA -0.188 62.206 62.100 0.490 0.000 1.036 118 T CB 0.865 69.954 68.868 0.368 0.000 1.209 118 T HN 0.659 nan 8.240 nan 0.000 0.484 119 S N 1.629 117.548 115.700 0.366 0.000 2.496 119 S HA 0.109 4.579 4.470 0.000 0.000 0.224 119 S C 0.879 175.539 174.600 0.101 0.000 0.996 119 S CA 0.070 58.287 58.200 0.028 0.000 0.927 119 S CB -0.422 62.619 63.200 -0.266 0.000 0.774 119 S HN 0.757 nan 8.310 nan 0.000 0.524 120 T N 2.797 117.427 114.554 0.126 0.000 2.831 120 T HA 0.443 4.793 4.350 0.000 0.000 0.291 120 T C 1.318 176.052 174.700 0.057 0.000 0.981 120 T CA 0.892 63.038 62.100 0.077 0.000 1.174 120 T CB 0.165 69.066 68.868 0.055 0.000 0.929 120 T HN 0.894 nan 8.240 nan 0.000 0.532 121 G N 2.796 111.613 108.800 0.028 0.000 2.175 121 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 121 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 121 G C 0.007 174.933 174.900 0.043 0.000 0.982 121 G CA -0.108 44.987 45.100 -0.009 0.000 0.641 121 G HN 0.811 nan 8.290 nan 0.000 0.527 122 Y N 1.188 121.480 120.300 -0.013 0.000 2.511 122 Y HA 0.366 4.916 4.550 0.000 0.000 0.332 122 Y C 1.481 177.373 175.900 -0.014 0.000 1.177 122 Y CA 1.083 59.178 58.100 -0.008 0.000 1.422 122 Y CB 0.848 39.299 38.460 -0.016 0.000 1.271 122 Y HN 1.409 nan 8.280 nan 0.000 0.550 123 G N 3.243 111.536 108.800 -0.845 0.000 2.153 123 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 123 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 123 G C 0.090 174.862 174.900 -0.213 0.000 0.994 123 G CA 0.645 45.401 45.100 -0.573 0.000 0.698 123 G HN 1.213 nan 8.290 nan 0.000 0.521 124 T N -3.487 110.985 114.554 -0.137 0.000 2.773 124 T HA 0.698 5.048 4.350 0.000 0.000 0.278 124 T C 1.488 176.195 174.700 0.012 0.000 1.011 124 T CA -0.235 61.858 62.100 -0.013 0.000 1.014 124 T CB 1.218 70.083 68.868 -0.005 0.000 1.293 124 T HN 0.231 nan 8.240 nan 0.000 0.554 125 L N 0.769 122.060 121.223 0.114 0.000 2.265 125 L HA -0.041 4.299 4.340 0.000 0.000 0.215 125 L C 2.743 179.647 176.870 0.055 0.000 1.117 125 L CA 0.620 55.535 54.840 0.125 0.000 0.782 125 L CB -0.684 41.546 42.059 0.285 0.000 0.914 125 L HN 0.546 nan 8.230 nan 0.000 0.441 126 V N -0.301 119.608 119.914 -0.009 0.000 2.295 126 V HA -0.304 3.816 4.120 0.000 0.000 0.246 126 V C 2.501 178.586 176.094 -0.014 0.000 1.049 126 V CA 2.005 64.281 62.300 -0.040 0.000 1.024 126 V CB -0.529 31.237 31.823 -0.094 0.000 0.648 126 V HN 0.547 nan 8.190 nan 0.000 0.447 127 Q N 0.232 120.024 119.800 -0.014 0.000 2.049 127 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 127 Q C 2.111 178.108 176.000 -0.005 0.000 0.971 127 Q CA 1.866 57.672 55.803 0.005 0.000 0.833 127 Q CB -0.061 28.674 28.738 -0.004 0.000 0.896 127 Q HN 0.744 nan 8.270 nan 0.000 0.434 128 E N -0.243 119.941 120.200 -0.026 0.000 2.358 128 E HA 0.134 4.484 4.350 0.000 0.000 0.195 128 E C 0.692 177.294 176.600 0.003 0.000 1.010 128 E CA 0.335 56.723 56.400 -0.021 0.000 0.856 128 E CB 0.131 29.809 29.700 -0.038 0.000 0.795 128 E HN 0.528 nan 8.360 nan 0.000 0.504 129 G N -0.466 108.343 108.800 0.015 0.000 2.795 129 G HA2 -0.042 3.918 3.960 0.000 0.000 0.664 129 G HA3 -0.042 3.918 3.960 0.000 0.000 0.664 129 G C 0.583 175.503 174.900 0.034 0.000 1.381 129 G CA -0.489 44.624 45.100 0.022 0.000 0.853 129 G HN 0.645 nan 8.290 nan 0.000 0.545 130 G N -1.882 106.937 108.800 0.031 0.000 2.157 130 G HA2 0.098 4.058 3.960 0.000 0.000 0.239 130 G HA3 0.098 4.058 3.960 0.000 0.000 0.239 130 G C 0.773 175.707 174.900 0.055 0.000 0.982 130 G CA 1.492 46.612 45.100 0.033 0.000 0.650 130 G HN 2.300 nan 8.290 nan 0.000 0.527 131 S N 1.626 117.378 115.700 0.087 0.000 2.510 131 S HA 0.533 5.003 4.470 0.000 0.000 0.279 131 S C -2.005 172.640 174.600 0.074 0.000 1.284 131 S CA -0.857 57.430 58.200 0.146 0.000 1.059 131 S CB 0.777 64.100 63.200 0.205 0.000 0.901 131 S HN 0.167 nan 8.310 nan 0.000 0.491 132 P HA 0.155 nan 4.420 nan 0.000 0.265 132 P C 0.260 177.560 177.300 0.000 0.000 1.222 132 P CA 0.134 63.157 63.100 -0.128 0.000 0.767 132 P CB 0.266 31.728 31.700 -0.397 0.000 0.801 133 I N 2.063 122.613 120.570 -0.033 0.000 2.628 133 I HA 0.061 4.231 4.170 0.000 0.000 0.255 133 I C 1.182 177.333 176.117 0.056 0.000 1.119 133 I CA 0.872 62.193 61.300 0.036 0.000 1.448 133 I CB 0.120 38.123 38.000 0.005 0.000 1.133 133 I HN 0.263 nan 8.210 nan 0.000 0.438 134 K N 0.037 120.392 120.400 -0.074 0.000 2.464 134 K HA 0.395 4.715 4.320 0.000 0.000 0.253 134 K C -1.722 174.741 176.600 -0.228 0.000 0.933 134 K CA -0.570 55.674 56.287 -0.072 0.000 0.801 134 K CB 2.012 34.501 32.500 -0.018 0.000 1.271 134 K HN -0.246 nan 8.250 nan 0.000 0.430 135 Y N 1.281 121.545 120.300 -0.060 0.000 2.387 135 Y HA 0.310 4.860 4.550 0.000 0.000 0.330 135 Y C 0.734 176.595 175.900 -0.065 0.000 1.133 135 Y CA -0.584 57.457 58.100 -0.098 0.000 1.152 135 Y CB 1.225 39.572 38.460 -0.188 0.000 1.215 135 Y HN 0.556 nan 8.280 nan 0.000 0.466 136 N N 1.346 120.126 118.700 0.133 0.000 2.408 136 N HA 0.108 4.848 4.740 0.000 0.000 0.260 136 N C 0.764 176.296 175.510 0.036 0.000 1.242 136 N CA -0.173 52.912 53.050 0.059 0.000 0.959 136 N CB 0.802 39.313 38.487 0.039 0.000 1.201 136 N HN 0.611 nan 8.380 nan 0.000 0.511 137 K N 0.259 120.664 120.400 0.009 0.000 2.147 137 K HA -0.147 4.173 4.320 0.000 0.000 0.205 137 K C 1.139 177.722 176.600 -0.029 0.000 1.049 137 K CA 1.253 57.532 56.287 -0.013 0.000 0.936 137 K CB 0.038 32.531 32.500 -0.013 0.000 0.722 137 K HN 0.602 nan 8.250 nan 0.000 0.446 138 D N -0.902 119.486 120.400 -0.020 0.000 2.194 138 D HA -0.090 4.550 4.640 0.000 0.000 0.204 138 D C 1.277 177.548 176.300 -0.048 0.000 0.964 138 D CA 1.543 55.526 54.000 -0.029 0.000 0.846 138 D CB 0.270 41.061 40.800 -0.016 0.000 0.962 138 D HN 0.305 nan 8.370 nan 0.000 0.490 139 G N 0.360 109.132 108.800 -0.047 0.000 2.227 139 G HA2 -0.184 3.776 3.960 0.000 0.000 0.168 139 G HA3 -0.184 3.776 3.960 0.000 0.000 0.168 139 G C 0.267 175.169 174.900 0.002 0.000 1.006 139 G CA 0.316 45.363 45.100 -0.089 0.000 0.684 139 G HN 0.755 nan 8.290 nan 0.000 0.489 140 S N -0.064 115.666 115.700 0.051 0.000 2.672 140 S HA 0.768 5.238 4.470 0.000 0.000 0.276 140 S C 0.451 175.141 174.600 0.149 0.000 1.207 140 S CA -0.828 57.422 58.200 0.083 0.000 1.002 140 S CB 1.461 64.684 63.200 0.038 0.000 0.998 140 S HN 0.496 nan 8.310 nan 0.000 0.542 141 I N 2.229 122.856 120.570 0.094 0.000 2.471 141 I HA 0.226 4.396 4.170 0.000 0.000 0.286 141 I C 1.286 177.393 176.117 -0.016 0.000 1.079 141 I CA -0.392 60.909 61.300 0.001 0.000 1.398 141 I CB 1.016 38.983 38.000 -0.056 0.000 1.403 141 I HN 0.950 nan 8.210 nan 0.000 0.530 142 A N 7.839 130.636 122.820 -0.038 0.000 1.861 142 A HA 0.280 4.600 4.320 0.000 0.000 0.212 142 A C 0.909 178.472 177.584 -0.036 0.000 1.199 142 A CA 0.887 52.910 52.037 -0.023 0.000 0.613 142 A CB 0.123 19.118 19.000 -0.010 0.000 0.846 142 A HN 0.631 nan 8.150 nan 0.000 0.446 143 I N -0.520 120.013 120.570 -0.061 0.000 2.498 143 I HA 0.587 4.757 4.170 0.000 0.000 0.290 143 I C -0.167 175.911 176.117 -0.064 0.000 1.032 143 I CA -0.663 60.609 61.300 -0.047 0.000 1.073 143 I CB 2.048 40.030 38.000 -0.030 0.000 1.251 143 I HN 0.241 nan 8.210 nan 0.000 0.426 144 A N 3.847 126.643 122.820 -0.040 0.000 2.330 144 A HA 0.763 5.083 4.320 0.000 0.000 0.329 144 A C -0.059 177.520 177.584 -0.009 0.000 1.135 144 A CA -0.571 51.448 52.037 -0.030 0.000 0.817 144 A CB 1.480 20.467 19.000 -0.021 0.000 1.269 144 A HN 0.751 nan 8.150 nan 0.000 0.469 145 S N 1.047 116.751 115.700 0.007 0.000 2.565 145 S HA 0.360 4.830 4.470 0.000 0.000 0.276 145 S C -0.163 174.442 174.600 0.008 0.000 1.326 145 S CA -0.327 57.880 58.200 0.011 0.000 1.045 145 S CB 0.320 63.535 63.200 0.025 0.000 0.918 145 S HN 0.587 nan 8.310 nan 0.000 0.505 146 K N 2.304 122.706 120.400 0.002 0.000 2.154 146 K HA 0.403 4.723 4.320 0.000 0.000 0.264 146 K C -2.476 174.126 176.600 0.003 0.000 1.008 146 K CA -1.873 54.415 56.287 0.002 0.000 0.937 146 K CB 0.132 32.631 32.500 -0.002 0.000 1.002 146 K HN 0.465 nan 8.250 nan 0.000 0.469 147 P HA 0.101 nan 4.420 nan 0.000 0.272 147 P C -0.811 176.495 177.300 0.010 0.000 1.230 147 P CA -0.235 62.871 63.100 0.010 0.000 0.788 147 P CB 0.593 32.301 31.700 0.014 0.000 0.949 148 R N 1.385 121.896 120.500 0.018 0.000 2.407 148 R HA 0.298 4.638 4.340 0.000 0.000 0.303 148 R C 0.092 176.429 176.300 0.062 0.000 0.981 148 R CA -0.658 55.454 56.100 0.020 0.000 0.905 148 R CB 0.603 30.910 30.300 0.013 0.000 1.099 148 R HN 0.543 nan 8.270 nan 0.000 0.459 149 E N 1.359 121.596 120.200 0.062 0.000 2.415 149 E HA 0.084 4.434 4.350 0.000 0.000 0.263 149 E C -0.261 176.460 176.600 0.202 0.000 0.995 149 E CA -0.008 56.460 56.400 0.113 0.000 0.915 149 E CB 0.891 30.654 29.700 0.105 0.000 0.951 149 E HN 0.131 nan 8.360 nan 0.000 0.449 150 V N 3.889 123.932 119.914 0.214 0.000 2.539 150 V HA 0.463 4.583 4.120 0.000 0.000 0.292 150 V C 0.143 176.378 176.094 0.236 0.000 1.045 150 V CA -0.437 62.029 62.300 0.278 0.000 0.945 150 V CB 1.465 33.465 31.823 0.296 0.000 0.993 150 V HN 0.641 nan 8.190 nan 0.000 0.464 151 R N 2.398 123.029 120.500 0.217 0.000 2.604 151 R HA 0.399 4.739 4.340 0.000 0.000 0.270 151 R C -1.050 175.172 176.300 -0.131 0.000 1.052 151 R CA -0.595 55.484 56.100 -0.034 0.000 0.902 151 R CB 1.918 32.081 30.300 -0.228 0.000 1.233 151 R HN 0.832 nan 8.270 nan 0.000 0.455 152 E N 3.934 123.930 120.200 -0.339 0.000 2.227 152 E HA 0.270 4.620 4.350 0.000 0.000 0.282 152 E C -1.489 174.797 176.600 -0.522 0.000 1.015 152 E CA -0.387 55.784 56.400 -0.382 0.000 0.823 152 E CB 0.712 30.141 29.700 -0.453 0.000 1.081 152 E HN 0.357 nan 8.360 nan 0.000 0.396 153 F N 3.356 123.293 119.950 -0.022 0.000 2.518 153 F HA 0.279 4.806 4.527 -0.000 0.000 0.323 153 F C 0.223 176.032 175.800 0.014 0.000 1.129 153 F CA -0.959 56.986 58.000 -0.092 0.000 0.920 153 F CB 1.510 40.309 39.000 -0.335 0.000 1.160 153 F HN 0.499 nan 8.300 nan 0.000 0.440 154 N N 2.435 121.206 118.700 0.118 0.000 2.725 154 N HA -0.204 4.536 4.740 0.000 0.000 0.251 154 N C 0.956 176.494 175.510 0.047 0.000 1.031 154 N CA 1.154 54.249 53.050 0.075 0.000 0.720 154 N CB -0.990 37.553 38.487 0.093 0.000 0.930 154 N HN 1.195 nan 8.380 nan 0.000 0.543 155 G N -0.670 108.119 108.800 -0.018 0.000 2.153 155 G HA2 -0.336 3.624 3.960 0.000 0.000 0.252 155 G HA3 -0.336 3.624 3.960 0.000 0.000 0.252 155 G C -0.237 174.605 174.900 -0.097 0.000 0.994 155 G CA 0.871 45.934 45.100 -0.061 0.000 0.698 155 G HN 0.728 nan 8.290 nan 0.000 0.521 156 Q N -0.569 119.169 119.800 -0.104 0.000 2.379 156 Q HA 0.469 4.809 4.340 0.000 0.000 0.278 156 Q C -0.987 174.788 176.000 -0.375 0.000 1.068 156 Q CA -0.916 54.764 55.803 -0.206 0.000 0.816 156 Q CB 1.363 30.025 28.738 -0.126 0.000 1.387 156 Q HN 0.430 nan 8.270 nan 0.000 0.413 157 H N 2.593 121.351 119.070 -0.521 0.000 2.527 157 H HA 0.390 4.947 4.556 0.000 0.000 0.321 157 H C -0.971 173.851 175.328 -0.843 0.000 1.087 157 H CA 0.289 55.945 56.048 -0.654 0.000 1.337 157 H CB 0.498 29.556 29.762 -1.173 0.000 1.440 157 H HN 0.401 nan 8.280 nan 0.000 0.490 158 F N 1.909 121.828 119.950 -0.051 0.000 2.603 158 F HA 0.405 4.932 4.527 0.000 0.000 0.317 158 F C 0.431 176.393 175.800 0.270 0.000 1.066 158 F CA -1.085 56.995 58.000 0.133 0.000 0.941 158 F CB 1.640 40.789 39.000 0.250 0.000 1.291 158 F HN 0.349 nan 8.300 nan 0.000 0.472 159 I N 0.563 121.421 120.570 0.480 0.000 2.693 159 I HA 0.667 4.837 4.170 0.000 0.000 0.303 159 I C -1.445 174.783 176.117 0.185 0.000 1.025 159 I CA -1.211 60.298 61.300 0.347 0.000 1.086 159 I CB 1.967 40.096 38.000 0.215 0.000 1.268 159 I HN 0.421 nan 8.210 nan 0.000 0.440 160 L N 4.526 125.726 121.223 -0.038 0.000 2.290 160 L HA 0.457 4.797 4.340 0.000 0.000 0.284 160 L C -0.332 176.289 176.870 -0.415 0.000 1.078 160 L CA 0.608 55.147 54.840 -0.502 0.000 0.815 160 L CB 0.307 42.077 42.059 -0.481 0.000 1.162 160 L HN 0.600 nan 8.230 nan 0.000 0.435 161 E N 4.433 124.230 120.200 -0.672 0.000 2.212 161 E HA 0.385 4.735 4.350 0.000 0.000 0.268 161 E C -0.972 175.277 176.600 -0.586 0.000 0.902 161 E CA -0.558 55.471 56.400 -0.618 0.000 0.779 161 E CB 1.876 31.119 29.700 -0.761 0.000 1.172 161 E HN 0.591 nan 8.360 nan 0.000 0.409 162 E N 0.633 120.667 120.200 -0.276 0.000 2.222 162 E HA 0.522 4.872 4.350 0.000 0.000 0.272 162 E C -0.448 176.147 176.600 -0.008 0.000 0.982 162 E CA -0.836 55.486 56.400 -0.129 0.000 0.842 162 E CB 1.736 31.387 29.700 -0.081 0.000 1.144 162 E HN 0.529 nan 8.360 nan 0.000 0.397 163 A N 2.716 125.570 122.820 0.056 0.000 2.520 163 A HA 0.145 4.465 4.320 0.000 0.000 0.235 163 A C -0.065 177.557 177.584 0.064 0.000 1.065 163 A CA 0.315 52.412 52.037 0.100 0.000 0.764 163 A CB 0.003 19.053 19.000 0.083 0.000 1.002 163 A HN 0.538 nan 8.150 nan 0.000 0.502 164 I N 1.646 122.260 120.570 0.073 0.000 2.362 164 I HA 0.448 4.618 4.170 0.000 0.000 0.289 164 I C 0.412 176.559 176.117 0.050 0.000 0.994 164 I CA -0.152 61.180 61.300 0.054 0.000 1.158 164 I CB 1.449 39.484 38.000 0.059 0.000 1.315 164 I HN 0.757 nan 8.210 nan 0.000 0.451 165 R N 3.739 124.264 120.500 0.041 0.000 2.686 165 R HA 0.688 5.028 4.340 0.000 0.000 0.283 165 R C -0.556 175.768 176.300 0.039 0.000 0.978 165 R CA -0.574 55.549 56.100 0.038 0.000 0.897 165 R CB 2.197 32.517 30.300 0.034 0.000 1.192 165 R HN 0.766 nan 8.270 nan 0.000 0.457 166 G N 0.744 109.568 108.800 0.041 0.000 2.434 166 G HA2 0.146 4.106 3.960 0.000 0.000 0.330 166 G HA3 0.146 4.106 3.960 0.000 0.000 0.330 166 G C -0.121 174.802 174.900 0.038 0.000 1.155 166 G CA -0.491 44.642 45.100 0.054 0.000 0.917 166 G HN 0.682 nan 8.290 nan 0.000 0.493 167 D N -0.391 120.055 120.400 0.077 0.000 2.149 167 D HA 0.023 4.663 4.640 0.000 0.000 0.201 167 D C -0.058 176.165 176.300 -0.129 0.000 0.972 167 D CA 1.311 55.335 54.000 0.040 0.000 0.835 167 D CB 0.164 41.091 40.800 0.212 0.000 0.966 167 D HN 0.200 nan 8.370 nan 0.000 0.476 168 F N -0.527 119.442 119.950 0.032 0.000 2.599 168 F HA 0.566 5.093 4.527 0.000 0.000 0.311 168 F C -0.408 175.406 175.800 0.023 0.000 1.076 168 F CA -1.254 56.764 58.000 0.030 0.000 0.937 168 F CB 1.994 41.003 39.000 0.015 0.000 1.282 168 F HN -0.297 nan 8.300 nan 0.000 0.460 169 A N 2.956 125.889 122.820 0.189 0.000 2.343 169 A HA 0.826 5.146 4.320 0.000 0.000 0.308 169 A C -1.557 176.098 177.584 0.119 0.000 1.092 169 A CA -0.597 51.512 52.037 0.119 0.000 0.751 169 A CB 0.864 19.901 19.000 0.061 0.000 1.203 169 A HN 0.728 nan 8.150 nan 0.000 0.452 170 L N 3.249 124.529 121.223 0.094 0.000 2.276 170 L HA 0.579 4.919 4.340 0.000 0.000 0.286 170 L C -0.880 176.038 176.870 0.080 0.000 1.024 170 L CA -0.740 54.143 54.840 0.072 0.000 0.826 170 L CB 1.303 43.387 42.059 0.041 0.000 1.211 170 L HN 0.415 nan 8.230 nan 0.000 0.422 171 V N 2.830 122.800 119.914 0.094 0.000 2.656 171 V HA 0.434 4.554 4.120 0.000 0.000 0.307 171 V C -0.270 175.918 176.094 0.156 0.000 1.051 171 V CA -0.833 61.548 62.300 0.135 0.000 0.893 171 V CB 2.355 34.265 31.823 0.144 0.000 0.999 171 V HN 0.585 nan 8.190 nan 0.000 0.426 172 K N 3.429 123.951 120.400 0.203 0.000 2.206 172 K HA 0.878 5.198 4.320 0.000 0.000 0.264 172 K C -0.623 176.139 176.600 0.271 0.000 0.967 172 K CA 0.010 56.424 56.287 0.211 0.000 0.844 172 K CB 1.612 34.232 32.500 0.200 0.000 1.099 172 K HN 0.955 nan 8.250 nan 0.000 0.441 173 A N 3.249 126.151 122.820 0.137 0.000 2.566 173 A HA 0.471 4.791 4.320 0.000 0.000 0.292 173 A C -0.614 176.994 177.584 0.041 0.000 1.112 173 A CA -0.807 51.211 52.037 -0.032 0.000 0.707 173 A CB 0.254 18.992 19.000 -0.436 0.000 1.302 173 A HN 0.912 nan 8.150 nan 0.000 0.409 174 W N 1.064 122.250 121.300 -0.190 0.000 2.463 174 W HA 0.249 4.909 4.660 -0.000 0.000 0.316 174 W C 0.140 176.610 176.519 -0.081 0.000 1.170 174 W CA 1.311 58.584 57.345 -0.120 0.000 1.355 174 W CB 0.009 29.429 29.460 -0.067 0.000 1.159 174 W HN 0.544 nan 8.180 nan 0.000 0.487 175 K N -0.340 119.967 120.400 -0.155 0.000 2.385 175 K HA 0.634 4.954 4.320 0.000 0.000 0.248 175 K C -1.231 175.381 176.600 0.019 0.000 0.955 175 K CA -0.744 55.429 56.287 -0.189 0.000 0.816 175 K CB 2.215 34.495 32.500 -0.366 0.000 1.250 175 K HN -0.122 nan 8.250 nan 0.000 0.434 176 A N 1.697 124.571 122.820 0.090 0.000 2.414 176 A HA 0.462 4.782 4.320 0.000 0.000 0.306 176 A C -1.168 176.510 177.584 0.158 0.000 1.054 176 A CA -0.812 51.333 52.037 0.179 0.000 0.724 176 A CB 1.038 20.106 19.000 0.113 0.000 1.267 176 A HN 0.813 nan 8.150 nan 0.000 0.418 177 D N 0.419 120.946 120.400 0.212 0.000 2.451 177 D HA 0.142 4.782 4.640 0.000 0.000 0.259 177 D C 0.681 177.070 176.300 0.149 0.000 1.201 177 D CA -0.399 53.602 54.000 0.002 0.000 1.028 177 D CB 0.536 41.268 40.800 -0.114 0.000 1.095 177 D HN 0.336 nan 8.370 nan 0.000 0.539 178 Q N -0.699 119.126 119.800 0.042 0.000 2.436 178 Q HA -0.017 4.323 4.340 0.000 0.000 0.209 178 Q C 1.564 177.681 176.000 0.196 0.000 0.965 178 Q CA 0.848 56.653 55.803 0.005 0.000 0.910 178 Q CB -0.144 28.488 28.738 -0.177 0.000 0.980 178 Q HN 0.667 nan 8.270 nan 0.000 0.491 179 A N -0.980 121.953 122.820 0.188 0.000 2.072 179 A HA 0.218 4.538 4.320 0.000 0.000 0.216 179 A C 1.526 179.254 177.584 0.241 0.000 1.156 179 A CA 1.297 53.448 52.037 0.190 0.000 0.701 179 A CB 0.001 19.067 19.000 0.110 0.000 0.816 179 A HN 0.456 nan 8.150 nan 0.000 0.458 180 G N -1.238 107.724 108.800 0.270 0.000 2.184 180 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 180 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 180 G C -0.089 174.865 174.900 0.090 0.000 0.995 180 G CA -0.049 45.120 45.100 0.114 0.000 0.651 180 G HN 0.418 nan 8.290 nan 0.000 0.511 181 N N 0.135 118.920 118.700 0.142 0.000 2.479 181 N HA 0.470 5.210 4.740 0.000 0.000 0.257 181 N C -0.078 175.478 175.510 0.076 0.000 1.232 181 N CA 0.483 53.600 53.050 0.111 0.000 0.920 181 N CB 1.881 40.468 38.487 0.167 0.000 1.105 181 N HN 0.201 nan 8.380 nan 0.000 0.444 182 V N 0.118 119.959 119.914 -0.123 0.000 2.925 182 V HA 0.562 4.682 4.120 0.000 0.000 0.311 182 V C 0.081 175.838 176.094 -0.562 0.000 1.104 182 V CA -0.708 61.423 62.300 -0.281 0.000 0.954 182 V CB 2.203 33.878 31.823 -0.247 0.000 1.022 182 V HN 0.926 nan 8.190 nan 0.000 0.427 183 T N 0.044 114.197 114.554 -0.668 0.000 2.901 183 T HA 0.850 5.200 4.350 0.000 0.000 0.293 183 T C -1.180 173.286 174.700 -0.391 0.000 1.084 183 T CA -0.577 61.172 62.100 -0.584 0.000 1.008 183 T CB 1.950 70.372 68.868 -0.744 0.000 1.170 183 T HN 0.200 nan 8.240 nan 0.000 0.509 184 F N -0.261 119.957 119.950 0.445 0.000 2.593 184 F HA 0.726 5.253 4.527 -0.000 0.000 0.320 184 F C 0.392 176.340 175.800 0.248 0.000 1.060 184 F CA -1.243 56.934 58.000 0.296 0.000 0.940 184 F CB 2.195 41.270 39.000 0.125 0.000 1.268 184 F HN 0.592 nan 8.300 nan 0.000 0.475 185 R N 2.492 123.089 120.500 0.163 0.000 2.310 185 R HA 0.454 4.794 4.340 0.000 0.000 0.324 185 R C -0.240 175.808 176.300 -0.420 0.000 0.955 185 R CA -0.263 55.664 56.100 -0.287 0.000 0.830 185 R CB 0.592 30.365 30.300 -0.878 0.000 1.154 185 R HN 0.800 nan 8.270 nan 0.000 0.458 186 K N 0.706 120.705 120.400 -0.669 0.000 1.882 186 K HA -0.279 4.041 4.320 0.000 0.000 0.199 186 K C 0.604 176.556 176.600 -1.080 0.000 1.562 186 K CA 1.666 57.082 56.287 -1.451 0.000 0.515 186 K CB -1.485 30.445 32.500 -0.951 0.000 0.682 186 K HN 0.740 nan 8.250 nan 0.000 0.843 187 S N 0.480 115.753 115.700 -0.712 0.000 2.650 187 S HA 0.210 4.680 4.470 0.000 0.000 0.219 187 S C 1.490 175.965 174.600 -0.209 0.000 0.960 187 S CA 0.616 58.615 58.200 -0.336 0.000 0.925 187 S CB 0.351 63.445 63.200 -0.177 0.000 0.775 187 S HN 0.609 nan 8.310 nan 0.000 0.525 188 A N 1.559 124.267 122.820 -0.186 0.000 2.239 188 A HA 0.151 4.471 4.320 0.000 0.000 0.209 188 A C 2.153 179.727 177.584 -0.018 0.000 1.171 188 A CA 0.552 52.560 52.037 -0.048 0.000 0.768 188 A CB -0.541 18.443 19.000 -0.027 0.000 0.790 188 A HN 0.586 nan 8.150 nan 0.000 0.478 189 R N 0.631 121.041 120.500 -0.150 0.000 2.055 189 R HA -0.171 4.169 4.340 0.000 0.000 0.228 189 R C 1.713 177.805 176.300 -0.347 0.000 1.143 189 R CA 1.665 57.529 56.100 -0.395 0.000 0.945 189 R CB -0.449 29.572 30.300 -0.465 0.000 0.841 189 R HN 0.702 nan 8.270 nan 0.000 0.429 190 N N -0.639 117.909 118.700 -0.254 0.000 1.109 190 N HA -0.355 4.385 4.740 0.000 0.000 0.142 190 N C 0.901 176.288 175.510 -0.205 0.000 0.434 190 N CA 2.621 55.565 53.050 -0.176 0.000 0.976 190 N CB -1.479 37.044 38.487 0.060 0.000 1.494 190 N HN 0.233 nan 8.380 nan 0.000 0.474 191 F N 0.199 120.117 119.950 -0.053 0.000 2.789 191 F HA 0.275 4.802 4.527 0.000 0.000 0.300 191 F C 2.074 177.825 175.800 -0.081 0.000 1.132 191 F CA 0.013 57.992 58.000 -0.036 0.000 1.404 191 F CB -0.214 38.806 39.000 0.035 0.000 1.114 191 F HN 0.267 nan 8.300 nan 0.000 0.584 192 N N 0.526 119.235 118.700 0.015 0.000 2.166 192 N HA -0.177 4.563 4.740 0.000 0.000 0.186 192 N C 2.061 177.509 175.510 -0.103 0.000 1.019 192 N CA 1.061 54.111 53.050 0.000 0.000 0.856 192 N CB -0.300 38.228 38.487 0.069 0.000 0.993 192 N HN 0.348 nan 8.380 nan 0.000 0.426 193 L N 2.007 123.006 121.223 -0.373 0.000 1.988 193 L HA -0.037 4.303 4.340 0.000 0.000 0.207 193 L C -0.772 175.992 176.870 -0.178 0.000 1.071 193 L CA 1.465 56.119 54.840 -0.310 0.000 0.744 193 L CB -1.182 40.609 42.059 -0.446 0.000 0.893 193 L HN 0.063 nan 8.230 nan 0.000 0.433 194 P HA -0.212 nan 4.420 nan 0.000 0.216 194 P C 1.847 179.097 177.300 -0.082 0.000 1.153 194 P CA 1.860 64.877 63.100 -0.138 0.000 0.848 194 P CB -0.169 31.461 31.700 -0.117 0.000 0.787 195 M N -1.066 118.531 119.600 -0.004 0.000 2.267 195 M HA -0.161 4.319 4.480 0.000 0.000 0.263 195 M C 2.363 178.658 176.300 -0.008 0.000 1.063 195 M CA 1.301 56.620 55.300 0.031 0.000 1.090 195 M CB -1.029 31.624 32.600 0.088 0.000 1.392 195 M HN 0.028 nan 8.290 nan 0.000 0.422 196 C N 0.759 120.037 119.300 -0.036 0.000 2.437 196 C HA -0.096 4.364 4.460 0.000 0.000 0.283 196 C C 2.221 177.129 174.990 -0.136 0.000 1.424 196 C CA 1.040 60.027 59.018 -0.052 0.000 1.782 196 C CB -0.881 26.859 27.740 0.000 0.000 1.833 196 C HN 0.447 nan 8.230 nan 0.000 0.532 197 K N -0.333 119.939 120.400 -0.213 0.000 2.360 197 K HA 0.240 4.560 4.320 0.000 0.000 0.196 197 K C 1.144 177.721 176.600 -0.039 0.000 1.049 197 K CA 0.617 56.760 56.287 -0.239 0.000 1.049 197 K CB 0.271 32.466 32.500 -0.508 0.000 0.881 197 K HN 0.278 nan 8.250 nan 0.000 0.542 198 A N 1.191 123.994 122.820 -0.027 0.000 2.574 198 A HA 0.575 4.895 4.320 0.000 0.000 0.283 198 A C 0.028 177.628 177.584 0.026 0.000 1.270 198 A CA -0.285 51.758 52.037 0.011 0.000 0.945 198 A CB 0.253 19.260 19.000 0.012 0.000 1.127 198 A HN 0.170 nan 8.150 nan 0.000 0.522 199 A N -0.863 121.972 122.820 0.025 0.000 2.498 199 A HA 0.648 4.968 4.320 0.000 0.000 0.298 199 A C 0.563 178.163 177.584 0.026 0.000 1.075 199 A CA -0.070 51.977 52.037 0.016 0.000 0.714 199 A CB 0.958 19.964 19.000 0.010 0.000 1.299 199 A HN 0.109 nan 8.150 nan 0.000 0.407 200 E N 0.710 120.890 120.200 -0.035 0.000 2.051 200 E HA -0.056 4.294 4.350 0.000 0.000 0.192 200 E C 0.332 176.912 176.600 -0.033 0.000 0.991 200 E CA 2.308 58.674 56.400 -0.056 0.000 0.799 200 E CB 0.042 29.656 29.700 -0.143 0.000 0.748 200 E HN 0.610 nan 8.360 nan 0.000 0.449 201 T N 0.623 115.045 114.554 -0.221 0.000 2.809 201 T HA 0.427 4.777 4.350 0.000 0.000 0.284 201 T C -0.809 173.879 174.700 -0.020 0.000 0.992 201 T CA -0.367 61.682 62.100 -0.085 0.000 0.957 201 T CB 1.461 70.006 68.868 -0.538 0.000 0.942 201 T HN 0.191 nan 8.240 nan 0.000 0.439 202 T N 0.219 114.790 114.554 0.027 0.000 2.771 202 T HA 0.675 5.025 4.350 0.000 0.000 0.281 202 T C -0.371 174.334 174.700 0.008 0.000 0.982 202 T CA -0.721 61.338 62.100 -0.068 0.000 0.978 202 T CB 0.816 69.532 68.868 -0.254 0.000 0.930 202 T HN 0.292 nan 8.240 nan 0.000 0.447 203 V N 4.140 124.089 119.914 0.057 0.000 2.378 203 V HA 0.523 4.643 4.120 0.000 0.000 0.288 203 V C -0.199 175.914 176.094 0.031 0.000 1.016 203 V CA -0.815 61.508 62.300 0.037 0.000 0.840 203 V CB 1.457 33.305 31.823 0.042 0.000 0.994 203 V HN 0.892 nan 8.190 nan 0.000 0.431 204 V N 5.159 125.082 119.914 0.016 0.000 2.459 204 V HA 0.496 4.616 4.120 0.000 0.000 0.295 204 V C -0.013 176.109 176.094 0.048 0.000 1.029 204 V CA -0.652 61.670 62.300 0.037 0.000 0.874 204 V CB 1.891 33.723 31.823 0.015 0.000 0.985 204 V HN 1.052 nan 8.190 nan 0.000 0.438 205 E N 4.436 124.690 120.200 0.090 0.000 2.191 205 E HA 0.767 5.117 4.350 0.000 0.000 0.274 205 E C -0.950 175.751 176.600 0.169 0.000 0.948 205 E CA -0.764 55.720 56.400 0.140 0.000 0.802 205 E CB 2.305 32.108 29.700 0.171 0.000 1.137 205 E HN 0.505 nan 8.360 nan 0.000 0.397 206 V N -0.110 119.916 119.914 0.186 0.000 2.962 206 V HA 0.350 4.470 4.120 0.000 0.000 0.313 206 V C 0.477 176.679 176.094 0.180 0.000 1.099 206 V CA -0.796 61.583 62.300 0.131 0.000 0.971 206 V CB 1.738 33.602 31.823 0.067 0.000 1.028 206 V HN 0.881 nan 8.190 nan 0.000 0.430 207 E N 0.883 121.101 120.200 0.030 0.000 2.158 207 E HA 0.091 4.441 4.350 0.000 0.000 0.191 207 E C 0.426 177.089 176.600 0.105 0.000 0.982 207 E CA 1.058 57.462 56.400 0.008 0.000 0.823 207 E CB 0.495 30.131 29.700 -0.107 0.000 0.766 207 E HN 0.831 nan 8.360 nan 0.000 0.468 208 E N 0.273 120.495 120.200 0.037 0.000 2.331 208 E HA 0.359 4.709 4.350 0.000 0.000 0.275 208 E C -1.499 175.088 176.600 -0.021 0.000 0.895 208 E CA -0.428 55.969 56.400 -0.004 0.000 0.753 208 E CB 1.658 31.310 29.700 -0.081 0.000 1.216 208 E HN -0.070 nan 8.360 nan 0.000 0.434 209 I N 4.772 125.340 120.570 -0.004 0.000 2.355 209 I HA 0.293 4.463 4.170 0.000 0.000 0.288 209 I C 0.179 176.247 176.117 -0.082 0.000 0.999 209 I CA -0.865 60.434 61.300 -0.002 0.000 1.163 209 I CB 1.349 39.387 38.000 0.065 0.000 1.316 209 I HN 0.338 nan 8.210 nan 0.000 0.454 210 V N 2.359 122.178 119.914 -0.159 0.000 3.193 210 V HA 0.565 4.685 4.120 0.000 0.000 0.320 210 V C -0.148 175.807 176.094 -0.233 0.000 1.112 210 V CA -0.821 61.335 62.300 -0.240 0.000 1.026 210 V CB 1.632 33.214 31.823 -0.401 0.000 1.128 210 V HN 0.453 nan 8.190 nan 0.000 0.452 211 D N 0.806 121.067 120.400 -0.232 0.000 2.341 211 D HA 0.385 5.025 4.640 0.000 0.000 0.245 211 D C 0.260 176.427 176.300 -0.222 0.000 1.106 211 D CA 0.147 54.033 54.000 -0.190 0.000 0.905 211 D CB 1.192 41.901 40.800 -0.151 0.000 1.202 211 D HN 0.566 nan 8.370 nan 0.000 0.426 212 I N 0.966 121.447 120.570 -0.148 0.000 2.752 212 I HA 0.075 4.245 4.170 0.000 0.000 0.289 212 I C 1.674 177.722 176.117 -0.115 0.000 1.197 212 I CA 0.870 62.103 61.300 -0.113 0.000 1.432 212 I CB 0.286 38.253 38.000 -0.055 0.000 1.359 212 I HN 0.721 nan 8.210 nan 0.000 0.571 213 G N 3.410 112.145 108.800 -0.108 0.000 2.213 213 G HA2 -0.290 3.670 3.960 0.000 0.000 0.226 213 G HA3 -0.290 3.670 3.960 0.000 0.000 0.226 213 G C 1.001 175.825 174.900 -0.126 0.000 0.992 213 G CA 0.350 45.400 45.100 -0.083 0.000 0.632 213 G HN 0.561 nan 8.290 nan 0.000 0.511 214 S N 0.073 115.616 115.700 -0.261 0.000 2.382 214 S HA 0.209 4.679 4.470 0.000 0.000 0.228 214 S C 0.823 175.271 174.600 -0.252 0.000 1.027 214 S CA 0.839 58.839 58.200 -0.334 0.000 0.991 214 S CB -0.143 62.722 63.200 -0.558 0.000 0.823 214 S HN 0.383 nan 8.310 nan 0.000 0.469 215 F N 1.717 121.618 119.950 -0.081 0.000 2.384 215 F HA 0.567 5.094 4.527 0.000 0.000 0.338 215 F C 0.713 176.483 175.800 -0.049 0.000 1.103 215 F CA -2.065 55.886 58.000 -0.081 0.000 1.157 215 F CB 0.075 39.014 39.000 -0.101 0.000 1.167 215 F HN -0.029 nan 8.300 nan 0.000 0.529 216 A N 5.619 128.540 122.820 0.168 0.000 2.492 216 A HA 0.286 4.606 4.320 0.000 0.000 0.254 216 A C -1.359 176.278 177.584 0.088 0.000 1.091 216 A CA -1.056 51.038 52.037 0.095 0.000 0.768 216 A CB -0.241 18.801 19.000 0.071 0.000 1.028 216 A HN 0.591 nan 8.150 nan 0.000 0.498 217 P HA -0.165 nan 4.420 nan 0.000 0.219 217 P C 0.625 177.949 177.300 0.039 0.000 1.146 217 P CA 1.304 64.438 63.100 0.057 0.000 0.808 217 P CB 0.266 31.993 31.700 0.045 0.000 0.779 218 E N -0.091 120.132 120.200 0.039 0.000 2.268 218 E HA -0.103 4.247 4.350 0.000 0.000 0.195 218 E C 0.936 177.562 176.600 0.043 0.000 0.995 218 E CA 0.922 57.345 56.400 0.039 0.000 0.836 218 E CB -0.474 29.249 29.700 0.039 0.000 0.763 218 E HN 0.309 nan 8.360 nan 0.000 0.491 219 D N -0.182 120.231 120.400 0.023 0.000 2.463 219 D HA 0.119 4.759 4.640 0.000 0.000 0.224 219 D C -0.199 175.976 176.300 -0.209 0.000 1.174 219 D CA -0.019 53.979 54.000 -0.003 0.000 0.829 219 D CB 0.259 41.070 40.800 0.019 0.000 0.993 219 D HN 0.178 nan 8.370 nan 0.000 0.497 220 I N 1.018 121.488 120.570 -0.166 0.000 2.379 220 I HA 0.047 4.217 4.170 0.000 0.000 0.290 220 I C 1.433 177.497 176.117 -0.089 0.000 1.063 220 I CA -0.161 60.965 61.300 -0.291 0.000 1.351 220 I CB 0.707 38.627 38.000 -0.133 0.000 1.410 220 I HN -0.018 nan 8.210 nan 0.000 0.505 221 H N 5.976 125.009 119.070 -0.062 0.000 2.372 221 H HA 0.184 4.740 4.556 -0.000 0.000 0.301 221 H C 0.111 175.528 175.328 0.149 0.000 1.065 221 H CA 0.444 56.551 56.048 0.098 0.000 1.364 221 H CB 0.532 30.465 29.762 0.286 0.000 1.406 221 H HN 0.332 nan 8.280 nan 0.000 0.521 222 I N 2.029 122.743 120.570 0.238 0.000 2.411 222 I HA 0.231 4.402 4.170 0.000 0.000 0.284 222 I C -2.528 173.691 176.117 0.169 0.000 1.012 222 I CA -2.716 58.727 61.300 0.238 0.000 1.119 222 I CB 1.638 39.797 38.000 0.264 0.000 1.261 222 I HN -0.153 nan 8.210 nan 0.000 0.448 223 P HA 0.106 nan 4.420 nan 0.000 0.269 223 P C 0.804 178.160 177.300 0.093 0.000 1.215 223 P CA -0.319 62.850 63.100 0.115 0.000 0.780 223 P CB 0.583 32.328 31.700 0.075 0.000 0.898 224 K N 2.814 123.243 120.400 0.049 0.000 2.218 224 K HA -0.185 4.135 4.320 0.000 0.000 0.205 224 K C 1.719 178.326 176.600 0.012 0.000 1.046 224 K CA 1.541 57.853 56.287 0.042 0.000 0.933 224 K CB -0.966 31.566 32.500 0.053 0.000 0.728 224 K HN 0.331 nan 8.250 nan 0.000 0.454 225 I N 0.689 121.211 120.570 -0.079 0.000 2.315 225 I HA -0.313 3.857 4.170 0.000 0.000 0.251 225 I C 1.460 177.499 176.117 -0.131 0.000 1.125 225 I CA 1.451 62.655 61.300 -0.160 0.000 1.392 225 I CB 0.008 37.809 38.000 -0.332 0.000 1.065 225 I HN 0.125 nan 8.210 nan 0.000 0.424 226 Y N -0.069 120.245 120.300 0.024 0.000 2.475 226 Y HA 0.127 4.677 4.550 -0.000 0.000 0.289 226 Y C 0.926 176.692 175.900 -0.224 0.000 1.121 226 Y CA 0.027 58.089 58.100 -0.064 0.000 1.257 226 Y CB -0.354 38.083 38.460 -0.037 0.000 1.026 226 Y HN -0.160 nan 8.280 nan 0.000 0.555 227 V N 1.210 121.143 119.914 0.033 0.000 2.353 227 V HA 0.070 4.190 4.120 0.000 0.000 0.264 227 V C 0.320 176.437 176.094 0.038 0.000 1.049 227 V CA -0.195 62.084 62.300 -0.034 0.000 0.896 227 V CB 0.335 32.153 31.823 -0.008 0.000 1.025 227 V HN 0.451 nan 8.190 nan 0.000 0.475 228 H N 3.408 122.491 119.070 0.022 0.000 2.418 228 H HA 0.293 4.849 4.556 -0.000 0.000 0.300 228 H C 0.646 175.993 175.328 0.031 0.000 1.041 228 H CA 0.142 56.201 56.048 0.018 0.000 1.364 228 H CB 0.532 30.305 29.762 0.017 0.000 1.439 228 H HN 0.414 nan 8.280 nan 0.000 0.540 229 R N 1.028 121.611 120.500 0.138 0.000 2.575 229 R HA 0.417 4.757 4.340 0.000 0.000 0.293 229 R C -1.871 174.432 176.300 0.005 0.000 0.983 229 R CA -0.892 55.285 56.100 0.128 0.000 0.887 229 R CB 2.744 33.084 30.300 0.065 0.000 1.184 229 R HN -0.032 nan 8.270 nan 0.000 0.445 230 L N 2.896 124.098 121.223 -0.035 0.000 2.385 230 L HA 0.614 4.954 4.340 0.000 0.000 0.273 230 L C -1.377 175.528 176.870 0.059 0.000 0.990 230 L CA -0.798 53.972 54.840 -0.116 0.000 0.821 230 L CB 2.127 43.908 42.059 -0.463 0.000 1.279 230 L HN 0.441 nan 8.230 nan 0.000 0.412 231 V N 5.003 124.970 119.914 0.088 0.000 2.789 231 V HA 0.517 4.637 4.120 0.000 0.000 0.311 231 V C -0.760 175.428 176.094 0.156 0.000 1.073 231 V CA -0.823 61.568 62.300 0.153 0.000 0.921 231 V CB 2.085 33.969 31.823 0.101 0.000 1.009 231 V HN 0.868 nan 8.190 nan 0.000 0.426 232 K N 4.596 125.103 120.400 0.178 0.000 2.276 232 K HA 0.558 4.878 4.320 0.000 0.000 0.285 232 K C 0.321 177.020 176.600 0.165 0.000 1.062 232 K CA 0.048 56.444 56.287 0.182 0.000 0.918 232 K CB 0.811 33.409 32.500 0.163 0.000 1.055 232 K HN 0.969 nan 8.250 nan 0.000 0.477 233 G N 2.878 111.821 108.800 0.238 0.000 2.398 233 G HA2 -0.056 3.904 3.960 0.000 0.000 0.246 233 G HA3 -0.056 3.904 3.960 0.000 0.000 0.246 233 G C 0.410 175.282 174.900 -0.048 0.000 1.289 233 G CA -0.294 44.832 45.100 0.044 0.000 0.869 233 G HN 0.946 nan 8.290 nan 0.000 0.543 234 E N 1.412 121.535 120.200 -0.129 0.000 2.046 234 E HA -0.026 4.324 4.350 0.000 0.000 0.190 234 E C 0.871 177.400 176.600 -0.117 0.000 0.982 234 E CA 0.741 57.097 56.400 -0.072 0.000 0.800 234 E CB 0.105 29.775 29.700 -0.049 0.000 0.756 234 E HN 0.442 nan 8.360 nan 0.000 0.449 235 K N -0.289 119.948 120.400 -0.272 0.000 2.397 235 K HA 0.225 4.545 4.320 0.000 0.000 0.253 235 K C -1.995 174.360 176.600 -0.409 0.000 0.932 235 K CA -0.563 55.604 56.287 -0.200 0.000 0.795 235 K CB 1.092 33.539 32.500 -0.088 0.000 1.159 235 K HN -0.087 nan 8.250 nan 0.000 0.424 236 Y N 2.389 122.744 120.300 0.092 0.000 2.363 236 Y HA 0.197 4.747 4.550 0.000 0.000 0.325 236 Y C 0.316 176.271 175.900 0.093 0.000 0.984 236 Y CA -0.663 57.500 58.100 0.106 0.000 1.248 236 Y CB 1.976 40.496 38.460 0.100 0.000 1.116 236 Y HN 0.696 nan 8.280 nan 0.000 0.470 237 E N 2.176 122.520 120.200 0.239 0.000 2.481 237 E HA -0.027 4.323 4.350 0.000 0.000 0.195 237 E C 0.146 176.799 176.600 0.088 0.000 1.047 237 E CA 0.080 56.552 56.400 0.120 0.000 0.867 237 E CB 0.180 29.907 29.700 0.044 0.000 0.858 237 E HN 0.431 nan 8.360 nan 0.000 0.513 238 K N 1.409 121.897 120.400 0.148 0.000 3.071 238 K HA -0.209 4.111 4.320 0.000 0.000 0.262 238 K C -0.509 176.117 176.600 0.044 0.000 0.977 238 K CA 0.615 56.957 56.287 0.091 0.000 0.721 238 K CB -1.482 31.053 32.500 0.060 0.000 1.293 238 K HN 0.277 nan 8.250 nan 0.000 0.475 239 R N 0.218 120.744 120.500 0.045 0.000 2.491 239 R HA 0.316 4.656 4.340 0.000 0.000 0.283 239 R C 0.757 177.066 176.300 0.015 0.000 1.072 239 R CA -0.034 56.044 56.100 -0.036 0.000 1.048 239 R CB 0.489 30.684 30.300 -0.175 0.000 0.983 239 R HN 0.168 nan 8.270 nan 0.000 0.450 240 I N 1.890 122.453 120.570 -0.011 0.000 2.389 240 I HA 0.067 4.237 4.170 0.000 0.000 0.288 240 I C 1.368 177.486 176.117 0.002 0.000 0.999 240 I CA -0.217 61.088 61.300 0.008 0.000 1.129 240 I CB 1.976 39.975 38.000 -0.002 0.000 1.288 240 I HN 0.721 nan 8.210 nan 0.000 0.444 241 E N 5.976 126.190 120.200 0.024 0.000 2.028 241 E HA 0.043 4.393 4.350 0.000 0.000 0.190 241 E C 0.412 177.017 176.600 0.007 0.000 0.984 241 E CA 0.947 57.360 56.400 0.021 0.000 0.800 241 E CB 0.483 30.206 29.700 0.039 0.000 0.758 241 E HN 0.463 nan 8.360 nan 0.000 0.448 242 R N 1.046 121.550 120.500 0.008 0.000 2.358 242 R HA 0.254 4.594 4.340 0.000 0.000 0.309 242 R C -1.295 174.984 176.300 -0.035 0.000 1.026 242 R CA -0.610 55.482 56.100 -0.013 0.000 0.909 242 R CB 1.292 31.589 30.300 -0.006 0.000 1.153 242 R HN 0.099 nan 8.270 nan 0.000 0.515 243 L N 2.523 123.719 121.223 -0.045 0.000 2.407 243 L HA 0.163 4.503 4.340 0.000 0.000 0.282 243 L C -0.600 176.203 176.870 -0.112 0.000 1.110 243 L CA 0.745 55.550 54.840 -0.059 0.000 0.863 243 L CB 0.873 42.906 42.059 -0.043 0.000 1.207 243 L HN 0.415 nan 8.230 nan 0.000 0.454 244 S N 4.024 119.621 115.700 -0.173 0.000 2.566 244 S HA 0.738 5.208 4.470 0.000 0.000 0.324 244 S C -0.589 173.864 174.600 -0.246 0.000 1.081 244 S CA -0.584 57.401 58.200 -0.357 0.000 1.105 244 S CB 1.349 64.091 63.200 -0.763 0.000 0.981 244 S HN 0.372 nan 8.310 nan 0.000 0.464 245 V N 3.848 123.673 119.914 -0.148 0.000 3.040 245 V HA 0.718 4.838 4.120 0.000 0.000 0.312 245 V C -0.146 175.958 176.094 0.017 0.000 1.115 245 V CA -1.169 61.115 62.300 -0.026 0.000 0.998 245 V CB 2.370 34.182 31.823 -0.019 0.000 1.042 245 V HN 0.940 nan 8.190 nan 0.000 0.433 266 I N 1.590 122.012 120.570 -0.246 0.000 2.353 266 I HA -0.172 3.998 4.170 0.000 0.000 0.248 266 I C 1.917 177.892 176.117 -0.236 0.000 1.119 266 I CA 1.389 62.564 61.300 -0.209 0.000 1.417 266 I CB -0.081 37.830 38.000 -0.148 0.000 1.078 266 I HN 0.195 nan 8.210 nan 0.000 0.421 267 I N 0.660 121.051 120.570 -0.299 0.000 2.546 267 I HA -0.211 3.959 4.170 0.000 0.000 0.255 267 I C 2.241 178.041 176.117 -0.528 0.000 1.163 267 I CA 1.266 62.321 61.300 -0.409 0.000 1.457 267 I CB -0.329 37.353 38.000 -0.530 0.000 1.092 267 I HN 0.064 nan 8.210 nan 0.000 0.434 268 K N 0.295 120.399 120.400 -0.492 0.000 2.296 268 K HA -0.104 4.216 4.320 0.000 0.000 0.200 268 K C 2.171 178.646 176.600 -0.208 0.000 1.048 268 K CA 0.627 56.698 56.287 -0.360 0.000 0.966 268 K CB 0.039 32.399 32.500 -0.233 0.000 0.754 268 K HN 0.050 nan 8.250 nan 0.000 0.466 269 R N 0.919 121.295 120.500 -0.207 0.000 2.112 269 R HA 0.135 4.475 4.340 0.000 0.000 0.216 269 R C 1.847 178.030 176.300 -0.196 0.000 1.080 269 R CA 1.247 57.255 56.100 -0.154 0.000 0.996 269 R CB -0.467 29.759 30.300 -0.124 0.000 0.902 269 R HN 0.077 nan 8.270 nan 0.000 0.449 270 A N 0.745 123.418 122.820 -0.244 0.000 1.902 270 A HA -0.020 4.300 4.320 0.000 0.000 0.217 270 A C 2.326 179.607 177.584 -0.506 0.000 1.181 270 A CA 1.707 53.563 52.037 -0.302 0.000 0.623 270 A CB -1.067 17.776 19.000 -0.261 0.000 0.818 270 A HN 0.452 nan 8.150 nan 0.000 0.443 271 A N -0.322 122.211 122.820 -0.478 0.000 2.076 271 A HA -0.017 4.303 4.320 0.000 0.000 0.220 271 A C 1.960 179.282 177.584 -0.437 0.000 1.160 271 A CA 1.350 53.045 52.037 -0.570 0.000 0.653 271 A CB -0.585 18.352 19.000 -0.105 0.000 0.801 271 A HN 0.501 nan 8.150 nan 0.000 0.455 272 L N -0.502 120.561 121.223 -0.267 0.000 2.551 272 L HA -0.061 4.279 4.340 0.000 0.000 0.228 272 L C 1.930 178.711 176.870 -0.149 0.000 1.153 272 L CA 0.414 55.170 54.840 -0.140 0.000 0.851 272 L CB -0.356 41.652 42.059 -0.086 0.000 0.959 272 L HN 0.334 nan 8.230 nan 0.000 0.451 273 E N 0.166 120.199 120.200 -0.279 0.000 2.358 273 E HA -0.020 4.330 4.350 0.000 0.000 0.195 273 E C 0.253 176.818 176.600 -0.059 0.000 1.010 273 E CA 0.287 56.577 56.400 -0.183 0.000 0.856 273 E CB 0.060 29.630 29.700 -0.216 0.000 0.795 273 E HN 0.208 nan 8.360 nan 0.000 0.504 274 F N 2.042 121.984 119.950 -0.013 0.000 2.529 274 F HA 0.106 4.633 4.527 -0.000 0.000 0.365 274 F C 1.139 176.923 175.800 -0.027 0.000 1.102 274 F CA -0.175 57.811 58.000 -0.023 0.000 1.271 274 F CB 0.246 39.228 39.000 -0.030 0.000 1.120 274 F HN -0.223 nan 8.300 nan 0.000 0.579 275 E N 0.359 120.660 120.200 0.168 0.000 2.281 275 E HA 0.216 4.566 4.350 0.000 0.000 0.262 275 E C -1.341 175.262 176.600 0.005 0.000 0.933 275 E CA -1.130 55.310 56.400 0.067 0.000 0.809 275 E CB 1.454 31.182 29.700 0.046 0.000 1.242 275 E HN 0.427 nan 8.360 nan 0.000 0.418 276 D N -0.539 119.849 120.400 -0.019 0.000 2.425 276 D HA 0.239 4.879 4.640 0.000 0.000 0.247 276 D C 0.782 177.030 176.300 -0.087 0.000 1.147 276 D CA 1.616 55.576 54.000 -0.066 0.000 0.879 276 D CB 0.488 41.261 40.800 -0.045 0.000 1.179 276 D HN 0.603 nan 8.370 nan 0.000 0.456 277 G N 3.303 112.008 108.800 -0.159 0.000 2.162 277 G HA2 -0.321 3.639 3.960 0.000 0.000 0.260 277 G HA3 -0.321 3.639 3.960 0.000 0.000 0.260 277 G C 0.477 175.235 174.900 -0.237 0.000 0.976 277 G CA 0.402 45.405 45.100 -0.161 0.000 0.655 277 G HN 0.593 nan 8.290 nan 0.000 0.533 278 M N 0.415 119.885 119.600 -0.216 0.000 2.233 278 M HA 0.588 5.068 4.480 0.000 0.000 0.350 278 M C -0.398 175.738 176.300 -0.274 0.000 1.176 278 M CA -0.429 54.780 55.300 -0.152 0.000 1.150 278 M CB 0.384 32.965 32.600 -0.032 0.000 1.530 278 M HN 0.102 nan 8.290 nan 0.000 0.459 279 Y N 3.481 123.816 120.300 0.058 0.000 2.385 279 Y HA 0.602 5.152 4.550 0.000 0.000 0.341 279 Y C 0.070 175.989 175.900 0.032 0.000 0.965 279 Y CA -0.537 57.593 58.100 0.049 0.000 1.180 279 Y CB 1.058 39.541 38.460 0.037 0.000 1.139 279 Y HN 0.719 nan 8.280 nan 0.000 0.502 280 A N 3.763 126.656 122.820 0.121 0.000 2.386 280 A HA 0.546 4.866 4.320 0.000 0.000 0.311 280 A C -1.026 176.609 177.584 0.085 0.000 1.068 280 A CA -0.881 51.218 52.037 0.103 0.000 0.743 280 A CB 1.276 20.327 19.000 0.085 0.000 1.258 280 A HN 0.675 nan 8.150 nan 0.000 0.429 281 N N 2.156 120.915 118.700 0.099 0.000 2.372 281 N HA 0.512 5.252 4.740 0.000 0.000 0.291 281 N C -1.588 173.975 175.510 0.089 0.000 1.024 281 N CA -0.293 52.798 53.050 0.070 0.000 0.873 281 N CB 1.116 39.633 38.487 0.050 0.000 1.206 281 N HN 0.604 nan 8.380 nan 0.000 0.486 282 L N 2.622 123.888 121.223 0.073 0.000 2.280 282 L HA 0.461 4.801 4.340 0.000 0.000 0.287 282 L C 1.328 178.237 176.870 0.066 0.000 1.023 282 L CA -0.880 54.011 54.840 0.084 0.000 0.819 282 L CB 1.484 43.598 42.059 0.091 0.000 1.212 282 L HN 0.524 nan 8.230 nan 0.000 0.420 283 G N 3.419 112.258 108.800 0.066 0.000 2.621 283 G HA2 0.453 4.413 3.960 0.000 0.000 0.271 283 G HA3 0.453 4.413 3.960 0.000 0.000 0.271 283 G C 0.040 174.970 174.900 0.050 0.000 1.236 283 G CA -0.723 44.411 45.100 0.057 0.000 0.958 283 G HN 0.455 nan 8.290 nan 0.000 0.512 284 I N 0.856 121.439 120.570 0.021 0.000 2.634 284 I HA 0.399 4.569 4.170 0.000 0.000 0.284 284 I C 1.254 177.392 176.117 0.037 0.000 1.124 284 I CA 1.481 62.785 61.300 0.008 0.000 1.417 284 I CB 0.676 38.612 38.000 -0.108 0.000 1.396 284 I HN 0.958 nan 8.210 nan 0.000 0.571 285 G N 5.048 113.883 108.800 0.058 0.000 2.715 285 G HA2 -0.222 3.738 3.960 0.000 0.000 0.221 285 G HA3 -0.222 3.738 3.960 0.000 0.000 0.221 285 G C 0.489 175.429 174.900 0.067 0.000 1.204 285 G CA -0.055 45.083 45.100 0.064 0.000 1.063 285 G HN 0.495 nan 8.290 nan 0.000 0.586 286 I N 2.688 123.286 120.570 0.047 0.000 2.226 286 I HA -0.053 4.117 4.170 0.000 0.000 0.245 286 I C -0.052 176.087 176.117 0.037 0.000 1.100 286 I CA 1.968 63.288 61.300 0.033 0.000 1.374 286 I CB -0.917 37.084 38.000 0.003 0.000 1.057 286 I HN 0.304 nan 8.210 nan 0.000 0.413 287 P HA -0.182 nan 4.420 nan 0.000 0.217 287 P C 1.888 179.237 177.300 0.082 0.000 1.148 287 P CA 1.418 64.549 63.100 0.051 0.000 0.828 287 P CB -0.074 31.662 31.700 0.060 0.000 0.783 288 L N -1.985 119.296 121.223 0.096 0.000 2.129 288 L HA -0.209 4.131 4.340 0.000 0.000 0.212 288 L C 2.106 179.042 176.870 0.110 0.000 1.087 288 L CA 1.177 56.088 54.840 0.119 0.000 0.757 288 L CB -1.005 41.153 42.059 0.164 0.000 0.896 288 L HN -0.005 nan 8.230 nan 0.000 0.434 289 L N -0.231 121.075 121.223 0.138 0.000 2.275 289 L HA -0.105 4.235 4.340 0.000 0.000 0.215 289 L C 2.590 179.575 176.870 0.191 0.000 1.119 289 L CA 1.430 56.365 54.840 0.158 0.000 0.790 289 L CB -0.869 41.313 42.059 0.207 0.000 0.919 289 L HN 0.153 nan 8.230 nan 0.000 0.443 290 A N -0.860 122.057 122.820 0.163 0.000 2.248 290 A HA -0.115 4.205 4.320 0.000 0.000 0.210 290 A C 2.421 180.170 177.584 0.274 0.000 1.174 290 A CA 1.197 53.396 52.037 0.271 0.000 0.750 290 A CB -0.671 18.474 19.000 0.241 0.000 0.780 290 A HN 0.490 nan 8.150 nan 0.000 0.478 291 S N 0.099 115.847 115.700 0.081 0.000 2.489 291 S HA -0.064 4.406 4.470 0.000 0.000 0.228 291 S C 1.260 175.803 174.600 -0.096 0.000 0.995 291 S CA 0.875 59.050 58.200 -0.042 0.000 0.934 291 S CB -0.468 62.660 63.200 -0.120 0.000 0.771 291 S HN 0.643 nan 8.310 nan 0.000 0.522 292 N N 0.266 118.905 118.700 -0.101 0.000 2.412 292 N HA 0.154 4.894 4.740 0.000 0.000 0.184 292 N C -0.544 174.744 175.510 -0.370 0.000 1.101 292 N CA 0.451 53.341 53.050 -0.267 0.000 0.881 292 N CB 0.020 38.270 38.487 -0.395 0.000 0.969 292 N HN 0.494 nan 8.380 nan 0.000 0.459 293 F N 1.086 121.031 119.950 -0.009 0.000 2.928 293 F HA 0.428 4.955 4.527 -0.000 0.000 0.337 293 F C 0.347 176.201 175.800 0.089 0.000 1.259 293 F CA -0.493 57.530 58.000 0.039 0.000 1.267 293 F CB 0.225 39.254 39.000 0.048 0.000 0.986 293 F HN -0.225 nan 8.300 nan 0.000 0.507 294 I N 0.466 121.103 120.570 0.111 0.000 2.396 294 I HA 0.052 4.222 4.170 0.000 0.000 0.289 294 I C 0.958 177.094 176.117 0.032 0.000 1.056 294 I CA -0.310 61.020 61.300 0.049 0.000 1.365 294 I CB 0.911 38.864 38.000 -0.080 0.000 1.407 294 I HN 0.094 nan 8.210 nan 0.000 0.509 295 S N 7.798 123.535 115.700 0.062 0.000 2.549 295 S HA 0.126 4.596 4.470 0.000 0.000 0.286 295 S C -1.325 173.269 174.600 -0.011 0.000 1.314 295 S CA -0.974 57.246 58.200 0.034 0.000 1.062 295 S CB 0.860 64.089 63.200 0.047 0.000 0.865 295 S HN 0.400 nan 8.310 nan 0.000 0.498 296 P HA -0.028 nan 4.420 nan 0.000 0.218 296 P C 0.847 178.129 177.300 -0.030 0.000 1.149 296 P CA 0.896 63.978 63.100 -0.029 0.000 0.817 296 P CB 0.050 31.736 31.700 -0.023 0.000 0.785 297 N N -1.132 117.557 118.700 -0.019 0.000 2.396 297 N HA -0.028 4.712 4.740 0.000 0.000 0.180 297 N C 0.894 176.385 175.510 -0.031 0.000 1.028 297 N CA 0.580 53.618 53.050 -0.020 0.000 0.893 297 N CB -0.280 38.202 38.487 -0.009 0.000 0.967 297 N HN 0.271 nan 8.380 nan 0.000 0.440 298 M N 0.415 119.993 119.600 -0.036 0.000 2.367 298 M HA 0.168 4.648 4.480 0.000 0.000 0.339 298 M C -0.821 175.410 176.300 -0.114 0.000 1.177 298 M CA -0.129 55.137 55.300 -0.057 0.000 1.068 298 M CB 1.278 33.864 32.600 -0.024 0.000 1.602 298 M HN -0.214 nan 8.290 nan 0.000 0.457 299 T N 3.803 118.259 114.554 -0.164 0.000 2.788 299 T HA 0.548 4.898 4.350 0.000 0.000 0.296 299 T C -0.971 173.473 174.700 -0.428 0.000 1.009 299 T CA -0.515 61.414 62.100 -0.285 0.000 0.949 299 T CB 0.578 69.290 68.868 -0.261 0.000 0.946 299 T HN 0.446 nan 8.240 nan 0.000 0.453 300 V N 4.672 124.283 119.914 -0.505 0.000 2.540 300 V HA 0.392 4.512 4.120 0.000 0.000 0.302 300 V C -0.473 175.238 176.094 -0.637 0.000 1.035 300 V CA -1.055 60.902 62.300 -0.572 0.000 0.873 300 V CB 1.628 33.088 31.823 -0.604 0.000 0.992 300 V HN 0.802 nan 8.190 nan 0.000 0.428 301 H N 5.247 124.111 119.070 -0.345 0.000 2.597 301 H HA 0.492 5.048 4.556 0.000 0.000 0.303 301 H C -0.650 174.603 175.328 -0.125 0.000 1.057 301 H CA -0.313 55.604 56.048 -0.219 0.000 1.261 301 H CB 1.562 31.172 29.762 -0.252 0.000 1.397 301 H HN 0.432 nan 8.280 nan 0.000 0.461 302 L N 3.264 124.475 121.223 -0.021 0.000 2.272 302 L HA 0.220 4.560 4.340 0.000 0.000 0.289 302 L C 0.587 177.469 176.870 0.020 0.000 1.032 302 L CA -0.429 54.386 54.840 -0.043 0.000 0.810 302 L CB 1.407 43.401 42.059 -0.109 0.000 1.205 302 L HN 0.392 nan 8.230 nan 0.000 0.422 303 Q N 2.390 122.216 119.800 0.043 0.000 2.257 303 Q HA 0.322 4.662 4.340 0.000 0.000 0.255 303 Q C -1.076 174.913 176.000 -0.019 0.000 0.920 303 Q CA -0.098 55.728 55.803 0.039 0.000 0.927 303 Q CB 2.116 30.887 28.738 0.056 0.000 1.229 303 Q HN 0.572 nan 8.270 nan 0.000 0.433 304 S N 2.076 117.733 115.700 -0.071 0.000 2.449 304 S HA 0.131 4.601 4.470 0.000 0.000 0.310 304 S C 0.891 175.360 174.600 -0.219 0.000 1.096 304 S CA -0.499 57.625 58.200 -0.126 0.000 1.095 304 S CB 0.852 63.967 63.200 -0.142 0.000 1.007 304 S HN 0.700 nan 8.310 nan 0.000 0.474 305 E N 3.723 123.785 120.200 -0.230 0.000 2.204 305 E HA -0.204 4.146 4.350 0.000 0.000 0.195 305 E C 1.045 177.392 176.600 -0.421 0.000 0.990 305 E CA 1.255 57.435 56.400 -0.367 0.000 0.821 305 E CB -0.411 29.153 29.700 -0.228 0.000 0.750 305 E HN 0.722 nan 8.360 nan 0.000 0.477 306 N N 1.171 119.513 118.700 -0.597 0.000 2.571 306 N HA -0.034 4.706 4.740 0.000 0.000 0.189 306 N C 0.840 176.009 175.510 -0.568 0.000 1.154 306 N CA 1.047 53.565 53.050 -0.886 0.000 0.907 306 N CB 0.553 37.998 38.487 -1.736 0.000 0.977 306 N HN 0.357 nan 8.380 nan 0.000 0.449 307 G N 0.245 108.723 108.800 -0.536 0.000 2.462 307 G HA2 -0.039 3.921 3.960 0.000 0.000 0.124 307 G HA3 -0.039 3.921 3.960 0.000 0.000 0.124 307 G C -0.743 173.456 174.900 -1.169 0.000 1.062 307 G CA -0.464 44.148 45.100 -0.814 0.000 0.764 307 G HN 0.285 nan 8.290 nan 0.000 0.485 308 I N -0.002 120.058 120.570 -0.849 0.000 2.533 308 I HA 0.592 4.762 4.170 0.000 0.000 0.290 308 I C -0.708 175.244 176.117 -0.274 0.000 1.056 308 I CA -1.266 59.670 61.300 -0.607 0.000 1.057 308 I CB 2.118 39.953 38.000 -0.275 0.000 1.240 308 I HN 0.085 nan 8.210 nan 0.000 0.423 309 L N 5.444 126.601 121.223 -0.111 0.000 2.325 309 L HA 0.824 5.164 4.340 0.000 0.000 0.281 309 L C 0.360 177.203 176.870 -0.044 0.000 1.004 309 L CA 0.196 55.076 54.840 0.067 0.000 0.823 309 L CB 1.370 43.550 42.059 0.200 0.000 1.236 309 L HN 0.828 nan 8.230 nan 0.000 0.415 310 G N 4.620 113.415 108.800 -0.009 0.000 2.237 310 G HA2 -0.140 3.820 3.960 0.000 0.000 0.153 310 G HA3 -0.140 3.820 3.960 0.000 0.000 0.153 310 G C -0.219 174.639 174.900 -0.069 0.000 1.039 310 G CA -0.306 44.782 45.100 -0.019 0.000 0.719 310 G HN 0.591 nan 8.290 nan 0.000 0.491 311 L N 0.862 122.044 121.223 -0.069 0.000 2.513 311 L HA 0.428 4.768 4.340 0.000 0.000 0.272 311 L C 1.535 178.357 176.870 -0.079 0.000 1.187 311 L CA 0.795 55.593 54.840 -0.069 0.000 0.895 311 L CB 0.551 42.575 42.059 -0.058 0.000 1.147 311 L HN 0.369 nan 8.230 nan 0.000 0.483 312 G N 4.480 113.239 108.800 -0.069 0.000 2.583 312 G HA2 0.562 4.522 3.960 0.000 0.000 0.280 312 G HA3 0.562 4.522 3.960 0.000 0.000 0.280 312 G C -2.632 172.204 174.900 -0.106 0.000 1.376 312 G CA -0.863 44.189 45.100 -0.080 0.000 1.043 312 G HN 0.398 nan 8.290 nan 0.000 0.538 313 P HA 0.194 nan 4.420 nan 0.000 0.277 313 P C -0.938 176.301 177.300 -0.101 0.000 1.271 313 P CA -0.543 62.443 63.100 -0.189 0.000 0.795 313 P CB 0.471 32.079 31.700 -0.153 0.000 1.101 314 Y N -0.066 120.231 120.300 -0.006 0.000 2.578 314 Y HA 0.106 4.656 4.550 0.000 0.000 0.339 314 Y C -1.267 174.629 175.900 -0.007 0.000 1.231 314 Y CA -1.755 56.346 58.100 0.002 0.000 1.461 314 Y CB -1.370 37.095 38.460 0.008 0.000 1.323 314 Y HN 0.310 nan 8.280 nan 0.000 0.590 315 P HA 0.164 nan 4.420 nan 0.000 0.276 315 P C -0.421 176.917 177.300 0.064 0.000 1.252 315 P CA -0.292 62.858 63.100 0.085 0.000 0.802 315 P CB 1.127 32.865 31.700 0.064 0.000 1.035 316 L N 0.542 121.787 121.223 0.037 0.000 2.479 316 L HA 0.103 4.443 4.340 0.000 0.000 0.248 316 L C 2.403 179.284 176.870 0.018 0.000 1.205 316 L CA -0.251 54.603 54.840 0.024 0.000 0.817 316 L CB -0.187 41.882 42.059 0.015 0.000 1.162 316 L HN 0.370 nan 8.230 nan 0.000 0.486 317 Q N 1.478 121.284 119.800 0.011 0.000 2.061 317 Q HA -0.239 4.101 4.340 0.000 0.000 0.204 317 Q C 1.680 177.684 176.000 0.006 0.000 0.984 317 Q CA 2.420 58.227 55.803 0.006 0.000 0.846 317 Q CB -0.216 28.524 28.738 0.003 0.000 0.902 317 Q HN 0.735 nan 8.270 nan 0.000 0.421 318 N N -0.357 118.347 118.700 0.007 0.000 2.459 318 N HA -0.147 4.593 4.740 0.000 0.000 0.181 318 N C 0.994 176.508 175.510 0.008 0.000 1.046 318 N CA 1.241 54.295 53.050 0.007 0.000 0.904 318 N CB -0.183 38.308 38.487 0.007 0.000 0.964 318 N HN 0.465 nan 8.380 nan 0.000 0.444 319 E N 0.299 120.506 120.200 0.011 0.000 2.371 319 E HA 0.074 4.424 4.350 0.000 0.000 0.194 319 E C -0.056 176.551 176.600 0.012 0.000 1.012 319 E CA -0.105 56.303 56.400 0.013 0.000 0.860 319 E CB 0.434 30.145 29.700 0.019 0.000 0.811 319 E HN 0.079 nan 8.360 nan 0.000 0.502 320 V N 2.633 122.554 119.914 0.011 0.000 2.644 320 V HA -0.073 4.047 4.120 0.000 0.000 0.305 320 V C 0.012 176.106 176.094 -0.000 0.000 1.053 320 V CA 0.753 63.059 62.300 0.009 0.000 1.186 320 V CB 0.456 32.282 31.823 0.004 0.000 0.895 320 V HN 0.122 nan 8.190 nan 0.000 0.490 321 D N 3.218 123.617 120.400 -0.002 0.000 2.936 321 D HA 0.545 5.185 4.640 0.000 0.000 0.238 321 D C 0.427 176.717 176.300 -0.017 0.000 1.248 321 D CA -0.029 53.958 54.000 -0.020 0.000 0.903 321 D CB 2.219 42.996 40.800 -0.038 0.000 1.544 321 D HN 0.448 nan 8.370 nan 0.000 0.543 322 A N 2.947 125.756 122.820 -0.019 0.000 2.066 322 A HA -0.076 4.244 4.320 0.000 0.000 0.218 322 A C 1.172 178.750 177.584 -0.011 0.000 1.157 322 A CA 0.974 53.011 52.037 -0.000 0.000 0.670 322 A CB 0.023 19.031 19.000 0.014 0.000 0.804 322 A HN 0.491 nan 8.150 nan 0.000 0.453 323 D N -1.184 119.178 120.400 -0.064 0.000 2.336 323 D HA 0.194 4.834 4.640 0.000 0.000 0.229 323 D C -0.436 175.790 176.300 -0.124 0.000 1.061 323 D CA 0.412 54.346 54.000 -0.111 0.000 0.875 323 D CB 0.379 41.052 40.800 -0.211 0.000 0.904 323 D HN 0.269 nan 8.370 nan 0.000 0.525 324 L N 1.607 122.796 121.223 -0.056 0.000 2.471 324 L HA 0.398 4.738 4.340 0.000 0.000 0.263 324 L C -0.993 175.898 176.870 0.034 0.000 0.985 324 L CA -0.764 54.064 54.840 -0.020 0.000 0.868 324 L CB 0.777 42.836 42.059 -0.000 0.000 1.203 324 L HN -0.055 nan 8.230 nan 0.000 0.429 325 I N 1.402 122.003 120.570 0.050 0.000 2.865 325 I HA 0.693 4.863 4.170 0.000 0.000 0.302 325 I C -0.651 175.520 176.117 0.090 0.000 1.140 325 I CA -0.852 60.506 61.300 0.097 0.000 1.021 325 I CB 2.168 40.254 38.000 0.143 0.000 1.233 325 I HN 0.562 nan 8.210 nan 0.000 0.427 326 N N 3.685 122.459 118.700 0.123 0.000 2.374 326 N HA 0.337 5.077 4.740 0.000 0.000 0.284 326 N C 0.936 176.549 175.510 0.173 0.000 1.280 326 N CA 0.056 53.166 53.050 0.101 0.000 0.963 326 N CB 0.348 38.907 38.487 0.120 0.000 1.141 326 N HN 0.843 nan 8.380 nan 0.000 0.565 327 A N -0.829 122.078 122.820 0.144 0.000 1.940 327 A HA 0.020 4.340 4.320 0.000 0.000 0.219 327 A C 1.860 179.608 177.584 0.272 0.000 1.176 327 A CA 1.806 54.001 52.037 0.265 0.000 0.631 327 A CB -1.541 17.545 19.000 0.143 0.000 0.814 327 A HN 0.814 nan 8.150 nan 0.000 0.446 328 G N -1.630 107.265 108.800 0.159 0.000 3.026 328 G HA2 0.249 4.209 3.960 0.000 0.000 0.208 328 G HA3 0.249 4.209 3.960 0.000 0.000 0.208 328 G C 0.620 175.592 174.900 0.121 0.000 1.169 328 G CA 0.531 45.694 45.100 0.104 0.000 0.788 328 G HN 0.565 nan 8.290 nan 0.000 0.533 329 K N -0.887 119.621 120.400 0.178 0.000 3.423 329 K HA -0.149 4.171 4.320 0.000 0.000 0.306 329 K C -0.171 176.495 176.600 0.111 0.000 1.331 329 K CA 0.804 57.182 56.287 0.153 0.000 0.905 329 K CB -1.368 31.181 32.500 0.081 0.000 1.332 329 K HN 0.559 nan 8.250 nan 0.000 0.473 330 E N 1.532 121.803 120.200 0.117 0.000 2.301 330 E HA 0.142 4.492 4.350 0.000 0.000 0.275 330 E C 0.342 177.003 176.600 0.102 0.000 1.030 330 E CA -0.251 56.195 56.400 0.076 0.000 0.852 330 E CB 0.819 30.573 29.700 0.090 0.000 1.060 330 E HN 0.201 nan 8.360 nan 0.000 0.401 331 T N -0.570 114.015 114.554 0.052 0.000 2.902 331 T HA 0.288 4.638 4.350 0.000 0.000 0.301 331 T C 0.328 175.124 174.700 0.160 0.000 1.012 331 T CA -0.782 61.362 62.100 0.073 0.000 1.151 331 T CB 0.209 69.095 68.868 0.030 0.000 0.946 331 T HN 0.318 nan 8.240 nan 0.000 0.542 332 V N -0.291 119.708 119.914 0.143 0.000 3.167 332 V HA 0.961 5.081 4.120 0.000 0.000 0.310 332 V C -0.018 176.130 176.094 0.090 0.000 1.207 332 V CA -0.751 61.644 62.300 0.159 0.000 1.059 332 V CB 1.631 33.529 31.823 0.125 0.000 1.079 332 V HN 1.247 nan 8.190 nan 0.000 0.446 333 T N -0.731 113.859 114.554 0.059 0.000 2.927 333 T HA 0.870 5.220 4.350 0.000 0.000 0.286 333 T C -0.264 174.442 174.700 0.011 0.000 1.040 333 T CA -0.220 61.901 62.100 0.034 0.000 1.010 333 T CB 1.566 70.445 68.868 0.019 0.000 1.177 333 T HN 2.053 nan 8.240 nan 0.000 0.546 334 V N -0.447 119.470 119.914 0.005 0.000 2.628 334 V HA 0.716 4.836 4.120 0.000 0.000 0.306 334 V C -0.239 175.832 176.094 -0.039 0.000 1.045 334 V CA -1.279 60.999 62.300 -0.037 0.000 0.905 334 V CB 0.922 32.700 31.823 -0.074 0.000 0.997 334 V HN 0.965 nan 8.190 nan 0.000 0.436 335 L N 2.844 124.035 121.223 -0.052 0.000 2.468 335 L HA 0.489 4.829 4.340 0.000 0.000 0.254 335 L C -2.022 174.827 176.870 -0.034 0.000 1.171 335 L CA -1.665 53.149 54.840 -0.042 0.000 0.809 335 L CB 0.532 42.561 42.059 -0.050 0.000 1.155 335 L HN 0.453 nan 8.230 nan 0.000 0.473 336 P HA 0.094 nan 4.420 nan 0.000 0.268 336 P C 0.445 177.741 177.300 -0.008 0.000 1.205 336 P CA 0.449 63.541 63.100 -0.013 0.000 0.771 336 P CB 0.621 32.317 31.700 -0.007 0.000 0.858 337 G N 0.877 109.669 108.800 -0.014 0.000 2.136 337 G HA2 -0.077 3.884 3.960 0.000 0.000 0.242 337 G HA3 -0.077 3.884 3.960 0.000 0.000 0.242 337 G C 0.395 175.272 174.900 -0.039 0.000 0.989 337 G CA -0.046 45.046 45.100 -0.014 0.000 0.682 337 G HN 0.835 nan 8.290 nan 0.000 0.522 338 A N -0.404 122.368 122.820 -0.080 0.000 2.287 338 A HA 0.929 5.249 4.320 0.000 0.000 0.273 338 A C 0.723 178.172 177.584 -0.226 0.000 1.091 338 A CA 0.758 52.701 52.037 -0.156 0.000 0.817 338 A CB 0.948 19.810 19.000 -0.230 0.000 1.069 338 A HN 2.033 nan 8.150 nan 0.000 0.492 339 S N -0.931 114.595 115.700 -0.290 0.000 2.564 339 S HA 0.742 5.212 4.470 0.000 0.000 0.274 339 S C -1.414 172.910 174.600 -0.460 0.000 1.124 339 S CA -0.607 57.446 58.200 -0.244 0.000 0.869 339 S CB 0.872 64.077 63.200 0.008 0.000 1.105 339 S HN 0.515 nan 8.310 nan 0.000 0.472 340 Y N 1.109 121.352 120.300 -0.096 0.000 2.446 340 Y HA 0.803 5.353 4.550 -0.000 0.000 0.338 340 Y C -0.222 175.540 175.900 -0.229 0.000 1.055 340 Y CA -1.086 56.806 58.100 -0.347 0.000 1.101 340 Y CB 1.546 39.854 38.460 -0.253 0.000 1.221 340 Y HN 0.861 nan 8.280 nan 0.000 0.460 341 F N -1.856 118.062 119.950 -0.053 0.000 2.713 341 F HA 0.694 5.221 4.527 0.000 0.000 0.311 341 F C -0.365 175.303 175.800 -0.221 0.000 1.141 341 F CA -1.675 56.227 58.000 -0.164 0.000 0.939 341 F CB 0.485 39.379 39.000 -0.177 0.000 1.325 341 F HN 0.357 nan 8.300 nan 0.000 0.453 342 S N -0.077 115.596 115.700 -0.046 0.000 2.617 342 S HA 0.272 4.742 4.470 0.000 0.000 0.259 342 S C 0.640 175.141 174.600 -0.165 0.000 1.301 342 S CA 0.061 58.141 58.200 -0.200 0.000 0.984 342 S CB 1.143 64.199 63.200 -0.240 0.000 0.954 342 S HN 0.690 nan 8.310 nan 0.000 0.572 343 S N 1.213 116.716 115.700 -0.329 0.000 2.406 343 S HA -0.092 4.378 4.470 0.000 0.000 0.228 343 S C 1.709 176.202 174.600 -0.178 0.000 1.020 343 S CA 1.017 58.996 58.200 -0.369 0.000 0.965 343 S CB -0.607 61.996 63.200 -0.996 0.000 0.798 343 S HN 0.915 nan 8.310 nan 0.000 0.488 344 D N 1.459 121.728 120.400 -0.220 0.000 2.144 344 D HA -0.155 4.485 4.640 0.000 0.000 0.200 344 D C 1.732 177.987 176.300 -0.075 0.000 0.978 344 D CA 1.028 54.958 54.000 -0.117 0.000 0.833 344 D CB -0.359 40.351 40.800 -0.150 0.000 0.961 344 D HN 0.320 nan 8.370 nan 0.000 0.470 345 E N 0.951 121.093 120.200 -0.096 0.000 2.107 345 E HA -0.109 4.241 4.350 0.000 0.000 0.191 345 E C 2.045 178.551 176.600 -0.156 0.000 0.982 345 E CA 1.114 57.435 56.400 -0.131 0.000 0.809 345 E CB -0.380 29.243 29.700 -0.128 0.000 0.756 345 E HN 0.147 nan 8.360 nan 0.000 0.459 346 S N -1.233 114.456 115.700 -0.019 0.000 2.382 346 S HA -0.109 4.361 4.470 0.000 0.000 0.228 346 S C 1.455 175.882 174.600 -0.288 0.000 1.027 346 S CA 1.136 59.295 58.200 -0.068 0.000 0.991 346 S CB -0.359 62.771 63.200 -0.117 0.000 0.823 346 S HN 0.351 nan 8.310 nan 0.000 0.469 347 F N 1.109 121.025 119.950 -0.055 0.000 2.754 347 F HA 0.457 4.984 4.527 -0.000 0.000 0.297 347 F C 2.254 178.028 175.800 -0.043 0.000 1.122 347 F CA 0.202 58.181 58.000 -0.034 0.000 1.400 347 F CB -0.467 38.521 39.000 -0.020 0.000 1.117 347 F HN 0.247 nan 8.300 nan 0.000 0.587 348 A N 0.089 122.939 122.820 0.050 0.000 1.902 348 A HA -0.223 4.097 4.320 0.000 0.000 0.217 348 A C 2.272 179.855 177.584 -0.003 0.000 1.181 348 A CA 1.667 53.699 52.037 -0.008 0.000 0.623 348 A CB -0.693 18.253 19.000 -0.090 0.000 0.818 348 A HN 0.371 nan 8.150 nan 0.000 0.443 349 M N -0.564 118.969 119.600 -0.112 0.000 2.065 349 M HA -0.153 4.327 4.480 0.000 0.000 0.259 349 M C 2.023 178.343 176.300 0.033 0.000 1.069 349 M CA 1.977 57.199 55.300 -0.131 0.000 1.110 349 M CB -0.310 32.091 32.600 -0.333 0.000 1.328 349 M HN 0.456 nan 8.290 nan 0.000 0.405 350 I N -0.839 119.725 120.570 -0.010 0.000 2.163 350 I HA -0.299 3.871 4.170 0.000 0.000 0.240 350 I C 2.623 178.804 176.117 0.107 0.000 1.081 350 I CA 1.274 62.599 61.300 0.042 0.000 1.353 350 I CB -0.527 37.490 38.000 0.029 0.000 1.054 350 I HN 0.324 nan 8.210 nan 0.000 0.407 351 R N 0.981 121.573 120.500 0.152 0.000 2.152 351 R HA -0.119 4.221 4.340 0.000 0.000 0.232 351 R C 2.060 178.415 176.300 0.092 0.000 1.117 351 R CA 1.348 57.533 56.100 0.142 0.000 0.981 351 R CB -0.312 30.085 30.300 0.163 0.000 0.870 351 R HN 0.437 nan 8.270 nan 0.000 0.451 352 G N -1.226 107.625 108.800 0.086 0.000 2.813 352 G HA2 0.067 4.027 3.960 0.000 0.000 0.209 352 G HA3 0.067 4.027 3.960 0.000 0.000 0.209 352 G C 0.810 175.575 174.900 -0.225 0.000 1.150 352 G CA 0.449 45.549 45.100 -0.000 0.000 0.785 352 G HN 0.514 nan 8.290 nan 0.000 0.535 353 G N -0.370 108.355 108.800 -0.125 0.000 2.132 353 G HA2 -0.261 3.699 3.960 0.000 0.000 0.234 353 G HA3 -0.261 3.699 3.960 0.000 0.000 0.234 353 G C 0.851 175.627 174.900 -0.206 0.000 0.989 353 G CA 0.483 45.494 45.100 -0.149 0.000 0.676 353 G HN 0.571 nan 8.290 nan 0.000 0.522 354 H N -0.819 118.211 119.070 -0.067 0.000 2.502 354 H HA 0.155 4.711 4.556 -0.000 0.000 0.283 354 H C 1.400 176.662 175.328 -0.109 0.000 1.015 354 H CA 1.169 57.144 56.048 -0.121 0.000 1.298 354 H CB 0.379 30.019 29.762 -0.204 0.000 1.411 354 H HN 0.344 nan 8.280 nan 0.000 0.556 355 V N 2.261 122.202 119.914 0.045 0.000 2.498 355 V HA 0.004 4.124 4.120 0.000 0.000 0.279 355 V C 0.744 176.894 176.094 0.094 0.000 1.048 355 V CA -0.101 62.244 62.300 0.075 0.000 0.967 355 V CB 1.432 33.291 31.823 0.060 0.000 0.988 355 V HN 0.345 nan 8.190 nan 0.000 0.473 356 N N 2.870 121.658 118.700 0.146 0.000 2.250 356 N HA 0.123 4.863 4.740 0.000 0.000 0.181 356 N C -0.125 175.447 175.510 0.103 0.000 1.017 356 N CA 0.414 53.537 53.050 0.122 0.000 0.866 356 N CB 0.231 38.806 38.487 0.145 0.000 0.985 356 N HN 0.475 nan 8.380 nan 0.000 0.429 357 L N -0.357 120.936 121.223 0.117 0.000 2.482 357 L HA 0.409 4.749 4.340 0.000 0.000 0.263 357 L C -1.270 175.669 176.870 0.115 0.000 0.957 357 L CA -0.398 54.510 54.840 0.114 0.000 0.836 357 L CB 2.266 44.409 42.059 0.140 0.000 1.324 357 L HN -0.282 nan 8.230 nan 0.000 0.406 358 T N 4.745 119.357 114.554 0.096 0.000 2.807 358 T HA 0.616 4.966 4.350 0.000 0.000 0.279 358 T C -0.745 174.007 174.700 0.085 0.000 0.993 358 T CA -0.377 61.779 62.100 0.092 0.000 0.970 358 T CB 0.712 69.628 68.868 0.081 0.000 0.950 358 T HN 0.654 nan 8.240 nan 0.000 0.441 359 M N 5.924 125.580 119.600 0.093 0.000 2.066 359 M HA 0.557 5.037 4.480 0.000 0.000 0.340 359 M C -1.592 174.744 176.300 0.061 0.000 1.053 359 M CA -0.386 54.956 55.300 0.070 0.000 0.983 359 M CB 0.387 33.040 32.600 0.088 0.000 1.520 359 M HN 0.477 nan 8.290 nan 0.000 0.428 360 L N 3.925 125.176 121.223 0.048 0.000 2.362 360 L HA 0.731 5.071 4.340 0.000 0.000 0.275 360 L C 0.626 177.520 176.870 0.039 0.000 0.998 360 L CA -1.117 53.753 54.840 0.050 0.000 0.820 360 L CB 1.909 44.002 42.059 0.058 0.000 1.270 360 L HN 0.769 nan 8.230 nan 0.000 0.415 361 G N 1.630 110.456 108.800 0.043 0.000 2.569 361 G HA2 0.579 4.539 3.960 0.000 0.000 0.249 361 G HA3 0.579 4.539 3.960 0.000 0.000 0.249 361 G C -0.582 174.346 174.900 0.047 0.000 1.216 361 G CA 0.155 45.278 45.100 0.039 0.000 0.845 361 G HN 0.785 nan 8.290 nan 0.000 0.568 362 A N 0.915 123.756 122.820 0.036 0.000 2.587 362 A HA 0.679 4.999 4.320 0.000 0.000 0.293 362 A C 0.424 178.024 177.584 0.027 0.000 1.087 362 A CA -0.649 51.410 52.037 0.036 0.000 0.692 362 A CB 1.381 20.389 19.000 0.013 0.000 1.291 362 A HN 0.589 nan 8.150 nan 0.000 0.407 363 M N -0.503 119.114 119.600 0.028 0.000 2.730 363 M HA 0.215 4.695 4.480 0.000 0.000 0.258 363 M C 0.376 176.670 176.300 -0.009 0.000 1.279 363 M CA 0.962 56.269 55.300 0.012 0.000 1.183 363 M CB 0.479 33.087 32.600 0.014 0.000 1.291 363 M HN 0.727 nan 8.290 nan 0.000 0.518 364 Q N 0.016 119.810 119.800 -0.009 0.000 2.456 364 Q HA 0.661 5.001 4.340 0.000 0.000 0.284 364 Q C -1.553 174.427 176.000 -0.034 0.000 1.061 364 Q CA -0.692 55.094 55.803 -0.029 0.000 0.799 364 Q CB 3.924 32.649 28.738 -0.022 0.000 1.445 364 Q HN -0.038 nan 8.270 nan 0.000 0.411 365 V N 0.562 120.434 119.914 -0.070 0.000 2.888 365 V HA 0.480 4.600 4.120 0.000 0.000 0.309 365 V C -0.447 175.591 176.094 -0.094 0.000 1.114 365 V CA -0.719 61.536 62.300 -0.075 0.000 0.940 365 V CB 1.961 33.718 31.823 -0.109 0.000 1.021 365 V HN 0.833 nan 8.190 nan 0.000 0.426 366 S N 2.462 118.124 115.700 -0.063 0.000 2.681 366 S HA 0.341 4.811 4.470 0.000 0.000 0.270 366 S C 1.127 175.649 174.600 -0.130 0.000 1.209 366 S CA -0.055 58.103 58.200 -0.071 0.000 0.988 366 S CB 1.354 64.550 63.200 -0.007 0.000 1.006 366 S HN 0.805 nan 8.310 nan 0.000 0.558 367 K N 0.336 120.612 120.400 -0.206 0.000 2.063 367 K HA -0.109 4.211 4.320 0.000 0.000 0.208 367 K C 0.551 176.934 176.600 -0.361 0.000 1.048 367 K CA 1.688 57.757 56.287 -0.364 0.000 0.928 367 K CB -0.302 31.838 32.500 -0.599 0.000 0.713 367 K HN 0.781 nan 8.250 nan 0.000 0.442 368 Y N -0.636 119.664 120.300 -0.000 0.000 2.493 368 Y HA 0.266 4.816 4.550 0.000 0.000 0.275 368 Y C 1.049 176.955 175.900 0.010 0.000 1.183 368 Y CA 0.135 58.242 58.100 0.011 0.000 1.258 368 Y CB 0.909 39.377 38.460 0.014 0.000 1.108 368 Y HN 0.331 nan 8.280 nan 0.000 0.521 369 G N -0.357 108.497 108.800 0.089 0.000 2.144 369 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 369 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 369 G C -0.470 174.465 174.900 0.059 0.000 0.988 369 G CA -0.288 44.848 45.100 0.060 0.000 0.659 369 G HN 0.235 nan 8.290 nan 0.000 0.522 370 D N 0.083 120.522 120.400 0.065 0.000 2.455 370 D HA 0.429 5.069 4.640 0.000 0.000 0.241 370 D C 0.507 176.833 176.300 0.044 0.000 1.138 370 D CA 0.077 54.112 54.000 0.059 0.000 0.877 370 D CB 1.769 42.606 40.800 0.061 0.000 1.187 370 D HN 0.310 nan 8.370 nan 0.000 0.451 371 L N 1.148 122.407 121.223 0.060 0.000 2.331 371 L HA 0.675 5.016 4.340 0.000 0.000 0.275 371 L C -1.072 175.859 176.870 0.101 0.000 1.022 371 L CA -0.753 54.127 54.840 0.067 0.000 0.812 371 L CB 1.654 43.757 42.059 0.073 0.000 1.257 371 L HN 0.432 nan 8.230 nan 0.000 0.435 372 A N 3.429 126.308 122.820 0.097 0.000 2.442 372 A HA 0.634 4.954 4.320 0.000 0.000 0.284 372 A C -0.713 176.944 177.584 0.122 0.000 1.058 372 A CA -0.285 51.830 52.037 0.130 0.000 0.738 372 A CB 0.619 19.653 19.000 0.056 0.000 1.242 372 A HN 0.819 nan 8.150 nan 0.000 0.421 373 N N 1.263 120.093 118.700 0.217 0.000 2.162 373 N HA -0.020 4.720 4.740 0.000 0.000 0.232 373 N C 0.273 175.949 175.510 0.276 0.000 1.361 373 N CA 0.234 53.395 53.050 0.184 0.000 0.786 373 N CB -0.137 38.443 38.487 0.155 0.000 1.290 373 N HN 0.845 nan 8.380 nan 0.000 0.505 374 W N 0.083 121.428 121.300 0.075 0.000 2.904 374 W HA 0.564 5.224 4.660 0.000 0.000 0.265 374 W C -0.461 176.116 176.519 0.096 0.000 1.138 374 W CA -0.250 57.154 57.345 0.099 0.000 1.455 374 W CB 0.415 29.932 29.460 0.095 0.000 0.924 374 W HN -0.048 nan 8.180 nan 0.000 0.619 375 M N 1.421 120.762 119.600 -0.432 0.000 2.322 375 M HA 0.433 4.913 4.480 0.000 0.000 0.285 375 M C -2.159 173.955 176.300 -0.309 0.000 1.119 375 M CA -0.473 54.584 55.300 -0.405 0.000 0.953 375 M CB 2.510 34.676 32.600 -0.725 0.000 1.701 375 M HN -0.113 nan 8.290 nan 0.000 0.479 376 I N 6.184 126.659 120.570 -0.158 0.000 2.306 376 I HA 0.362 4.532 4.170 0.000 0.000 0.288 376 I C -2.151 173.902 176.117 -0.105 0.000 1.036 376 I CA -1.901 59.327 61.300 -0.120 0.000 1.221 376 I CB 1.077 39.034 38.000 -0.071 0.000 1.385 376 I HN 0.410 nan 8.210 nan 0.000 0.472 377 P HA -0.006 nan 4.420 nan 0.000 0.260 377 P C 0.980 178.234 177.300 -0.076 0.000 1.185 377 P CA 0.824 63.880 63.100 -0.072 0.000 0.763 377 P CB 0.486 32.150 31.700 -0.061 0.000 0.776 378 G N 2.944 111.683 108.800 -0.102 0.000 2.184 378 G HA2 -0.321 3.639 3.960 0.000 0.000 0.264 378 G HA3 -0.321 3.639 3.960 0.000 0.000 0.264 378 G C 0.840 175.646 174.900 -0.157 0.000 0.975 378 G CA 0.697 45.674 45.100 -0.204 0.000 0.642 378 G HN 0.536 nan 8.290 nan 0.000 0.536 379 K N -1.886 118.455 120.400 -0.098 0.000 2.524 379 K HA 0.493 4.813 4.320 0.000 0.000 0.210 379 K C -0.154 176.422 176.600 -0.040 0.000 1.340 379 K CA 0.080 56.325 56.287 -0.070 0.000 0.880 379 K CB 0.543 33.008 32.500 -0.059 0.000 1.616 379 K HN 0.207 nan 8.250 nan 0.000 0.457 380 L N 1.879 123.086 121.223 -0.027 0.000 2.404 380 L HA 0.364 4.704 4.340 0.000 0.000 0.272 380 L C -1.573 175.309 176.870 0.020 0.000 0.980 380 L CA -0.604 54.236 54.840 -0.000 0.000 0.836 380 L CB 2.033 44.090 42.059 -0.003 0.000 1.238 380 L HN -0.174 nan 8.230 nan 0.000 0.408 381 V N 6.601 126.557 119.914 0.070 0.000 2.293 381 V HA 0.411 4.531 4.120 0.000 0.000 0.275 381 V C 0.797 176.925 176.094 0.057 0.000 1.021 381 V CA -0.551 61.826 62.300 0.128 0.000 0.815 381 V CB 0.827 32.839 31.823 0.315 0.000 1.025 381 V HN 0.719 nan 8.190 nan 0.000 0.448 382 K N 2.870 123.314 120.400 0.073 0.000 2.141 382 K HA 0.366 4.686 4.320 0.000 0.000 0.202 382 K C 1.013 177.657 176.600 0.073 0.000 1.045 382 K CA 0.973 57.281 56.287 0.035 0.000 0.971 382 K CB 0.287 32.930 32.500 0.239 0.000 0.795 382 K HN 0.961 nan 8.250 nan 0.000 0.459 383 G N 1.854 110.857 108.800 0.339 0.000 2.692 383 G HA2 -0.181 3.779 3.960 0.000 0.000 0.686 383 G HA3 -0.181 3.779 3.960 0.000 0.000 0.686 383 G C 0.450 175.633 174.900 0.472 0.000 1.243 383 G CA 0.044 45.401 45.100 0.429 0.000 0.782 383 G HN 0.088 nan 8.290 nan 0.000 0.625 384 M N 1.062 120.800 119.600 0.230 0.000 2.419 384 M HA 0.287 4.767 4.480 0.000 0.000 0.264 384 M C 1.738 178.086 176.300 0.080 0.000 1.082 384 M CA 2.408 57.744 55.300 0.060 0.000 1.119 384 M CB -1.813 30.557 32.600 -0.384 0.000 1.398 384 M HN 2.787 nan 8.290 nan 0.000 0.453 385 G N 1.230 110.096 108.800 0.110 0.000 2.596 385 G HA2 -0.325 3.635 3.960 0.000 0.000 0.295 385 G HA3 -0.325 3.635 3.960 0.000 0.000 0.295 385 G C 0.702 175.651 174.900 0.081 0.000 1.240 385 G CA 0.625 45.784 45.100 0.098 0.000 0.985 385 G HN 0.831 nan 8.290 nan 0.000 0.555 386 G N 0.162 109.079 108.800 0.195 0.000 2.985 386 G HA2 0.491 4.451 3.960 0.000 0.000 0.209 386 G HA3 0.491 4.451 3.960 0.000 0.000 0.209 386 G C 1.726 176.753 174.900 0.211 0.000 1.165 386 G CA 1.780 47.063 45.100 0.305 0.000 0.776 386 G HN 1.678 nan 8.290 nan 0.000 0.541 387 A N 0.764 123.652 122.820 0.113 0.000 1.972 387 A HA 0.027 4.347 4.320 0.000 0.000 0.219 387 A C 2.318 179.939 177.584 0.061 0.000 1.169 387 A CA 1.248 53.340 52.037 0.091 0.000 0.635 387 A CB -0.269 18.781 19.000 0.084 0.000 0.810 387 A HN 0.403 nan 8.150 nan 0.000 0.446 388 M N -0.713 118.888 119.600 0.002 0.000 2.254 388 M HA -0.103 4.377 4.480 0.000 0.000 0.265 388 M C 1.215 177.535 176.300 0.032 0.000 1.066 388 M CA 1.231 56.518 55.300 -0.021 0.000 1.123 388 M CB -0.452 32.081 32.600 -0.112 0.000 1.388 388 M HN 0.390 nan 8.290 nan 0.000 0.425 389 D N 0.593 121.031 120.400 0.063 0.000 2.149 389 D HA -0.061 4.579 4.640 0.000 0.000 0.201 389 D C 2.081 178.484 176.300 0.171 0.000 0.972 389 D CA 1.183 55.263 54.000 0.134 0.000 0.835 389 D CB -0.030 40.892 40.800 0.203 0.000 0.966 389 D HN 0.349 nan 8.370 nan 0.000 0.476 390 L N 1.041 122.370 121.223 0.176 0.000 2.141 390 L HA -0.114 4.226 4.340 0.000 0.000 0.209 390 L C 2.462 179.390 176.870 0.096 0.000 1.094 390 L CA 0.667 55.589 54.840 0.136 0.000 0.763 390 L CB -0.227 41.909 42.059 0.127 0.000 0.908 390 L HN -0.001 nan 8.230 nan 0.000 0.437 391 V N -4.395 115.570 119.914 0.085 0.000 3.623 391 V HA 0.011 4.131 4.120 0.000 0.000 0.271 391 V C 2.282 178.413 176.094 0.062 0.000 1.248 391 V CA 0.928 63.269 62.300 0.069 0.000 1.156 391 V CB -0.221 31.641 31.823 0.065 0.000 0.870 391 V HN 0.451 nan 8.190 nan 0.000 0.453 392 S N 0.112 115.853 115.700 0.068 0.000 2.436 392 S HA 0.020 4.490 4.470 0.000 0.000 0.228 392 S C 1.366 175.991 174.600 0.043 0.000 1.014 392 S CA 0.906 59.139 58.200 0.056 0.000 0.950 392 S CB -0.443 62.800 63.200 0.072 0.000 0.784 392 S HN 0.627 nan 8.310 nan 0.000 0.504 393 S N 0.869 116.601 115.700 0.053 0.000 2.474 393 S HA 0.633 5.103 4.470 0.000 0.000 0.276 393 S C 1.159 175.775 174.600 0.027 0.000 1.227 393 S CA -0.141 58.083 58.200 0.039 0.000 1.050 393 S CB 0.821 64.045 63.200 0.039 0.000 0.939 393 S HN 0.564 nan 8.310 nan 0.000 0.490 394 A N 5.681 128.511 122.820 0.016 0.000 2.019 394 A HA -0.041 4.279 4.320 0.000 0.000 0.219 394 A C 1.930 179.522 177.584 0.014 0.000 1.164 394 A CA 1.222 53.267 52.037 0.014 0.000 0.644 394 A CB -0.300 18.705 19.000 0.008 0.000 0.805 394 A HN 0.892 nan 8.150 nan 0.000 0.449 395 K N -0.310 120.093 120.400 0.005 0.000 2.486 395 K HA 0.023 4.343 4.320 0.000 0.000 0.194 395 K C -0.373 176.236 176.600 0.016 0.000 1.033 395 K CA 0.596 56.883 56.287 -0.000 0.000 1.004 395 K CB 0.046 32.528 32.500 -0.031 0.000 0.798 395 K HN 0.343 nan 8.250 nan 0.000 0.495 396 T N 1.576 116.146 114.554 0.027 0.000 2.771 396 T HA 0.152 4.502 4.350 0.000 0.000 0.281 396 T C -0.455 174.274 174.700 0.048 0.000 0.982 396 T CA -0.676 61.450 62.100 0.043 0.000 0.978 396 T CB 1.851 70.748 68.868 0.049 0.000 0.930 396 T HN 0.009 nan 8.240 nan 0.000 0.447 397 K N 2.788 123.221 120.400 0.054 0.000 2.270 397 K HA 0.438 4.758 4.320 0.000 0.000 0.276 397 K C -0.928 175.705 176.600 0.056 0.000 1.023 397 K CA -0.450 55.868 56.287 0.052 0.000 0.955 397 K CB 0.553 33.084 32.500 0.052 0.000 0.975 397 K HN 0.330 nan 8.250 nan 0.000 0.471 398 V N 4.733 124.677 119.914 0.050 0.000 2.384 398 V HA 0.293 4.413 4.120 0.000 0.000 0.287 398 V C -0.613 175.505 176.094 0.040 0.000 1.020 398 V CA -0.915 61.415 62.300 0.050 0.000 0.850 398 V CB 1.583 33.437 31.823 0.051 0.000 0.987 398 V HN 0.501 nan 8.190 nan 0.000 0.436 399 V N 5.678 125.613 119.914 0.035 0.000 2.409 399 V HA 0.433 4.553 4.120 0.000 0.000 0.291 399 V C -0.164 175.938 176.094 0.013 0.000 1.020 399 V CA -0.637 61.673 62.300 0.017 0.000 0.848 399 V CB 2.084 33.906 31.823 -0.002 0.000 0.990 399 V HN 0.606 nan 8.190 nan 0.000 0.430 400 V N 4.468 124.386 119.914 0.007 0.000 2.383 400 V HA 0.406 4.526 4.120 0.000 0.000 0.275 400 V C 0.555 176.641 176.094 -0.012 0.000 1.036 400 V CA -0.287 62.014 62.300 0.002 0.000 0.889 400 V CB 1.761 33.581 31.823 -0.006 0.000 0.985 400 V HN 1.013 nan 8.190 nan 0.000 0.459 401 T N 4.011 118.557 114.554 -0.015 0.000 2.947 401 T HA 0.743 5.093 4.350 0.000 0.000 0.337 401 T C -0.579 174.107 174.700 -0.022 0.000 1.139 401 T CA -0.657 61.425 62.100 -0.030 0.000 0.992 401 T CB 0.396 69.237 68.868 -0.046 0.000 1.043 401 T HN 0.655 nan 8.240 nan 0.000 0.498 402 M N 0.246 119.831 119.600 -0.026 0.000 2.593 402 M HA 0.690 5.170 4.480 0.000 0.000 0.290 402 M C -0.805 175.485 176.300 -0.017 0.000 1.244 402 M CA -1.066 54.222 55.300 -0.021 0.000 0.857 402 M CB 1.773 34.357 32.600 -0.027 0.000 1.738 402 M HN 0.150 nan 8.290 nan 0.000 0.461 403 E N 0.597 120.794 120.200 -0.005 0.000 2.415 403 E HA -0.021 4.329 4.350 0.000 0.000 0.262 403 E C 0.030 176.653 176.600 0.038 0.000 1.038 403 E CA 0.289 56.700 56.400 0.018 0.000 0.921 403 E CB 0.759 30.471 29.700 0.020 0.000 0.950 403 E HN 0.773 nan 8.360 nan 0.000 0.438 404 H N 1.100 120.167 119.070 -0.006 0.000 2.363 404 H HA 0.018 4.574 4.556 0.000 0.000 0.301 404 H C -0.096 175.241 175.328 0.015 0.000 1.074 404 H CA 1.096 57.147 56.048 0.005 0.000 1.354 404 H CB 0.545 30.322 29.762 0.026 0.000 1.397 404 H HN 0.181 nan 8.280 nan 0.000 0.516 405 S N -0.546 115.269 115.700 0.191 0.000 2.542 405 S HA 0.672 5.142 4.470 0.000 0.000 0.293 405 S C -0.574 174.072 174.600 0.077 0.000 1.089 405 S CA -0.503 57.787 58.200 0.151 0.000 0.961 405 S CB 2.011 65.324 63.200 0.188 0.000 1.062 405 S HN 0.565 nan 8.310 nan 0.000 0.483 406 A N 2.196 125.049 122.820 0.054 0.000 2.250 406 A HA 0.549 4.869 4.320 0.000 0.000 0.283 406 A C -0.006 177.590 177.584 0.019 0.000 1.206 406 A CA -0.469 51.584 52.037 0.026 0.000 0.840 406 A CB -0.031 18.977 19.000 0.012 0.000 1.220 406 A HN 0.769 nan 8.150 nan 0.000 0.505 407 K N -0.611 119.793 120.400 0.008 0.000 2.527 407 K HA 0.302 4.622 4.320 0.000 0.000 0.278 407 K C 1.014 177.611 176.600 -0.005 0.000 0.981 407 K CA 1.330 57.619 56.287 0.002 0.000 1.009 407 K CB -0.066 32.432 32.500 -0.003 0.000 0.895 407 K HN 1.475 nan 8.250 nan 0.000 0.493 408 G N 2.650 111.447 108.800 -0.004 0.000 2.198 408 G HA2 -0.351 3.609 3.960 0.000 0.000 0.260 408 G HA3 -0.351 3.609 3.960 0.000 0.000 0.260 408 G C 0.169 175.060 174.900 -0.015 0.000 1.025 408 G CA 0.398 45.492 45.100 -0.012 0.000 0.769 408 G HN 0.847 nan 8.290 nan 0.000 0.507 409 N N -2.119 116.583 118.700 0.004 0.000 2.721 409 N HA -0.094 4.646 4.740 0.000 0.000 0.249 409 N C 0.604 176.103 175.510 -0.018 0.000 1.072 409 N CA 2.008 55.069 53.050 0.019 0.000 0.710 409 N CB -1.189 37.311 38.487 0.022 0.000 0.993 409 N HN 1.914 nan 8.380 nan 0.000 0.547 410 A N 0.531 123.334 122.820 -0.028 0.000 2.354 410 A HA 0.468 4.788 4.320 0.000 0.000 0.269 410 A C 0.092 177.684 177.584 0.014 0.000 1.109 410 A CA -0.368 51.617 52.037 -0.087 0.000 0.800 410 A CB 0.320 19.285 19.000 -0.059 0.000 1.045 410 A HN 0.437 nan 8.150 nan 0.000 0.489 411 H N 1.035 120.114 119.070 0.015 0.000 2.790 411 H HA 0.179 4.735 4.556 0.000 0.000 0.358 411 H C 0.545 175.856 175.328 -0.028 0.000 1.103 411 H CA 0.267 56.320 56.048 0.007 0.000 1.426 411 H CB 0.937 30.701 29.762 0.003 0.000 1.424 411 H HN 0.758 nan 8.280 nan 0.000 0.599 412 K N 1.536 121.976 120.400 0.066 0.000 2.403 412 K HA 0.253 4.573 4.320 0.000 0.000 0.199 412 K C 0.349 176.886 176.600 -0.105 0.000 1.199 412 K CA 0.137 56.405 56.287 -0.031 0.000 0.924 412 K CB 0.828 33.292 32.500 -0.060 0.000 1.137 412 K HN 0.322 nan 8.250 nan 0.000 0.510 413 I N 3.539 123.986 120.570 -0.205 0.000 2.395 413 I HA 0.201 4.371 4.170 0.000 0.000 0.289 413 I C 0.035 176.036 176.117 -0.193 0.000 1.023 413 I CA -0.061 61.070 61.300 -0.282 0.000 1.350 413 I CB 0.794 38.482 38.000 -0.521 0.000 1.409 413 I HN 0.141 nan 8.210 nan 0.000 0.507 414 M N 2.683 122.188 119.600 -0.159 0.000 3.012 414 M HA 0.404 4.884 4.480 0.000 0.000 0.272 414 M C -0.272 175.965 176.300 -0.104 0.000 1.187 414 M CA -0.820 54.420 55.300 -0.099 0.000 0.813 414 M CB 1.517 34.099 32.600 -0.031 0.000 1.626 414 M HN 0.230 nan 8.290 nan 0.000 0.507 415 E N 1.153 121.309 120.200 -0.075 0.000 2.051 415 E HA 0.017 4.367 4.350 0.000 0.000 0.192 415 E C 0.008 176.573 176.600 -0.060 0.000 0.991 415 E CA 1.557 57.906 56.400 -0.085 0.000 0.799 415 E CB 0.240 29.915 29.700 -0.041 0.000 0.748 415 E HN 0.476 nan 8.360 nan 0.000 0.449 416 K N -0.626 119.760 120.400 -0.024 0.000 2.508 416 K HA 0.269 4.589 4.320 0.000 0.000 0.260 416 K C -1.413 175.185 176.600 -0.003 0.000 0.949 416 K CA -0.592 55.695 56.287 0.000 0.000 0.834 416 K CB 2.127 34.640 32.500 0.021 0.000 1.365 416 K HN -0.048 nan 8.250 nan 0.000 0.437 417 C N 2.281 121.583 119.300 0.003 0.000 2.593 417 C HA 0.152 4.612 4.460 0.000 0.000 0.409 417 C C 1.922 176.911 174.990 -0.001 0.000 1.304 417 C CA -0.306 58.712 59.018 -0.000 0.000 2.007 417 C CB 0.364 28.109 27.740 0.009 0.000 2.614 417 C HN 0.937 nan 8.230 nan 0.000 0.585 418 T N 0.688 115.236 114.554 -0.010 0.000 3.044 418 T HA 0.140 4.490 4.350 0.000 0.000 0.255 418 T C 0.569 175.251 174.700 -0.031 0.000 1.073 418 T CA 0.391 62.482 62.100 -0.016 0.000 1.125 418 T CB -0.085 68.773 68.868 -0.017 0.000 0.908 418 T HN 0.535 nan 8.240 nan 0.000 0.480 419 L N 1.740 122.938 121.223 -0.042 0.000 2.456 419 L HA 0.417 4.757 4.340 0.000 0.000 0.257 419 L C -2.259 174.567 176.870 -0.074 0.000 1.162 419 L CA -2.579 52.212 54.840 -0.082 0.000 0.808 419 L CB -0.025 41.976 42.059 -0.098 0.000 1.136 419 L HN -0.038 nan 8.230 nan 0.000 0.466 420 P HA 0.096 nan 4.420 nan 0.000 0.268 420 P C -0.706 176.671 177.300 0.128 0.000 1.204 420 P CA -0.030 63.037 63.100 -0.055 0.000 0.768 420 P CB 0.366 31.899 31.700 -0.278 0.000 0.842 421 L N 2.388 123.753 121.223 0.235 0.000 2.397 421 L HA 0.105 4.445 4.340 0.000 0.000 0.271 421 L C 1.591 178.702 176.870 0.402 0.000 1.148 421 L CA 0.126 55.113 54.840 0.246 0.000 0.825 421 L CB 0.245 42.384 42.059 0.132 0.000 1.117 421 L HN 0.441 nan 8.230 nan 0.000 0.456 422 T N 0.707 115.443 114.554 0.304 0.000 2.894 422 T HA 0.139 4.489 4.350 0.000 0.000 0.258 422 T C 0.593 175.339 174.700 0.075 0.000 1.043 422 T CA 0.766 62.970 62.100 0.174 0.000 1.141 422 T CB 0.257 69.233 68.868 0.179 0.000 0.873 422 T HN 0.811 nan 8.240 nan 0.000 0.449 423 G N 0.334 109.185 108.800 0.086 0.000 2.703 423 G HA2 0.554 4.514 3.960 0.000 0.000 0.294 423 G HA3 0.554 4.514 3.960 0.000 0.000 0.294 423 G C -1.893 173.043 174.900 0.061 0.000 1.451 423 G CA -0.889 44.248 45.100 0.061 0.000 0.869 423 G HN 0.023 nan 8.290 nan 0.000 0.516 424 K N 1.093 121.524 120.400 0.051 0.000 2.211 424 K HA 0.362 4.682 4.320 0.000 0.000 0.275 424 K C -0.050 176.588 176.600 0.063 0.000 1.024 424 K CA -0.366 55.951 56.287 0.050 0.000 0.887 424 K CB 1.193 33.709 32.500 0.026 0.000 1.084 424 K HN 0.650 nan 8.250 nan 0.000 0.463 425 Q N 0.622 120.466 119.800 0.072 0.000 2.447 425 Q HA -0.246 4.094 4.340 0.000 0.000 0.348 425 Q C 0.410 176.449 176.000 0.066 0.000 1.421 425 Q CA 0.477 56.327 55.803 0.079 0.000 0.978 425 Q CB -1.845 26.935 28.738 0.070 0.000 1.191 425 Q HN 0.929 nan 8.270 nan 0.000 0.371 426 C N -4.703 114.635 119.300 0.063 0.000 3.449 426 C HA 0.416 4.876 4.460 0.000 0.000 0.404 426 C C 0.927 175.949 174.990 0.053 0.000 1.383 426 C CA -0.263 58.789 59.018 0.057 0.000 1.936 426 C CB -0.043 27.732 27.740 0.058 0.000 2.738 426 C HN 0.317 nan 8.230 nan 0.000 0.663 427 V N 3.704 123.648 119.914 0.051 0.000 2.530 427 V HA 0.215 4.335 4.120 0.000 0.000 0.282 427 V C 0.453 176.574 176.094 0.046 0.000 1.048 427 V CA 0.720 63.046 62.300 0.042 0.000 0.997 427 V CB 0.837 32.676 31.823 0.028 0.000 0.987 427 V HN 0.507 nan 8.190 nan 0.000 0.477 428 N N 2.756 121.482 118.700 0.044 0.000 2.454 428 N HA 0.200 4.940 4.740 0.000 0.000 0.177 428 N C 0.600 176.138 175.510 0.047 0.000 1.049 428 N CA -0.043 53.035 53.050 0.047 0.000 0.887 428 N CB 0.519 39.032 38.487 0.044 0.000 1.095 428 N HN 0.596 nan 8.380 nan 0.000 0.446 429 R N 0.501 121.025 120.500 0.041 0.000 2.740 429 R HA 0.531 4.871 4.340 0.000 0.000 0.273 429 R C -1.955 174.370 176.300 0.041 0.000 0.998 429 R CA -0.514 55.614 56.100 0.047 0.000 0.900 429 R CB 1.455 31.773 30.300 0.030 0.000 1.223 429 R HN -0.082 nan 8.270 nan 0.000 0.466 430 I N 5.050 125.665 120.570 0.075 0.000 2.439 430 I HA 0.380 4.550 4.170 0.000 0.000 0.285 430 I C -0.541 175.641 176.117 0.108 0.000 1.021 430 I CA -0.602 60.736 61.300 0.063 0.000 1.091 430 I CB 1.913 39.920 38.000 0.012 0.000 1.242 430 I HN 0.421 nan 8.210 nan 0.000 0.439 431 I N 6.010 126.604 120.570 0.041 0.000 2.362 431 I HA 0.390 4.560 4.170 0.000 0.000 0.289 431 I C 0.399 176.526 176.117 0.017 0.000 0.994 431 I CA -0.218 61.096 61.300 0.022 0.000 1.158 431 I CB 1.832 39.809 38.000 -0.038 0.000 1.315 431 I HN 0.617 nan 8.210 nan 0.000 0.451 432 T N 0.880 115.468 114.554 0.057 0.000 2.807 432 T HA 0.270 4.620 4.350 0.000 0.000 0.277 432 T C 0.841 175.530 174.700 -0.018 0.000 1.006 432 T CA -0.642 61.491 62.100 0.054 0.000 1.006 432 T CB 1.722 70.705 68.868 0.191 0.000 1.274 432 T HN 0.611 nan 8.240 nan 0.000 0.569 433 E N 0.356 120.526 120.200 -0.050 0.000 2.427 433 E HA -0.012 4.338 4.350 0.000 0.000 0.196 433 E C 1.147 177.618 176.600 -0.214 0.000 1.028 433 E CA 0.848 57.127 56.400 -0.202 0.000 0.864 433 E CB -0.088 29.494 29.700 -0.197 0.000 0.813 433 E HN 0.732 nan 8.360 nan 0.000 0.514 434 K N -0.020 120.368 120.400 -0.020 0.000 2.287 434 K HA 0.368 4.688 4.320 0.000 0.000 0.199 434 K C 0.688 177.335 176.600 0.079 0.000 1.061 434 K CA 0.755 57.053 56.287 0.019 0.000 0.976 434 K CB 0.837 33.250 32.500 -0.145 0.000 0.898 434 K HN 0.161 nan 8.250 nan 0.000 0.492 435 A N 0.355 123.236 122.820 0.102 0.000 2.564 435 A HA 0.585 4.905 4.320 0.000 0.000 0.291 435 A C -1.662 175.893 177.584 -0.049 0.000 1.102 435 A CA -0.672 51.342 52.037 -0.038 0.000 0.660 435 A CB 1.458 20.313 19.000 -0.241 0.000 1.283 435 A HN -0.121 nan 8.150 nan 0.000 0.430 436 V N 0.265 120.023 119.914 -0.259 0.000 2.588 436 V HA 0.646 4.766 4.120 0.000 0.000 0.304 436 V C -1.376 174.510 176.094 -0.345 0.000 1.042 436 V CA -0.244 61.968 62.300 -0.147 0.000 0.877 436 V CB 1.209 32.981 31.823 -0.085 0.000 0.996 436 V HN 0.671 nan 8.190 nan 0.000 0.425 437 F N 1.475 121.387 119.950 -0.063 0.000 2.507 437 F HA 0.514 5.041 4.527 -0.000 0.000 0.325 437 F C 0.230 176.010 175.800 -0.033 0.000 1.116 437 F CA -0.679 57.282 58.000 -0.065 0.000 0.930 437 F CB 1.709 40.652 39.000 -0.095 0.000 1.146 437 F HN 0.374 nan 8.300 nan 0.000 0.447 438 D N 2.518 123.000 120.400 0.136 0.000 2.277 438 D HA 0.335 4.975 4.640 0.000 0.000 0.249 438 D C -0.693 175.681 176.300 0.122 0.000 1.134 438 D CA 0.131 54.192 54.000 0.101 0.000 0.863 438 D CB 1.823 42.663 40.800 0.066 0.000 1.143 438 D HN 0.099 nan 8.370 nan 0.000 0.458 439 V N 3.445 123.417 119.914 0.096 0.000 2.328 439 V HA 0.190 4.310 4.120 0.000 0.000 0.278 439 V C 0.057 176.205 176.094 0.090 0.000 1.021 439 V CA -0.799 61.553 62.300 0.087 0.000 0.838 439 V CB 1.570 33.429 31.823 0.060 0.000 0.999 439 V HN 0.395 nan 8.190 nan 0.000 0.447 440 D N 3.175 123.640 120.400 0.109 0.000 2.163 440 D HA 0.356 4.996 4.640 0.000 0.000 0.248 440 D C 1.362 177.761 176.300 0.166 0.000 1.035 440 D CA -0.719 53.350 54.000 0.115 0.000 0.872 440 D CB 1.554 42.419 40.800 0.108 0.000 1.183 440 D HN 0.533 nan 8.370 nan 0.000 0.445 441 R N 2.398 122.974 120.500 0.127 0.000 2.115 441 R HA -0.028 4.312 4.340 0.000 0.000 0.230 441 R C 0.971 177.309 176.300 0.063 0.000 1.111 441 R CA 0.993 57.166 56.100 0.122 0.000 0.976 441 R CB 0.076 30.408 30.300 0.054 0.000 0.870 441 R HN 0.249 nan 8.270 nan 0.000 0.445 442 K N 0.550 120.981 120.400 0.052 0.000 2.240 442 K HA 0.140 4.460 4.320 0.000 0.000 0.202 442 K C 1.744 178.418 176.600 0.123 0.000 1.053 442 K CA 0.577 56.848 56.287 -0.026 0.000 0.973 442 K CB 0.411 32.899 32.500 -0.020 0.000 0.924 442 K HN 0.028 nan 8.250 nan 0.000 0.477 443 K N 0.379 120.880 120.400 0.169 0.000 2.418 443 K HA 0.108 4.428 4.320 0.000 0.000 0.195 443 K C 0.668 177.408 176.600 0.233 0.000 1.035 443 K CA 0.429 56.825 56.287 0.182 0.000 1.003 443 K CB 0.610 33.179 32.500 0.115 0.000 0.793 443 K HN 0.321 nan 8.250 nan 0.000 0.494 444 G N 1.564 110.547 108.800 0.305 0.000 2.584 444 G HA2 -0.287 3.673 3.960 0.000 0.000 0.229 444 G HA3 -0.287 3.673 3.960 0.000 0.000 0.229 444 G C -0.454 174.499 174.900 0.089 0.000 1.320 444 G CA -0.753 44.418 45.100 0.117 0.000 0.891 444 G HN 0.097 nan 8.290 nan 0.000 0.573 445 L N 0.425 121.678 121.223 0.051 0.000 2.436 445 L HA 0.586 4.926 4.340 0.000 0.000 0.265 445 L C 0.595 177.592 176.870 0.213 0.000 1.168 445 L CA 0.114 55.036 54.840 0.138 0.000 0.815 445 L CB 1.160 43.302 42.059 0.138 0.000 1.109 445 L HN 0.701 nan 8.230 nan 0.000 0.462 446 T N 2.880 117.577 114.554 0.239 0.000 3.143 446 T HA 0.262 4.612 4.350 0.000 0.000 0.312 446 T C -0.752 174.017 174.700 0.115 0.000 0.986 446 T CA -0.500 61.714 62.100 0.191 0.000 1.024 446 T CB 1.393 70.331 68.868 0.117 0.000 1.030 446 T HN 0.213 nan 8.240 nan 0.000 0.448 447 L N 5.855 127.105 121.223 0.046 0.000 2.385 447 L HA 0.431 4.771 4.340 0.000 0.000 0.281 447 L C 0.996 177.777 176.870 -0.148 0.000 1.106 447 L CA 0.209 54.883 54.840 -0.276 0.000 0.856 447 L CB -0.185 41.673 42.059 -0.334 0.000 1.186 447 L HN 0.781 nan 8.230 nan 0.000 0.453 448 I N 0.155 120.622 120.570 -0.172 0.000 3.616 448 I HA 0.363 4.533 4.170 0.000 0.000 0.296 448 I C 0.347 176.407 176.117 -0.094 0.000 1.226 448 I CA -0.030 61.217 61.300 -0.088 0.000 1.394 448 I CB 0.134 38.105 38.000 -0.048 0.000 1.171 448 I HN 0.463 nan 8.210 nan 0.000 0.442 449 E N 1.266 121.383 120.200 -0.138 0.000 2.393 449 E HA 0.721 5.071 4.350 0.000 0.000 0.265 449 E C -1.666 174.851 176.600 -0.139 0.000 0.941 449 E CA -0.969 55.370 56.400 -0.101 0.000 0.801 449 E CB 3.156 32.821 29.700 -0.059 0.000 1.313 449 E HN 0.047 nan 8.360 nan 0.000 0.435 450 L N 0.962 122.147 121.223 -0.063 0.000 2.676 450 L HA 0.242 4.582 4.340 0.000 0.000 0.262 450 L C -1.539 175.366 176.870 0.058 0.000 0.932 450 L CA -0.255 54.560 54.840 -0.043 0.000 0.932 450 L CB 1.317 43.332 42.059 -0.073 0.000 1.355 450 L HN 0.685 nan 8.230 nan 0.000 0.421 451 W N 5.589 126.835 121.300 -0.090 0.000 2.170 451 W HA 0.193 4.853 4.660 0.000 0.000 0.342 451 W C 0.190 176.678 176.519 -0.052 0.000 1.294 451 W CA -0.029 57.278 57.345 -0.063 0.000 1.246 451 W CB 0.848 30.276 29.460 -0.054 0.000 1.156 451 W HN 0.814 nan 8.180 nan 0.000 0.572 452 E N 3.395 123.039 120.200 -0.927 0.000 2.392 452 E HA 0.354 4.704 4.350 0.000 0.000 0.264 452 E C 0.761 177.037 176.600 -0.540 0.000 1.024 452 E CA 0.539 56.511 56.400 -0.713 0.000 0.903 452 E CB 1.057 30.275 29.700 -0.804 0.000 0.963 452 E HN 0.739 nan 8.360 nan 0.000 0.432 453 G N 2.722 111.363 108.800 -0.265 0.000 3.400 453 G HA2 -0.288 3.672 3.960 0.000 0.000 0.209 453 G HA3 -0.288 3.672 3.960 0.000 0.000 0.209 453 G C -0.016 174.849 174.900 -0.059 0.000 1.411 453 G CA -0.050 44.969 45.100 -0.134 0.000 0.917 453 G HN 0.463 nan 8.290 nan 0.000 0.570 454 L N 3.380 124.591 121.223 -0.021 0.000 2.418 454 L HA 0.519 4.859 4.340 0.000 0.000 0.274 454 L C 1.514 178.383 176.870 -0.003 0.000 1.135 454 L CA 0.778 55.626 54.840 0.012 0.000 0.870 454 L CB 1.014 43.103 42.059 0.050 0.000 1.154 454 L HN 0.698 nan 8.230 nan 0.000 0.462 455 T N -0.670 113.888 114.554 0.008 0.000 2.852 455 T HA 0.293 4.643 4.350 0.000 0.000 0.281 455 T C 1.282 176.017 174.700 0.058 0.000 0.993 455 T CA -0.802 61.308 62.100 0.017 0.000 0.933 455 T CB 0.806 69.682 68.868 0.014 0.000 1.187 455 T HN 0.161 nan 8.240 nan 0.000 0.559 456 V N 1.297 121.262 119.914 0.085 0.000 2.867 456 V HA -0.098 4.022 4.120 0.000 0.000 0.260 456 V C 2.065 178.271 176.094 0.187 0.000 1.099 456 V CA 1.815 64.225 62.300 0.183 0.000 1.122 456 V CB -0.988 30.927 31.823 0.153 0.000 0.708 456 V HN 0.781 nan 8.190 nan 0.000 0.490 457 D N 0.050 120.510 120.400 0.100 0.000 2.162 457 D HA -0.092 4.548 4.640 0.000 0.000 0.203 457 D C 1.826 178.180 176.300 0.091 0.000 0.967 457 D CA 1.092 55.139 54.000 0.078 0.000 0.840 457 D CB -0.210 40.615 40.800 0.042 0.000 0.972 457 D HN 0.424 nan 8.370 nan 0.000 0.482 458 D N 0.373 120.818 120.400 0.074 0.000 2.144 458 D HA -0.084 4.556 4.640 0.000 0.000 0.199 458 D C 2.001 178.335 176.300 0.055 0.000 0.984 458 D CA 0.415 54.446 54.000 0.052 0.000 0.834 458 D CB 0.028 40.843 40.800 0.026 0.000 0.955 458 D HN 0.138 nan 8.370 nan 0.000 0.465 459 I N 0.433 121.060 120.570 0.096 0.000 2.439 459 I HA -0.142 4.028 4.170 0.000 0.000 0.251 459 I C 2.098 178.409 176.117 0.323 0.000 1.139 459 I CA 0.869 62.241 61.300 0.121 0.000 1.438 459 I CB -0.601 37.444 38.000 0.074 0.000 1.085 459 I HN -0.059 nan 8.210 nan 0.000 0.427 460 K N 2.020 122.648 120.400 0.380 0.000 2.063 460 K HA -0.176 4.144 4.320 0.000 0.000 0.208 460 K C 1.793 178.486 176.600 0.155 0.000 1.048 460 K CA 1.435 57.899 56.287 0.295 0.000 0.928 460 K CB -0.077 32.486 32.500 0.105 0.000 0.713 460 K HN 0.426 nan 8.250 nan 0.000 0.442 461 K N -1.519 118.956 120.400 0.124 0.000 2.387 461 K HA 0.198 4.518 4.320 0.000 0.000 0.198 461 K C 0.688 177.388 176.600 0.166 0.000 1.022 461 K CA 0.403 56.764 56.287 0.122 0.000 1.128 461 K CB 0.814 33.378 32.500 0.108 0.000 0.853 461 K HN -0.142 nan 8.250 nan 0.000 0.523 462 S N 0.382 116.147 115.700 0.110 0.000 2.540 462 S HA 0.092 4.562 4.470 0.000 0.000 0.222 462 S C -0.142 174.492 174.600 0.055 0.000 1.008 462 S CA -0.235 58.053 58.200 0.147 0.000 0.939 462 S CB 0.845 64.060 63.200 0.026 0.000 0.865 462 S HN 0.263 nan 8.310 nan 0.000 0.499 463 T N 1.124 115.629 114.554 -0.082 0.000 2.786 463 T HA 0.419 4.769 4.350 0.000 0.000 0.283 463 T C 1.067 175.502 174.700 -0.441 0.000 0.992 463 T CA -0.524 61.466 62.100 -0.183 0.000 0.954 463 T CB 1.587 70.500 68.868 0.075 0.000 0.934 463 T HN 0.198 nan 8.240 nan 0.000 0.440 464 G N 1.353 109.818 108.800 -0.559 0.000 2.882 464 G HA2 0.183 4.143 3.960 0.000 0.000 0.206 464 G HA3 0.183 4.143 3.960 0.000 0.000 0.206 464 G C 0.654 175.503 174.900 -0.086 0.000 1.155 464 G CA 0.017 44.955 45.100 -0.270 0.000 0.800 464 G HN 0.918 nan 8.290 nan 0.000 0.524 465 C N -0.292 118.961 119.300 -0.078 0.000 2.994 465 C HA 0.705 5.165 4.460 0.000 0.000 0.304 465 C C -0.302 174.714 174.990 0.044 0.000 1.273 465 C CA -1.515 57.483 59.018 -0.033 0.000 1.537 465 C CB 1.919 29.613 27.740 -0.076 0.000 2.001 465 C HN 0.349 nan 8.230 nan 0.000 0.471 466 D N 0.554 120.954 120.400 0.000 0.000 2.344 466 D HA 0.539 5.179 4.640 0.000 0.000 0.244 466 D C -0.504 175.834 176.300 0.063 0.000 1.134 466 D CA 0.038 54.005 54.000 -0.055 0.000 0.930 466 D CB 0.850 41.586 40.800 -0.106 0.000 1.175 466 D HN 0.801 nan 8.370 nan 0.000 0.437 467 F N -2.369 117.605 119.950 0.041 0.000 2.591 467 F HA 0.680 5.206 4.527 -0.000 0.000 0.309 467 F C -0.785 175.058 175.800 0.071 0.000 1.098 467 F CA -1.566 56.484 58.000 0.083 0.000 0.937 467 F CB 1.122 40.251 39.000 0.215 0.000 1.250 467 F HN 0.472 nan 8.300 nan 0.000 0.447 468 A N 2.086 125.046 122.820 0.233 0.000 2.388 468 A HA 0.637 4.957 4.320 0.000 0.000 0.257 468 A C -0.629 177.098 177.584 0.239 0.000 1.095 468 A CA -0.582 51.543 52.037 0.147 0.000 0.791 468 A CB 0.520 19.585 19.000 0.109 0.000 1.029 468 A HN 0.770 nan 8.150 nan 0.000 0.489 469 V N 2.570 122.576 119.914 0.152 0.000 2.394 469 V HA 0.345 4.465 4.120 0.000 0.000 0.282 469 V C 0.840 176.979 176.094 0.075 0.000 1.031 469 V CA -0.429 61.957 62.300 0.145 0.000 0.881 469 V CB 1.251 33.147 31.823 0.120 0.000 0.982 469 V HN 0.937 nan 8.190 nan 0.000 0.451 470 S N 5.508 121.240 115.700 0.054 0.000 2.549 470 S HA 0.269 4.739 4.470 0.000 0.000 0.279 470 S C -1.171 173.441 174.600 0.020 0.000 1.321 470 S CA -1.002 57.218 58.200 0.033 0.000 1.054 470 S CB 1.185 64.397 63.200 0.019 0.000 0.899 470 S HN 0.640 nan 8.310 nan 0.000 0.497 471 P HA -0.046 nan 4.420 nan 0.000 0.218 471 P C 0.365 177.668 177.300 0.004 0.000 1.148 471 P CA 1.159 64.265 63.100 0.010 0.000 0.822 471 P CB 0.122 31.828 31.700 0.010 0.000 0.784 472 K N -1.013 119.389 120.400 0.004 0.000 2.505 472 K HA 0.078 4.398 4.320 0.000 0.000 0.192 472 K C 0.456 177.051 176.600 -0.009 0.000 1.025 472 K CA -0.264 56.022 56.287 -0.002 0.000 1.086 472 K CB -0.920 31.580 32.500 -0.000 0.000 0.840 472 K HN 0.056 nan 8.250 nan 0.000 0.514 473 L N 1.770 122.987 121.223 -0.010 0.000 2.573 473 L HA 0.004 4.344 4.340 0.000 0.000 0.290 473 L C -0.006 176.849 176.870 -0.025 0.000 1.247 473 L CA 0.834 55.661 54.840 -0.021 0.000 0.876 473 L CB 0.045 42.094 42.059 -0.016 0.000 1.123 473 L HN 0.287 nan 8.230 nan 0.000 0.505 474 I N 1.233 121.783 120.570 -0.033 0.000 3.279 474 I HA 0.694 4.864 4.170 0.000 0.000 0.315 474 I C -2.656 173.438 176.117 -0.037 0.000 1.187 474 I CA -2.605 58.676 61.300 -0.032 0.000 0.953 474 I CB 1.730 39.715 38.000 -0.024 0.000 1.279 474 I HN 0.359 nan 8.210 nan 0.000 0.465 475 P HA 0.228 nan 4.420 nan 0.000 0.274 475 P C -0.758 176.548 177.300 0.009 0.000 1.246 475 P CA -0.460 62.616 63.100 -0.039 0.000 0.795 475 P CB 0.524 32.181 31.700 -0.072 0.000 1.006 476 M N 1.756 121.404 119.600 0.079 0.000 2.228 476 M HA 0.071 4.551 4.480 0.000 0.000 0.351 476 M C 0.026 176.419 176.300 0.155 0.000 1.233 476 M CA 0.251 55.636 55.300 0.143 0.000 1.129 476 M CB 0.198 32.963 32.600 0.275 0.000 1.604 476 M HN 0.323 nan 8.290 nan 0.000 0.457 477 Q N 2.935 122.784 119.800 0.082 0.000 2.256 477 Q HA 0.352 4.692 4.340 0.000 0.000 0.232 477 Q C -1.051 174.989 176.000 0.067 0.000 0.965 477 Q CA -0.658 55.183 55.803 0.063 0.000 0.908 477 Q CB 1.197 29.947 28.738 0.019 0.000 1.209 477 Q HN 0.561 nan 8.270 nan 0.000 0.489 478 Q N 1.190 121.026 119.800 0.061 0.000 2.315 478 Q HA 0.318 4.658 4.340 0.000 0.000 0.273 478 Q C -1.438 174.583 176.000 0.035 0.000 1.053 478 Q CA -0.839 54.990 55.803 0.044 0.000 0.817 478 Q CB 2.188 30.983 28.738 0.094 0.000 1.326 478 Q HN 0.488 nan 8.270 nan 0.000 0.423 479 L N 2.869 124.105 121.223 0.022 0.000 2.369 479 L HA 0.360 4.700 4.340 0.000 0.000 0.279 479 L C -0.348 176.576 176.870 0.089 0.000 1.108 479 L CA 1.139 56.012 54.840 0.055 0.000 0.852 479 L CB 0.001 42.104 42.059 0.073 0.000 1.169 479 L HN 0.514 nan 8.230 nan 0.000 0.452 480 E N 0.000 120.243 120.200 0.072 0.000 2.725 480 E HA 0.000 4.350 4.350 0.000 0.000 0.291 480 E CA 0.000 56.441 56.400 0.069 0.000 0.976 480 E CB 0.000 29.746 29.700 0.077 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440