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 1ooz_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLCGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRXXXX DATA SEQUENCE XXXXXXXXXD NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMXXXXX VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.745 174.700 0.074 0.000 1.109 1 T CA 0.000 62.128 62.100 0.046 0.000 1.349 1 T CB 0.000 68.821 68.868 -0.078 0.000 0.612 2 K N 2.356 122.780 120.400 0.040 0.000 2.235 2 K HA 0.661 4.966 4.320 -0.025 0.000 0.266 2 K C -1.132 175.459 176.600 -0.016 0.000 0.980 2 K CA -0.645 55.682 56.287 0.068 0.000 0.849 2 K CB 0.584 33.125 32.500 0.068 0.000 1.098 2 K HN 0.371 nan 8.250 nan 0.000 0.445 3 F N 3.358 123.285 119.950 -0.037 0.000 2.385 3 F HA 0.344 4.856 4.527 -0.026 0.000 0.336 3 F C -0.329 175.396 175.800 -0.125 0.000 1.100 3 F CA -0.150 57.869 58.000 0.031 0.000 1.116 3 F CB 0.704 39.713 39.000 0.015 0.000 1.166 3 F HN 0.401 nan 8.300 nan 0.000 0.511 4 Y N -0.534 119.867 120.300 0.169 0.000 2.499 4 Y HA 0.324 4.859 4.550 -0.025 0.000 0.347 4 Y C 0.983 176.951 175.900 0.114 0.000 0.987 4 Y CA -0.898 57.270 58.100 0.114 0.000 1.044 4 Y CB 2.117 40.619 38.460 0.071 0.000 1.245 4 Y HN 0.607 nan 8.280 nan 0.000 0.461 5 T N -3.513 111.182 114.554 0.235 0.000 3.014 5 T HA 0.135 4.469 4.350 -0.025 0.000 0.250 5 T C -0.157 174.628 174.700 0.142 0.000 1.060 5 T CA 0.211 62.407 62.100 0.159 0.000 1.040 5 T CB 0.110 69.039 68.868 0.102 0.000 0.971 5 T HN 0.462 nan 8.240 nan 0.000 0.497 6 D N 0.271 120.775 120.400 0.173 0.000 2.391 6 D HA 0.692 5.317 4.640 -0.025 0.000 0.245 6 D C 1.100 177.453 176.300 0.088 0.000 1.069 6 D CA -0.320 53.747 54.000 0.113 0.000 0.831 6 D CB 1.698 42.558 40.800 0.100 0.000 1.204 6 D HN 0.044 nan 8.370 nan 0.000 0.503 7 A N 2.904 125.743 122.820 0.032 0.000 1.933 7 A HA -0.105 4.200 4.320 -0.025 0.000 0.218 7 A C 2.072 179.620 177.584 -0.058 0.000 1.175 7 A CA 1.323 53.346 52.037 -0.023 0.000 0.628 7 A CB -0.593 18.390 19.000 -0.028 0.000 0.814 7 A HN 0.517 nan 8.150 nan 0.000 0.444 8 V N 0.274 120.170 119.914 -0.029 0.000 2.407 8 V HA -0.221 3.883 4.120 -0.025 0.000 0.248 8 V C 2.571 178.644 176.094 -0.036 0.000 1.055 8 V CA 2.131 64.408 62.300 -0.038 0.000 1.049 8 V CB -0.672 31.142 31.823 -0.016 0.000 0.662 8 V HN 0.508 nan 8.190 nan 0.000 0.455 9 E N 0.364 120.573 120.200 0.016 0.000 2.110 9 E HA -0.184 4.151 4.350 -0.025 0.000 0.193 9 E C 2.342 178.895 176.600 -0.078 0.000 0.988 9 E CA 1.525 57.972 56.400 0.078 0.000 0.804 9 E CB -0.530 29.326 29.700 0.260 0.000 0.745 9 E HN 0.587 nan 8.360 nan 0.000 0.458 10 A N 0.745 123.344 122.820 -0.368 0.000 2.015 10 A HA -0.101 4.203 4.320 -0.025 0.000 0.219 10 A C 2.172 179.548 177.584 -0.348 0.000 1.163 10 A CA 1.684 53.228 52.037 -0.822 0.000 0.646 10 A CB -0.111 18.445 19.000 -0.739 0.000 0.806 10 A HN 0.192 nan 8.150 nan 0.000 0.448 11 V N -2.952 116.837 119.914 -0.209 0.000 3.432 11 V HA 0.155 4.260 4.120 -0.025 0.000 0.298 11 V C 1.489 177.464 176.094 -0.199 0.000 1.464 11 V CA 0.619 62.800 62.300 -0.199 0.000 1.046 11 V CB -0.451 31.256 31.823 -0.194 0.000 0.887 11 V HN 0.602 nan 8.190 nan 0.000 0.441 12 K N 2.305 122.636 120.400 -0.116 0.000 2.281 12 K HA -0.179 4.126 4.320 -0.025 0.000 0.203 12 K C 1.212 177.761 176.600 -0.085 0.000 1.046 12 K CA 1.999 58.236 56.287 -0.083 0.000 0.938 12 K CB -0.496 31.988 32.500 -0.028 0.000 0.737 12 K HN 0.624 nan 8.250 nan 0.000 0.458 13 D N 1.285 121.643 120.400 -0.070 0.000 2.328 13 D HA 0.012 4.637 4.640 -0.025 0.000 0.226 13 D C 0.485 176.712 176.300 -0.120 0.000 1.066 13 D CA -0.210 53.777 54.000 -0.021 0.000 0.861 13 D CB -0.315 40.547 40.800 0.104 0.000 0.912 13 D HN 0.280 nan 8.370 nan 0.000 0.521 14 I N 2.633 122.955 120.570 -0.413 0.000 2.587 14 I HA 0.071 4.226 4.170 -0.025 0.000 0.284 14 I C -1.794 174.187 176.117 -0.227 0.000 1.134 14 I CA -1.406 59.498 61.300 -0.661 0.000 1.410 14 I CB 0.446 37.940 38.000 -0.845 0.000 1.392 14 I HN -0.157 nan 8.210 nan 0.000 0.545 15 P HA 0.133 nan 4.420 nan 0.000 0.276 15 P C -0.890 176.394 177.300 -0.027 0.000 1.244 15 P CA -0.588 62.503 63.100 -0.015 0.000 0.801 15 P CB 0.529 32.259 31.700 0.049 0.000 1.006 16 N N 0.287 118.976 118.700 -0.019 0.000 2.395 16 N HA 0.158 4.883 4.740 -0.025 0.000 0.246 16 N C 1.649 177.160 175.510 0.002 0.000 1.246 16 N CA 1.522 54.563 53.050 -0.015 0.000 0.879 16 N CB -0.432 38.049 38.487 -0.010 0.000 1.098 16 N HN 0.798 nan 8.380 nan 0.000 0.444 17 G N -0.621 108.180 108.800 0.003 0.000 2.184 17 G HA2 -0.269 3.676 3.960 -0.025 0.000 0.264 17 G HA3 -0.269 3.676 3.960 -0.025 0.000 0.264 17 G C 0.372 175.291 174.900 0.030 0.000 0.975 17 G CA 0.499 45.608 45.100 0.015 0.000 0.642 17 G HN 0.947 nan 8.290 nan 0.000 0.536 18 A N -0.169 122.672 122.820 0.036 0.000 2.448 18 A HA 0.574 4.879 4.320 -0.025 0.000 0.239 18 A C 0.749 178.378 177.584 0.074 0.000 1.080 18 A CA 1.416 53.500 52.037 0.079 0.000 0.779 18 A CB 0.282 19.342 19.000 0.100 0.000 1.026 18 A HN 0.782 nan 8.150 nan 0.000 0.499 19 T N 1.545 116.158 114.554 0.100 0.000 2.744 19 T HA 0.491 4.826 4.350 -0.025 0.000 0.291 19 T C -0.488 174.281 174.700 0.115 0.000 0.957 19 T CA -0.138 62.010 62.100 0.080 0.000 1.002 19 T CB 0.550 69.457 68.868 0.064 0.000 0.919 19 T HN 0.436 nan 8.240 nan 0.000 0.468 20 V N 5.773 125.738 119.914 0.087 0.000 2.444 20 V HA 0.423 4.528 4.120 -0.025 0.000 0.294 20 V C -0.106 176.028 176.094 0.067 0.000 1.022 20 V CA -0.962 61.400 62.300 0.104 0.000 0.850 20 V CB 1.562 33.422 31.823 0.062 0.000 0.992 20 V HN 0.740 nan 8.190 nan 0.000 0.426 21 L N 5.243 126.514 121.223 0.080 0.000 2.305 21 L HA 0.606 4.931 4.340 -0.025 0.000 0.281 21 L C -0.545 176.354 176.870 0.048 0.000 1.085 21 L CA -0.558 54.313 54.840 0.052 0.000 0.813 21 L CB 1.310 43.407 42.059 0.064 0.000 1.157 21 L HN 0.346 nan 8.230 nan 0.000 0.436 22 V N 2.314 122.239 119.914 0.018 0.000 2.407 22 V HA 0.462 4.567 4.120 -0.025 0.000 0.291 22 V C 0.772 176.879 176.094 0.020 0.000 1.018 22 V CA -0.612 61.698 62.300 0.016 0.000 0.842 22 V CB 1.392 33.207 31.823 -0.013 0.000 0.996 22 V HN 0.911 nan 8.190 nan 0.000 0.426 23 G N 2.519 111.357 108.800 0.063 0.000 2.684 23 G HA2 0.592 4.537 3.960 -0.025 0.000 0.255 23 G HA3 0.592 4.537 3.960 -0.025 0.000 0.255 23 G C 0.286 175.243 174.900 0.095 0.000 1.219 23 G CA 0.342 45.504 45.100 0.102 0.000 0.901 23 G HN 1.711 nan 8.290 nan 0.000 0.548 24 G N -1.990 106.906 108.800 0.159 0.000 2.592 24 G HA2 0.381 4.326 3.960 -0.025 0.000 0.685 24 G HA3 0.381 4.326 3.960 -0.025 0.000 0.685 24 G C -1.167 173.875 174.900 0.238 0.000 1.278 24 G CA -0.367 44.831 45.100 0.163 0.000 0.822 24 G HN 1.363 nan 8.290 nan 0.000 0.652 25 F N 2.876 122.890 119.950 0.106 0.000 2.499 25 F HA 0.630 5.142 4.527 -0.025 0.000 0.333 25 F C 1.034 176.882 175.800 0.080 0.000 1.138 25 F CA 1.356 59.428 58.000 0.120 0.000 0.945 25 F CB 1.324 40.416 39.000 0.154 0.000 1.181 25 F HN 2.230 nan 8.300 nan 0.000 0.435 26 G N 5.122 113.710 108.800 -0.353 0.000 2.611 26 G HA2 -0.323 3.622 3.960 -0.025 0.000 0.301 26 G HA3 -0.323 3.622 3.960 -0.025 0.000 0.301 26 G C 0.379 175.287 174.900 0.014 0.000 1.233 26 G CA 0.363 45.360 45.100 -0.172 0.000 0.993 26 G HN 0.818 nan 8.290 nan 0.000 0.553 27 L N 0.299 121.575 121.223 0.088 0.000 2.700 27 L HA 0.310 4.635 4.340 -0.025 0.000 0.234 27 L C 1.174 178.142 176.870 0.163 0.000 1.156 27 L CA -0.304 54.630 54.840 0.157 0.000 0.946 27 L CB 0.420 42.591 42.059 0.187 0.000 1.216 27 L HN 0.506 nan 8.230 nan 0.000 0.493 28 C N 1.500 120.896 119.300 0.161 0.000 2.303 28 C HA 0.572 5.017 4.460 -0.025 0.000 0.341 28 C C 1.564 176.639 174.990 0.141 0.000 1.244 28 C CA 0.248 59.353 59.018 0.146 0.000 1.765 28 C CB -0.835 27.006 27.740 0.168 0.000 2.379 28 C HN 0.844 nan 8.230 nan 0.000 0.530 29 G N 5.949 114.815 108.800 0.110 0.000 2.225 29 G HA2 -0.203 3.742 3.960 -0.025 0.000 0.264 29 G HA3 -0.203 3.742 3.960 -0.025 0.000 0.264 29 G C -0.118 174.863 174.900 0.134 0.000 1.060 29 G CA 0.450 45.620 45.100 0.117 0.000 0.833 29 G HN 1.332 nan 8.290 nan 0.000 0.498 30 I N -1.810 118.839 120.570 0.133 0.000 2.440 30 I HA 0.638 4.793 4.170 -0.025 0.000 0.294 30 I C -1.915 174.265 176.117 0.106 0.000 0.995 30 I CA -3.073 58.284 61.300 0.096 0.000 1.306 30 I CB 1.691 39.722 38.000 0.052 0.000 1.407 30 I HN -0.070 nan 8.210 nan 0.000 0.501 31 P HA 0.114 nan 4.420 nan 0.000 0.238 31 P C 0.214 177.520 177.300 0.010 0.000 1.794 31 P CA -0.196 62.957 63.100 0.088 0.000 1.088 31 P CB 0.198 31.941 31.700 0.072 0.000 1.923 32 E N 1.904 122.111 120.200 0.012 0.000 2.153 32 E HA -0.197 4.138 4.350 -0.025 0.000 0.194 32 E C 0.968 177.492 176.600 -0.128 0.000 0.988 32 E CA 0.860 57.175 56.400 -0.143 0.000 0.811 32 E CB -0.482 29.138 29.700 -0.134 0.000 0.746 32 E HN 0.285 nan 8.360 nan 0.000 0.466 33 N N 0.950 119.598 118.700 -0.087 0.000 2.250 33 N HA -0.027 4.698 4.740 -0.025 0.000 0.181 33 N C 2.122 177.592 175.510 -0.067 0.000 1.017 33 N CA 0.885 53.873 53.050 -0.104 0.000 0.866 33 N CB -0.016 38.393 38.487 -0.131 0.000 0.985 33 N HN 0.254 nan 8.380 nan 0.000 0.429 34 L N 0.976 122.175 121.223 -0.039 0.000 2.093 34 L HA -0.044 4.281 4.340 -0.025 0.000 0.208 34 L C 2.290 179.120 176.870 -0.066 0.000 1.085 34 L CA 0.735 55.549 54.840 -0.044 0.000 0.755 34 L CB -0.343 41.705 42.059 -0.018 0.000 0.904 34 L HN 0.071 nan 8.230 nan 0.000 0.435 35 I N 0.083 120.605 120.570 -0.079 0.000 2.179 35 I HA -0.212 3.943 4.170 -0.025 0.000 0.242 35 I C 2.646 178.704 176.117 -0.098 0.000 1.088 35 I CA 1.485 62.726 61.300 -0.099 0.000 1.357 35 I CB -0.800 37.114 38.000 -0.143 0.000 1.051 35 I HN 0.275 nan 8.210 nan 0.000 0.409 36 G N 0.465 109.202 108.800 -0.104 0.000 2.442 36 G HA2 -0.272 3.673 3.960 -0.025 0.000 0.219 36 G HA3 -0.272 3.673 3.960 -0.025 0.000 0.219 36 G C 1.844 176.706 174.900 -0.064 0.000 1.141 36 G CA 0.879 45.931 45.100 -0.081 0.000 0.763 36 G HN 0.503 nan 8.290 nan 0.000 0.554 37 A N 0.351 123.131 122.820 -0.066 0.000 1.902 37 A HA 0.075 4.380 4.320 -0.025 0.000 0.217 37 A C 2.339 179.882 177.584 -0.068 0.000 1.181 37 A CA 1.432 53.432 52.037 -0.061 0.000 0.623 37 A CB -0.418 18.542 19.000 -0.067 0.000 0.818 37 A HN 0.297 nan 8.150 nan 0.000 0.443 38 L N -0.350 120.826 121.223 -0.078 0.000 2.127 38 L HA -0.143 4.181 4.340 -0.025 0.000 0.211 38 L C 2.407 179.240 176.870 -0.062 0.000 1.089 38 L CA 1.284 56.075 54.840 -0.081 0.000 0.757 38 L CB -0.591 41.417 42.059 -0.085 0.000 0.899 38 L HN 0.380 nan 8.230 nan 0.000 0.434 39 L N -1.191 119.999 121.223 -0.055 0.000 2.083 39 L HA -0.232 4.093 4.340 -0.025 0.000 0.209 39 L C 2.443 179.292 176.870 -0.035 0.000 1.083 39 L CA 1.257 56.072 54.840 -0.041 0.000 0.752 39 L CB -0.479 41.558 42.059 -0.036 0.000 0.899 39 L HN 0.244 nan 8.230 nan 0.000 0.433 40 K N -0.452 119.926 120.400 -0.037 0.000 2.062 40 K HA -0.108 4.197 4.320 -0.025 0.000 0.205 40 K C 2.166 178.746 176.600 -0.033 0.000 1.051 40 K CA 1.794 58.063 56.287 -0.030 0.000 0.941 40 K CB -0.345 32.139 32.500 -0.027 0.000 0.719 40 K HN 0.423 nan 8.250 nan 0.000 0.440 41 T N -2.031 112.496 114.554 -0.045 0.000 2.867 41 T HA -0.010 4.325 4.350 -0.025 0.000 0.268 41 T C 1.632 176.306 174.700 -0.043 0.000 1.057 41 T CA 1.083 63.154 62.100 -0.048 0.000 1.136 41 T CB -0.320 68.505 68.868 -0.071 0.000 0.874 41 T HN 0.398 nan 8.240 nan 0.000 0.466 42 G N 0.629 109.403 108.800 -0.044 0.000 2.148 42 G HA2 -0.238 3.707 3.960 -0.025 0.000 0.254 42 G HA3 -0.238 3.707 3.960 -0.025 0.000 0.254 42 G C 0.254 175.129 174.900 -0.040 0.000 0.981 42 G CA 0.156 45.235 45.100 -0.036 0.000 0.670 42 G HN 1.041 nan 8.290 nan 0.000 0.528 43 V N 1.346 121.226 119.914 -0.056 0.000 2.788 43 V HA 0.498 4.603 4.120 -0.025 0.000 0.307 43 V C 0.816 176.882 176.094 -0.046 0.000 1.069 43 V CA 1.202 63.466 62.300 -0.061 0.000 1.173 43 V CB 0.749 32.514 31.823 -0.096 0.000 0.925 43 V HN 0.736 nan 8.190 nan 0.000 0.492 44 K N 3.390 123.769 120.400 -0.034 0.000 2.263 44 K HA 0.558 4.863 4.320 -0.025 0.000 0.249 44 K C -0.076 176.515 176.600 -0.016 0.000 1.076 44 K CA -0.598 55.675 56.287 -0.024 0.000 0.884 44 K CB 1.189 33.679 32.500 -0.017 0.000 1.394 44 K HN 0.519 nan 8.250 nan 0.000 0.476 45 E N 0.605 120.800 120.200 -0.009 0.000 2.440 45 E HA -0.196 4.138 4.350 -0.025 0.000 0.246 45 E C -0.688 175.912 176.600 0.001 0.000 1.165 45 E CA 0.311 56.710 56.400 -0.002 0.000 0.726 45 E CB -1.528 28.172 29.700 -0.000 0.000 1.271 45 E HN 0.340 nan 8.360 nan 0.000 0.397 46 L N 0.296 121.517 121.223 -0.003 0.000 2.417 46 L HA 0.184 4.509 4.340 -0.025 0.000 0.268 46 L C 0.897 177.774 176.870 0.011 0.000 1.158 46 L CA 0.136 54.977 54.840 0.002 0.000 0.819 46 L CB 0.773 42.827 42.059 -0.009 0.000 1.112 46 L HN -0.070 nan 8.230 nan 0.000 0.458 47 T N 2.501 117.066 114.554 0.019 0.000 2.781 47 T HA 0.469 4.804 4.350 -0.025 0.000 0.305 47 T C 0.075 174.787 174.700 0.019 0.000 1.001 47 T CA -0.448 61.664 62.100 0.021 0.000 0.950 47 T CB 0.906 69.789 68.868 0.024 0.000 0.955 47 T HN 0.646 nan 8.240 nan 0.000 0.471 48 A N 3.835 126.663 122.820 0.012 0.000 2.260 48 A HA 0.621 4.926 4.320 -0.025 0.000 0.308 48 A C 0.004 177.581 177.584 -0.012 0.000 1.254 48 A CA -0.566 51.473 52.037 0.002 0.000 0.874 48 A CB 0.449 19.447 19.000 -0.004 0.000 1.153 48 A HN 0.655 nan 8.150 nan 0.000 0.527 49 V N 2.947 122.851 119.914 -0.016 0.000 2.333 49 V HA 0.579 4.684 4.120 -0.025 0.000 0.274 49 V C 0.334 176.377 176.094 -0.084 0.000 1.028 49 V CA 0.047 62.321 62.300 -0.042 0.000 0.851 49 V CB 0.782 32.597 31.823 -0.014 0.000 1.000 49 V HN 0.899 nan 8.190 nan 0.000 0.456 50 S N 3.641 119.255 115.700 -0.144 0.000 2.603 50 S HA 0.320 4.774 4.470 -0.025 0.000 0.274 50 S C 0.680 175.092 174.600 -0.313 0.000 1.168 50 S CA -0.644 57.437 58.200 -0.200 0.000 0.963 50 S CB 1.503 64.628 63.200 -0.125 0.000 1.078 50 S HN 0.736 nan 8.310 nan 0.000 0.477 51 N N 4.541 122.924 118.700 -0.529 0.000 2.037 51 N HA -0.090 4.635 4.740 -0.025 0.000 0.196 51 N C 0.320 175.643 175.510 -0.313 0.000 1.034 51 N CA 2.095 54.792 53.050 -0.589 0.000 0.861 51 N CB -0.144 37.867 38.487 -0.793 0.000 1.039 51 N HN 0.764 nan 8.380 nan 0.000 0.427 52 N N -2.255 116.286 118.700 -0.265 0.000 2.815 52 N HA 0.585 5.310 4.740 -0.025 0.000 0.315 52 N C -0.927 174.457 175.510 -0.210 0.000 1.320 52 N CA -0.327 52.589 53.050 -0.224 0.000 0.846 52 N CB 1.352 39.713 38.487 -0.211 0.000 1.344 52 N HN 0.101 nan 8.380 nan 0.000 0.593 53 A N -0.049 122.631 122.820 -0.233 0.000 2.630 53 A HA 0.616 4.921 4.320 -0.025 0.000 0.290 53 A C 1.032 178.556 177.584 -0.101 0.000 1.267 53 A CA 0.224 52.148 52.037 -0.188 0.000 0.950 53 A CB -1.213 17.589 19.000 -0.329 0.000 1.144 53 A HN 0.904 nan 8.150 nan 0.000 0.527 54 G N -0.361 108.393 108.800 -0.077 0.000 2.596 54 G HA2 -0.114 3.831 3.960 -0.025 0.000 0.295 54 G HA3 -0.114 3.831 3.960 -0.025 0.000 0.295 54 G C 0.464 175.372 174.900 0.013 0.000 1.240 54 G CA 1.306 46.403 45.100 -0.006 0.000 0.985 54 G HN 1.854 nan 8.290 nan 0.000 0.555 55 V N -3.617 116.341 119.914 0.073 0.000 3.156 55 V HA 0.739 4.844 4.120 -0.025 0.000 0.311 55 V C 1.193 177.336 176.094 0.082 0.000 1.208 55 V CA 0.550 62.889 62.300 0.066 0.000 1.063 55 V CB 1.308 33.179 31.823 0.080 0.000 1.098 55 V HN 0.639 nan 8.190 nan 0.000 0.452 56 D N 1.877 122.320 120.400 0.071 0.000 2.133 56 D HA -0.175 4.450 4.640 -0.025 0.000 0.192 56 D C 1.117 177.471 176.300 0.091 0.000 1.001 56 D CA 2.564 56.608 54.000 0.074 0.000 0.844 56 D CB -0.095 40.741 40.800 0.060 0.000 0.944 56 D HN 0.900 nan 8.370 nan 0.000 0.447 57 N N -0.657 118.114 118.700 0.119 0.000 2.389 57 N HA 0.052 4.777 4.740 -0.025 0.000 0.260 57 N C -0.746 174.942 175.510 0.297 0.000 1.191 57 N CA -0.277 52.864 53.050 0.151 0.000 0.885 57 N CB 0.063 38.621 38.487 0.119 0.000 1.162 57 N HN 0.028 nan 8.380 nan 0.000 0.512 58 F N -0.531 119.425 119.950 0.010 0.000 2.678 58 F HA 0.548 5.060 4.527 -0.025 0.000 0.308 58 F C 0.774 176.579 175.800 0.008 0.000 1.118 58 F CA 0.542 58.548 58.000 0.011 0.000 0.959 58 F CB 1.234 40.242 39.000 0.014 0.000 1.305 58 F HN 0.253 nan 8.300 nan 0.000 0.443 59 G N 3.283 111.786 108.800 -0.495 0.000 2.547 59 G HA2 -0.285 3.659 3.960 -0.025 0.000 0.271 59 G HA3 -0.285 3.659 3.960 -0.025 0.000 0.271 59 G C 0.571 175.380 174.900 -0.151 0.000 1.209 59 G CA -0.050 44.888 45.100 -0.271 0.000 0.959 59 G HN 0.877 nan 8.290 nan 0.000 0.563 60 L N 2.199 123.372 121.223 -0.083 0.000 2.187 60 L HA -0.063 4.262 4.340 -0.025 0.000 0.213 60 L C 3.165 180.024 176.870 -0.018 0.000 1.100 60 L CA 3.013 57.823 54.840 -0.051 0.000 0.765 60 L CB -1.673 40.358 42.059 -0.046 0.000 0.904 60 L HN 0.939 nan 8.230 nan 0.000 0.437 61 G N -0.563 108.237 108.800 -0.001 0.000 2.462 61 G HA2 -0.242 3.702 3.960 -0.025 0.000 0.220 61 G HA3 -0.242 3.702 3.960 -0.025 0.000 0.220 61 G C 1.728 176.645 174.900 0.027 0.000 1.121 61 G CA 0.448 45.570 45.100 0.036 0.000 0.758 61 G HN 0.372 nan 8.290 nan 0.000 0.559 62 L N -0.278 120.942 121.223 -0.006 0.000 2.093 62 L HA 0.035 4.360 4.340 -0.025 0.000 0.208 62 L C 2.770 179.633 176.870 -0.012 0.000 1.085 62 L CA 0.583 55.416 54.840 -0.010 0.000 0.755 62 L CB -0.261 41.765 42.059 -0.056 0.000 0.904 62 L HN 0.191 nan 8.230 nan 0.000 0.435 63 L N -0.896 120.314 121.223 -0.021 0.000 2.240 63 L HA -0.136 4.188 4.340 -0.025 0.000 0.211 63 L C 2.355 179.227 176.870 0.004 0.000 1.106 63 L CA 0.625 55.455 54.840 -0.016 0.000 0.793 63 L CB -0.249 41.794 42.059 -0.026 0.000 0.927 63 L HN 0.278 nan 8.230 nan 0.000 0.446 64 L N -0.644 120.592 121.223 0.022 0.000 2.072 64 L HA -0.189 4.135 4.340 -0.025 0.000 0.205 64 L C 2.671 179.557 176.870 0.027 0.000 1.079 64 L CA 0.863 55.727 54.840 0.039 0.000 0.752 64 L CB -0.394 41.714 42.059 0.081 0.000 0.906 64 L HN 0.236 nan 8.230 nan 0.000 0.436 65 Q N 0.704 120.521 119.800 0.028 0.000 2.096 65 Q HA -0.202 4.123 4.340 -0.025 0.000 0.204 65 Q C 2.199 178.205 176.000 0.011 0.000 0.982 65 Q CA 2.323 58.139 55.803 0.023 0.000 0.850 65 Q CB -0.281 28.474 28.738 0.028 0.000 0.901 65 Q HN 0.524 nan 8.270 nan 0.000 0.422 66 S N -0.701 115.002 115.700 0.005 0.000 2.607 66 S HA 0.056 4.511 4.470 -0.025 0.000 0.224 66 S C 0.201 174.799 174.600 -0.004 0.000 0.969 66 S CA 0.443 58.642 58.200 -0.002 0.000 0.927 66 S CB -0.184 63.011 63.200 -0.009 0.000 0.772 66 S HN 0.452 nan 8.310 nan 0.000 0.533 67 K N 0.090 120.490 120.400 -0.000 0.000 3.129 67 K HA -0.217 4.088 4.320 -0.025 0.000 0.273 67 K C 0.295 176.892 176.600 -0.005 0.000 1.123 67 K CA 0.975 57.261 56.287 -0.002 0.000 0.800 67 K CB -1.881 30.617 32.500 -0.005 0.000 1.238 67 K HN 0.584 nan 8.250 nan 0.000 0.492 68 Q N -0.073 119.723 119.800 -0.007 0.000 2.360 68 Q HA 0.200 4.524 4.340 -0.025 0.000 0.202 68 Q C 0.251 176.246 176.000 -0.008 0.000 0.915 68 Q CA 0.347 56.142 55.803 -0.013 0.000 0.943 68 Q CB 0.356 29.081 28.738 -0.022 0.000 1.064 68 Q HN 0.408 nan 8.270 nan 0.000 0.511 69 I N 0.743 121.314 120.570 0.001 0.000 2.378 69 I HA 0.111 4.266 4.170 -0.025 0.000 0.291 69 I C 0.879 177.003 176.117 0.011 0.000 0.992 69 I CA -0.271 61.035 61.300 0.009 0.000 1.154 69 I CB 1.592 39.605 38.000 0.022 0.000 1.315 69 I HN -0.052 nan 8.210 nan 0.000 0.448 70 K N 5.972 126.378 120.400 0.011 0.000 2.128 70 K HA 0.151 4.456 4.320 -0.025 0.000 0.202 70 K C 0.726 177.339 176.600 0.021 0.000 1.050 70 K CA 0.694 56.988 56.287 0.012 0.000 0.966 70 K CB 0.532 33.038 32.500 0.010 0.000 0.759 70 K HN 0.575 nan 8.250 nan 0.000 0.454 71 R N 0.348 120.864 120.500 0.025 0.000 2.626 71 R HA 0.302 4.627 4.340 -0.025 0.000 0.274 71 R C -1.523 174.800 176.300 0.038 0.000 1.031 71 R CA -0.520 55.600 56.100 0.034 0.000 0.898 71 R CB 1.415 31.731 30.300 0.027 0.000 1.222 71 R HN 0.007 nan 8.270 nan 0.000 0.455 72 M N 4.798 124.432 119.600 0.058 0.000 2.404 72 M HA 0.466 4.930 4.480 -0.025 0.000 0.338 72 M C -0.631 175.679 176.300 0.016 0.000 1.150 72 M CA -0.717 54.612 55.300 0.049 0.000 1.016 72 M CB 2.040 34.710 32.600 0.116 0.000 1.672 72 M HN 0.445 nan 8.290 nan 0.000 0.448 73 I N 2.050 122.608 120.570 -0.020 0.000 2.448 73 I HA 0.398 4.553 4.170 -0.025 0.000 0.281 73 I C -0.747 175.318 176.117 -0.087 0.000 1.027 73 I CA -0.126 61.151 61.300 -0.039 0.000 1.111 73 I CB 1.417 39.401 38.000 -0.027 0.000 1.236 73 I HN 0.657 nan 8.210 nan 0.000 0.452 74 S N 1.944 117.581 115.700 -0.105 0.000 2.651 74 S HA 0.351 4.806 4.470 -0.025 0.000 0.279 74 S C 0.460 174.974 174.600 -0.143 0.000 1.148 74 S CA -0.575 57.528 58.200 -0.162 0.000 0.837 74 S CB 2.003 65.090 63.200 -0.189 0.000 1.138 74 S HN 0.668 nan 8.310 nan 0.000 0.478 75 S N -0.427 115.188 115.700 -0.143 0.000 2.505 75 S HA 0.297 4.752 4.470 -0.025 0.000 0.216 75 S C -0.259 174.342 174.600 0.002 0.000 1.018 75 S CA -0.028 58.123 58.200 -0.081 0.000 0.911 75 S CB -0.022 63.145 63.200 -0.055 0.000 0.818 75 S HN 0.743 nan 8.310 nan 0.000 0.497 76 Y N 1.063 121.253 120.300 -0.182 0.000 2.348 76 Y HA 0.469 5.005 4.550 -0.024 0.000 0.321 76 Y C -0.566 175.171 175.900 -0.271 0.000 1.163 76 Y CA -1.007 56.990 58.100 -0.172 0.000 1.070 76 Y CB 1.825 40.207 38.460 -0.130 0.000 1.250 76 Y HN 0.098 nan 8.280 nan 0.000 0.425 77 V N 2.743 122.075 119.914 -0.971 0.000 3.078 77 V HA 0.638 4.743 4.120 -0.025 0.000 0.344 77 V C 0.730 176.247 176.094 -0.962 0.000 1.409 77 V CA 0.269 61.977 62.300 -0.986 0.000 1.146 77 V CB 0.073 31.092 31.823 -1.341 0.000 1.126 77 V HN 0.912 nan 8.190 nan 0.000 0.513 78 G N 0.254 108.339 108.800 -1.192 0.000 2.634 78 G HA2 0.487 4.431 3.960 -0.025 0.000 0.255 78 G HA3 0.487 4.431 3.960 -0.025 0.000 0.255 78 G C 0.096 174.851 174.900 -0.241 0.000 1.205 78 G CA 0.060 44.807 45.100 -0.589 0.000 0.884 78 G HN 0.629 nan 8.290 nan 0.000 0.549 79 E N -1.048 119.107 120.200 -0.074 0.000 2.305 79 E HA -0.154 4.181 4.350 -0.025 0.000 0.242 79 E C -0.353 176.238 176.600 -0.015 0.000 1.143 79 E CA 0.871 57.267 56.400 -0.007 0.000 0.716 79 E CB -1.446 28.275 29.700 0.035 0.000 1.255 79 E HN 0.515 nan 8.360 nan 0.000 0.391 80 N N -1.102 117.600 118.700 0.002 0.000 3.193 80 N HA 0.388 5.112 4.740 -0.025 0.000 0.234 80 N C -0.063 175.518 175.510 0.119 0.000 1.267 80 N CA 0.456 53.537 53.050 0.052 0.000 0.875 80 N CB 0.750 39.256 38.487 0.032 0.000 1.592 80 N HN 0.093 nan 8.380 nan 0.000 0.648 81 A N 1.905 124.780 122.820 0.092 0.000 2.169 81 A HA -0.007 4.297 4.320 -0.025 0.000 0.212 81 A C 1.614 179.252 177.584 0.090 0.000 1.153 81 A CA 1.082 53.173 52.037 0.091 0.000 0.756 81 A CB 0.030 19.063 19.000 0.056 0.000 0.813 81 A HN 0.616 nan 8.150 nan 0.000 0.471 82 E N -0.570 119.689 120.200 0.099 0.000 2.122 82 E HA -0.070 4.264 4.350 -0.025 0.000 0.190 82 E C 1.489 178.139 176.600 0.084 0.000 0.977 82 E CA 0.968 57.410 56.400 0.071 0.000 0.820 82 E CB -0.515 29.223 29.700 0.063 0.000 0.770 82 E HN 0.501 nan 8.360 nan 0.000 0.462 83 F N 1.635 121.593 119.950 0.013 0.000 2.069 83 F HA -0.138 4.374 4.527 -0.024 0.000 0.298 83 F C 2.166 178.003 175.800 0.062 0.000 1.113 83 F CA 2.294 60.305 58.000 0.018 0.000 1.214 83 F CB -0.485 38.501 39.000 -0.024 0.000 0.978 83 F HN 0.149 nan 8.300 nan 0.000 0.474 84 E N 0.245 120.576 120.200 0.218 0.000 2.058 84 E HA -0.292 4.043 4.350 -0.025 0.000 0.194 84 E C 2.566 179.171 176.600 0.009 0.000 0.997 84 E CA 1.496 57.981 56.400 0.143 0.000 0.801 84 E CB -0.358 29.462 29.700 0.201 0.000 0.746 84 E HN 0.432 nan 8.360 nan 0.000 0.450 85 R N 0.181 120.682 120.500 0.002 0.000 2.080 85 R HA -0.207 4.118 4.340 -0.025 0.000 0.236 85 R C 2.405 178.662 176.300 -0.072 0.000 1.137 85 R CA 2.104 58.186 56.100 -0.030 0.000 0.943 85 R CB -0.156 30.137 30.300 -0.013 0.000 0.846 85 R HN 0.314 nan 8.270 nan 0.000 0.431 86 Q N -0.996 118.748 119.800 -0.093 0.000 2.124 86 Q HA -0.223 4.101 4.340 -0.025 0.000 0.202 86 Q C 1.848 177.783 176.000 -0.109 0.000 0.977 86 Q CA 1.720 57.462 55.803 -0.101 0.000 0.850 86 Q CB -0.226 28.450 28.738 -0.102 0.000 0.901 86 Q HN 0.409 nan 8.270 nan 0.000 0.429 87 Y N 1.249 121.355 120.300 -0.324 0.000 2.089 87 Y HA -0.205 4.330 4.550 -0.025 0.000 0.282 87 Y C 1.773 177.656 175.900 -0.028 0.000 1.139 87 Y CA 1.437 59.387 58.100 -0.251 0.000 1.123 87 Y CB -0.434 37.758 38.460 -0.447 0.000 0.980 87 Y HN -0.009 nan 8.280 nan 0.000 0.493 88 L N -0.002 121.046 121.223 -0.292 0.000 2.131 88 L HA -0.190 4.134 4.340 -0.025 0.000 0.210 88 L C 2.586 179.241 176.870 -0.359 0.000 1.092 88 L CA 1.187 55.762 54.840 -0.442 0.000 0.759 88 L CB -0.927 40.971 42.059 -0.267 0.000 0.903 88 L HN 0.353 nan 8.230 nan 0.000 0.435 89 A N -0.428 122.269 122.820 -0.205 0.000 2.167 89 A HA 0.227 4.532 4.320 -0.025 0.000 0.214 89 A C 1.808 179.326 177.584 -0.110 0.000 1.151 89 A CA 0.840 52.789 52.037 -0.146 0.000 0.735 89 A CB -0.447 18.495 19.000 -0.097 0.000 0.802 89 A HN 0.537 nan 8.150 nan 0.000 0.467 90 G N -0.816 107.926 108.800 -0.097 0.000 2.136 90 G HA2 -0.256 3.689 3.960 -0.025 0.000 0.242 90 G HA3 -0.256 3.689 3.960 -0.025 0.000 0.242 90 G C 0.400 175.286 174.900 -0.024 0.000 0.989 90 G CA 0.596 45.680 45.100 -0.026 0.000 0.682 90 G HN 0.599 nan 8.290 nan 0.000 0.522 91 E N -1.371 118.807 120.200 -0.037 0.000 2.400 91 E HA 0.351 4.686 4.350 -0.025 0.000 0.195 91 E C 0.626 177.215 176.600 -0.018 0.000 1.012 91 E CA 0.208 56.592 56.400 -0.027 0.000 0.875 91 E CB 0.593 30.273 29.700 -0.035 0.000 0.859 91 E HN 0.438 nan 8.360 nan 0.000 0.498 92 L N 1.125 122.341 121.223 -0.012 0.000 2.408 92 L HA 0.330 4.655 4.340 -0.025 0.000 0.268 92 L C -1.273 175.637 176.870 0.066 0.000 0.986 92 L CA -0.610 54.231 54.840 0.001 0.000 0.820 92 L CB 1.984 44.002 42.059 -0.068 0.000 1.303 92 L HN -0.223 nan 8.230 nan 0.000 0.411 93 E N 3.273 123.510 120.200 0.060 0.000 2.231 93 E HA 0.645 4.980 4.350 -0.025 0.000 0.277 93 E C -1.329 175.325 176.600 0.089 0.000 0.999 93 E CA -0.794 55.658 56.400 0.087 0.000 0.827 93 E CB 2.238 31.966 29.700 0.046 0.000 1.101 93 E HN 0.403 nan 8.360 nan 0.000 0.393 94 V N 2.507 122.479 119.914 0.097 0.000 2.569 94 V HA 0.210 4.315 4.120 -0.025 0.000 0.301 94 V C -0.722 175.375 176.094 0.006 0.000 1.044 94 V CA -0.779 61.540 62.300 0.031 0.000 0.874 94 V CB 1.700 33.453 31.823 -0.116 0.000 1.002 94 V HN 0.660 nan 8.190 nan 0.000 0.424 95 E N 4.674 124.876 120.200 0.002 0.000 2.114 95 E HA 0.532 4.867 4.350 -0.025 0.000 0.266 95 E C -1.092 175.490 176.600 -0.030 0.000 0.896 95 E CA -0.518 55.876 56.400 -0.009 0.000 0.750 95 E CB 2.019 31.713 29.700 -0.009 0.000 1.121 95 E HN 0.546 nan 8.360 nan 0.000 0.413 96 L N 3.068 124.271 121.223 -0.034 0.000 2.305 96 L HA 0.332 4.656 4.340 -0.025 0.000 0.281 96 L C 0.434 177.258 176.870 -0.077 0.000 1.085 96 L CA -0.159 54.645 54.840 -0.059 0.000 0.813 96 L CB 1.044 43.084 42.059 -0.031 0.000 1.157 96 L HN 0.496 nan 8.230 nan 0.000 0.436 97 T N 1.854 116.351 114.554 -0.095 0.000 2.886 97 T HA 0.522 4.857 4.350 -0.025 0.000 0.292 97 T C -2.763 171.863 174.700 -0.124 0.000 1.012 97 T CA -2.231 59.813 62.100 -0.093 0.000 0.982 97 T CB 2.252 71.088 68.868 -0.055 0.000 1.018 97 T HN 0.141 nan 8.240 nan 0.000 0.451 98 P HA 0.044 nan 4.420 nan 0.000 0.265 98 P C 0.842 178.032 177.300 -0.182 0.000 1.187 98 P CA 0.030 63.023 63.100 -0.178 0.000 0.766 98 P CB 0.449 32.056 31.700 -0.156 0.000 0.820 99 Q N 2.695 122.361 119.800 -0.224 0.000 2.112 99 Q HA -0.191 4.134 4.340 -0.025 0.000 0.206 99 Q C 2.023 177.693 176.000 -0.551 0.000 0.987 99 Q CA 2.356 58.017 55.803 -0.238 0.000 0.858 99 Q CB -0.775 27.892 28.738 -0.118 0.000 0.905 99 Q HN 0.705 nan 8.270 nan 0.000 0.420 100 G N -1.038 107.067 108.800 -1.159 0.000 2.421 100 G HA2 -0.169 3.776 3.960 -0.025 0.000 0.217 100 G HA3 -0.169 3.776 3.960 -0.025 0.000 0.217 100 G C 1.295 176.041 174.900 -0.256 0.000 1.143 100 G CA 1.046 45.483 45.100 -1.105 0.000 0.784 100 G HN 0.334 nan 8.290 nan 0.000 0.541 101 T N 0.990 115.467 114.554 -0.128 0.000 2.821 101 T HA -0.080 4.255 4.350 -0.025 0.000 0.267 101 T C 2.228 176.995 174.700 0.111 0.000 1.046 101 T CA 1.034 63.182 62.100 0.080 0.000 1.139 101 T CB -0.135 68.768 68.868 0.058 0.000 0.871 101 T HN 0.158 nan 8.240 nan 0.000 0.454 102 L N 1.513 122.770 121.223 0.057 0.000 2.017 102 L HA 0.080 4.404 4.340 -0.025 0.000 0.208 102 L C 2.571 179.588 176.870 0.245 0.000 1.073 102 L CA 1.945 56.862 54.840 0.127 0.000 0.745 102 L CB -0.947 41.155 42.059 0.073 0.000 0.894 102 L HN 0.196 nan 8.230 nan 0.000 0.432 103 A N -0.877 122.107 122.820 0.273 0.000 1.902 103 A HA -0.230 4.074 4.320 -0.025 0.000 0.217 103 A C 2.263 179.847 177.584 -0.001 0.000 1.181 103 A CA 1.752 53.862 52.037 0.122 0.000 0.623 103 A CB -0.678 18.227 19.000 -0.158 0.000 0.818 103 A HN 0.544 nan 8.150 nan 0.000 0.443 104 E N -0.012 120.165 120.200 -0.039 0.000 2.107 104 E HA -0.080 4.254 4.350 -0.025 0.000 0.191 104 E C 2.159 178.657 176.600 -0.170 0.000 0.982 104 E CA 1.117 57.380 56.400 -0.228 0.000 0.809 104 E CB -0.198 29.252 29.700 -0.417 0.000 0.756 104 E HN 0.586 nan 8.360 nan 0.000 0.459 105 R N -0.171 120.416 120.500 0.144 0.000 2.081 105 R HA -0.029 4.296 4.340 -0.025 0.000 0.235 105 R C 2.438 178.809 176.300 0.118 0.000 1.131 105 R CA 1.505 57.767 56.100 0.270 0.000 0.960 105 R CB -0.364 30.078 30.300 0.238 0.000 0.856 105 R HN 0.264 nan 8.270 nan 0.000 0.436 106 I N 0.288 120.912 120.570 0.089 0.000 2.202 106 I HA -0.271 3.884 4.170 -0.025 0.000 0.242 106 I C 2.815 178.936 176.117 0.007 0.000 1.091 106 I CA 1.117 62.455 61.300 0.064 0.000 1.368 106 I CB -0.287 37.778 38.000 0.108 0.000 1.058 106 I HN 0.144 nan 8.210 nan 0.000 0.410 107 R N 1.331 121.807 120.500 -0.041 0.000 2.083 107 R HA -0.221 4.104 4.340 -0.025 0.000 0.237 107 R C 2.371 178.630 176.300 -0.069 0.000 1.137 107 R CA 1.818 57.865 56.100 -0.088 0.000 0.951 107 R CB -0.333 29.882 30.300 -0.141 0.000 0.851 107 R HN 0.368 nan 8.270 nan 0.000 0.434 108 A N 0.343 123.120 122.820 -0.071 0.000 1.917 108 A HA -0.134 4.171 4.320 -0.025 0.000 0.219 108 A C 2.375 179.975 177.584 0.027 0.000 1.182 108 A CA 1.900 53.928 52.037 -0.015 0.000 0.633 108 A CB -1.337 17.717 19.000 0.091 0.000 0.819 108 A HN 0.603 nan 8.150 nan 0.000 0.448 109 G N -1.140 107.683 108.800 0.039 0.000 2.462 109 G HA2 0.063 4.008 3.960 -0.025 0.000 0.220 109 G HA3 0.063 4.008 3.960 -0.025 0.000 0.220 109 G C 1.270 176.187 174.900 0.029 0.000 1.121 109 G CA 1.239 46.363 45.100 0.040 0.000 0.758 109 G HN 0.805 nan 8.290 nan 0.000 0.559 110 G N -0.427 108.378 108.800 0.010 0.000 2.887 110 G HA2 0.367 4.312 3.960 -0.025 0.000 0.211 110 G HA3 0.367 4.312 3.960 -0.025 0.000 0.211 110 G C 1.266 176.191 174.900 0.042 0.000 1.152 110 G CA 0.957 46.067 45.100 0.017 0.000 0.769 110 G HN 0.551 nan 8.290 nan 0.000 0.541 111 A N -0.257 122.576 122.820 0.022 0.000 2.387 111 A HA 0.526 4.831 4.320 -0.025 0.000 0.234 111 A C 1.792 179.395 177.584 0.032 0.000 1.253 111 A CA 0.960 53.014 52.037 0.028 0.000 0.894 111 A CB -0.277 18.720 19.000 -0.005 0.000 0.963 111 A HN 1.363 nan 8.150 nan 0.000 0.508 112 G N -1.068 107.754 108.800 0.038 0.000 2.153 112 G HA2 -0.192 3.753 3.960 -0.025 0.000 0.252 112 G HA3 -0.192 3.753 3.960 -0.025 0.000 0.252 112 G C 0.072 174.993 174.900 0.036 0.000 0.994 112 G CA 0.328 45.449 45.100 0.036 0.000 0.698 112 G HN 0.843 nan 8.290 nan 0.000 0.521 113 V N 1.880 121.818 119.914 0.041 0.000 2.347 113 V HA 0.381 4.486 4.120 -0.025 0.000 0.280 113 V C -0.191 175.949 176.094 0.078 0.000 1.021 113 V CA -0.698 61.636 62.300 0.057 0.000 0.847 113 V CB 1.770 33.628 31.823 0.058 0.000 0.990 113 V HN 0.167 nan 8.190 nan 0.000 0.444 114 P HA 0.162 nan 4.420 nan 0.000 0.227 114 P C 0.177 177.501 177.300 0.040 0.000 1.161 114 P CA 0.707 63.834 63.100 0.047 0.000 0.788 114 P CB 0.869 32.584 31.700 0.024 0.000 0.822 115 A N -0.737 122.113 122.820 0.050 0.000 2.597 115 A HA 0.639 4.944 4.320 -0.025 0.000 0.292 115 A C -1.507 176.070 177.584 -0.011 0.000 1.057 115 A CA -0.644 51.356 52.037 -0.060 0.000 0.674 115 A CB 0.481 19.373 19.000 -0.180 0.000 1.278 115 A HN 0.095 nan 8.150 nan 0.000 0.416 116 F N -1.693 118.136 119.950 -0.201 0.000 2.711 116 F HA 0.854 5.366 4.527 -0.025 0.000 0.313 116 F C -1.655 173.963 175.800 -0.304 0.000 1.141 116 F CA -1.476 56.411 58.000 -0.188 0.000 0.941 116 F CB 0.688 39.639 39.000 -0.081 0.000 1.349 116 F HN 0.505 nan 8.300 nan 0.000 0.464 117 Y N -0.036 120.249 120.300 -0.025 0.000 2.420 117 Y HA 0.674 5.209 4.550 -0.026 0.000 0.334 117 Y C 0.328 176.340 175.900 0.187 0.000 1.094 117 Y CA -0.601 57.486 58.100 -0.022 0.000 1.126 117 Y CB 2.142 40.556 38.460 -0.076 0.000 1.217 117 Y HN 0.896 nan 8.280 nan 0.000 0.462 118 T N -0.545 114.282 114.554 0.455 0.000 2.932 118 T HA 0.260 4.595 4.350 -0.025 0.000 0.318 118 T C 0.426 175.467 174.700 0.569 0.000 1.265 118 T CA -0.188 62.227 62.100 0.525 0.000 1.036 118 T CB 0.911 70.036 68.868 0.427 0.000 1.209 118 T HN 0.667 nan 8.240 nan 0.000 0.484 119 S N 1.742 117.736 115.700 0.491 0.000 2.496 119 S HA 0.115 4.570 4.470 -0.025 0.000 0.224 119 S C 0.883 175.585 174.600 0.170 0.000 0.996 119 S CA 0.086 58.374 58.200 0.147 0.000 0.927 119 S CB -0.462 62.664 63.200 -0.125 0.000 0.774 119 S HN 0.771 nan 8.310 nan 0.000 0.524 120 T N 2.637 117.304 114.554 0.188 0.000 2.871 120 T HA 0.444 4.778 4.350 -0.025 0.000 0.296 120 T C 1.378 176.137 174.700 0.097 0.000 0.998 120 T CA 0.916 63.090 62.100 0.123 0.000 1.162 120 T CB 0.256 69.187 68.868 0.105 0.000 0.947 120 T HN 0.883 nan 8.240 nan 0.000 0.536 121 G N 2.717 111.550 108.800 0.054 0.000 2.217 121 G HA2 -0.281 3.664 3.960 -0.025 0.000 0.246 121 G HA3 -0.281 3.664 3.960 -0.025 0.000 0.246 121 G C 0.068 174.996 174.900 0.048 0.000 0.990 121 G CA -0.001 45.110 45.100 0.018 0.000 0.627 121 G HN 0.818 nan 8.290 nan 0.000 0.522 122 Y N 1.472 121.781 120.300 0.016 0.000 2.610 122 Y HA 0.342 4.876 4.550 -0.026 0.000 0.332 122 Y C 1.570 177.466 175.900 -0.007 0.000 1.201 122 Y CA 1.351 59.456 58.100 0.010 0.000 1.465 122 Y CB 0.706 39.163 38.460 -0.006 0.000 1.283 122 Y HN 1.456 nan 8.280 nan 0.000 0.563 123 G N 3.174 111.347 108.800 -1.045 0.000 2.168 123 G HA2 -0.289 3.656 3.960 -0.025 0.000 0.263 123 G HA3 -0.289 3.656 3.960 -0.025 0.000 0.263 123 G C 0.196 174.952 174.900 -0.239 0.000 0.977 123 G CA 0.731 45.439 45.100 -0.654 0.000 0.659 123 G HN 1.186 nan 8.290 nan 0.000 0.533 124 T N -3.292 111.173 114.554 -0.147 0.000 2.807 124 T HA 0.700 5.035 4.350 -0.025 0.000 0.277 124 T C 1.483 176.192 174.700 0.013 0.000 1.006 124 T CA -0.177 61.922 62.100 -0.002 0.000 1.006 124 T CB 1.344 70.240 68.868 0.047 0.000 1.274 124 T HN 0.200 nan 8.240 nan 0.000 0.569 125 L N 0.667 121.958 121.223 0.112 0.000 2.265 125 L HA -0.060 4.265 4.340 -0.025 0.000 0.215 125 L C 2.664 179.569 176.870 0.058 0.000 1.117 125 L CA 0.690 55.598 54.840 0.113 0.000 0.782 125 L CB -0.475 41.728 42.059 0.241 0.000 0.914 125 L HN 0.583 nan 8.230 nan 0.000 0.441 126 V N -0.436 119.490 119.914 0.020 0.000 2.307 126 V HA -0.337 3.768 4.120 -0.025 0.000 0.245 126 V C 2.387 178.478 176.094 -0.005 0.000 1.045 126 V CA 2.117 64.409 62.300 -0.013 0.000 1.024 126 V CB -0.509 31.286 31.823 -0.047 0.000 0.651 126 V HN 0.571 nan 8.190 nan 0.000 0.449 127 Q N 0.042 119.833 119.800 -0.015 0.000 2.083 127 Q HA -0.219 4.105 4.340 -0.025 0.000 0.198 127 Q C 2.090 178.081 176.000 -0.015 0.000 0.969 127 Q CA 1.809 57.605 55.803 -0.012 0.000 0.838 127 Q CB -0.077 28.616 28.738 -0.074 0.000 0.900 127 Q HN 0.733 nan 8.270 nan 0.000 0.436 128 E N -0.084 120.101 120.200 -0.025 0.000 2.347 128 E HA 0.073 4.408 4.350 -0.025 0.000 0.196 128 E C 0.836 177.438 176.600 0.003 0.000 1.008 128 E CA 0.235 56.625 56.400 -0.016 0.000 0.852 128 E CB 0.035 29.722 29.700 -0.021 0.000 0.783 128 E HN 0.529 nan 8.360 nan 0.000 0.505 129 G N -0.161 108.646 108.800 0.012 0.000 2.804 129 G HA2 -0.179 3.766 3.960 -0.025 0.000 0.230 129 G HA3 -0.179 3.766 3.960 -0.025 0.000 0.230 129 G C 0.724 175.636 174.900 0.020 0.000 1.386 129 G CA -0.316 44.793 45.100 0.014 0.000 0.875 129 G HN 0.695 nan 8.290 nan 0.000 0.557 130 G N -2.440 106.368 108.800 0.013 0.000 2.176 130 G HA2 0.024 3.969 3.960 -0.025 0.000 0.253 130 G HA3 0.024 3.969 3.960 -0.025 0.000 0.253 130 G C 0.652 175.563 174.900 0.018 0.000 0.979 130 G CA 1.152 46.259 45.100 0.012 0.000 0.641 130 G HN 2.191 nan 8.290 nan 0.000 0.530 131 S N 2.064 117.785 115.700 0.034 0.000 2.565 131 S HA 0.523 4.978 4.470 -0.025 0.000 0.276 131 S C -2.359 172.244 174.600 0.004 0.000 1.326 131 S CA -0.918 57.312 58.200 0.050 0.000 1.045 131 S CB 1.599 64.855 63.200 0.093 0.000 0.918 131 S HN 0.227 nan 8.310 nan 0.000 0.505 132 P HA 0.279 nan 4.420 nan 0.000 0.276 132 P C 0.067 177.342 177.300 -0.041 0.000 1.253 132 P CA -0.096 62.889 63.100 -0.192 0.000 0.766 132 P CB 0.281 31.617 31.700 -0.605 0.000 0.845 133 I N 2.033 122.577 120.570 -0.042 0.000 2.852 133 I HA 0.050 4.205 4.170 -0.025 0.000 0.264 133 I C 1.128 177.290 176.117 0.075 0.000 1.179 133 I CA 0.935 62.263 61.300 0.046 0.000 1.480 133 I CB 0.186 38.191 38.000 0.009 0.000 1.111 133 I HN 0.286 nan 8.210 nan 0.000 0.441 134 K N -0.019 120.323 120.400 -0.096 0.000 2.550 134 K HA 0.331 4.636 4.320 -0.025 0.000 0.252 134 K C -1.842 174.605 176.600 -0.254 0.000 0.943 134 K CA -0.559 55.660 56.287 -0.115 0.000 0.806 134 K CB 1.973 34.452 32.500 -0.034 0.000 1.289 134 K HN -0.260 nan 8.250 nan 0.000 0.435 135 Y N 0.990 121.204 120.300 -0.142 0.000 2.496 135 Y HA 0.376 4.911 4.550 -0.026 0.000 0.331 135 Y C 0.756 176.588 175.900 -0.113 0.000 1.140 135 Y CA -0.547 57.458 58.100 -0.158 0.000 1.166 135 Y CB 1.335 39.632 38.460 -0.271 0.000 1.249 135 Y HN 0.513 nan 8.280 nan 0.000 0.479 136 N N 0.522 119.289 118.700 0.111 0.000 2.476 136 N HA 0.121 4.845 4.740 -0.025 0.000 0.276 136 N C 0.814 176.328 175.510 0.006 0.000 1.204 136 N CA -0.429 52.642 53.050 0.036 0.000 0.974 136 N CB 1.296 39.796 38.487 0.021 0.000 1.204 136 N HN 0.467 nan 8.380 nan 0.000 0.543 137 K N 0.836 121.225 120.400 -0.018 0.000 2.160 137 K HA -0.155 4.150 4.320 -0.025 0.000 0.206 137 K C 0.679 177.246 176.600 -0.056 0.000 1.047 137 K CA 1.448 57.709 56.287 -0.042 0.000 0.930 137 K CB -0.297 32.183 32.500 -0.034 0.000 0.720 137 K HN 0.609 nan 8.250 nan 0.000 0.450 138 D N -1.934 118.443 120.400 -0.039 0.000 2.336 138 D HA 0.062 4.687 4.640 -0.025 0.000 0.229 138 D C 0.981 177.245 176.300 -0.060 0.000 1.061 138 D CA 0.781 54.754 54.000 -0.045 0.000 0.875 138 D CB -0.170 40.614 40.800 -0.026 0.000 0.904 138 D HN 0.266 nan 8.370 nan 0.000 0.525 139 G N 0.178 108.932 108.800 -0.077 0.000 2.176 139 G HA2 -0.282 3.663 3.960 -0.025 0.000 0.253 139 G HA3 -0.282 3.663 3.960 -0.025 0.000 0.253 139 G C 0.386 175.315 174.900 0.047 0.000 0.979 139 G CA 0.389 45.412 45.100 -0.128 0.000 0.641 139 G HN 0.787 nan 8.290 nan 0.000 0.530 140 S N -0.424 115.321 115.700 0.075 0.000 2.614 140 S HA 0.696 5.151 4.470 -0.025 0.000 0.265 140 S C 0.401 175.096 174.600 0.159 0.000 1.303 140 S CA -0.683 57.575 58.200 0.097 0.000 1.000 140 S CB 1.700 64.924 63.200 0.040 0.000 0.935 140 S HN 0.528 nan 8.310 nan 0.000 0.551 141 I N 2.080 122.699 120.570 0.081 0.000 2.322 141 I HA 0.268 4.423 4.170 -0.025 0.000 0.292 141 I C 1.174 177.266 176.117 -0.041 0.000 1.060 141 I CA -0.382 60.897 61.300 -0.035 0.000 1.309 141 I CB 0.931 38.892 38.000 -0.065 0.000 1.415 141 I HN 0.940 nan 8.210 nan 0.000 0.492 142 A N 7.792 130.576 122.820 -0.061 0.000 1.943 142 A HA 0.338 4.643 4.320 -0.025 0.000 0.213 142 A C 0.873 178.429 177.584 -0.046 0.000 1.181 142 A CA 0.860 52.875 52.037 -0.036 0.000 0.653 142 A CB 0.170 19.157 19.000 -0.022 0.000 0.833 142 A HN 0.611 nan 8.150 nan 0.000 0.451 143 I N -0.572 119.954 120.570 -0.074 0.000 2.534 143 I HA 0.555 4.710 4.170 -0.025 0.000 0.288 143 I C -0.370 175.703 176.117 -0.073 0.000 1.077 143 I CA -0.669 60.598 61.300 -0.054 0.000 1.051 143 I CB 2.096 40.075 38.000 -0.035 0.000 1.234 143 I HN 0.139 nan 8.210 nan 0.000 0.425 144 A N 3.983 126.774 122.820 -0.048 0.000 2.340 144 A HA 0.751 5.056 4.320 -0.025 0.000 0.331 144 A C 0.133 177.705 177.584 -0.019 0.000 1.140 144 A CA -0.548 51.465 52.037 -0.041 0.000 0.801 144 A CB 1.263 20.245 19.000 -0.031 0.000 1.234 144 A HN 0.784 nan 8.150 nan 0.000 0.469 145 S N 2.116 117.811 115.700 -0.009 0.000 2.572 145 S HA 0.303 4.758 4.470 -0.025 0.000 0.279 145 S C -0.071 174.529 174.600 -0.000 0.000 1.341 145 S CA -0.435 57.764 58.200 -0.001 0.000 1.043 145 S CB 0.374 63.580 63.200 0.010 0.000 0.887 145 S HN 0.539 nan 8.310 nan 0.000 0.516 146 K N 2.486 122.885 120.400 -0.002 0.000 2.185 146 K HA 0.435 4.739 4.320 -0.025 0.000 0.271 146 K C -2.249 174.352 176.600 0.001 0.000 1.013 146 K CA -2.178 54.108 56.287 -0.001 0.000 0.943 146 K CB 0.108 32.605 32.500 -0.004 0.000 0.998 146 K HN 0.535 nan 8.250 nan 0.000 0.468 147 P HA 0.217 nan 4.420 nan 0.000 0.274 147 P C -0.409 176.897 177.300 0.011 0.000 1.256 147 P CA -0.429 62.676 63.100 0.008 0.000 0.795 147 P CB 0.724 32.430 31.700 0.011 0.000 1.038 148 R N 0.527 121.039 120.500 0.020 0.000 2.604 148 R HA 0.329 4.654 4.340 -0.025 0.000 0.287 148 R C 0.347 176.684 176.300 0.062 0.000 0.970 148 R CA -0.869 55.246 56.100 0.025 0.000 0.946 148 R CB 0.937 31.252 30.300 0.024 0.000 1.127 148 R HN 0.589 nan 8.270 nan 0.000 0.473 149 E N 1.360 121.598 120.200 0.063 0.000 2.383 149 E HA 0.178 4.513 4.350 -0.025 0.000 0.264 149 E C -0.866 175.848 176.600 0.189 0.000 1.050 149 E CA -0.309 56.153 56.400 0.104 0.000 0.896 149 E CB 0.984 30.731 29.700 0.079 0.000 0.982 149 E HN 0.121 nan 8.360 nan 0.000 0.424 150 V N 4.261 124.305 119.914 0.216 0.000 2.628 150 V HA 0.544 4.648 4.120 -0.025 0.000 0.306 150 V C -0.191 176.035 176.094 0.221 0.000 1.045 150 V CA -0.576 61.893 62.300 0.282 0.000 0.905 150 V CB 1.818 33.830 31.823 0.314 0.000 0.997 150 V HN 0.736 nan 8.190 nan 0.000 0.436 151 R N 2.328 122.949 120.500 0.201 0.000 2.668 151 R HA 0.499 4.824 4.340 -0.025 0.000 0.272 151 R C -1.104 175.072 176.300 -0.206 0.000 1.019 151 R CA -0.634 55.416 56.100 -0.085 0.000 0.894 151 R CB 2.125 32.249 30.300 -0.294 0.000 1.228 151 R HN 0.813 nan 8.270 nan 0.000 0.460 152 E N 3.092 123.042 120.200 -0.417 0.000 2.197 152 E HA 0.334 4.669 4.350 -0.025 0.000 0.281 152 E C -1.534 174.691 176.600 -0.625 0.000 0.995 152 E CA -0.443 55.700 56.400 -0.428 0.000 0.808 152 E CB 0.749 30.186 29.700 -0.439 0.000 1.093 152 E HN 0.336 nan 8.360 nan 0.000 0.394 153 F N 3.159 123.097 119.950 -0.019 0.000 2.547 153 F HA 0.292 4.804 4.527 -0.025 0.000 0.316 153 F C 0.114 175.930 175.800 0.027 0.000 1.121 153 F CA -1.055 56.904 58.000 -0.068 0.000 0.911 153 F CB 1.671 40.518 39.000 -0.255 0.000 1.179 153 F HN 0.482 nan 8.300 nan 0.000 0.443 154 N N 2.119 120.897 118.700 0.129 0.000 2.716 154 N HA -0.219 4.506 4.740 -0.025 0.000 0.250 154 N C 1.097 176.633 175.510 0.044 0.000 1.033 154 N CA 1.214 54.313 53.050 0.083 0.000 0.727 154 N CB -1.085 37.469 38.487 0.112 0.000 0.950 154 N HN 1.208 nan 8.380 nan 0.000 0.541 155 G N -0.866 107.915 108.800 -0.031 0.000 2.184 155 G HA2 -0.373 3.572 3.960 -0.025 0.000 0.264 155 G HA3 -0.373 3.572 3.960 -0.025 0.000 0.264 155 G C -0.115 174.695 174.900 -0.150 0.000 0.975 155 G CA 1.094 46.142 45.100 -0.086 0.000 0.642 155 G HN 0.761 nan 8.290 nan 0.000 0.536 156 Q N -0.162 119.570 119.800 -0.113 0.000 2.359 156 Q HA 0.584 4.909 4.340 -0.025 0.000 0.275 156 Q C -0.651 175.037 176.000 -0.521 0.000 1.082 156 Q CA -0.976 54.656 55.803 -0.285 0.000 0.849 156 Q CB 1.183 29.773 28.738 -0.246 0.000 1.377 156 Q HN 0.494 nan 8.270 nan 0.000 0.452 157 H N 1.654 120.332 119.070 -0.653 0.000 2.473 157 H HA 0.388 4.929 4.556 -0.026 0.000 0.327 157 H C -1.029 173.797 175.328 -0.836 0.000 1.105 157 H CA -0.034 55.564 56.048 -0.750 0.000 1.280 157 H CB 0.597 29.454 29.762 -1.507 0.000 1.450 157 H HN 0.416 nan 8.280 nan 0.000 0.492 158 F N 1.621 121.565 119.950 -0.011 0.000 2.603 158 F HA 0.397 4.909 4.527 -0.026 0.000 0.317 158 F C 0.435 176.432 175.800 0.328 0.000 1.066 158 F CA -1.118 56.998 58.000 0.193 0.000 0.941 158 F CB 1.644 40.817 39.000 0.288 0.000 1.291 158 F HN 0.359 nan 8.300 nan 0.000 0.472 159 I N 0.509 121.390 120.570 0.518 0.000 2.648 159 I HA 0.665 4.820 4.170 -0.025 0.000 0.304 159 I C -1.289 174.951 176.117 0.206 0.000 1.009 159 I CA -1.192 60.326 61.300 0.364 0.000 1.114 159 I CB 1.917 40.053 38.000 0.225 0.000 1.293 159 I HN 0.443 nan 8.210 nan 0.000 0.449 160 L N 4.279 125.492 121.223 -0.017 0.000 2.281 160 L HA 0.442 4.767 4.340 -0.025 0.000 0.285 160 L C -0.323 176.301 176.870 -0.410 0.000 1.074 160 L CA 0.594 55.140 54.840 -0.489 0.000 0.817 160 L CB 0.256 42.069 42.059 -0.410 0.000 1.168 160 L HN 0.591 nan 8.230 nan 0.000 0.434 161 E N 4.277 124.071 120.200 -0.677 0.000 2.227 161 E HA 0.415 4.750 4.350 -0.025 0.000 0.268 161 E C -1.010 175.262 176.600 -0.547 0.000 0.907 161 E CA -0.600 55.461 56.400 -0.566 0.000 0.786 161 E CB 1.924 31.243 29.700 -0.635 0.000 1.191 161 E HN 0.599 nan 8.360 nan 0.000 0.411 162 E N 0.465 120.520 120.200 -0.241 0.000 2.212 162 E HA 0.554 4.889 4.350 -0.025 0.000 0.270 162 E C -0.506 176.111 176.600 0.028 0.000 0.956 162 E CA -0.897 55.437 56.400 -0.110 0.000 0.825 162 E CB 1.780 31.437 29.700 -0.071 0.000 1.167 162 E HN 0.539 nan 8.360 nan 0.000 0.400 163 A N 2.371 125.241 122.820 0.084 0.000 2.507 163 A HA 0.176 4.481 4.320 -0.025 0.000 0.235 163 A C -0.137 177.492 177.584 0.076 0.000 1.070 163 A CA 0.350 52.459 52.037 0.119 0.000 0.768 163 A CB 0.044 19.099 19.000 0.091 0.000 1.011 163 A HN 0.542 nan 8.150 nan 0.000 0.502 164 I N 1.378 121.995 120.570 0.079 0.000 2.433 164 I HA 0.424 4.579 4.170 -0.025 0.000 0.292 164 I C 0.334 176.482 176.117 0.050 0.000 1.001 164 I CA -0.215 61.119 61.300 0.057 0.000 1.119 164 I CB 1.625 39.661 38.000 0.059 0.000 1.289 164 I HN 0.684 nan 8.210 nan 0.000 0.438 165 R N 3.275 123.800 120.500 0.042 0.000 2.744 165 R HA 0.713 5.038 4.340 -0.025 0.000 0.279 165 R C -0.460 175.864 176.300 0.040 0.000 0.977 165 R CA -0.818 55.306 56.100 0.039 0.000 0.906 165 R CB 2.529 32.849 30.300 0.033 0.000 1.197 165 R HN 0.782 nan 8.270 nan 0.000 0.463 166 G N -0.242 108.584 108.800 0.043 0.000 2.568 166 G HA2 0.177 4.121 3.960 -0.025 0.000 0.313 166 G HA3 0.177 4.121 3.960 -0.025 0.000 0.313 166 G C -0.147 174.777 174.900 0.041 0.000 1.227 166 G CA -0.419 44.715 45.100 0.057 0.000 0.979 166 G HN 0.512 nan 8.290 nan 0.000 0.486 167 D N -0.875 119.576 120.400 0.085 0.000 2.162 167 D HA 0.078 4.702 4.640 -0.025 0.000 0.203 167 D C -0.150 176.049 176.300 -0.169 0.000 0.967 167 D CA 1.294 55.315 54.000 0.034 0.000 0.840 167 D CB 0.242 41.182 40.800 0.235 0.000 0.972 167 D HN 0.155 nan 8.370 nan 0.000 0.482 168 F N -0.536 119.436 119.950 0.037 0.000 2.629 168 F HA 0.572 5.084 4.527 -0.026 0.000 0.316 168 F C -0.454 175.369 175.800 0.038 0.000 1.081 168 F CA -1.243 56.782 58.000 0.042 0.000 0.954 168 F CB 1.893 40.906 39.000 0.022 0.000 1.337 168 F HN -0.300 nan 8.300 nan 0.000 0.474 169 A N 1.951 124.906 122.820 0.225 0.000 2.393 169 A HA 0.857 5.161 4.320 -0.025 0.000 0.306 169 A C -1.771 175.898 177.584 0.143 0.000 1.050 169 A CA -0.618 51.504 52.037 0.142 0.000 0.724 169 A CB 1.186 20.239 19.000 0.089 0.000 1.248 169 A HN 0.709 nan 8.150 nan 0.000 0.424 170 L N 2.902 124.187 121.223 0.104 0.000 2.294 170 L HA 0.547 4.872 4.340 -0.025 0.000 0.283 170 L C -0.891 176.031 176.870 0.087 0.000 1.015 170 L CA -0.753 54.135 54.840 0.080 0.000 0.831 170 L CB 1.333 43.418 42.059 0.043 0.000 1.217 170 L HN 0.417 nan 8.230 nan 0.000 0.420 171 V N 2.857 122.833 119.914 0.104 0.000 2.555 171 V HA 0.425 4.530 4.120 -0.025 0.000 0.302 171 V C -0.126 176.071 176.094 0.172 0.000 1.038 171 V CA -0.780 61.606 62.300 0.144 0.000 0.887 171 V CB 2.336 34.257 31.823 0.164 0.000 0.991 171 V HN 0.552 nan 8.190 nan 0.000 0.434 172 K N 3.777 124.302 120.400 0.209 0.000 2.213 172 K HA 0.840 5.145 4.320 -0.025 0.000 0.270 172 K C -0.548 176.236 176.600 0.306 0.000 1.002 172 K CA 0.006 56.425 56.287 0.220 0.000 0.868 172 K CB 1.352 33.968 32.500 0.194 0.000 1.093 172 K HN 0.882 nan 8.250 nan 0.000 0.454 173 A N 3.349 126.290 122.820 0.202 0.000 2.530 173 A HA 0.511 4.816 4.320 -0.025 0.000 0.288 173 A C -0.515 177.130 177.584 0.103 0.000 1.172 173 A CA -0.776 51.319 52.037 0.097 0.000 0.733 173 A CB 0.213 19.070 19.000 -0.239 0.000 1.320 173 A HN 0.890 nan 8.150 nan 0.000 0.419 174 W N 0.780 121.981 121.300 -0.166 0.000 2.519 174 W HA 0.295 4.941 4.660 -0.024 0.000 0.313 174 W C 0.045 176.519 176.519 -0.076 0.000 1.156 174 W CA 1.191 58.465 57.345 -0.118 0.000 1.394 174 W CB -0.053 29.355 29.460 -0.087 0.000 1.154 174 W HN 0.546 nan 8.180 nan 0.000 0.498 175 K N -0.539 119.791 120.400 -0.117 0.000 2.435 175 K HA 0.637 4.942 4.320 -0.025 0.000 0.251 175 K C -1.227 175.400 176.600 0.045 0.000 0.954 175 K CA -0.733 55.468 56.287 -0.144 0.000 0.820 175 K CB 2.258 34.581 32.500 -0.294 0.000 1.292 175 K HN -0.132 nan 8.250 nan 0.000 0.436 176 A N 1.562 124.443 122.820 0.101 0.000 2.401 176 A HA 0.525 4.830 4.320 -0.025 0.000 0.310 176 A C -1.226 176.431 177.584 0.121 0.000 1.075 176 A CA -0.767 51.376 52.037 0.176 0.000 0.746 176 A CB 0.966 20.044 19.000 0.130 0.000 1.277 176 A HN 0.812 nan 8.150 nan 0.000 0.425 177 D N 0.306 120.778 120.400 0.121 0.000 2.466 177 D HA 0.201 4.826 4.640 -0.025 0.000 0.262 177 D C 0.579 176.929 176.300 0.084 0.000 1.177 177 D CA -0.396 53.527 54.000 -0.129 0.000 1.035 177 D CB 0.357 40.950 40.800 -0.345 0.000 1.105 177 D HN 0.456 nan 8.370 nan 0.000 0.551 178 Q N -0.925 118.853 119.800 -0.036 0.000 2.500 178 Q HA 0.023 4.348 4.340 -0.025 0.000 0.213 178 Q C 1.256 177.297 176.000 0.067 0.000 0.974 178 Q CA 0.933 56.682 55.803 -0.091 0.000 0.918 178 Q CB -0.025 28.579 28.738 -0.224 0.000 0.980 178 Q HN 0.613 nan 8.270 nan 0.000 0.505 179 A N -0.253 122.653 122.820 0.144 0.000 2.195 179 A HA 0.345 4.650 4.320 -0.025 0.000 0.210 179 A C 1.497 179.242 177.584 0.268 0.000 1.165 179 A CA 0.807 52.947 52.037 0.172 0.000 0.806 179 A CB 0.231 19.285 19.000 0.090 0.000 0.847 179 A HN 0.406 nan 8.150 nan 0.000 0.482 180 G N -0.676 108.324 108.800 0.334 0.000 2.179 180 G HA2 -0.199 3.746 3.960 -0.025 0.000 0.220 180 G HA3 -0.199 3.746 3.960 -0.025 0.000 0.220 180 G C -0.147 174.816 174.900 0.105 0.000 0.990 180 G CA -0.053 45.139 45.100 0.154 0.000 0.646 180 G HN 0.417 nan 8.290 nan 0.000 0.517 181 N N 0.056 118.853 118.700 0.161 0.000 2.508 181 N HA 0.487 5.212 4.740 -0.025 0.000 0.264 181 N C -0.111 175.483 175.510 0.140 0.000 1.216 181 N CA 0.333 53.473 53.050 0.151 0.000 0.943 181 N CB 2.000 40.634 38.487 0.245 0.000 1.113 181 N HN 0.170 nan 8.380 nan 0.000 0.447 182 V N 0.422 120.288 119.914 -0.081 0.000 2.962 182 V HA 0.554 4.658 4.120 -0.025 0.000 0.313 182 V C -0.005 175.711 176.094 -0.630 0.000 1.099 182 V CA -0.656 61.481 62.300 -0.271 0.000 0.971 182 V CB 2.285 33.958 31.823 -0.249 0.000 1.028 182 V HN 0.903 nan 8.190 nan 0.000 0.430 183 T N 0.128 114.219 114.554 -0.773 0.000 2.906 183 T HA 0.829 5.163 4.350 -0.025 0.000 0.295 183 T C -1.142 173.249 174.700 -0.514 0.000 1.075 183 T CA -0.562 61.061 62.100 -0.796 0.000 1.005 183 T CB 1.851 70.145 68.868 -0.956 0.000 1.136 183 T HN 0.180 nan 8.240 nan 0.000 0.498 184 F N -0.025 120.219 119.950 0.491 0.000 2.546 184 F HA 0.696 5.208 4.527 -0.026 0.000 0.320 184 F C 0.518 176.475 175.800 0.261 0.000 1.076 184 F CA -1.225 56.964 58.000 0.315 0.000 0.928 184 F CB 2.123 41.210 39.000 0.145 0.000 1.189 184 F HN 0.545 nan 8.300 nan 0.000 0.465 185 R N 2.692 123.270 120.500 0.130 0.000 2.294 185 R HA 0.410 4.734 4.340 -0.025 0.000 0.319 185 R C 0.059 176.060 176.300 -0.499 0.000 0.984 185 R CA -0.265 55.614 56.100 -0.369 0.000 0.861 185 R CB 0.684 30.348 30.300 -1.059 0.000 1.104 185 R HN 0.804 nan 8.270 nan 0.000 0.451 186 K N 0.625 120.563 120.400 -0.771 0.000 1.931 186 K HA -0.307 3.998 4.320 -0.025 0.000 0.126 186 K C 0.734 176.619 176.600 -1.193 0.000 1.372 186 K CA 1.960 57.283 56.287 -1.607 0.000 0.483 186 K CB -1.402 30.502 32.500 -0.995 0.000 0.562 186 K HN 0.760 nan 8.250 nan 0.000 0.923 187 S N 0.444 115.707 115.700 -0.729 0.000 2.631 187 S HA 0.248 4.702 4.470 -0.025 0.000 0.217 187 S C 1.484 175.959 174.600 -0.208 0.000 0.958 187 S CA 0.562 58.561 58.200 -0.335 0.000 0.920 187 S CB 0.500 63.598 63.200 -0.171 0.000 0.776 187 S HN 0.592 nan 8.310 nan 0.000 0.517 188 A N 1.738 124.441 122.820 -0.194 0.000 2.209 188 A HA 0.149 4.453 4.320 -0.025 0.000 0.212 188 A C 2.157 179.722 177.584 -0.032 0.000 1.158 188 A CA 0.599 52.600 52.037 -0.060 0.000 0.742 188 A CB -0.566 18.405 19.000 -0.048 0.000 0.790 188 A HN 0.588 nan 8.150 nan 0.000 0.472 189 R N 0.819 121.244 120.500 -0.125 0.000 2.070 189 R HA -0.228 4.097 4.340 -0.025 0.000 0.232 189 R C 1.756 177.853 176.300 -0.338 0.000 1.138 189 R CA 1.932 57.853 56.100 -0.300 0.000 0.936 189 R CB -0.524 29.599 30.300 -0.295 0.000 0.839 189 R HN 0.717 nan 8.270 nan 0.000 0.429 190 N N -0.760 117.795 118.700 -0.243 0.000 1.109 190 N HA -0.356 4.369 4.740 -0.025 0.000 0.142 190 N C 0.957 176.318 175.510 -0.248 0.000 0.434 190 N CA 2.693 55.630 53.050 -0.189 0.000 0.976 190 N CB -1.505 37.014 38.487 0.054 0.000 1.494 190 N HN 0.249 nan 8.380 nan 0.000 0.474 191 F N 0.103 120.020 119.950 -0.055 0.000 2.710 191 F HA 0.245 4.757 4.527 -0.025 0.000 0.298 191 F C 2.182 177.911 175.800 -0.118 0.000 1.137 191 F CA 0.149 58.117 58.000 -0.054 0.000 1.444 191 F CB -0.263 38.749 39.000 0.019 0.000 1.111 191 F HN 0.258 nan 8.300 nan 0.000 0.580 192 N N 0.698 119.376 118.700 -0.038 0.000 2.104 192 N HA -0.205 4.520 4.740 -0.025 0.000 0.190 192 N C 2.100 177.468 175.510 -0.236 0.000 1.024 192 N CA 1.243 54.238 53.050 -0.092 0.000 0.853 192 N CB -0.543 37.896 38.487 -0.081 0.000 1.008 192 N HN 0.338 nan 8.380 nan 0.000 0.424 193 L N 2.070 122.949 121.223 -0.573 0.000 1.976 193 L HA -0.076 4.249 4.340 -0.025 0.000 0.209 193 L C -0.734 176.001 176.870 -0.225 0.000 1.071 193 L CA 1.658 56.218 54.840 -0.468 0.000 0.746 193 L CB -1.215 40.521 42.059 -0.539 0.000 0.890 193 L HN 0.115 nan 8.230 nan 0.000 0.432 194 P HA -0.190 nan 4.420 nan 0.000 0.219 194 P C 1.770 179.009 177.300 -0.100 0.000 1.150 194 P CA 1.741 64.746 63.100 -0.157 0.000 0.814 194 P CB -0.129 31.488 31.700 -0.137 0.000 0.787 195 M N -1.072 118.512 119.600 -0.027 0.000 2.279 195 M HA -0.118 4.346 4.480 -0.025 0.000 0.264 195 M C 2.322 178.613 176.300 -0.016 0.000 1.062 195 M CA 1.137 56.447 55.300 0.017 0.000 1.099 195 M CB -0.966 31.677 32.600 0.072 0.000 1.394 195 M HN 0.018 nan 8.290 nan 0.000 0.426 196 C N 0.907 120.177 119.300 -0.050 0.000 2.437 196 C HA -0.094 4.351 4.460 -0.025 0.000 0.283 196 C C 2.207 177.108 174.990 -0.149 0.000 1.424 196 C CA 1.056 60.039 59.018 -0.058 0.000 1.782 196 C CB -0.862 26.864 27.740 -0.024 0.000 1.833 196 C HN 0.448 nan 8.230 nan 0.000 0.532 197 K N -0.303 119.947 120.400 -0.250 0.000 2.355 197 K HA 0.239 4.543 4.320 -0.025 0.000 0.198 197 K C 1.200 177.767 176.600 -0.055 0.000 1.039 197 K CA 0.583 56.688 56.287 -0.303 0.000 1.075 197 K CB 0.272 32.417 32.500 -0.593 0.000 0.870 197 K HN 0.290 nan 8.250 nan 0.000 0.540 198 A N 1.121 123.923 122.820 -0.031 0.000 2.500 198 A HA 0.539 4.844 4.320 -0.025 0.000 0.267 198 A C 0.217 177.824 177.584 0.037 0.000 1.290 198 A CA -0.241 51.804 52.037 0.014 0.000 0.928 198 A CB 0.269 19.275 19.000 0.010 0.000 1.066 198 A HN 0.181 nan 8.150 nan 0.000 0.516 199 A N -0.846 122.005 122.820 0.052 0.000 2.469 199 A HA 0.642 4.947 4.320 -0.025 0.000 0.299 199 A C 0.588 178.199 177.584 0.045 0.000 1.098 199 A CA -0.026 52.034 52.037 0.038 0.000 0.737 199 A CB 0.941 19.964 19.000 0.038 0.000 1.312 199 A HN 0.099 nan 8.150 nan 0.000 0.414 200 E N 0.575 120.743 120.200 -0.053 0.000 2.085 200 E HA -0.059 4.276 4.350 -0.025 0.000 0.194 200 E C 0.234 176.741 176.600 -0.155 0.000 0.994 200 E CA 2.255 58.586 56.400 -0.115 0.000 0.801 200 E CB 0.071 29.654 29.700 -0.194 0.000 0.743 200 E HN 0.572 nan 8.360 nan 0.000 0.453 201 T N 0.448 114.850 114.554 -0.253 0.000 2.890 201 T HA 0.388 4.723 4.350 -0.025 0.000 0.295 201 T C -1.041 173.702 174.700 0.072 0.000 0.993 201 T CA -0.653 61.377 62.100 -0.117 0.000 0.979 201 T CB 1.720 70.232 68.868 -0.593 0.000 0.967 201 T HN -0.122 nan 8.240 nan 0.000 0.441 202 T N 2.982 117.713 114.554 0.295 0.000 2.795 202 T HA 0.579 4.914 4.350 -0.025 0.000 0.282 202 T C -0.189 174.561 174.700 0.083 0.000 0.980 202 T CA -0.532 61.615 62.100 0.078 0.000 1.012 202 T CB 1.039 69.825 68.868 -0.137 0.000 0.936 202 T HN 0.339 nan 8.240 nan 0.000 0.457 203 V N 3.959 123.930 119.914 0.095 0.000 2.444 203 V HA 0.502 4.607 4.120 -0.025 0.000 0.294 203 V C -0.318 175.804 176.094 0.047 0.000 1.022 203 V CA -0.789 61.546 62.300 0.058 0.000 0.850 203 V CB 1.717 33.577 31.823 0.061 0.000 0.992 203 V HN 0.686 nan 8.190 nan 0.000 0.426 204 V N 4.928 124.857 119.914 0.025 0.000 2.495 204 V HA 0.492 4.597 4.120 -0.025 0.000 0.298 204 V C -0.078 176.051 176.094 0.057 0.000 1.031 204 V CA -0.670 61.660 62.300 0.050 0.000 0.871 204 V CB 1.957 33.797 31.823 0.029 0.000 0.988 204 V HN 1.056 nan 8.190 nan 0.000 0.432 205 E N 4.404 124.667 120.200 0.104 0.000 2.179 205 E HA 0.734 5.069 4.350 -0.025 0.000 0.275 205 E C -0.797 175.913 176.600 0.183 0.000 0.945 205 E CA -0.742 55.748 56.400 0.150 0.000 0.792 205 E CB 2.218 32.028 29.700 0.184 0.000 1.125 205 E HN 0.493 nan 8.360 nan 0.000 0.397 206 V N -0.076 119.951 119.914 0.189 0.000 3.046 206 V HA 0.355 4.460 4.120 -0.025 0.000 0.316 206 V C 0.495 176.706 176.094 0.195 0.000 1.104 206 V CA -0.814 61.574 62.300 0.147 0.000 1.006 206 V CB 1.728 33.604 31.823 0.087 0.000 1.058 206 V HN 0.852 nan 8.190 nan 0.000 0.440 207 E N 0.622 120.865 120.200 0.073 0.000 2.299 207 E HA 0.114 4.449 4.350 -0.025 0.000 0.193 207 E C 0.432 177.117 176.600 0.142 0.000 0.998 207 E CA 1.019 57.458 56.400 0.065 0.000 0.851 207 E CB 0.462 30.132 29.700 -0.050 0.000 0.795 207 E HN 0.850 nan 8.360 nan 0.000 0.492 208 E N 0.265 120.516 120.200 0.084 0.000 2.363 208 E HA 0.315 4.650 4.350 -0.025 0.000 0.281 208 E C -1.571 175.034 176.600 0.009 0.000 0.953 208 E CA -0.466 55.958 56.400 0.041 0.000 0.778 208 E CB 1.383 31.080 29.700 -0.004 0.000 1.220 208 E HN -0.083 nan 8.360 nan 0.000 0.431 209 I N 4.155 124.736 120.570 0.018 0.000 2.354 209 I HA 0.406 4.561 4.170 -0.025 0.000 0.292 209 I C -0.125 175.945 176.117 -0.078 0.000 0.989 209 I CA -0.889 60.419 61.300 0.014 0.000 1.188 209 I CB 1.591 39.640 38.000 0.081 0.000 1.342 209 I HN 0.450 nan 8.210 nan 0.000 0.457 210 V N 1.701 121.518 119.914 -0.162 0.000 3.113 210 V HA 0.578 4.683 4.120 -0.025 0.000 0.316 210 V C -0.463 175.475 176.094 -0.260 0.000 1.125 210 V CA -1.019 61.135 62.300 -0.243 0.000 1.026 210 V CB 1.725 33.316 31.823 -0.387 0.000 1.080 210 V HN 0.458 nan 8.190 nan 0.000 0.444 211 D N 1.058 121.312 120.400 -0.243 0.000 2.399 211 D HA 0.334 4.959 4.640 -0.025 0.000 0.241 211 D C 0.379 176.527 176.300 -0.254 0.000 1.133 211 D CA 0.278 54.152 54.000 -0.210 0.000 0.890 211 D CB 0.847 41.548 40.800 -0.165 0.000 1.201 211 D HN 0.570 nan 8.370 nan 0.000 0.432 212 I N 0.868 121.327 120.570 -0.185 0.000 2.775 212 I HA 0.036 4.191 4.170 -0.025 0.000 0.290 212 I C 1.698 177.723 176.117 -0.154 0.000 1.203 212 I CA 0.900 62.108 61.300 -0.154 0.000 1.433 212 I CB 0.264 38.210 38.000 -0.090 0.000 1.354 212 I HN 0.716 nan 8.210 nan 0.000 0.579 213 G N 3.481 112.193 108.800 -0.148 0.000 2.175 213 G HA2 -0.280 3.665 3.960 -0.025 0.000 0.244 213 G HA3 -0.280 3.665 3.960 -0.025 0.000 0.244 213 G C 0.923 175.728 174.900 -0.158 0.000 0.982 213 G CA 0.405 45.438 45.100 -0.112 0.000 0.641 213 G HN 0.581 nan 8.290 nan 0.000 0.527 214 S N -0.280 115.233 115.700 -0.311 0.000 2.436 214 S HA 0.333 4.787 4.470 -0.025 0.000 0.228 214 S C 0.638 175.097 174.600 -0.236 0.000 1.014 214 S CA 0.551 58.544 58.200 -0.345 0.000 0.950 214 S CB -0.043 62.815 63.200 -0.571 0.000 0.784 214 S HN 0.376 nan 8.310 nan 0.000 0.504 215 F N 1.502 121.394 119.950 -0.097 0.000 2.397 215 F HA 0.655 5.166 4.527 -0.026 0.000 0.331 215 F C 0.561 176.324 175.800 -0.062 0.000 1.090 215 F CA -2.342 55.598 58.000 -0.100 0.000 1.065 215 F CB 0.342 39.268 39.000 -0.124 0.000 1.184 215 F HN -0.092 nan 8.300 nan 0.000 0.499 216 A N 4.079 127.000 122.820 0.169 0.000 2.401 216 A HA 0.418 4.723 4.320 -0.025 0.000 0.259 216 A C -1.677 175.961 177.584 0.091 0.000 1.103 216 A CA -1.154 50.938 52.037 0.092 0.000 0.789 216 A CB -0.008 19.032 19.000 0.066 0.000 1.035 216 A HN 0.586 nan 8.150 nan 0.000 0.491 217 P HA -0.167 nan 4.420 nan 0.000 0.217 217 P C 0.690 178.016 177.300 0.044 0.000 1.148 217 P CA 1.434 64.569 63.100 0.058 0.000 0.828 217 P CB 0.205 31.930 31.700 0.042 0.000 0.783 218 E N -0.756 119.469 120.200 0.041 0.000 2.347 218 E HA -0.093 4.242 4.350 -0.025 0.000 0.196 218 E C 0.717 177.345 176.600 0.047 0.000 1.008 218 E CA 0.867 57.292 56.400 0.040 0.000 0.852 218 E CB -0.590 29.133 29.700 0.038 0.000 0.783 218 E HN 0.312 nan 8.360 nan 0.000 0.505 219 D N -0.205 120.213 120.400 0.031 0.000 2.525 219 D HA 0.139 4.764 4.640 -0.025 0.000 0.229 219 D C -0.250 175.943 176.300 -0.179 0.000 1.202 219 D CA -0.059 53.948 54.000 0.011 0.000 0.828 219 D CB 0.264 41.085 40.800 0.034 0.000 1.008 219 D HN 0.171 nan 8.370 nan 0.000 0.493 220 I N 0.841 121.323 120.570 -0.148 0.000 2.352 220 I HA 0.066 4.221 4.170 -0.025 0.000 0.290 220 I C 1.508 177.562 176.117 -0.105 0.000 1.036 220 I CA -0.259 60.855 61.300 -0.309 0.000 1.336 220 I CB 0.875 38.805 38.000 -0.117 0.000 1.407 220 I HN 0.001 nan 8.210 nan 0.000 0.497 221 H N 5.950 124.948 119.070 -0.119 0.000 2.395 221 H HA 0.149 4.690 4.556 -0.025 0.000 0.299 221 H C 0.038 175.456 175.328 0.150 0.000 1.070 221 H CA 0.476 56.568 56.048 0.073 0.000 1.356 221 H CB 0.499 30.407 29.762 0.243 0.000 1.401 221 H HN 0.313 nan 8.280 nan 0.000 0.524 222 I N 1.600 122.290 120.570 0.201 0.000 2.476 222 I HA 0.232 4.387 4.170 -0.025 0.000 0.281 222 I C -2.529 173.693 176.117 0.175 0.000 1.040 222 I CA -2.882 58.567 61.300 0.249 0.000 1.094 222 I CB 1.732 39.903 38.000 0.285 0.000 1.219 222 I HN -0.187 nan 8.210 nan 0.000 0.450 223 P HA 0.088 nan 4.420 nan 0.000 0.269 223 P C 0.797 178.139 177.300 0.069 0.000 1.215 223 P CA -0.206 62.950 63.100 0.093 0.000 0.780 223 P CB 0.574 32.291 31.700 0.029 0.000 0.898 224 K N 2.988 123.409 120.400 0.035 0.000 2.286 224 K HA -0.169 4.136 4.320 -0.025 0.000 0.203 224 K C 1.691 178.282 176.600 -0.014 0.000 1.045 224 K CA 1.461 57.766 56.287 0.030 0.000 0.935 224 K CB -0.893 31.639 32.500 0.052 0.000 0.737 224 K HN 0.344 nan 8.250 nan 0.000 0.460 225 I N 0.669 121.174 120.570 -0.107 0.000 2.423 225 I HA -0.279 3.876 4.170 -0.025 0.000 0.254 225 I C 1.125 177.145 176.117 -0.162 0.000 1.151 225 I CA 1.304 62.498 61.300 -0.177 0.000 1.421 225 I CB 0.060 37.851 38.000 -0.348 0.000 1.079 225 I HN 0.123 nan 8.210 nan 0.000 0.431 226 Y N -0.266 120.011 120.300 -0.039 0.000 2.466 226 Y HA 0.216 4.750 4.550 -0.025 0.000 0.272 226 Y C 0.585 176.246 175.900 -0.397 0.000 1.169 226 Y CA -0.163 57.843 58.100 -0.157 0.000 1.285 226 Y CB -0.077 38.343 38.460 -0.068 0.000 1.078 226 Y HN -0.168 nan 8.280 nan 0.000 0.523 227 V N 0.768 120.607 119.914 -0.125 0.000 2.294 227 V HA 0.123 4.228 4.120 -0.025 0.000 0.272 227 V C 0.192 176.207 176.094 -0.132 0.000 1.027 227 V CA -0.456 61.746 62.300 -0.162 0.000 0.823 227 V CB 0.355 32.143 31.823 -0.058 0.000 1.030 227 V HN 0.435 nan 8.190 nan 0.000 0.457 228 H N 3.104 122.197 119.070 0.037 0.000 2.384 228 H HA 0.265 4.806 4.556 -0.025 0.000 0.300 228 H C 0.684 176.042 175.328 0.049 0.000 1.057 228 H CA 0.412 56.481 56.048 0.034 0.000 1.370 228 H CB 0.400 30.180 29.762 0.030 0.000 1.417 228 H HN 0.416 nan 8.280 nan 0.000 0.527 229 R N 1.105 121.685 120.500 0.133 0.000 2.628 229 R HA 0.401 4.726 4.340 -0.025 0.000 0.288 229 R C -1.726 174.573 176.300 -0.000 0.000 0.980 229 R CA -0.781 55.402 56.100 0.138 0.000 0.891 229 R CB 2.849 33.193 30.300 0.073 0.000 1.188 229 R HN 0.013 nan 8.270 nan 0.000 0.450 230 L N 3.482 124.683 121.223 -0.036 0.000 2.408 230 L HA 0.645 4.970 4.340 -0.025 0.000 0.268 230 L C -1.462 175.427 176.870 0.032 0.000 0.986 230 L CA -0.776 53.979 54.840 -0.141 0.000 0.820 230 L CB 2.072 43.806 42.059 -0.542 0.000 1.303 230 L HN 0.513 nan 8.230 nan 0.000 0.411 231 V N 5.052 125.008 119.914 0.071 0.000 2.888 231 V HA 0.455 4.560 4.120 -0.025 0.000 0.309 231 V C -0.682 175.502 176.094 0.151 0.000 1.114 231 V CA -0.889 61.497 62.300 0.144 0.000 0.940 231 V CB 2.472 34.360 31.823 0.109 0.000 1.021 231 V HN 0.900 nan 8.190 nan 0.000 0.426 232 K N 4.497 125.002 120.400 0.175 0.000 2.312 232 K HA 0.556 4.861 4.320 -0.025 0.000 0.287 232 K C 0.352 177.059 176.600 0.179 0.000 1.062 232 K CA 0.142 56.543 56.287 0.190 0.000 0.934 232 K CB 0.752 33.355 32.500 0.172 0.000 1.027 232 K HN 0.990 nan 8.250 nan 0.000 0.478 233 G N 2.937 111.894 108.800 0.262 0.000 2.353 233 G HA2 -0.101 3.844 3.960 -0.025 0.000 0.239 233 G HA3 -0.101 3.844 3.960 -0.025 0.000 0.239 233 G C 0.471 175.328 174.900 -0.073 0.000 1.295 233 G CA -0.246 44.889 45.100 0.059 0.000 0.884 233 G HN 0.981 nan 8.290 nan 0.000 0.537 234 E N 1.293 121.411 120.200 -0.136 0.000 2.152 234 E HA -0.038 4.296 4.350 -0.025 0.000 0.192 234 E C 0.906 177.413 176.600 -0.154 0.000 0.983 234 E CA 0.741 57.086 56.400 -0.090 0.000 0.818 234 E CB 0.089 29.755 29.700 -0.056 0.000 0.758 234 E HN 0.452 nan 8.360 nan 0.000 0.467 235 K N -0.413 119.782 120.400 -0.342 0.000 2.501 235 K HA 0.228 4.533 4.320 -0.025 0.000 0.252 235 K C -2.101 174.180 176.600 -0.533 0.000 0.934 235 K CA -0.695 55.428 56.287 -0.273 0.000 0.797 235 K CB 1.306 33.735 32.500 -0.118 0.000 1.270 235 K HN -0.099 nan 8.250 nan 0.000 0.431 236 Y N 2.245 122.602 120.300 0.095 0.000 2.332 236 Y HA 0.218 4.754 4.550 -0.025 0.000 0.326 236 Y C 0.454 176.417 175.900 0.104 0.000 0.978 236 Y CA -0.694 57.474 58.100 0.112 0.000 1.205 236 Y CB 2.142 40.661 38.460 0.100 0.000 1.131 236 Y HN 0.719 nan 8.280 nan 0.000 0.462 237 E N 1.902 122.255 120.200 0.255 0.000 2.371 237 E HA -0.041 4.293 4.350 -0.025 0.000 0.194 237 E C 0.085 176.744 176.600 0.098 0.000 1.012 237 E CA 0.277 56.761 56.400 0.140 0.000 0.860 237 E CB 0.120 29.873 29.700 0.089 0.000 0.811 237 E HN 0.550 nan 8.360 nan 0.000 0.502 238 K N 1.235 121.733 120.400 0.162 0.000 3.096 238 K HA -0.168 4.137 4.320 -0.025 0.000 0.266 238 K C -0.581 176.031 176.600 0.021 0.000 1.043 238 K CA 0.155 56.497 56.287 0.092 0.000 0.758 238 K CB -0.840 31.698 32.500 0.062 0.000 1.260 238 K HN 0.055 nan 8.250 nan 0.000 0.481 239 R N 0.522 121.012 120.500 -0.016 0.000 2.570 239 R HA 0.183 4.507 4.340 -0.025 0.000 0.277 239 R C 0.525 176.797 176.300 -0.046 0.000 1.039 239 R CA 0.298 56.310 56.100 -0.145 0.000 1.065 239 R CB 0.255 30.292 30.300 -0.438 0.000 0.964 239 R HN 0.263 nan 8.270 nan 0.000 0.428 240 I N 2.216 122.751 120.570 -0.059 0.000 2.382 240 I HA 0.066 4.220 4.170 -0.025 0.000 0.286 240 I C 1.545 177.645 176.117 -0.027 0.000 1.002 240 I CA -0.243 61.044 61.300 -0.021 0.000 1.135 240 I CB 1.911 39.900 38.000 -0.019 0.000 1.288 240 I HN 0.641 nan 8.210 nan 0.000 0.448 241 E N 5.982 126.182 120.200 0.001 0.000 2.047 241 E HA -0.019 4.316 4.350 -0.025 0.000 0.191 241 E C 0.224 176.822 176.600 -0.003 0.000 0.987 241 E CA 1.143 57.545 56.400 0.004 0.000 0.799 241 E CB 0.477 30.194 29.700 0.029 0.000 0.752 241 E HN 0.478 nan 8.360 nan 0.000 0.449 242 R N 0.662 121.162 120.500 0.001 0.000 2.473 242 R HA 0.275 4.600 4.340 -0.025 0.000 0.303 242 R C -1.466 174.817 176.300 -0.030 0.000 1.002 242 R CA -0.741 55.350 56.100 -0.015 0.000 0.884 242 R CB 1.649 31.945 30.300 -0.007 0.000 1.173 242 R HN 0.040 nan 8.270 nan 0.000 0.464 243 L N 2.763 123.958 121.223 -0.047 0.000 2.295 243 L HA 0.296 4.620 4.340 -0.025 0.000 0.288 243 L C -0.801 176.005 176.870 -0.107 0.000 1.079 243 L CA 0.295 55.101 54.840 -0.057 0.000 0.830 243 L CB 1.029 43.059 42.059 -0.049 0.000 1.200 243 L HN 0.493 nan 8.230 nan 0.000 0.438 244 S N 4.398 120.009 115.700 -0.148 0.000 2.530 244 S HA 0.711 5.165 4.470 -0.025 0.000 0.322 244 S C -0.398 174.049 174.600 -0.253 0.000 1.085 244 S CA -0.661 57.335 58.200 -0.339 0.000 1.096 244 S CB 1.501 64.342 63.200 -0.599 0.000 0.988 244 S HN 0.348 nan 8.310 nan 0.000 0.466 245 V N 3.027 122.822 119.914 -0.199 0.000 2.815 245 V HA 0.518 4.623 4.120 -0.025 0.000 0.314 245 V C 0.625 176.716 176.094 -0.005 0.000 1.064 245 V CA -1.179 61.087 62.300 -0.056 0.000 0.952 245 V CB 1.939 33.740 31.823 -0.037 0.000 1.020 245 V HN 0.830 nan 8.190 nan 0.000 0.439 261 N N -0.486 118.196 118.700 -0.032 0.000 2.216 261 N HA -0.148 4.577 4.740 -0.025 0.000 0.183 261 N C 1.885 177.322 175.510 -0.122 0.000 1.017 261 N CA 1.329 54.344 53.050 -0.058 0.000 0.861 261 N CB 0.279 38.740 38.487 -0.044 0.000 0.986 261 N HN 0.317 nan 8.380 nan 0.000 0.428 262 V N 1.608 121.446 119.914 -0.127 0.000 2.287 262 V HA -0.233 3.872 4.120 -0.025 0.000 0.248 262 V C 2.533 178.537 176.094 -0.150 0.000 1.053 262 V CA 1.957 64.150 62.300 -0.178 0.000 1.027 262 V CB -0.579 31.168 31.823 -0.127 0.000 0.646 262 V HN 0.289 nan 8.190 nan 0.000 0.447 263 R N -0.151 120.297 120.500 -0.086 0.000 2.081 263 R HA -0.210 4.115 4.340 -0.025 0.000 0.235 263 R C 2.465 178.728 176.300 -0.062 0.000 1.131 263 R CA 2.172 58.238 56.100 -0.056 0.000 0.960 263 R CB -0.503 29.786 30.300 -0.019 0.000 0.856 263 R HN 0.796 nan 8.270 nan 0.000 0.436 264 E N -0.040 120.122 120.200 -0.063 0.000 2.153 264 E HA -0.233 4.102 4.350 -0.025 0.000 0.194 264 E C 1.991 178.512 176.600 -0.131 0.000 0.988 264 E CA 1.067 57.430 56.400 -0.061 0.000 0.811 264 E CB 0.093 29.774 29.700 -0.033 0.000 0.746 264 E HN 0.271 nan 8.360 nan 0.000 0.466 265 R N -0.009 120.378 120.500 -0.189 0.000 2.092 265 R HA -0.034 4.291 4.340 -0.025 0.000 0.231 265 R C 2.388 178.565 176.300 -0.206 0.000 1.119 265 R CA 1.246 57.188 56.100 -0.264 0.000 0.970 265 R CB -0.078 29.903 30.300 -0.533 0.000 0.864 265 R HN 0.265 nan 8.270 nan 0.000 0.440 266 I N 0.196 120.664 120.570 -0.169 0.000 2.252 266 I HA -0.275 3.880 4.170 -0.025 0.000 0.245 266 I C 2.038 178.097 176.117 -0.095 0.000 1.102 266 I CA 1.248 62.479 61.300 -0.116 0.000 1.385 266 I CB -0.232 37.718 38.000 -0.082 0.000 1.064 266 I HN 0.146 nan 8.210 nan 0.000 0.414 267 I N 0.823 121.342 120.570 -0.085 0.000 2.163 267 I HA -0.320 3.835 4.170 -0.025 0.000 0.243 267 I C 2.427 178.439 176.117 -0.174 0.000 1.085 267 I CA 1.665 62.927 61.300 -0.065 0.000 1.347 267 I CB -0.385 37.616 38.000 0.001 0.000 1.044 267 I HN 0.160 nan 8.210 nan 0.000 0.408 268 K N -0.049 120.186 120.400 -0.275 0.000 2.288 268 K HA -0.165 4.140 4.320 -0.025 0.000 0.201 268 K C 2.181 178.669 176.600 -0.187 0.000 1.048 268 K CA 0.705 56.775 56.287 -0.361 0.000 0.956 268 K CB 0.005 32.298 32.500 -0.345 0.000 0.746 268 K HN 0.050 nan 8.250 nan 0.000 0.461 269 R N 0.945 121.370 120.500 -0.124 0.000 2.112 269 R HA 0.110 4.435 4.340 -0.025 0.000 0.216 269 R C 1.817 178.054 176.300 -0.104 0.000 1.080 269 R CA 1.315 57.366 56.100 -0.081 0.000 0.996 269 R CB -0.547 29.722 30.300 -0.052 0.000 0.902 269 R HN 0.082 nan 8.270 nan 0.000 0.449 270 A N 0.765 123.517 122.820 -0.113 0.000 1.940 270 A HA -0.059 4.246 4.320 -0.025 0.000 0.219 270 A C 2.322 179.764 177.584 -0.238 0.000 1.176 270 A CA 1.784 53.728 52.037 -0.156 0.000 0.631 270 A CB -1.079 17.861 19.000 -0.099 0.000 0.814 270 A HN 0.449 nan 8.150 nan 0.000 0.446 271 A N -0.500 122.269 122.820 -0.086 0.000 2.076 271 A HA -0.032 4.273 4.320 -0.025 0.000 0.220 271 A C 1.926 179.531 177.584 0.036 0.000 1.160 271 A CA 1.392 53.490 52.037 0.102 0.000 0.653 271 A CB -0.536 18.562 19.000 0.164 0.000 0.801 271 A HN 0.500 nan 8.150 nan 0.000 0.455 272 L N -0.589 120.590 121.223 -0.073 0.000 2.599 272 L HA 0.003 4.328 4.340 -0.025 0.000 0.230 272 L C 1.743 178.546 176.870 -0.111 0.000 1.141 272 L CA 0.169 54.981 54.840 -0.047 0.000 0.877 272 L CB -0.214 41.821 42.059 -0.039 0.000 1.009 272 L HN 0.295 nan 8.230 nan 0.000 0.447 273 E N 0.157 120.186 120.200 -0.284 0.000 2.358 273 E HA 0.000 4.335 4.350 -0.025 0.000 0.195 273 E C 0.229 176.666 176.600 -0.271 0.000 1.010 273 E CA 0.318 56.535 56.400 -0.305 0.000 0.856 273 E CB 0.057 29.507 29.700 -0.417 0.000 0.795 273 E HN 0.189 nan 8.360 nan 0.000 0.504 274 F N 1.735 121.682 119.950 -0.004 0.000 2.471 274 F HA 0.150 4.668 4.527 -0.016 0.000 0.353 274 F C 0.997 176.781 175.800 -0.026 0.000 1.113 274 F CA 0.065 58.055 58.000 -0.018 0.000 1.262 274 F CB 0.511 39.499 39.000 -0.019 0.000 1.146 274 F HN -0.253 nan 8.300 nan 0.000 0.578 275 E N 0.326 120.628 120.200 0.171 0.000 2.343 275 E HA 0.188 4.522 4.350 -0.025 0.000 0.270 275 E C -1.581 175.029 176.600 0.017 0.000 0.895 275 E CA -1.168 55.274 56.400 0.070 0.000 0.767 275 E CB 2.024 31.750 29.700 0.043 0.000 1.248 275 E HN 0.445 nan 8.360 nan 0.000 0.440 276 D N -0.086 120.307 120.400 -0.012 0.000 2.458 276 D HA 0.220 4.845 4.640 -0.025 0.000 0.243 276 D C 0.966 177.221 176.300 -0.075 0.000 1.146 276 D CA 1.923 55.888 54.000 -0.059 0.000 0.877 276 D CB 0.512 41.289 40.800 -0.040 0.000 1.176 276 D HN 0.616 nan 8.370 nan 0.000 0.461 277 G N 3.225 111.935 108.800 -0.151 0.000 2.179 277 G HA2 -0.321 3.624 3.960 -0.025 0.000 0.260 277 G HA3 -0.321 3.624 3.960 -0.025 0.000 0.260 277 G C 0.544 175.314 174.900 -0.216 0.000 0.977 277 G CA 0.399 45.411 45.100 -0.147 0.000 0.641 277 G HN 0.644 nan 8.290 nan 0.000 0.533 278 M N 0.514 120.005 119.600 -0.181 0.000 2.243 278 M HA 0.585 5.050 4.480 -0.025 0.000 0.341 278 M C -0.346 175.795 176.300 -0.265 0.000 1.130 278 M CA -0.315 54.920 55.300 -0.108 0.000 1.162 278 M CB 0.355 32.969 32.600 0.023 0.000 1.497 278 M HN 0.108 nan 8.290 nan 0.000 0.456 279 Y N 3.291 123.658 120.300 0.112 0.000 2.335 279 Y HA 0.641 5.178 4.550 -0.021 0.000 0.339 279 Y C 0.109 176.070 175.900 0.102 0.000 0.987 279 Y CA -0.439 57.730 58.100 0.116 0.000 1.140 279 Y CB 1.349 39.862 38.460 0.088 0.000 1.173 279 Y HN 0.764 nan 8.280 nan 0.000 0.486 280 A N 3.330 126.273 122.820 0.206 0.000 2.454 280 A HA 0.595 4.900 4.320 -0.025 0.000 0.302 280 A C -1.273 176.403 177.584 0.152 0.000 1.079 280 A CA -0.891 51.260 52.037 0.189 0.000 0.731 280 A CB 1.588 20.748 19.000 0.267 0.000 1.299 280 A HN 0.670 nan 8.150 nan 0.000 0.413 281 N N 1.679 120.456 118.700 0.128 0.000 2.399 281 N HA 0.507 5.232 4.740 -0.025 0.000 0.280 281 N C -1.758 173.815 175.510 0.104 0.000 1.008 281 N CA -0.225 52.880 53.050 0.093 0.000 0.894 281 N CB 1.009 39.534 38.487 0.063 0.000 1.273 281 N HN 0.594 nan 8.380 nan 0.000 0.486 282 L N 2.311 123.594 121.223 0.101 0.000 2.305 282 L HA 0.519 4.843 4.340 -0.025 0.000 0.284 282 L C 1.266 178.188 176.870 0.088 0.000 1.013 282 L CA -1.076 53.832 54.840 0.113 0.000 0.819 282 L CB 1.704 43.850 42.059 0.145 0.000 1.227 282 L HN 0.466 nan 8.230 nan 0.000 0.417 283 G N 3.166 112.018 108.800 0.086 0.000 2.569 283 G HA2 0.438 4.383 3.960 -0.025 0.000 0.249 283 G HA3 0.438 4.383 3.960 -0.025 0.000 0.249 283 G C 0.195 175.145 174.900 0.083 0.000 1.216 283 G CA -0.697 44.452 45.100 0.081 0.000 0.845 283 G HN 0.635 nan 8.290 nan 0.000 0.568 284 I N -0.212 120.407 120.570 0.081 0.000 2.938 284 I HA 0.552 4.707 4.170 -0.025 0.000 0.285 284 I C 1.048 177.216 176.117 0.085 0.000 1.182 284 I CA 0.266 61.620 61.300 0.090 0.000 1.388 284 I CB 0.180 38.233 38.000 0.088 0.000 1.390 284 I HN 1.084 nan 8.210 nan 0.000 0.600 285 G N 3.773 112.629 108.800 0.094 0.000 2.464 285 G HA2 -0.228 3.717 3.960 -0.025 0.000 0.216 285 G HA3 -0.228 3.717 3.960 -0.025 0.000 0.216 285 G C 0.316 175.270 174.900 0.090 0.000 1.186 285 G CA -0.038 45.112 45.100 0.084 0.000 1.010 285 G HN 0.673 nan 8.290 nan 0.000 0.585 286 I N 2.430 123.045 120.570 0.074 0.000 2.118 286 I HA -0.151 4.004 4.170 -0.025 0.000 0.241 286 I C 0.143 176.318 176.117 0.097 0.000 1.070 286 I CA 2.543 63.888 61.300 0.075 0.000 1.327 286 I CB -1.099 36.926 38.000 0.042 0.000 1.034 286 I HN 0.362 nan 8.210 nan 0.000 0.405 287 P HA -0.208 nan 4.420 nan 0.000 0.215 287 P C 1.827 179.235 177.300 0.180 0.000 1.157 287 P CA 1.316 64.486 63.100 0.116 0.000 0.874 287 P CB -0.012 31.745 31.700 0.095 0.000 0.790 288 L N -1.038 120.266 121.223 0.135 0.000 2.056 288 L HA -0.110 4.215 4.340 -0.025 0.000 0.207 288 L C 2.264 179.201 176.870 0.111 0.000 1.078 288 L CA 1.673 56.578 54.840 0.107 0.000 0.749 288 L CB -1.464 40.641 42.059 0.076 0.000 0.901 288 L HN -0.123 nan 8.230 nan 0.000 0.433 289 L N -0.621 120.685 121.223 0.138 0.000 2.042 289 L HA -0.237 4.088 4.340 -0.025 0.000 0.210 289 L C 2.643 179.675 176.870 0.270 0.000 1.076 289 L CA 1.307 56.248 54.840 0.167 0.000 0.749 289 L CB -0.972 41.193 42.059 0.176 0.000 0.893 289 L HN 0.383 nan 8.230 nan 0.000 0.432 290 A N 0.180 123.184 122.820 0.306 0.000 1.986 290 A HA -0.249 4.056 4.320 -0.025 0.000 0.220 290 A C 2.482 180.390 177.584 0.539 0.000 1.171 290 A CA 2.025 54.333 52.037 0.452 0.000 0.640 290 A CB -0.694 18.500 19.000 0.323 0.000 0.811 290 A HN 0.575 nan 8.150 nan 0.000 0.451 291 S N 0.446 116.322 115.700 0.294 0.000 2.442 291 S HA -0.155 4.300 4.470 -0.025 0.000 0.236 291 S C 1.451 175.976 174.600 -0.125 0.000 1.007 291 S CA 1.131 59.266 58.200 -0.108 0.000 0.965 291 S CB -0.655 62.409 63.200 -0.227 0.000 0.773 291 S HN 0.611 nan 8.310 nan 0.000 0.504 292 N N 1.041 119.699 118.700 -0.069 0.000 2.453 292 N HA 0.032 4.757 4.740 -0.025 0.000 0.183 292 N C 0.303 175.593 175.510 -0.366 0.000 1.041 292 N CA 0.867 53.761 53.050 -0.260 0.000 0.900 292 N CB -0.443 37.822 38.487 -0.370 0.000 0.961 292 N HN 0.561 nan 8.380 nan 0.000 0.443 293 F N 0.598 120.550 119.950 0.004 0.000 2.660 293 F HA 0.343 4.860 4.527 -0.017 0.000 0.302 293 F C 0.837 176.645 175.800 0.013 0.000 1.103 293 F CA -0.446 57.569 58.000 0.025 0.000 1.340 293 F CB 0.008 39.051 39.000 0.071 0.000 1.048 293 F HN -0.183 nan 8.300 nan 0.000 0.551 294 I N 0.338 120.939 120.570 0.051 0.000 2.588 294 I HA -0.039 4.115 4.170 -0.025 0.000 0.283 294 I C 1.012 177.108 176.117 -0.034 0.000 1.119 294 I CA -0.160 61.115 61.300 -0.042 0.000 1.419 294 I CB 0.717 38.541 38.000 -0.292 0.000 1.394 294 I HN -0.022 nan 8.210 nan 0.000 0.562 295 S N 8.743 124.441 115.700 -0.003 0.000 2.533 295 S HA 0.167 4.621 4.470 -0.025 0.000 0.282 295 S C -1.097 173.472 174.600 -0.051 0.000 1.304 295 S CA -1.154 57.040 58.200 -0.011 0.000 1.063 295 S CB 0.735 63.939 63.200 0.006 0.000 0.881 295 S HN 0.472 nan 8.310 nan 0.000 0.493 296 P HA -0.081 nan 4.420 nan 0.000 0.231 296 P C 0.327 177.593 177.300 -0.055 0.000 1.158 296 P CA 1.051 64.114 63.100 -0.062 0.000 0.763 296 P CB -0.284 31.386 31.700 -0.049 0.000 0.805 297 N N -1.230 117.445 118.700 -0.042 0.000 2.416 297 N HA 0.049 4.774 4.740 -0.025 0.000 0.177 297 N C 1.009 176.490 175.510 -0.049 0.000 1.036 297 N CA 0.125 53.153 53.050 -0.036 0.000 0.901 297 N CB -0.094 38.381 38.487 -0.020 0.000 0.976 297 N HN 0.181 nan 8.380 nan 0.000 0.444 298 M N 1.511 121.074 119.600 -0.062 0.000 2.264 298 M HA 0.135 4.600 4.480 -0.025 0.000 0.352 298 M C -0.588 175.626 176.300 -0.144 0.000 1.173 298 M CA -0.400 54.851 55.300 -0.082 0.000 1.075 298 M CB 1.161 33.724 32.600 -0.061 0.000 1.621 298 M HN 0.000 nan 8.290 nan 0.000 0.457 299 T N 1.863 116.309 114.554 -0.180 0.000 2.743 299 T HA 0.619 4.954 4.350 -0.025 0.000 0.292 299 T C -0.558 173.861 174.700 -0.468 0.000 0.972 299 T CA -0.804 61.113 62.100 -0.305 0.000 0.967 299 T CB 0.446 69.159 68.868 -0.257 0.000 0.926 299 T HN 0.379 nan 8.240 nan 0.000 0.459 300 V N 4.591 124.188 119.914 -0.528 0.000 2.487 300 V HA 0.384 4.489 4.120 -0.025 0.000 0.298 300 V C -0.529 175.210 176.094 -0.592 0.000 1.028 300 V CA -0.969 61.019 62.300 -0.521 0.000 0.860 300 V CB 1.495 33.080 31.823 -0.397 0.000 0.991 300 V HN 0.886 nan 8.190 nan 0.000 0.427 301 H N 5.286 124.195 119.070 -0.270 0.000 2.556 301 H HA 0.504 5.046 4.556 -0.025 0.000 0.310 301 H C -0.587 174.707 175.328 -0.056 0.000 1.057 301 H CA -0.382 55.562 56.048 -0.173 0.000 1.264 301 H CB 1.637 31.270 29.762 -0.214 0.000 1.404 301 H HN 0.434 nan 8.280 nan 0.000 0.462 302 L N 3.026 124.280 121.223 0.051 0.000 2.275 302 L HA 0.225 4.549 4.340 -0.025 0.000 0.288 302 L C 0.671 177.581 176.870 0.068 0.000 1.046 302 L CA -0.444 54.420 54.840 0.039 0.000 0.805 302 L CB 1.296 43.333 42.059 -0.037 0.000 1.193 302 L HN 0.395 nan 8.230 nan 0.000 0.426 303 Q N 2.133 121.986 119.800 0.089 0.000 2.230 303 Q HA 0.342 4.667 4.340 -0.025 0.000 0.253 303 Q C -1.131 174.872 176.000 0.005 0.000 0.919 303 Q CA -0.123 55.725 55.803 0.076 0.000 0.908 303 Q CB 2.136 30.932 28.738 0.097 0.000 1.245 303 Q HN 0.586 nan 8.270 nan 0.000 0.437 304 S N 2.049 117.718 115.700 -0.051 0.000 2.478 304 S HA 0.132 4.587 4.470 -0.025 0.000 0.312 304 S C 0.824 175.302 174.600 -0.203 0.000 1.094 304 S CA -0.588 57.542 58.200 -0.117 0.000 1.081 304 S CB 0.775 63.886 63.200 -0.147 0.000 1.007 304 S HN 0.667 nan 8.310 nan 0.000 0.475 305 E N 3.808 123.873 120.200 -0.225 0.000 2.333 305 E HA -0.175 4.160 4.350 -0.025 0.000 0.198 305 E C 0.672 177.024 176.600 -0.413 0.000 1.007 305 E CA 0.889 57.050 56.400 -0.399 0.000 0.845 305 E CB -0.451 29.060 29.700 -0.315 0.000 0.766 305 E HN 0.740 nan 8.360 nan 0.000 0.507 306 N N 1.109 119.488 118.700 -0.536 0.000 2.515 306 N HA 0.013 4.738 4.740 -0.025 0.000 0.191 306 N C 0.808 176.006 175.510 -0.519 0.000 1.182 306 N CA 0.840 53.426 53.050 -0.774 0.000 0.879 306 N CB 0.362 37.872 38.487 -1.628 0.000 0.984 306 N HN 0.301 nan 8.380 nan 0.000 0.453 307 G N 0.269 108.763 108.800 -0.510 0.000 2.327 307 G HA2 -0.094 3.850 3.960 -0.025 0.000 0.159 307 G HA3 -0.094 3.850 3.960 -0.025 0.000 0.159 307 G C -0.660 173.507 174.900 -1.221 0.000 1.056 307 G CA -0.408 44.192 45.100 -0.833 0.000 0.751 307 G HN 0.321 nan 8.290 nan 0.000 0.488 308 I N -0.408 119.645 120.570 -0.862 0.000 2.647 308 I HA 0.709 4.864 4.170 -0.025 0.000 0.295 308 I C -0.652 175.319 176.117 -0.244 0.000 1.078 308 I CA -1.381 59.546 61.300 -0.621 0.000 1.048 308 I CB 2.230 40.062 38.000 -0.279 0.000 1.239 308 I HN 0.093 nan 8.210 nan 0.000 0.421 309 L N 4.754 125.912 121.223 -0.109 0.000 2.404 309 L HA 0.828 5.152 4.340 -0.025 0.000 0.272 309 L C 0.129 176.976 176.870 -0.038 0.000 0.980 309 L CA 0.252 55.148 54.840 0.094 0.000 0.836 309 L CB 1.589 43.797 42.059 0.249 0.000 1.238 309 L HN 0.815 nan 8.230 nan 0.000 0.408 310 G N 4.513 113.312 108.800 -0.001 0.000 2.237 310 G HA2 -0.132 3.813 3.960 -0.025 0.000 0.153 310 G HA3 -0.132 3.813 3.960 -0.025 0.000 0.153 310 G C -0.228 174.635 174.900 -0.061 0.000 1.039 310 G CA -0.223 44.874 45.100 -0.006 0.000 0.719 310 G HN 0.636 nan 8.290 nan 0.000 0.491 311 L N 0.211 121.395 121.223 -0.065 0.000 2.506 311 L HA 0.466 4.791 4.340 -0.025 0.000 0.281 311 L C 1.465 178.277 176.870 -0.097 0.000 1.228 311 L CA 0.901 55.691 54.840 -0.084 0.000 0.850 311 L CB 0.529 42.538 42.059 -0.083 0.000 1.110 311 L HN 0.374 nan 8.230 nan 0.000 0.496 312 G N 2.050 110.789 108.800 -0.102 0.000 3.075 312 G HA2 0.652 4.596 3.960 -0.025 0.000 0.253 312 G HA3 0.652 4.596 3.960 -0.025 0.000 0.253 312 G C -2.735 172.066 174.900 -0.165 0.000 1.353 312 G CA -0.835 44.196 45.100 -0.115 0.000 1.051 312 G HN 0.419 nan 8.290 nan 0.000 0.553 313 P HA 0.208 nan 4.420 nan 0.000 0.274 313 P C -0.947 176.263 177.300 -0.151 0.000 1.256 313 P CA -0.393 62.574 63.100 -0.222 0.000 0.795 313 P CB 0.585 32.202 31.700 -0.139 0.000 1.038 314 Y N 0.346 120.630 120.300 -0.027 0.000 2.683 314 Y HA 0.085 4.621 4.550 -0.023 0.000 0.340 314 Y C -1.226 174.663 175.900 -0.018 0.000 1.245 314 Y CA -1.479 56.610 58.100 -0.018 0.000 1.485 314 Y CB -1.168 37.283 38.460 -0.015 0.000 1.328 314 Y HN 0.322 nan 8.280 nan 0.000 0.603 315 P HA 0.157 nan 4.420 nan 0.000 0.276 315 P C -0.545 176.791 177.300 0.060 0.000 1.252 315 P CA -0.357 62.790 63.100 0.078 0.000 0.802 315 P CB 1.125 32.859 31.700 0.056 0.000 1.035 316 L N 0.995 122.239 121.223 0.034 0.000 2.464 316 L HA 0.060 4.385 4.340 -0.025 0.000 0.264 316 L C 2.526 179.405 176.870 0.015 0.000 1.199 316 L CA 0.022 54.875 54.840 0.021 0.000 0.818 316 L CB -0.140 41.927 42.059 0.013 0.000 1.102 316 L HN 0.520 nan 8.230 nan 0.000 0.473 317 Q N 1.842 121.646 119.800 0.006 0.000 2.133 317 Q HA -0.253 4.072 4.340 -0.025 0.000 0.208 317 Q C 1.432 177.433 176.000 0.001 0.000 0.991 317 Q CA 2.459 58.261 55.803 -0.001 0.000 0.867 317 Q CB 0.011 28.746 28.738 -0.005 0.000 0.911 317 Q HN 0.810 nan 8.270 nan 0.000 0.417 318 N N -0.536 118.166 118.700 0.003 0.000 2.521 318 N HA -0.091 4.634 4.740 -0.025 0.000 0.188 318 N C 0.188 175.701 175.510 0.005 0.000 1.146 318 N CA 0.885 53.937 53.050 0.003 0.000 0.893 318 N CB 0.156 38.645 38.487 0.004 0.000 0.975 318 N HN 0.461 nan 8.380 nan 0.000 0.451 319 E N -0.391 119.813 120.200 0.007 0.000 2.498 319 E HA 0.158 4.492 4.350 -0.025 0.000 0.203 319 E C -0.375 176.230 176.600 0.008 0.000 1.013 319 E CA -0.266 56.139 56.400 0.008 0.000 0.927 319 E CB 0.873 30.581 29.700 0.013 0.000 1.012 319 E HN 0.034 nan 8.360 nan 0.000 0.482 320 V N 2.518 122.437 119.914 0.007 0.000 2.694 320 V HA -0.049 4.056 4.120 -0.025 0.000 0.306 320 V C 0.028 176.120 176.094 -0.004 0.000 1.054 320 V CA 0.711 63.015 62.300 0.006 0.000 1.161 320 V CB 0.653 32.476 31.823 0.001 0.000 0.916 320 V HN 0.151 nan 8.190 nan 0.000 0.490 321 D N 3.375 123.770 120.400 -0.008 0.000 2.788 321 D HA 0.484 5.109 4.640 -0.025 0.000 0.247 321 D C 0.538 176.821 176.300 -0.028 0.000 1.236 321 D CA -0.056 53.926 54.000 -0.030 0.000 0.898 321 D CB 2.125 42.894 40.800 -0.051 0.000 1.401 321 D HN 0.489 nan 8.370 nan 0.000 0.549 322 A N 3.341 126.145 122.820 -0.027 0.000 2.076 322 A HA -0.149 4.155 4.320 -0.025 0.000 0.220 322 A C 1.275 178.845 177.584 -0.023 0.000 1.160 322 A CA 1.204 53.236 52.037 -0.008 0.000 0.653 322 A CB 0.010 19.014 19.000 0.006 0.000 0.801 322 A HN 0.513 nan 8.150 nan 0.000 0.455 323 D N -1.563 118.789 120.400 -0.081 0.000 2.340 323 D HA 0.177 4.802 4.640 -0.025 0.000 0.220 323 D C -0.273 175.942 176.300 -0.142 0.000 1.039 323 D CA 0.340 54.259 54.000 -0.135 0.000 0.866 323 D CB 0.454 41.102 40.800 -0.253 0.000 0.913 323 D HN 0.318 nan 8.370 nan 0.000 0.523 324 L N 1.736 122.914 121.223 -0.075 0.000 2.427 324 L HA 0.392 4.717 4.340 -0.025 0.000 0.264 324 L C -0.856 176.025 176.870 0.019 0.000 0.989 324 L CA -0.726 54.090 54.840 -0.039 0.000 0.865 324 L CB 0.610 42.655 42.059 -0.022 0.000 1.209 324 L HN -0.089 nan 8.230 nan 0.000 0.430 325 I N 1.192 121.782 120.570 0.033 0.000 3.074 325 I HA 0.737 4.892 4.170 -0.025 0.000 0.310 325 I C -0.652 175.502 176.117 0.063 0.000 1.153 325 I CA -0.903 60.444 61.300 0.078 0.000 0.993 325 I CB 2.153 40.228 38.000 0.126 0.000 1.237 325 I HN 0.554 nan 8.210 nan 0.000 0.443 326 N N 2.480 121.238 118.700 0.096 0.000 2.566 326 N HA 0.444 5.169 4.740 -0.025 0.000 0.299 326 N C 0.750 176.328 175.510 0.113 0.000 1.277 326 N CA -0.138 52.945 53.050 0.056 0.000 0.965 326 N CB 0.426 38.953 38.487 0.067 0.000 1.142 326 N HN 0.802 nan 8.380 nan 0.000 0.596 327 A N -1.347 121.523 122.820 0.082 0.000 2.067 327 A HA 0.115 4.420 4.320 -0.025 0.000 0.219 327 A C 1.717 179.462 177.584 0.268 0.000 1.158 327 A CA 1.390 53.548 52.037 0.201 0.000 0.661 327 A CB -1.413 17.657 19.000 0.115 0.000 0.801 327 A HN 0.792 nan 8.150 nan 0.000 0.452 328 G N -1.319 107.576 108.800 0.158 0.000 3.181 328 G HA2 0.268 4.213 3.960 -0.025 0.000 0.219 328 G HA3 0.268 4.213 3.960 -0.025 0.000 0.219 328 G C 0.603 175.566 174.900 0.105 0.000 1.182 328 G CA 0.327 45.484 45.100 0.094 0.000 0.791 328 G HN 0.501 nan 8.290 nan 0.000 0.537 329 K N -0.484 120.028 120.400 0.188 0.000 3.281 329 K HA -0.168 4.137 4.320 -0.025 0.000 0.295 329 K C -0.286 176.384 176.600 0.116 0.000 1.233 329 K CA 0.858 57.244 56.287 0.165 0.000 0.866 329 K CB -1.259 31.287 32.500 0.076 0.000 1.265 329 K HN 0.573 nan 8.250 nan 0.000 0.482 330 E N 1.296 121.575 120.200 0.131 0.000 2.266 330 E HA 0.146 4.481 4.350 -0.025 0.000 0.277 330 E C 0.393 177.073 176.600 0.134 0.000 1.018 330 E CA -0.395 56.073 56.400 0.114 0.000 0.840 330 E CB 0.897 30.705 29.700 0.180 0.000 1.082 330 E HN 0.199 nan 8.360 nan 0.000 0.395 331 T N -0.617 113.990 114.554 0.089 0.000 2.916 331 T HA 0.317 4.652 4.350 -0.025 0.000 0.303 331 T C 0.405 175.214 174.700 0.181 0.000 1.025 331 T CA -0.769 61.387 62.100 0.094 0.000 1.142 331 T CB 0.339 69.235 68.868 0.047 0.000 0.947 331 T HN 0.328 nan 8.240 nan 0.000 0.544 332 V N -0.407 119.587 119.914 0.134 0.000 3.084 332 V HA 0.977 5.082 4.120 -0.025 0.000 0.311 332 V C -0.015 176.117 176.094 0.064 0.000 1.311 332 V CA -0.623 61.752 62.300 0.126 0.000 1.062 332 V CB 1.439 33.298 31.823 0.060 0.000 1.113 332 V HN 1.290 nan 8.190 nan 0.000 0.468 333 T N -1.234 113.334 114.554 0.024 0.000 2.864 333 T HA 0.888 5.223 4.350 -0.025 0.000 0.289 333 T C -0.445 174.248 174.700 -0.011 0.000 1.082 333 T CA -0.137 61.971 62.100 0.013 0.000 1.009 333 T CB 1.478 70.347 68.868 0.001 0.000 1.234 333 T HN 2.167 nan 8.240 nan 0.000 0.526 334 V N -1.061 118.847 119.914 -0.011 0.000 3.001 334 V HA 0.786 4.891 4.120 -0.025 0.000 0.314 334 V C -0.552 175.516 176.094 -0.044 0.000 1.099 334 V CA -1.346 60.925 62.300 -0.048 0.000 0.989 334 V CB 1.219 32.987 31.823 -0.093 0.000 1.040 334 V HN 1.012 nan 8.190 nan 0.000 0.434 335 L N 1.170 122.361 121.223 -0.054 0.000 2.431 335 L HA 0.571 4.896 4.340 -0.025 0.000 0.260 335 L C -2.165 174.687 176.870 -0.031 0.000 1.098 335 L CA -1.855 52.962 54.840 -0.039 0.000 0.800 335 L CB 1.150 43.188 42.059 -0.035 0.000 1.210 335 L HN 0.454 nan 8.230 nan 0.000 0.465 336 P HA 0.061 nan 4.420 nan 0.000 0.266 336 P C 0.455 177.746 177.300 -0.014 0.000 1.195 336 P CA 0.682 63.775 63.100 -0.011 0.000 0.768 336 P CB 0.532 32.229 31.700 -0.004 0.000 0.838 337 G N 1.092 109.879 108.800 -0.023 0.000 2.148 337 G HA2 -0.150 3.794 3.960 -0.025 0.000 0.254 337 G HA3 -0.150 3.794 3.960 -0.025 0.000 0.254 337 G C 0.495 175.353 174.900 -0.070 0.000 0.981 337 G CA -0.006 45.072 45.100 -0.035 0.000 0.670 337 G HN 0.835 nan 8.290 nan 0.000 0.528 338 A N -0.369 122.391 122.820 -0.099 0.000 2.327 338 A HA 0.847 5.152 4.320 -0.025 0.000 0.255 338 A C 0.847 178.289 177.584 -0.237 0.000 1.099 338 A CA 0.993 52.922 52.037 -0.180 0.000 0.801 338 A CB 0.605 19.448 19.000 -0.262 0.000 1.062 338 A HN 2.046 nan 8.150 nan 0.000 0.496 339 S N -1.285 114.230 115.700 -0.307 0.000 2.588 339 S HA 0.750 5.205 4.470 -0.025 0.000 0.275 339 S C -1.366 172.927 174.600 -0.512 0.000 1.130 339 S CA -0.637 57.414 58.200 -0.248 0.000 0.855 339 S CB 0.904 64.111 63.200 0.011 0.000 1.116 339 S HN 0.536 nan 8.310 nan 0.000 0.472 340 Y N 0.689 120.921 120.300 -0.113 0.000 2.509 340 Y HA 0.818 5.353 4.550 -0.025 0.000 0.341 340 Y C -0.309 175.399 175.900 -0.320 0.000 1.038 340 Y CA -1.051 56.809 58.100 -0.400 0.000 1.089 340 Y CB 1.644 39.932 38.460 -0.286 0.000 1.241 340 Y HN 0.873 nan 8.280 nan 0.000 0.468 341 F N -1.966 117.964 119.950 -0.034 0.000 2.741 341 F HA 0.703 5.214 4.527 -0.027 0.000 0.313 341 F C -0.394 175.295 175.800 -0.185 0.000 1.153 341 F CA -1.669 56.248 58.000 -0.138 0.000 0.931 341 F CB 0.499 39.400 39.000 -0.164 0.000 1.335 341 F HN 0.341 nan 8.300 nan 0.000 0.460 342 S N -0.156 115.517 115.700 -0.045 0.000 2.624 342 S HA 0.303 4.758 4.470 -0.025 0.000 0.263 342 S C 0.653 175.151 174.600 -0.170 0.000 1.287 342 S CA 0.060 58.145 58.200 -0.191 0.000 0.990 342 S CB 1.217 64.284 63.200 -0.223 0.000 0.950 342 S HN 0.687 nan 8.310 nan 0.000 0.561 343 S N 1.440 116.934 115.700 -0.343 0.000 2.382 343 S HA -0.129 4.326 4.470 -0.025 0.000 0.228 343 S C 1.715 176.215 174.600 -0.166 0.000 1.027 343 S CA 1.373 59.339 58.200 -0.389 0.000 0.991 343 S CB -0.682 61.821 63.200 -1.162 0.000 0.823 343 S HN 0.929 nan 8.310 nan 0.000 0.469 344 D N 1.404 121.672 120.400 -0.219 0.000 2.144 344 D HA -0.153 4.472 4.640 -0.025 0.000 0.200 344 D C 1.785 178.049 176.300 -0.060 0.000 0.978 344 D CA 1.117 55.053 54.000 -0.106 0.000 0.833 344 D CB -0.459 40.253 40.800 -0.145 0.000 0.961 344 D HN 0.385 nan 8.370 nan 0.000 0.470 345 E N 1.211 121.366 120.200 -0.076 0.000 2.072 345 E HA -0.149 4.186 4.350 -0.025 0.000 0.191 345 E C 2.066 178.595 176.600 -0.119 0.000 0.985 345 E CA 1.445 57.786 56.400 -0.099 0.000 0.801 345 E CB -0.456 29.197 29.700 -0.078 0.000 0.750 345 E HN 0.132 nan 8.360 nan 0.000 0.452 346 S N -1.208 114.499 115.700 0.011 0.000 2.370 346 S HA -0.136 4.319 4.470 -0.025 0.000 0.226 346 S C 1.604 176.017 174.600 -0.311 0.000 1.033 346 S CA 1.350 59.509 58.200 -0.068 0.000 1.011 346 S CB -0.474 62.647 63.200 -0.131 0.000 0.852 346 S HN 0.388 nan 8.310 nan 0.000 0.457 347 F N 1.379 121.302 119.950 -0.045 0.000 2.615 347 F HA 0.341 4.854 4.527 -0.023 0.000 0.297 347 F C 2.338 178.120 175.800 -0.030 0.000 1.124 347 F CA 0.403 58.389 58.000 -0.024 0.000 1.451 347 F CB -0.532 38.459 39.000 -0.015 0.000 1.103 347 F HN 0.266 nan 8.300 nan 0.000 0.569 348 A N 0.010 122.857 122.820 0.044 0.000 1.898 348 A HA -0.206 4.098 4.320 -0.025 0.000 0.216 348 A C 2.268 179.853 177.584 0.002 0.000 1.181 348 A CA 1.546 53.581 52.037 -0.003 0.000 0.620 348 A CB -0.718 18.231 19.000 -0.085 0.000 0.819 348 A HN 0.380 nan 8.150 nan 0.000 0.442 349 M N -0.565 118.964 119.600 -0.118 0.000 2.108 349 M HA -0.141 4.324 4.480 -0.025 0.000 0.261 349 M C 1.927 178.251 176.300 0.040 0.000 1.066 349 M CA 1.893 57.112 55.300 -0.134 0.000 1.107 349 M CB -0.290 32.090 32.600 -0.367 0.000 1.356 349 M HN 0.443 nan 8.290 nan 0.000 0.406 350 I N -0.783 119.773 120.570 -0.023 0.000 2.233 350 I HA -0.259 3.895 4.170 -0.025 0.000 0.243 350 I C 2.597 178.773 176.117 0.098 0.000 1.093 350 I CA 1.120 62.433 61.300 0.021 0.000 1.380 350 I CB -0.427 37.549 38.000 -0.040 0.000 1.067 350 I HN 0.293 nan 8.210 nan 0.000 0.413 351 R N 0.921 121.509 120.500 0.146 0.000 2.115 351 R HA -0.104 4.221 4.340 -0.025 0.000 0.230 351 R C 2.144 178.507 176.300 0.106 0.000 1.111 351 R CA 1.372 57.565 56.100 0.154 0.000 0.976 351 R CB -0.411 30.000 30.300 0.185 0.000 0.870 351 R HN 0.411 nan 8.270 nan 0.000 0.445 352 G N -1.134 107.727 108.800 0.102 0.000 2.776 352 G HA2 0.013 3.957 3.960 -0.025 0.000 0.209 352 G HA3 0.013 3.957 3.960 -0.025 0.000 0.209 352 G C 0.812 175.581 174.900 -0.218 0.000 1.145 352 G CA 0.480 45.596 45.100 0.027 0.000 0.791 352 G HN 0.548 nan 8.290 nan 0.000 0.530 353 G N -0.324 108.412 108.800 -0.107 0.000 2.147 353 G HA2 -0.277 3.668 3.960 -0.025 0.000 0.244 353 G HA3 -0.277 3.668 3.960 -0.025 0.000 0.244 353 G C 0.835 175.595 174.900 -0.233 0.000 1.005 353 G CA 0.520 45.536 45.100 -0.140 0.000 0.713 353 G HN 0.599 nan 8.290 nan 0.000 0.515 354 H N -1.050 117.984 119.070 -0.061 0.000 2.502 354 H HA 0.125 4.665 4.556 -0.026 0.000 0.283 354 H C 1.558 176.836 175.328 -0.084 0.000 1.015 354 H CA 1.068 57.050 56.048 -0.110 0.000 1.298 354 H CB 0.334 29.980 29.762 -0.195 0.000 1.411 354 H HN 0.343 nan 8.280 nan 0.000 0.556 355 V N 2.495 122.443 119.914 0.057 0.000 2.555 355 V HA -0.044 4.061 4.120 -0.025 0.000 0.286 355 V C 0.798 176.956 176.094 0.105 0.000 1.044 355 V CA 0.141 62.501 62.300 0.101 0.000 1.026 355 V CB 1.197 33.069 31.823 0.082 0.000 0.981 355 V HN 0.391 nan 8.190 nan 0.000 0.480 356 N N 3.060 121.858 118.700 0.164 0.000 2.250 356 N HA 0.099 4.824 4.740 -0.025 0.000 0.181 356 N C 0.024 175.589 175.510 0.091 0.000 1.017 356 N CA 0.374 53.498 53.050 0.123 0.000 0.866 356 N CB 0.207 38.785 38.487 0.152 0.000 0.985 356 N HN 0.534 nan 8.380 nan 0.000 0.429 357 L N 0.114 121.401 121.223 0.107 0.000 2.410 357 L HA 0.462 4.786 4.340 -0.025 0.000 0.270 357 L C -1.453 175.466 176.870 0.083 0.000 0.983 357 L CA -0.299 54.587 54.840 0.076 0.000 0.822 357 L CB 2.317 44.413 42.059 0.063 0.000 1.285 357 L HN -0.234 nan 8.230 nan 0.000 0.409 358 T N 6.202 120.792 114.554 0.061 0.000 2.815 358 T HA 0.540 4.875 4.350 -0.025 0.000 0.289 358 T C -0.692 174.036 174.700 0.047 0.000 1.000 358 T CA -0.119 62.020 62.100 0.066 0.000 0.958 358 T CB 0.885 69.794 68.868 0.067 0.000 0.944 358 T HN 0.672 nan 8.240 nan 0.000 0.442 359 M N 5.799 125.429 119.600 0.050 0.000 2.181 359 M HA 0.672 5.137 4.480 -0.025 0.000 0.323 359 M C -1.868 174.461 176.300 0.050 0.000 1.004 359 M CA -0.783 54.534 55.300 0.027 0.000 0.941 359 M CB 0.521 33.115 32.600 -0.011 0.000 1.579 359 M HN 0.527 nan 8.290 nan 0.000 0.427 360 L N 3.149 124.398 121.223 0.044 0.000 2.491 360 L HA 1.019 5.344 4.340 -0.025 0.000 0.254 360 L C -0.133 176.766 176.870 0.048 0.000 1.048 360 L CA -0.801 54.073 54.840 0.057 0.000 0.855 360 L CB 0.640 42.743 42.059 0.072 0.000 1.466 360 L HN 0.594 nan 8.230 nan 0.000 0.409 361 G N -0.943 107.890 108.800 0.055 0.000 2.476 361 G HA2 0.763 4.707 3.960 -0.025 0.000 0.286 361 G HA3 0.763 4.707 3.960 -0.025 0.000 0.286 361 G C -1.000 173.930 174.900 0.051 0.000 1.177 361 G CA -0.009 45.119 45.100 0.046 0.000 0.870 361 G HN 1.070 nan 8.290 nan 0.000 0.528 362 A N 0.807 123.648 122.820 0.036 0.000 2.556 362 A HA 0.658 4.963 4.320 -0.025 0.000 0.294 362 A C 0.396 177.992 177.584 0.020 0.000 1.091 362 A CA -0.706 51.353 52.037 0.036 0.000 0.704 362 A CB 1.634 20.648 19.000 0.024 0.000 1.300 362 A HN 0.562 nan 8.150 nan 0.000 0.406 363 M N -0.234 119.378 119.600 0.018 0.000 2.552 363 M HA 0.191 4.656 4.480 -0.025 0.000 0.264 363 M C 0.399 176.694 176.300 -0.008 0.000 1.159 363 M CA 1.356 56.658 55.300 0.002 0.000 1.176 363 M CB 0.325 32.920 32.600 -0.007 0.000 1.327 363 M HN 0.715 nan 8.290 nan 0.000 0.481 364 Q N -0.674 119.122 119.800 -0.006 0.000 2.435 364 Q HA 0.633 4.958 4.340 -0.025 0.000 0.282 364 Q C -1.639 174.349 176.000 -0.019 0.000 1.020 364 Q CA -0.688 55.104 55.803 -0.018 0.000 0.820 364 Q CB 3.577 32.307 28.738 -0.013 0.000 1.436 364 Q HN -0.086 nan 8.270 nan 0.000 0.395 365 V N 1.063 120.949 119.914 -0.047 0.000 2.841 365 V HA 0.531 4.636 4.120 -0.025 0.000 0.310 365 V C -0.325 175.723 176.094 -0.077 0.000 1.090 365 V CA -0.660 61.611 62.300 -0.049 0.000 0.930 365 V CB 2.048 33.833 31.823 -0.065 0.000 1.014 365 V HN 0.929 nan 8.190 nan 0.000 0.425 366 S N 3.049 118.717 115.700 -0.054 0.000 2.707 366 S HA 0.393 4.848 4.470 -0.025 0.000 0.276 366 S C 1.083 175.601 174.600 -0.137 0.000 1.179 366 S CA -0.120 58.038 58.200 -0.070 0.000 0.992 366 S CB 1.363 64.561 63.200 -0.004 0.000 1.030 366 S HN 0.785 nan 8.310 nan 0.000 0.554 367 K N -0.287 119.983 120.400 -0.217 0.000 2.113 367 K HA -0.158 4.146 4.320 -0.025 0.000 0.208 367 K C 0.639 176.957 176.600 -0.470 0.000 1.047 367 K CA 1.697 57.730 56.287 -0.423 0.000 0.928 367 K CB -0.367 31.766 32.500 -0.612 0.000 0.716 367 K HN 0.781 nan 8.250 nan 0.000 0.446 368 Y N -0.808 119.472 120.300 -0.032 0.000 2.485 368 Y HA 0.265 4.799 4.550 -0.026 0.000 0.260 368 Y C 1.109 177.004 175.900 -0.009 0.000 1.173 368 Y CA 0.225 58.316 58.100 -0.015 0.000 1.252 368 Y CB 1.164 39.621 38.460 -0.004 0.000 1.123 368 Y HN 0.331 nan 8.280 nan 0.000 0.524 369 G N -0.292 108.551 108.800 0.070 0.000 2.148 369 G HA2 -0.225 3.720 3.960 -0.025 0.000 0.203 369 G HA3 -0.225 3.720 3.960 -0.025 0.000 0.203 369 G C -0.463 174.471 174.900 0.058 0.000 0.993 369 G CA -0.347 44.785 45.100 0.053 0.000 0.661 369 G HN 0.205 nan 8.290 nan 0.000 0.518 370 D N -0.125 120.312 120.400 0.061 0.000 2.399 370 D HA 0.513 5.138 4.640 -0.025 0.000 0.241 370 D C 0.377 176.704 176.300 0.046 0.000 1.133 370 D CA 0.168 54.203 54.000 0.058 0.000 0.890 370 D CB 1.811 42.643 40.800 0.053 0.000 1.201 370 D HN 0.391 nan 8.370 nan 0.000 0.432 371 L N 0.745 122.006 121.223 0.063 0.000 2.365 371 L HA 0.670 4.995 4.340 -0.025 0.000 0.273 371 L C -1.365 175.564 176.870 0.098 0.000 1.000 371 L CA -0.721 54.160 54.840 0.069 0.000 0.819 371 L CB 1.870 43.977 42.059 0.080 0.000 1.284 371 L HN 0.368 nan 8.230 nan 0.000 0.418 372 A N 3.748 126.615 122.820 0.079 0.000 2.310 372 A HA 0.683 4.987 4.320 -0.025 0.000 0.304 372 A C -0.447 177.188 177.584 0.086 0.000 1.231 372 A CA -0.244 51.843 52.037 0.084 0.000 0.799 372 A CB 0.281 19.290 19.000 0.015 0.000 1.162 372 A HN 0.837 nan 8.150 nan 0.000 0.486 373 N N 1.587 120.388 118.700 0.169 0.000 2.330 373 N HA -0.013 4.712 4.740 -0.025 0.000 0.249 373 N C 0.019 175.680 175.510 0.252 0.000 1.413 373 N CA 0.107 53.251 53.050 0.155 0.000 0.817 373 N CB -0.207 38.366 38.487 0.143 0.000 1.362 373 N HN 0.849 nan 8.380 nan 0.000 0.499 374 W N -0.780 120.550 121.300 0.050 0.000 2.576 374 W HA 0.474 5.119 4.660 -0.026 0.000 0.236 374 W C -0.670 175.887 176.519 0.064 0.000 0.989 374 W CA -0.157 57.228 57.345 0.066 0.000 1.254 374 W CB -0.007 29.496 29.460 0.071 0.000 0.857 374 W HN -0.019 nan 8.180 nan 0.000 0.662 382 K N 2.134 122.548 120.400 0.023 0.000 2.399 382 K HA 0.588 4.893 4.320 -0.025 0.000 0.196 382 K C 0.798 177.302 176.600 -0.159 0.000 1.117 382 K CA 0.921 57.109 56.287 -0.165 0.000 0.965 382 K CB 1.261 33.680 32.500 -0.134 0.000 0.983 382 K HN 1.374 nan 8.250 nan 0.000 0.531 383 G N 1.916 110.825 108.800 0.182 0.000 2.587 383 G HA2 -0.151 3.794 3.960 -0.025 0.000 0.686 383 G HA3 -0.151 3.794 3.960 -0.025 0.000 0.686 383 G C 0.281 175.381 174.900 0.332 0.000 1.236 383 G CA -0.096 45.129 45.100 0.208 0.000 0.820 383 G HN 0.007 nan 8.290 nan 0.000 0.645 384 M N 0.909 120.454 119.600 -0.092 0.000 2.556 384 M HA 0.358 4.823 4.480 -0.025 0.000 0.245 384 M C 1.518 177.804 176.300 -0.024 0.000 1.128 384 M CA 1.914 57.066 55.300 -0.247 0.000 1.069 384 M CB -1.399 30.552 32.600 -1.082 0.000 1.469 384 M HN 2.729 nan 8.290 nan 0.000 0.494 385 G N 1.695 110.539 108.800 0.073 0.000 2.634 385 G HA2 -0.336 3.609 3.960 -0.025 0.000 0.309 385 G HA3 -0.336 3.609 3.960 -0.025 0.000 0.309 385 G C 0.663 175.595 174.900 0.052 0.000 1.265 385 G CA 0.532 45.693 45.100 0.101 0.000 0.998 385 G HN 0.796 nan 8.290 nan 0.000 0.551 386 G N -0.071 108.824 108.800 0.158 0.000 3.088 386 G HA2 0.541 4.485 3.960 -0.025 0.000 0.217 386 G HA3 0.541 4.485 3.960 -0.025 0.000 0.217 386 G C 1.711 176.726 174.900 0.192 0.000 1.159 386 G CA 1.734 46.977 45.100 0.238 0.000 0.760 386 G HN 1.628 nan 8.290 nan 0.000 0.550 387 A N 1.141 124.024 122.820 0.105 0.000 1.908 387 A HA -0.083 4.221 4.320 -0.025 0.000 0.218 387 A C 2.333 179.951 177.584 0.057 0.000 1.181 387 A CA 1.611 53.705 52.037 0.094 0.000 0.627 387 A CB -0.349 18.715 19.000 0.105 0.000 0.818 387 A HN 0.391 nan 8.150 nan 0.000 0.445 388 M N -0.742 118.837 119.600 -0.035 0.000 2.213 388 M HA -0.141 4.323 4.480 -0.025 0.000 0.263 388 M C 1.430 177.758 176.300 0.047 0.000 1.062 388 M CA 1.493 56.771 55.300 -0.037 0.000 1.105 388 M CB -0.497 32.015 32.600 -0.147 0.000 1.385 388 M HN 0.424 nan 8.290 nan 0.000 0.417 389 D N 0.461 120.914 120.400 0.087 0.000 2.123 389 D HA -0.065 4.560 4.640 -0.025 0.000 0.200 389 D C 2.083 178.511 176.300 0.214 0.000 0.976 389 D CA 1.130 55.240 54.000 0.182 0.000 0.831 389 D CB -0.089 40.892 40.800 0.302 0.000 0.974 389 D HN 0.342 nan 8.370 nan 0.000 0.469 390 L N 1.054 122.409 121.223 0.219 0.000 2.189 390 L HA -0.154 4.171 4.340 -0.025 0.000 0.214 390 L C 2.175 179.113 176.870 0.115 0.000 1.097 390 L CA 0.889 55.826 54.840 0.161 0.000 0.764 390 L CB -0.156 41.990 42.059 0.146 0.000 0.900 390 L HN 0.040 nan 8.230 nan 0.000 0.436 391 V N -5.128 114.849 119.914 0.104 0.000 3.376 391 V HA 0.150 4.254 4.120 -0.025 0.000 0.313 391 V C 1.891 178.033 176.094 0.080 0.000 1.393 391 V CA 0.451 62.801 62.300 0.084 0.000 1.125 391 V CB 0.155 32.025 31.823 0.079 0.000 1.037 391 V HN 0.355 nan 8.190 nan 0.000 0.440 392 S N -0.201 115.555 115.700 0.094 0.000 2.489 392 S HA 0.070 4.525 4.470 -0.025 0.000 0.228 392 S C 1.145 175.791 174.600 0.075 0.000 0.995 392 S CA 0.829 59.084 58.200 0.091 0.000 0.934 392 S CB -0.188 63.086 63.200 0.123 0.000 0.771 392 S HN 0.711 nan 8.310 nan 0.000 0.522 393 S N -0.017 115.726 115.700 0.073 0.000 2.489 393 S HA 0.722 5.177 4.470 -0.025 0.000 0.291 393 S C 0.947 175.570 174.600 0.037 0.000 1.151 393 S CA -0.264 57.969 58.200 0.055 0.000 1.082 393 S CB 1.335 64.563 63.200 0.046 0.000 1.019 393 S HN 0.457 nan 8.310 nan 0.000 0.492 394 A N 4.824 127.660 122.820 0.027 0.000 2.067 394 A HA 0.039 4.344 4.320 -0.025 0.000 0.219 394 A C 1.836 179.429 177.584 0.016 0.000 1.158 394 A CA 1.027 53.077 52.037 0.022 0.000 0.661 394 A CB -0.329 18.681 19.000 0.017 0.000 0.801 394 A HN 0.903 nan 8.150 nan 0.000 0.452 395 K N -0.323 120.080 120.400 0.005 0.000 2.365 395 K HA 0.010 4.315 4.320 -0.025 0.000 0.199 395 K C -0.161 176.439 176.600 -0.000 0.000 1.045 395 K CA 0.699 56.980 56.287 -0.010 0.000 0.962 395 K CB -0.042 32.428 32.500 -0.049 0.000 0.759 395 K HN 0.312 nan 8.250 nan 0.000 0.469 396 T N 1.677 116.240 114.554 0.013 0.000 2.837 396 T HA 0.131 4.466 4.350 -0.025 0.000 0.285 396 T C -0.394 174.326 174.700 0.033 0.000 0.984 396 T CA -0.582 61.535 62.100 0.027 0.000 1.049 396 T CB 1.609 70.500 68.868 0.037 0.000 0.947 396 T HN 0.008 nan 8.240 nan 0.000 0.472 397 K N 2.974 123.395 120.400 0.035 0.000 2.349 397 K HA 0.354 4.659 4.320 -0.025 0.000 0.288 397 K C -0.902 175.716 176.600 0.031 0.000 1.058 397 K CA -0.374 55.931 56.287 0.030 0.000 0.953 397 K CB 0.325 32.839 32.500 0.023 0.000 0.997 397 K HN 0.306 nan 8.250 nan 0.000 0.477 398 V N 5.617 125.550 119.914 0.032 0.000 2.370 398 V HA 0.257 4.362 4.120 -0.025 0.000 0.283 398 V C -0.563 175.544 176.094 0.022 0.000 1.023 398 V CA -0.811 61.509 62.300 0.034 0.000 0.857 398 V CB 1.558 33.408 31.823 0.044 0.000 0.985 398 V HN 0.516 nan 8.190 nan 0.000 0.443 399 V N 6.087 126.008 119.914 0.011 0.000 2.409 399 V HA 0.435 4.539 4.120 -0.025 0.000 0.291 399 V C -0.090 176.004 176.094 0.001 0.000 1.020 399 V CA -0.631 61.666 62.300 -0.005 0.000 0.848 399 V CB 1.964 33.763 31.823 -0.042 0.000 0.990 399 V HN 0.572 nan 8.190 nan 0.000 0.430 400 V N 4.555 124.472 119.914 0.006 0.000 2.481 400 V HA 0.565 4.670 4.120 -0.025 0.000 0.286 400 V C 0.419 176.511 176.094 -0.003 0.000 1.042 400 V CA -0.206 62.099 62.300 0.009 0.000 0.928 400 V CB 2.153 33.982 31.823 0.011 0.000 0.986 400 V HN 1.036 nan 8.190 nan 0.000 0.462 401 T N 4.074 118.627 114.554 -0.002 0.000 2.815 401 T HA 0.816 5.150 4.350 -0.025 0.000 0.289 401 T C -0.732 173.965 174.700 -0.004 0.000 1.000 401 T CA -0.694 61.399 62.100 -0.010 0.000 0.958 401 T CB 1.150 70.011 68.868 -0.012 0.000 0.944 401 T HN 0.751 nan 8.240 nan 0.000 0.442 402 M N 0.384 119.976 119.600 -0.013 0.000 2.603 402 M HA 0.625 5.090 4.480 -0.025 0.000 0.275 402 M C -1.283 175.007 176.300 -0.017 0.000 1.226 402 M CA -0.977 54.315 55.300 -0.013 0.000 0.870 402 M CB 1.782 34.372 32.600 -0.017 0.000 1.716 402 M HN 0.336 nan 8.290 nan 0.000 0.482 403 E N 0.872 121.067 120.200 -0.008 0.000 2.415 403 E HA 0.003 4.337 4.350 -0.025 0.000 0.262 403 E C 0.102 176.717 176.600 0.025 0.000 1.038 403 E CA 0.299 56.704 56.400 0.008 0.000 0.921 403 E CB 0.844 30.549 29.700 0.009 0.000 0.950 403 E HN 0.755 nan 8.360 nan 0.000 0.438 404 H N 1.300 120.365 119.070 -0.008 0.000 2.319 404 H HA -0.072 4.469 4.556 -0.026 0.000 0.299 404 H C 0.007 175.360 175.328 0.042 0.000 1.092 404 H CA 1.646 57.707 56.048 0.021 0.000 1.302 404 H CB 0.454 30.228 29.762 0.020 0.000 1.373 404 H HN 0.176 nan 8.280 nan 0.000 0.497 405 S N -1.207 114.599 115.700 0.177 0.000 2.599 405 S HA 0.699 5.153 4.470 -0.025 0.000 0.294 405 S C -0.769 173.873 174.600 0.070 0.000 1.094 405 S CA -0.506 57.778 58.200 0.140 0.000 0.931 405 S CB 2.118 65.431 63.200 0.189 0.000 1.093 405 S HN 0.565 nan 8.310 nan 0.000 0.488 406 A N 1.576 124.425 122.820 0.049 0.000 2.257 406 A HA 0.560 4.865 4.320 -0.025 0.000 0.289 406 A C -0.009 177.584 177.584 0.015 0.000 1.095 406 A CA -0.506 51.544 52.037 0.022 0.000 0.836 406 A CB 0.048 19.055 19.000 0.011 0.000 1.111 406 A HN 0.769 nan 8.150 nan 0.000 0.497 407 K N -0.441 119.963 120.400 0.006 0.000 2.518 407 K HA 0.284 4.589 4.320 -0.025 0.000 0.276 407 K C 1.192 177.789 176.600 -0.005 0.000 0.974 407 K CA 1.357 57.645 56.287 0.002 0.000 0.986 407 K CB 0.007 32.507 32.500 -0.001 0.000 0.901 407 K HN 1.483 nan 8.250 nan 0.000 0.497 408 G N 1.979 110.775 108.800 -0.006 0.000 2.168 408 G HA2 -0.398 3.546 3.960 -0.025 0.000 0.263 408 G HA3 -0.398 3.546 3.960 -0.025 0.000 0.263 408 G C 0.392 175.279 174.900 -0.022 0.000 0.977 408 G CA 0.677 45.768 45.100 -0.015 0.000 0.659 408 G HN 0.902 nan 8.290 nan 0.000 0.533 409 N N -1.972 116.724 118.700 -0.006 0.000 2.741 409 N HA -0.087 4.638 4.740 -0.025 0.000 0.251 409 N C 0.702 176.187 175.510 -0.041 0.000 1.112 409 N CA 1.973 55.026 53.050 0.005 0.000 0.750 409 N CB -1.296 37.195 38.487 0.006 0.000 1.119 409 N HN 2.035 nan 8.380 nan 0.000 0.561 410 A N 0.333 123.122 122.820 -0.052 0.000 2.498 410 A HA 0.267 4.572 4.320 -0.025 0.000 0.239 410 A C 0.163 177.739 177.584 -0.013 0.000 1.068 410 A CA 0.018 51.992 52.037 -0.105 0.000 0.766 410 A CB 0.116 19.082 19.000 -0.056 0.000 1.003 410 A HN 0.441 nan 8.150 nan 0.000 0.497 411 H N 1.249 120.335 119.070 0.026 0.000 2.897 411 H HA 0.118 4.659 4.556 -0.025 0.000 0.347 411 H C 0.640 175.961 175.328 -0.011 0.000 1.068 411 H CA 0.458 56.519 56.048 0.022 0.000 1.426 411 H CB 0.836 30.609 29.762 0.018 0.000 1.410 411 H HN 0.746 nan 8.280 nan 0.000 0.597 412 K N 1.758 122.213 120.400 0.092 0.000 2.436 412 K HA 0.284 4.589 4.320 -0.025 0.000 0.198 412 K C 0.272 176.838 176.600 -0.057 0.000 1.174 412 K CA 0.286 56.573 56.287 0.000 0.000 0.951 412 K CB 0.960 33.440 32.500 -0.032 0.000 1.040 412 K HN 0.366 nan 8.250 nan 0.000 0.536 413 I N 3.556 124.059 120.570 -0.112 0.000 2.312 413 I HA 0.295 4.450 4.170 -0.025 0.000 0.290 413 I C -0.136 175.880 176.117 -0.168 0.000 1.008 413 I CA -0.414 60.769 61.300 -0.196 0.000 1.226 413 I CB 0.995 38.791 38.000 -0.340 0.000 1.371 413 I HN 0.078 nan 8.210 nan 0.000 0.468 414 M N 2.907 122.425 119.600 -0.138 0.000 3.331 414 M HA 0.484 4.949 4.480 -0.025 0.000 0.281 414 M C -0.074 176.165 176.300 -0.101 0.000 1.338 414 M CA -0.826 54.411 55.300 -0.105 0.000 0.827 414 M CB 1.417 34.010 32.600 -0.012 0.000 1.674 414 M HN 0.117 nan 8.290 nan 0.000 0.477 415 E N 1.276 121.436 120.200 -0.065 0.000 2.038 415 E HA 0.033 4.368 4.350 -0.025 0.000 0.195 415 E C -0.079 176.511 176.600 -0.017 0.000 1.000 415 E CA 1.539 57.908 56.400 -0.052 0.000 0.803 415 E CB 0.131 29.824 29.700 -0.012 0.000 0.750 415 E HN 0.319 nan 8.360 nan 0.000 0.448 416 K N -0.107 120.293 120.400 0.000 0.000 2.464 416 K HA 0.288 4.593 4.320 -0.025 0.000 0.253 416 K C -0.635 175.969 176.600 0.006 0.000 0.933 416 K CA -0.596 55.700 56.287 0.015 0.000 0.801 416 K CB 2.256 34.770 32.500 0.023 0.000 1.271 416 K HN 0.027 nan 8.250 nan 0.000 0.430 417 C N 1.239 120.543 119.300 0.007 0.000 2.657 417 C HA 0.187 4.632 4.460 -0.025 0.000 0.404 417 C C 1.905 176.895 174.990 0.001 0.000 1.291 417 C CA -0.174 58.845 59.018 0.002 0.000 2.218 417 C CB 0.039 27.783 27.740 0.006 0.000 2.687 417 C HN 0.872 nan 8.230 nan 0.000 0.634 418 T N -1.282 113.269 114.554 -0.006 0.000 3.044 418 T HA 0.319 4.654 4.350 -0.025 0.000 0.260 418 T C 0.102 174.786 174.700 -0.025 0.000 1.019 418 T CA 0.046 62.140 62.100 -0.010 0.000 0.921 418 T CB -0.142 68.722 68.868 -0.007 0.000 1.053 418 T HN 0.508 nan 8.240 nan 0.000 0.533 419 L N 1.169 122.373 121.223 -0.033 0.000 2.332 419 L HA 0.562 4.887 4.340 -0.025 0.000 0.269 419 L C -2.492 174.337 176.870 -0.068 0.000 1.016 419 L CA -3.055 51.745 54.840 -0.067 0.000 0.809 419 L CB 1.164 43.176 42.059 -0.077 0.000 1.280 419 L HN -0.160 nan 8.230 nan 0.000 0.447 420 P HA 0.055 nan 4.420 nan 0.000 0.264 420 P C -0.722 176.606 177.300 0.047 0.000 1.193 420 P CA 0.126 63.173 63.100 -0.087 0.000 0.763 420 P CB 0.284 31.801 31.700 -0.305 0.000 0.810 421 L N 2.691 124.010 121.223 0.160 0.000 2.439 421 L HA 0.102 4.426 4.340 -0.025 0.000 0.269 421 L C 1.511 178.627 176.870 0.410 0.000 1.179 421 L CA 0.274 55.239 54.840 0.208 0.000 0.828 421 L CB 0.249 42.375 42.059 0.111 0.000 1.106 421 L HN 0.428 nan 8.230 nan 0.000 0.467 422 T N 0.277 115.025 114.554 0.323 0.000 3.039 422 T HA 0.216 4.551 4.350 -0.025 0.000 0.250 422 T C 0.487 175.252 174.700 0.110 0.000 1.052 422 T CA 0.510 62.764 62.100 0.255 0.000 1.125 422 T CB 0.593 69.617 68.868 0.259 0.000 0.908 422 T HN 0.819 nan 8.240 nan 0.000 0.473 423 G N 0.453 109.318 108.800 0.110 0.000 2.632 423 G HA2 0.568 4.513 3.960 -0.025 0.000 0.292 423 G HA3 0.568 4.513 3.960 -0.025 0.000 0.292 423 G C -1.966 172.977 174.900 0.072 0.000 1.465 423 G CA -0.799 44.349 45.100 0.079 0.000 0.824 423 G HN 0.010 nan 8.290 nan 0.000 0.509 424 K N 0.661 121.103 120.400 0.070 0.000 2.185 424 K HA 0.418 4.723 4.320 -0.025 0.000 0.269 424 K C 0.037 176.684 176.600 0.077 0.000 0.987 424 K CA -0.447 55.879 56.287 0.065 0.000 0.865 424 K CB 1.239 33.774 32.500 0.058 0.000 1.090 424 K HN 0.632 nan 8.250 nan 0.000 0.450 425 Q N 0.614 120.462 119.800 0.079 0.000 2.431 425 Q HA -0.254 4.071 4.340 -0.025 0.000 0.344 425 Q C 0.298 176.340 176.000 0.069 0.000 1.384 425 Q CA 0.524 56.377 55.803 0.083 0.000 0.984 425 Q CB -1.867 26.914 28.738 0.072 0.000 1.204 425 Q HN 0.856 nan 8.270 nan 0.000 0.392 426 C N -4.955 114.385 119.300 0.066 0.000 3.580 426 C HA 0.453 4.898 4.460 -0.025 0.000 0.337 426 C C 0.883 175.905 174.990 0.053 0.000 1.412 426 C CA -0.450 58.603 59.018 0.059 0.000 1.797 426 C CB -0.153 27.625 27.740 0.064 0.000 2.470 426 C HN 0.286 nan 8.230 nan 0.000 0.691 427 V N 3.682 123.626 119.914 0.050 0.000 2.498 427 V HA 0.241 4.346 4.120 -0.025 0.000 0.279 427 V C 0.343 176.461 176.094 0.040 0.000 1.048 427 V CA 0.617 62.941 62.300 0.040 0.000 0.967 427 V CB 1.000 32.840 31.823 0.029 0.000 0.988 427 V HN 0.480 nan 8.190 nan 0.000 0.473 428 N N 2.763 121.485 118.700 0.036 0.000 2.294 428 N HA 0.213 4.938 4.740 -0.025 0.000 0.186 428 N C 0.388 175.921 175.510 0.039 0.000 1.107 428 N CA -0.108 52.965 53.050 0.038 0.000 0.884 428 N CB 0.567 39.074 38.487 0.033 0.000 1.030 428 N HN 0.643 nan 8.380 nan 0.000 0.482 429 R N 0.542 121.062 120.500 0.033 0.000 2.594 429 R HA 0.439 4.763 4.340 -0.025 0.000 0.265 429 R C -2.076 174.247 176.300 0.039 0.000 1.070 429 R CA -0.485 55.639 56.100 0.041 0.000 0.909 429 R CB 1.154 31.466 30.300 0.020 0.000 1.243 429 R HN -0.083 nan 8.270 nan 0.000 0.455 430 I N 5.073 125.688 120.570 0.074 0.000 2.406 430 I HA 0.423 4.577 4.170 -0.025 0.000 0.290 430 I C -0.418 175.737 176.117 0.063 0.000 0.999 430 I CA -0.781 60.561 61.300 0.070 0.000 1.124 430 I CB 2.035 40.101 38.000 0.110 0.000 1.289 430 I HN 0.437 nan 8.210 nan 0.000 0.441 431 I N 5.665 126.244 120.570 0.016 0.000 2.389 431 I HA 0.390 4.545 4.170 -0.025 0.000 0.288 431 I C 0.231 176.343 176.117 -0.008 0.000 0.999 431 I CA -0.213 61.081 61.300 -0.009 0.000 1.129 431 I CB 1.968 39.946 38.000 -0.038 0.000 1.288 431 I HN 0.642 nan 8.210 nan 0.000 0.444 432 T N 0.956 115.515 114.554 0.008 0.000 2.807 432 T HA 0.282 4.617 4.350 -0.025 0.000 0.277 432 T C 0.838 175.520 174.700 -0.030 0.000 1.006 432 T CA -0.617 61.498 62.100 0.025 0.000 1.006 432 T CB 1.690 70.652 68.868 0.156 0.000 1.274 432 T HN 0.608 nan 8.240 nan 0.000 0.569 433 E N 0.443 120.602 120.200 -0.068 0.000 2.418 433 E HA -0.037 4.298 4.350 -0.025 0.000 0.197 433 E C 1.049 177.482 176.600 -0.279 0.000 1.026 433 E CA 0.831 57.088 56.400 -0.239 0.000 0.862 433 E CB -0.119 29.418 29.700 -0.272 0.000 0.799 433 E HN 0.791 nan 8.360 nan 0.000 0.518 434 K N -0.076 120.272 120.400 -0.086 0.000 2.365 434 K HA 0.411 4.716 4.320 -0.025 0.000 0.195 434 K C 0.685 177.274 176.600 -0.018 0.000 1.079 434 K CA 0.626 56.883 56.287 -0.050 0.000 0.979 434 K CB 1.139 33.522 32.500 -0.195 0.000 0.929 434 K HN 0.145 nan 8.250 nan 0.000 0.523 435 A N 0.612 123.409 122.820 -0.038 0.000 2.602 435 A HA 0.626 4.931 4.320 -0.025 0.000 0.290 435 A C -1.607 175.857 177.584 -0.200 0.000 1.114 435 A CA -0.613 51.301 52.037 -0.204 0.000 0.683 435 A CB 1.695 20.381 19.000 -0.523 0.000 1.281 435 A HN -0.110 nan 8.150 nan 0.000 0.416 436 V N 0.688 120.414 119.914 -0.313 0.000 2.483 436 V HA 0.578 4.683 4.120 -0.025 0.000 0.297 436 V C -1.521 174.386 176.094 -0.313 0.000 1.027 436 V CA -0.164 62.015 62.300 -0.201 0.000 0.855 436 V CB 0.996 32.757 31.823 -0.104 0.000 0.995 436 V HN 0.649 nan 8.190 nan 0.000 0.424 437 F N 2.003 121.916 119.950 -0.062 0.000 2.482 437 F HA 0.543 5.055 4.527 -0.025 0.000 0.331 437 F C 0.426 176.202 175.800 -0.041 0.000 1.115 437 F CA -0.686 57.272 58.000 -0.069 0.000 0.955 437 F CB 1.546 40.484 39.000 -0.103 0.000 1.136 437 F HN 0.383 nan 8.300 nan 0.000 0.452 438 D N 1.901 122.405 120.400 0.174 0.000 2.264 438 D HA 0.478 5.103 4.640 -0.025 0.000 0.249 438 D C -0.718 175.649 176.300 0.112 0.000 1.070 438 D CA 0.090 54.154 54.000 0.108 0.000 0.912 438 D CB 2.001 42.849 40.800 0.079 0.000 1.193 438 D HN 0.111 nan 8.370 nan 0.000 0.427 439 V N 1.906 121.863 119.914 0.073 0.000 2.540 439 V HA 0.318 4.423 4.120 -0.025 0.000 0.302 439 V C -0.425 175.709 176.094 0.066 0.000 1.035 439 V CA -0.821 61.508 62.300 0.049 0.000 0.873 439 V CB 2.050 33.887 31.823 0.024 0.000 0.992 439 V HN 0.452 nan 8.190 nan 0.000 0.428 440 D N 2.120 122.572 120.400 0.087 0.000 2.505 440 D HA 0.404 5.029 4.640 -0.025 0.000 0.249 440 D C 1.233 177.645 176.300 0.187 0.000 1.082 440 D CA -0.735 53.332 54.000 0.111 0.000 0.839 440 D CB 1.638 42.501 40.800 0.105 0.000 1.317 440 D HN 0.560 nan 8.370 nan 0.000 0.497 441 R N 2.635 123.223 120.500 0.147 0.000 2.193 441 R HA -0.057 4.268 4.340 -0.025 0.000 0.229 441 R C 0.706 177.055 176.300 0.082 0.000 1.110 441 R CA 0.769 56.958 56.100 0.149 0.000 0.988 441 R CB 0.024 30.362 30.300 0.063 0.000 0.871 441 R HN 0.186 nan 8.270 nan 0.000 0.458 442 K N 1.378 121.831 120.400 0.088 0.000 2.240 442 K HA 0.034 4.339 4.320 -0.025 0.000 0.202 442 K C 1.794 178.501 176.600 0.179 0.000 1.053 442 K CA 1.435 57.729 56.287 0.012 0.000 0.973 442 K CB 0.191 32.693 32.500 0.003 0.000 0.924 442 K HN 0.408 nan 8.250 nan 0.000 0.477 443 K N -0.319 120.213 120.400 0.219 0.000 2.379 443 K HA 0.234 4.539 4.320 -0.025 0.000 0.194 443 K C 0.871 177.610 176.600 0.232 0.000 1.031 443 K CA 0.579 57.004 56.287 0.231 0.000 1.037 443 K CB 0.412 32.988 32.500 0.127 0.000 0.824 443 K HN 0.093 nan 8.250 nan 0.000 0.516 444 G N 1.530 110.467 108.800 0.228 0.000 2.466 444 G HA2 -0.213 3.731 3.960 -0.025 0.000 0.218 444 G HA3 -0.213 3.731 3.960 -0.025 0.000 0.218 444 G C -0.929 173.940 174.900 -0.052 0.000 1.237 444 G CA -0.444 44.583 45.100 -0.122 0.000 0.954 444 G HN 0.105 nan 8.290 nan 0.000 0.580 445 L N 0.749 121.913 121.223 -0.097 0.000 2.350 445 L HA 0.625 4.950 4.340 -0.025 0.000 0.275 445 L C 0.226 177.203 176.870 0.178 0.000 1.099 445 L CA -0.340 54.492 54.840 -0.014 0.000 0.808 445 L CB 1.520 43.445 42.059 -0.223 0.000 1.149 445 L HN 0.591 nan 8.230 nan 0.000 0.442 446 T N 3.586 118.295 114.554 0.258 0.000 2.906 446 T HA 0.286 4.621 4.350 -0.025 0.000 0.302 446 T C -0.498 174.378 174.700 0.294 0.000 1.002 446 T CA -0.446 61.815 62.100 0.268 0.000 0.988 446 T CB 1.367 70.328 68.868 0.155 0.000 0.972 446 T HN 0.270 nan 8.240 nan 0.000 0.447 447 L N 6.172 127.565 121.223 0.282 0.000 2.433 447 L HA 0.392 4.717 4.340 -0.025 0.000 0.275 447 L C 0.886 177.721 176.870 -0.058 0.000 1.128 447 L CA 0.353 55.134 54.840 -0.098 0.000 0.875 447 L CB -0.227 41.758 42.059 -0.122 0.000 1.171 447 L HN 0.780 nan 8.230 nan 0.000 0.463 448 I N 0.095 120.596 120.570 -0.115 0.000 4.187 448 I HA 0.438 4.593 4.170 -0.025 0.000 0.326 448 I C 0.048 176.118 176.117 -0.078 0.000 1.302 448 I CA -0.142 61.124 61.300 -0.056 0.000 1.196 448 I CB 0.234 38.221 38.000 -0.022 0.000 1.095 448 I HN 0.499 nan 8.210 nan 0.000 0.411 449 E N 1.608 121.729 120.200 -0.132 0.000 2.383 449 E HA 0.637 4.972 4.350 -0.025 0.000 0.275 449 E C -1.870 174.655 176.600 -0.125 0.000 0.918 449 E CA -0.866 55.477 56.400 -0.096 0.000 0.764 449 E CB 3.412 33.075 29.700 -0.061 0.000 1.252 449 E HN 0.075 nan 8.360 nan 0.000 0.449 450 L N 1.885 123.066 121.223 -0.069 0.000 2.438 450 L HA 0.373 4.698 4.340 -0.025 0.000 0.270 450 L C -1.399 175.489 176.870 0.030 0.000 0.972 450 L CA -0.415 54.396 54.840 -0.047 0.000 0.831 450 L CB 1.466 43.487 42.059 -0.063 0.000 1.273 450 L HN 0.704 nan 8.230 nan 0.000 0.405 451 W N 5.591 126.824 121.300 -0.111 0.000 2.322 451 W HA 0.158 4.802 4.660 -0.027 0.000 0.328 451 W C 0.225 176.704 176.519 -0.067 0.000 1.395 451 W CA -0.128 57.166 57.345 -0.084 0.000 1.267 451 W CB 0.733 30.145 29.460 -0.080 0.000 1.259 451 W HN 0.879 nan 8.180 nan 0.000 0.560 452 E N 4.226 123.934 120.200 -0.819 0.000 2.465 452 E HA 0.275 4.610 4.350 -0.025 0.000 0.260 452 E C 0.938 177.246 176.600 -0.485 0.000 0.980 452 E CA 0.976 57.014 56.400 -0.604 0.000 0.927 452 E CB 0.642 29.960 29.700 -0.636 0.000 0.934 452 E HN 0.728 nan 8.360 nan 0.000 0.459 453 G N 2.913 111.582 108.800 -0.218 0.000 2.232 453 G HA2 -0.235 3.710 3.960 -0.025 0.000 0.226 453 G HA3 -0.235 3.710 3.960 -0.025 0.000 0.226 453 G C 0.030 174.923 174.900 -0.011 0.000 0.996 453 G CA 0.058 45.101 45.100 -0.095 0.000 0.626 453 G HN 0.458 nan 8.290 nan 0.000 0.509 454 L N 1.388 122.614 121.223 0.004 0.000 2.334 454 L HA 0.772 5.097 4.340 -0.025 0.000 0.270 454 L C 0.986 177.860 176.870 0.007 0.000 1.018 454 L CA -0.337 54.526 54.840 0.039 0.000 0.811 454 L CB 1.967 44.076 42.059 0.083 0.000 1.271 454 L HN 0.369 nan 8.230 nan 0.000 0.443 455 T N -2.611 111.953 114.554 0.016 0.000 2.940 455 T HA 0.332 4.667 4.350 -0.025 0.000 0.288 455 T C 0.930 175.657 174.700 0.045 0.000 1.045 455 T CA -0.778 61.334 62.100 0.020 0.000 1.018 455 T CB 1.737 70.618 68.868 0.023 0.000 1.151 455 T HN 0.167 nan 8.240 nan 0.000 0.529 456 V N 0.922 120.876 119.914 0.067 0.000 2.392 456 V HA -0.154 3.951 4.120 -0.025 0.000 0.249 456 V C 2.456 178.657 176.094 0.179 0.000 1.059 456 V CA 2.587 64.972 62.300 0.143 0.000 1.051 456 V CB -0.951 30.957 31.823 0.141 0.000 0.658 456 V HN 1.106 nan 8.190 nan 0.000 0.455 457 D N -0.463 119.999 120.400 0.104 0.000 2.178 457 D HA -0.179 4.446 4.640 -0.025 0.000 0.202 457 D C 1.771 178.131 176.300 0.098 0.000 0.974 457 D CA 1.114 55.170 54.000 0.093 0.000 0.841 457 D CB -0.078 40.753 40.800 0.052 0.000 0.953 457 D HN 0.395 nan 8.370 nan 0.000 0.478 458 D N 0.005 120.447 120.400 0.071 0.000 2.144 458 D HA -0.129 4.496 4.640 -0.025 0.000 0.199 458 D C 2.014 178.341 176.300 0.045 0.000 0.984 458 D CA 0.583 54.611 54.000 0.046 0.000 0.834 458 D CB -0.013 40.799 40.800 0.020 0.000 0.955 458 D HN 0.323 nan 8.370 nan 0.000 0.465 459 I N 1.108 121.722 120.570 0.073 0.000 2.286 459 I HA -0.156 3.999 4.170 -0.025 0.000 0.245 459 I C 2.210 178.485 176.117 0.262 0.000 1.104 459 I CA 0.818 62.153 61.300 0.059 0.000 1.397 459 I CB -0.804 37.187 38.000 -0.014 0.000 1.072 459 I HN -0.016 nan 8.210 nan 0.000 0.417 460 K N 1.060 121.696 120.400 0.393 0.000 2.074 460 K HA -0.200 4.104 4.320 -0.025 0.000 0.209 460 K C 2.012 178.737 176.600 0.210 0.000 1.048 460 K CA 1.480 57.981 56.287 0.357 0.000 0.926 460 K CB -0.085 32.512 32.500 0.162 0.000 0.713 460 K HN 0.331 nan 8.250 nan 0.000 0.444 461 K N -0.170 120.328 120.400 0.163 0.000 2.288 461 K HA -0.008 4.297 4.320 -0.025 0.000 0.201 461 K C 1.485 178.228 176.600 0.238 0.000 1.048 461 K CA 0.869 57.253 56.287 0.162 0.000 0.956 461 K CB 0.217 32.784 32.500 0.111 0.000 0.746 461 K HN -0.052 nan 8.250 nan 0.000 0.461 462 S N 0.265 116.081 115.700 0.193 0.000 2.554 462 S HA 0.081 4.536 4.470 -0.025 0.000 0.226 462 S C -0.114 174.652 174.600 0.277 0.000 0.980 462 S CA -0.110 58.252 58.200 0.270 0.000 0.939 462 S CB 0.815 64.062 63.200 0.078 0.000 0.832 462 S HN 0.116 nan 8.310 nan 0.000 0.486 463 T N 0.702 115.272 114.554 0.026 0.000 2.824 463 T HA 0.455 4.790 4.350 -0.025 0.000 0.282 463 T C 0.846 175.184 174.700 -0.603 0.000 0.993 463 T CA -0.650 61.356 62.100 -0.157 0.000 0.967 463 T CB 1.712 70.652 68.868 0.120 0.000 0.960 463 T HN 0.139 nan 8.240 nan 0.000 0.441 464 G N 0.994 109.337 108.800 -0.762 0.000 3.327 464 G HA2 0.397 4.342 3.960 -0.025 0.000 0.240 464 G HA3 0.397 4.342 3.960 -0.025 0.000 0.240 464 G C 0.492 175.287 174.900 -0.176 0.000 1.222 464 G CA -0.180 44.606 45.100 -0.524 0.000 0.871 464 G HN 1.021 nan 8.290 nan 0.000 0.525 465 C N -2.135 117.087 119.300 -0.130 0.000 3.320 465 C HA 0.609 5.054 4.460 -0.025 0.000 0.335 465 C C -0.845 174.134 174.990 -0.017 0.000 1.430 465 C CA -1.436 57.532 59.018 -0.084 0.000 1.271 465 C CB 1.361 29.019 27.740 -0.138 0.000 1.609 465 C HN 0.125 nan 8.230 nan 0.000 0.457 466 D N 0.667 121.031 120.400 -0.061 0.000 2.358 466 D HA 0.692 5.317 4.640 -0.025 0.000 0.244 466 D C -0.455 175.846 176.300 0.001 0.000 1.163 466 D CA 0.456 54.387 54.000 -0.116 0.000 0.945 466 D CB 0.747 41.466 40.800 -0.136 0.000 1.152 466 D HN 0.742 nan 8.370 nan 0.000 0.451 467 F N -2.280 117.651 119.950 -0.033 0.000 2.678 467 F HA 0.652 5.164 4.527 -0.024 0.000 0.308 467 F C -0.911 174.921 175.800 0.053 0.000 1.118 467 F CA -1.517 56.485 58.000 0.004 0.000 0.959 467 F CB 0.709 39.761 39.000 0.088 0.000 1.305 467 F HN 0.309 nan 8.300 nan 0.000 0.443 468 A N 1.359 124.324 122.820 0.241 0.000 2.304 468 A HA 0.723 5.027 4.320 -0.025 0.000 0.271 468 A C -0.939 176.823 177.584 0.297 0.000 1.091 468 A CA -0.681 51.453 52.037 0.162 0.000 0.812 468 A CB 0.957 20.031 19.000 0.123 0.000 1.056 468 A HN 0.832 nan 8.150 nan 0.000 0.489 469 V N 1.942 121.969 119.914 0.188 0.000 2.357 469 V HA 0.327 4.432 4.120 -0.025 0.000 0.284 469 V C 0.781 176.940 176.094 0.109 0.000 1.018 469 V CA -0.373 62.042 62.300 0.191 0.000 0.841 469 V CB 1.319 33.235 31.823 0.155 0.000 0.991 469 V HN 1.045 nan 8.190 nan 0.000 0.437 470 S N 6.289 122.044 115.700 0.092 0.000 2.563 470 S HA 0.129 4.584 4.470 -0.025 0.000 0.284 470 S C -1.311 173.312 174.600 0.039 0.000 1.331 470 S CA -0.407 57.827 58.200 0.057 0.000 1.047 470 S CB 0.963 64.186 63.200 0.037 0.000 0.859 470 S HN 0.628 nan 8.310 nan 0.000 0.514 471 P HA 0.095 nan 4.420 nan 0.000 0.225 471 P C 0.142 177.449 177.300 0.012 0.000 1.156 471 P CA 0.791 63.903 63.100 0.020 0.000 0.787 471 P CB 0.203 31.914 31.700 0.018 0.000 0.802 472 K N -0.226 120.181 120.400 0.011 0.000 2.814 472 K HA 0.225 4.530 4.320 -0.025 0.000 0.213 472 K C 0.006 176.604 176.600 -0.003 0.000 1.113 472 K CA -0.927 55.362 56.287 0.003 0.000 1.145 472 K CB -0.652 31.850 32.500 0.003 0.000 0.948 472 K HN 0.119 nan 8.250 nan 0.000 0.464 473 L N 2.339 123.560 121.223 -0.002 0.000 2.513 473 L HA 0.141 4.466 4.340 -0.025 0.000 0.272 473 L C 0.092 176.946 176.870 -0.026 0.000 1.187 473 L CA 0.296 55.127 54.840 -0.014 0.000 0.895 473 L CB 0.048 42.103 42.059 -0.006 0.000 1.147 473 L HN 0.264 nan 8.230 nan 0.000 0.483 474 I N 2.586 123.135 120.570 -0.036 0.000 2.957 474 I HA 0.691 4.846 4.170 -0.025 0.000 0.310 474 I C -2.497 173.585 176.117 -0.058 0.000 1.063 474 I CA -2.880 58.394 61.300 -0.044 0.000 1.033 474 I CB 1.642 39.619 38.000 -0.038 0.000 1.230 474 I HN 0.390 nan 8.210 nan 0.000 0.447 475 P HA 0.098 nan 4.420 nan 0.000 0.269 475 P C -0.460 176.796 177.300 -0.073 0.000 1.209 475 P CA -0.153 62.879 63.100 -0.114 0.000 0.776 475 P CB 0.466 32.073 31.700 -0.155 0.000 0.876 476 M N 3.311 122.892 119.600 -0.032 0.000 2.269 476 M HA -0.006 4.459 4.480 -0.025 0.000 0.350 476 M C 0.266 176.607 176.300 0.069 0.000 1.429 476 M CA 0.254 55.597 55.300 0.071 0.000 1.063 476 M CB 0.204 32.965 32.600 0.269 0.000 1.841 476 M HN 0.309 nan 8.290 nan 0.000 0.455 477 Q N 3.468 123.292 119.800 0.040 0.000 2.382 477 Q HA 0.296 4.621 4.340 -0.025 0.000 0.229 477 Q C -0.936 175.096 176.000 0.055 0.000 1.006 477 Q CA -0.014 55.805 55.803 0.026 0.000 0.916 477 Q CB 1.152 29.890 28.738 -0.001 0.000 1.235 477 Q HN 0.607 nan 8.270 nan 0.000 0.512 478 Q N 0.560 120.379 119.800 0.031 0.000 2.289 478 Q HA 0.297 4.622 4.340 -0.025 0.000 0.270 478 Q C -0.886 175.099 176.000 -0.026 0.000 1.038 478 Q CA -0.595 55.214 55.803 0.009 0.000 0.812 478 Q CB 2.657 31.428 28.738 0.056 0.000 1.300 478 Q HN 0.490 nan 8.270 nan 0.000 0.427 479 V N 2.556 122.425 119.914 -0.075 0.000 2.872 479 V HA -0.067 4.038 4.120 -0.025 0.000 0.307 479 V C 1.231 177.315 176.094 -0.017 0.000 1.072 479 V CA 1.249 63.523 62.300 -0.042 0.000 1.148 479 V CB 1.055 32.845 31.823 -0.056 0.000 0.954 479 V HN 0.941 nan 8.190 nan 0.000 0.490 480 T N 4.565 119.138 114.554 0.032 0.000 2.708 480 T HA -0.092 4.242 4.350 -0.025 0.000 0.266 480 T C 0.971 175.724 174.700 0.088 0.000 1.037 480 T CA 1.714 63.843 62.100 0.049 0.000 1.146 480 T CB -0.329 68.568 68.868 0.048 0.000 0.865 480 T HN 0.943 nan 8.240 nan 0.000 0.435 481 T N 0.000 114.647 114.554 0.155 0.000 3.816 481 T HA 0.000 4.335 4.350 -0.025 0.000 0.228 481 T CA 0.000 62.248 62.100 0.246 0.000 1.349 481 T CB 0.000 69.129 68.868 0.435 0.000 0.612 481 T HN 0.000 nan 8.240 nan 0.000 0.658