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 2o3j_1_A DATA FIRST_RESID 3 DATA SEQUENCE DQVFGKVSKV VCVGAGYVGG PTCAMIAHKC PHITVTVVDM NTAKIAEWNS DATA SEQUENCE DKLPIYEPGL DEIVFAARGR NLFFSSDIPK AIAEADLIFI SVNTPTKMYG DATA SEQUENCE RGKGMAPDLK YVESVSRTIA QYAGGPKIVV EKSTVPVKAA ESIGCILREA DATA SEQUENCE QKXXXXLKFQ VLSNPEFLAE GTAMKDLANP DRVLIGGESS PEGLQAVAEL DATA SEQUENCE VRIYENWVPR NRIITTNTWS SELSKLVANA FLAQRISSIN SISAVCEATG DATA SEQUENCE AEISEVAHAV GYDTRIGSKF LQASVGFGGS CFQKDVLSLV YLCESLNLPQ DATA SEQUENCE VADYWQGVIN INNWQRRRFA DKIIAELFNT VTDKKIAIFG FAFKKNTGDT DATA SEQUENCE RESSAIHVIK HLMEEHAKLS VYDPKVQKSQ MLNDLASVTS AQDVERLITV DATA SEQUENCE ESDPYAAARG AHAIVVLTEW DEFVELNYSQ IHNDMQHPAA IFDGRLILDQ DATA SEQUENCE KALREIGFRT FAIGTSPDQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.260 176.300 -0.067 0.000 2.045 3 D CA 0.000 53.970 54.000 -0.049 0.000 0.868 3 D CB 0.000 40.773 40.800 -0.044 0.000 0.688 4 Q N 1.073 120.831 119.800 -0.071 0.000 2.349 4 Q HA 0.422 4.746 4.340 -0.027 0.000 0.254 4 Q C 0.358 176.268 176.000 -0.151 0.000 0.980 4 Q CA -0.219 55.536 55.803 -0.080 0.000 0.924 4 Q CB 1.522 30.233 28.738 -0.044 0.000 1.209 4 Q HN 0.155 nan 8.270 nan 0.000 0.445 5 V N 3.909 123.665 119.914 -0.262 0.000 2.685 5 V HA 0.172 4.275 4.120 -0.027 0.000 0.244 5 V C -0.084 175.616 176.094 -0.656 0.000 1.054 5 V CA 0.596 62.581 62.300 -0.525 0.000 1.076 5 V CB -0.042 31.318 31.823 -0.771 0.000 0.725 5 V HN 0.567 nan 8.190 nan 0.000 0.467 6 F N 0.847 120.769 119.950 -0.047 0.000 2.375 6 F HA 0.749 5.259 4.527 -0.028 0.000 0.361 6 F C 0.818 176.596 175.800 -0.035 0.000 1.117 6 F CA -0.833 57.139 58.000 -0.048 0.000 1.037 6 F CB 0.649 39.620 39.000 -0.048 0.000 1.192 6 F HN 0.019 nan 8.300 nan 0.000 0.452 7 G N 1.913 110.778 108.800 0.109 0.000 2.531 7 G HA2 0.288 4.232 3.960 -0.027 0.000 0.281 7 G HA3 0.288 4.232 3.960 -0.027 0.000 0.281 7 G C -0.726 174.214 174.900 0.067 0.000 1.382 7 G CA -0.939 44.198 45.100 0.061 0.000 1.045 7 G HN 0.490 nan 8.290 nan 0.000 0.533 8 K N -0.754 119.674 120.400 0.047 0.000 2.448 8 K HA 0.234 4.538 4.320 -0.027 0.000 0.278 8 K C -0.249 176.378 176.600 0.044 0.000 1.009 8 K CA -0.194 56.122 56.287 0.049 0.000 0.995 8 K CB 0.531 33.062 32.500 0.051 0.000 0.917 8 K HN 0.063 nan 8.250 nan 0.000 0.481 9 V N 4.195 124.130 119.914 0.035 0.000 2.455 9 V HA -0.004 4.099 4.120 -0.027 0.000 0.273 9 V C 0.996 177.099 176.094 0.016 0.000 1.045 9 V CA 0.317 62.624 62.300 0.012 0.000 0.976 9 V CB 1.088 32.899 31.823 -0.020 0.000 0.993 9 V HN 1.004 nan 8.190 nan 0.000 0.475 10 S N 3.420 119.125 115.700 0.009 0.000 2.526 10 S HA 0.314 4.767 4.470 -0.027 0.000 0.220 10 S C 0.406 174.993 174.600 -0.021 0.000 1.017 10 S CA -0.379 57.822 58.200 0.002 0.000 0.930 10 S CB 0.216 63.432 63.200 0.027 0.000 0.856 10 S HN 0.630 nan 8.310 nan 0.000 0.497 11 K N 1.645 122.033 120.400 -0.020 0.000 2.579 11 K HA 0.609 4.912 4.320 -0.027 0.000 0.250 11 K C -1.729 174.856 176.600 -0.025 0.000 0.952 11 K CA -0.426 55.846 56.287 -0.024 0.000 0.857 11 K CB 2.413 34.898 32.500 -0.024 0.000 1.123 11 K HN 0.029 nan 8.250 nan 0.000 0.433 12 V N 3.517 123.421 119.914 -0.016 0.000 2.435 12 V HA 0.406 4.509 4.120 -0.027 0.000 0.290 12 V C -0.256 175.851 176.094 0.023 0.000 1.030 12 V CA -0.840 61.467 62.300 0.011 0.000 0.881 12 V CB 1.842 33.705 31.823 0.066 0.000 0.983 12 V HN 0.418 nan 8.190 nan 0.000 0.445 13 V N 3.620 123.559 119.914 0.041 0.000 2.628 13 V HA 0.439 4.543 4.120 -0.027 0.000 0.306 13 V C -0.381 175.794 176.094 0.136 0.000 1.045 13 V CA -0.576 61.750 62.300 0.044 0.000 0.905 13 V CB 1.984 33.814 31.823 0.012 0.000 0.997 13 V HN 0.988 nan 8.190 nan 0.000 0.436 14 C N 5.309 124.656 119.300 0.079 0.000 2.301 14 C HA 0.681 5.124 4.460 -0.027 0.000 0.323 14 C C -0.114 174.895 174.990 0.033 0.000 1.265 14 C CA -0.424 58.652 59.018 0.096 0.000 1.503 14 C CB 0.284 28.016 27.740 -0.013 0.000 2.195 14 C HN 0.693 nan 8.230 nan 0.000 0.477 15 V N 6.273 126.223 119.914 0.060 0.000 2.389 15 V HA 0.723 4.826 4.120 -0.027 0.000 0.264 15 V C 0.825 176.936 176.094 0.027 0.000 1.049 15 V CA 1.018 63.340 62.300 0.036 0.000 0.932 15 V CB 0.316 32.166 31.823 0.046 0.000 1.011 15 V HN 1.407 nan 8.190 nan 0.000 0.475 16 G N 4.052 112.859 108.800 0.010 0.000 3.393 16 G HA2 0.310 4.253 3.960 -0.027 0.000 0.676 16 G HA3 0.310 4.253 3.960 -0.027 0.000 0.676 16 G C -0.246 174.660 174.900 0.009 0.000 1.224 16 G CA -0.335 44.771 45.100 0.009 0.000 1.109 16 G HN 1.353 nan 8.290 nan 0.000 0.519 17 A N 1.540 124.390 122.820 0.050 0.000 2.842 17 A HA 0.785 5.089 4.320 -0.027 0.000 0.298 17 A C 1.348 179.086 177.584 0.255 0.000 1.293 17 A CA 1.129 53.214 52.037 0.079 0.000 0.959 17 A CB -0.166 18.919 19.000 0.142 0.000 1.119 17 A HN 1.954 nan 8.150 nan 0.000 0.564 18 G N -1.692 107.208 108.800 0.168 0.000 2.695 18 G HA2 0.324 4.268 3.960 -0.027 0.000 0.213 18 G HA3 0.324 4.268 3.960 -0.027 0.000 0.213 18 G C 0.544 175.573 174.900 0.215 0.000 1.406 18 G CA -0.250 44.975 45.100 0.209 0.000 1.049 18 G HN 0.248 nan 8.290 nan 0.000 0.573 19 Y N -1.047 119.325 120.300 0.120 0.000 2.352 19 Y HA -0.037 4.498 4.550 -0.026 0.000 0.292 19 Y C 2.780 178.716 175.900 0.060 0.000 1.136 19 Y CA 1.154 59.315 58.100 0.103 0.000 1.227 19 Y CB 0.303 38.800 38.460 0.061 0.000 0.991 19 Y HN 0.054 nan 8.280 nan 0.000 0.545 20 V N -1.772 118.254 119.914 0.188 0.000 2.436 20 V HA -0.063 4.041 4.120 -0.027 0.000 0.240 20 V C 2.401 178.485 176.094 -0.016 0.000 1.040 20 V CA 1.585 63.934 62.300 0.080 0.000 1.052 20 V CB -1.071 30.773 31.823 0.035 0.000 0.707 20 V HN 0.444 nan 8.190 nan 0.000 0.469 21 G N 0.253 109.032 108.800 -0.034 0.000 2.404 21 G HA2 -0.101 3.843 3.960 -0.027 0.000 0.215 21 G HA3 -0.101 3.843 3.960 -0.027 0.000 0.215 21 G C 1.608 176.387 174.900 -0.202 0.000 1.174 21 G CA 1.007 46.033 45.100 -0.122 0.000 0.780 21 G HN 0.555 nan 8.290 nan 0.000 0.537 22 G N 1.700 110.379 108.800 -0.202 0.000 2.511 22 G HA2 -0.102 3.842 3.960 -0.027 0.000 0.216 22 G HA3 -0.102 3.842 3.960 -0.027 0.000 0.216 22 G C 0.090 174.800 174.900 -0.316 0.000 1.218 22 G CA 1.327 46.151 45.100 -0.459 0.000 0.788 22 G HN 0.388 nan 8.290 nan 0.000 0.560 23 P HA -0.072 nan 4.420 nan 0.000 0.216 23 P C 2.060 179.285 177.300 -0.124 0.000 1.153 23 P CA 1.951 64.996 63.100 -0.091 0.000 0.858 23 P CB -0.245 31.440 31.700 -0.025 0.000 0.789 24 T N -1.575 112.898 114.554 -0.136 0.000 2.737 24 T HA -0.155 4.178 4.350 -0.027 0.000 0.265 24 T C 1.901 176.462 174.700 -0.231 0.000 1.038 24 T CA 1.298 63.305 62.100 -0.155 0.000 1.144 24 T CB -1.299 67.439 68.868 -0.217 0.000 0.866 24 T HN 0.144 nan 8.240 nan 0.000 0.434 25 C N 1.591 120.717 119.300 -0.289 0.000 2.432 25 C HA 0.034 4.478 4.460 -0.027 0.000 0.277 25 C C 3.226 178.055 174.990 -0.268 0.000 1.249 25 C CA 0.458 59.302 59.018 -0.291 0.000 1.725 25 C CB -1.412 26.127 27.740 -0.336 0.000 2.028 25 C HN 0.664 nan 8.230 nan 0.000 0.477 26 A N -0.266 122.400 122.820 -0.257 0.000 1.883 26 A HA -0.275 4.029 4.320 -0.027 0.000 0.217 26 A C 2.051 179.509 177.584 -0.210 0.000 1.186 26 A CA 2.366 54.276 52.037 -0.212 0.000 0.624 26 A CB -0.663 18.239 19.000 -0.164 0.000 0.822 26 A HN 0.504 nan 8.150 nan 0.000 0.444 27 M N 0.099 119.555 119.600 -0.241 0.000 2.108 27 M HA -0.074 4.389 4.480 -0.027 0.000 0.261 27 M C 1.849 177.833 176.300 -0.527 0.000 1.066 27 M CA 1.467 56.550 55.300 -0.361 0.000 1.107 27 M CB -0.675 31.720 32.600 -0.342 0.000 1.356 27 M HN 0.445 nan 8.290 nan 0.000 0.406 28 I N -0.519 119.815 120.570 -0.392 0.000 2.179 28 I HA -0.294 3.859 4.170 -0.027 0.000 0.242 28 I C 2.346 178.314 176.117 -0.247 0.000 1.088 28 I CA 1.313 62.431 61.300 -0.304 0.000 1.357 28 I CB -0.882 37.034 38.000 -0.140 0.000 1.051 28 I HN 0.358 nan 8.210 nan 0.000 0.409 29 A N 0.079 122.774 122.820 -0.209 0.000 1.933 29 A HA -0.302 4.002 4.320 -0.027 0.000 0.218 29 A C 2.186 179.688 177.584 -0.137 0.000 1.175 29 A CA 2.162 54.097 52.037 -0.170 0.000 0.628 29 A CB -0.972 17.920 19.000 -0.180 0.000 0.814 29 A HN 0.567 nan 8.150 nan 0.000 0.444 30 H N -0.307 118.616 119.070 -0.245 0.000 2.357 30 H HA 0.035 4.601 4.556 0.017 0.000 0.301 30 H C 1.572 176.778 175.328 -0.205 0.000 1.082 30 H CA 1.858 57.779 56.048 -0.212 0.000 1.342 30 H CB 0.134 29.755 29.762 -0.235 0.000 1.389 30 H HN 0.212 nan 8.280 nan 0.000 0.511 31 K N -0.414 119.752 120.400 -0.390 0.000 2.400 31 K HA 0.148 4.451 4.320 -0.027 0.000 0.194 31 K C -0.069 176.467 176.600 -0.106 0.000 1.033 31 K CA 0.339 56.423 56.287 -0.339 0.000 1.021 31 K CB 0.295 32.521 32.500 -0.457 0.000 0.808 31 K HN 0.248 nan 8.250 nan 0.000 0.505 32 C N 2.102 121.324 119.300 -0.130 0.000 3.335 32 C HA 0.284 4.728 4.460 -0.027 0.000 0.217 32 C C -1.850 173.039 174.990 -0.169 0.000 1.330 32 C CA -1.280 57.666 59.018 -0.120 0.000 1.470 32 C CB 0.721 28.304 27.740 -0.262 0.000 1.806 32 C HN 0.110 nan 8.230 nan 0.000 0.468 33 P HA -0.157 nan 4.420 nan 0.000 0.225 33 P C 1.466 178.801 177.300 0.057 0.000 1.148 33 P CA 1.372 64.482 63.100 0.017 0.000 0.779 33 P CB -0.197 31.526 31.700 0.038 0.000 0.780 34 H N -1.484 117.579 119.070 -0.011 0.000 2.547 34 H HA 0.127 4.651 4.556 -0.054 0.000 0.272 34 H C 0.540 175.873 175.328 0.008 0.000 0.989 34 H CA 0.179 56.227 56.048 0.001 0.000 1.214 34 H CB -0.799 28.965 29.762 0.004 0.000 1.389 34 H HN 0.156 nan 8.280 nan 0.000 0.577 35 I N 2.533 122.906 120.570 -0.329 0.000 2.354 35 I HA 0.104 4.258 4.170 -0.027 0.000 0.292 35 I C -0.032 176.032 176.117 -0.088 0.000 0.989 35 I CA -0.635 60.541 61.300 -0.208 0.000 1.188 35 I CB 1.835 39.667 38.000 -0.280 0.000 1.342 35 I HN -0.087 nan 8.210 nan 0.000 0.457 36 T N 5.923 120.465 114.554 -0.020 0.000 2.752 36 T HA 0.276 4.610 4.350 -0.027 0.000 0.295 36 T C -0.037 174.674 174.700 0.019 0.000 0.923 36 T CA -0.335 61.794 62.100 0.048 0.000 1.112 36 T CB 0.473 69.375 68.868 0.057 0.000 0.884 36 T HN 0.207 nan 8.240 nan 0.000 0.525 37 V N 4.621 124.545 119.914 0.018 0.000 2.378 37 V HA 0.420 4.524 4.120 -0.027 0.000 0.288 37 V C 0.259 176.317 176.094 -0.060 0.000 1.016 37 V CA -0.763 61.507 62.300 -0.050 0.000 0.840 37 V CB 1.661 33.404 31.823 -0.133 0.000 0.994 37 V HN 0.936 nan 8.190 nan 0.000 0.431 38 T N 4.366 118.878 114.554 -0.069 0.000 2.786 38 T HA 0.497 4.830 4.350 -0.027 0.000 0.283 38 T C -0.282 174.312 174.700 -0.177 0.000 0.992 38 T CA -0.411 61.627 62.100 -0.105 0.000 0.954 38 T CB 1.633 70.469 68.868 -0.053 0.000 0.934 38 T HN 0.307 nan 8.240 nan 0.000 0.440 39 V N 4.894 124.614 119.914 -0.323 0.000 2.364 39 V HA 0.492 4.595 4.120 -0.027 0.000 0.272 39 V C 0.370 176.404 176.094 -0.099 0.000 1.036 39 V CA -0.644 61.499 62.300 -0.261 0.000 0.880 39 V CB 0.852 32.400 31.823 -0.458 0.000 0.991 39 V HN 0.790 nan 8.190 nan 0.000 0.460 40 V N 1.476 121.365 119.914 -0.043 0.000 2.815 40 V HA 0.860 4.964 4.120 -0.027 0.000 0.314 40 V C -0.799 175.307 176.094 0.021 0.000 1.064 40 V CA -0.533 61.769 62.300 0.003 0.000 0.952 40 V CB 2.194 34.013 31.823 -0.006 0.000 1.020 40 V HN 0.803 nan 8.190 nan 0.000 0.439 41 D N 2.669 123.093 120.400 0.039 0.000 2.769 41 D HA 0.305 4.929 4.640 -0.027 0.000 0.219 41 D C 0.328 176.650 176.300 0.036 0.000 1.245 41 D CA -0.319 53.705 54.000 0.039 0.000 0.801 41 D CB 2.259 43.102 40.800 0.072 0.000 1.598 41 D HN 0.791 nan 8.370 nan 0.000 0.485 42 M N 0.849 120.462 119.600 0.021 0.000 2.595 42 M HA 0.183 4.647 4.480 -0.027 0.000 0.248 42 M C 0.588 176.903 176.300 0.025 0.000 1.119 42 M CA 0.230 55.542 55.300 0.021 0.000 1.079 42 M CB -0.103 32.508 32.600 0.017 0.000 1.472 42 M HN -0.027 nan 8.290 nan 0.000 0.501 43 N N 3.001 121.719 118.700 0.029 0.000 2.466 43 N HA 0.014 4.738 4.740 -0.027 0.000 0.263 43 N C 0.815 176.355 175.510 0.050 0.000 1.178 43 N CA 0.559 53.630 53.050 0.034 0.000 0.983 43 N CB 0.760 39.268 38.487 0.035 0.000 1.331 43 N HN 0.402 nan 8.380 nan 0.000 0.500 44 T N 0.228 114.807 114.554 0.041 0.000 2.915 44 T HA -0.034 4.300 4.350 -0.027 0.000 0.269 44 T C 1.687 176.414 174.700 0.045 0.000 1.071 44 T CA 0.901 63.029 62.100 0.047 0.000 1.132 44 T CB -0.020 68.870 68.868 0.036 0.000 0.878 44 T HN 0.318 nan 8.240 nan 0.000 0.479 45 A N 2.045 124.883 122.820 0.032 0.000 1.897 45 A HA 0.091 4.395 4.320 -0.027 0.000 0.215 45 A C 2.336 179.927 177.584 0.011 0.000 1.181 45 A CA 1.743 53.791 52.037 0.017 0.000 0.620 45 A CB -0.646 18.357 19.000 0.006 0.000 0.821 45 A HN 0.556 nan 8.150 nan 0.000 0.443 46 K N -0.161 120.255 120.400 0.028 0.000 2.057 46 K HA -0.084 4.220 4.320 -0.027 0.000 0.207 46 K C 1.673 178.342 176.600 0.115 0.000 1.049 46 K CA 1.501 57.808 56.287 0.033 0.000 0.931 46 K CB -0.274 32.272 32.500 0.077 0.000 0.714 46 K HN 0.304 nan 8.250 nan 0.000 0.440 47 I N 1.465 122.132 120.570 0.163 0.000 2.208 47 I HA -0.230 3.923 4.170 -0.027 0.000 0.245 47 I C 2.398 178.595 176.117 0.133 0.000 1.097 47 I CA 1.628 63.052 61.300 0.208 0.000 1.363 47 I CB -1.552 36.551 38.000 0.172 0.000 1.051 47 I HN 0.329 nan 8.210 nan 0.000 0.413 48 A N 0.379 123.243 122.820 0.073 0.000 1.908 48 A HA -0.226 4.078 4.320 -0.027 0.000 0.218 48 A C 2.258 179.838 177.584 -0.006 0.000 1.181 48 A CA 1.638 53.699 52.037 0.039 0.000 0.627 48 A CB -0.640 18.375 19.000 0.025 0.000 0.818 48 A HN 0.476 nan 8.150 nan 0.000 0.445 49 E N -1.366 118.797 120.200 -0.062 0.000 2.058 49 E HA -0.259 4.074 4.350 -0.027 0.000 0.194 49 E C 1.797 178.247 176.600 -0.250 0.000 0.997 49 E CA 1.499 57.796 56.400 -0.171 0.000 0.801 49 E CB -0.266 29.272 29.700 -0.270 0.000 0.746 49 E HN 0.880 nan 8.360 nan 0.000 0.450 50 W N 0.889 121.989 121.300 -0.334 0.000 2.465 50 W HA -0.075 4.568 4.660 -0.027 0.000 0.268 50 W C 1.739 177.896 176.519 -0.604 0.000 1.242 50 W CA 0.085 57.004 57.345 -0.711 0.000 1.248 50 W CB 0.108 28.812 29.460 -1.260 0.000 1.118 50 W HN 0.003 nan 8.180 nan 0.000 0.587 51 N N -0.200 118.469 118.700 -0.052 0.000 2.336 51 N HA -0.010 4.714 4.740 -0.027 0.000 0.189 51 N C 0.568 176.129 175.510 0.085 0.000 1.113 51 N CA 0.683 53.771 53.050 0.063 0.000 0.858 51 N CB 0.022 38.582 38.487 0.121 0.000 0.970 51 N HN 0.039 nan 8.380 nan 0.000 0.471 52 S N -0.321 115.412 115.700 0.056 0.000 2.748 52 S HA 0.208 4.662 4.470 -0.027 0.000 0.299 52 S C 0.810 175.509 174.600 0.165 0.000 1.119 52 S CA -0.608 57.634 58.200 0.070 0.000 0.997 52 S CB 1.224 64.429 63.200 0.008 0.000 1.223 52 S HN 0.190 nan 8.310 nan 0.000 0.541 53 D N -0.999 119.454 120.400 0.088 0.000 2.349 53 D HA 0.056 4.680 4.640 -0.027 0.000 0.215 53 D C 0.163 176.561 176.300 0.164 0.000 1.016 53 D CA 0.273 54.309 54.000 0.060 0.000 0.870 53 D CB 0.082 40.848 40.800 -0.057 0.000 0.917 53 D HN 0.442 nan 8.370 nan 0.000 0.524 54 K N 1.203 121.669 120.400 0.109 0.000 2.604 54 K HA 0.299 4.603 4.320 -0.027 0.000 0.247 54 K C -0.482 176.071 176.600 -0.079 0.000 0.956 54 K CA -0.567 55.749 56.287 0.048 0.000 0.896 54 K CB 1.509 34.001 32.500 -0.013 0.000 1.131 54 K HN -0.040 nan 8.250 nan 0.000 0.440 55 L N 5.583 126.721 121.223 -0.141 0.000 2.456 55 L HA 0.144 4.468 4.340 -0.027 0.000 0.272 55 L C -1.084 175.463 176.870 -0.538 0.000 1.189 55 L CA -1.360 53.205 54.840 -0.459 0.000 0.846 55 L CB 0.515 42.264 42.059 -0.516 0.000 1.111 55 L HN 0.562 nan 8.230 nan 0.000 0.475 56 P HA -0.043 nan 4.420 nan 0.000 0.226 56 P C -0.009 177.009 177.300 -0.470 0.000 1.153 56 P CA 1.136 63.858 63.100 -0.630 0.000 0.777 56 P CB 0.057 31.283 31.700 -0.790 0.000 0.794 57 I N -4.718 115.516 120.570 -0.561 0.000 2.646 57 I HA 0.486 4.639 4.170 -0.027 0.000 0.299 57 I C -1.105 174.907 176.117 -0.174 0.000 1.036 57 I CA -1.775 59.332 61.300 -0.321 0.000 1.074 57 I CB 2.062 39.754 38.000 -0.513 0.000 1.258 57 I HN -0.335 nan 8.210 nan 0.000 0.430 58 Y N 4.048 124.278 120.300 -0.117 0.000 2.367 58 Y HA 0.491 5.026 4.550 -0.026 0.000 0.342 58 Y C -0.659 175.237 175.900 -0.006 0.000 0.979 58 Y CA -0.071 57.992 58.100 -0.061 0.000 1.161 58 Y CB 0.759 39.208 38.460 -0.019 0.000 1.155 58 Y HN 0.549 nan 8.280 nan 0.000 0.503 59 E N 8.063 127.853 120.200 -0.683 0.000 2.246 59 E HA 0.307 4.641 4.350 -0.027 0.000 0.266 59 E C -2.792 173.345 176.600 -0.771 0.000 0.880 59 E CA -2.413 53.622 56.400 -0.609 0.000 0.762 59 E CB 1.843 31.396 29.700 -0.245 0.000 1.180 59 E HN 0.479 nan 8.360 nan 0.000 0.416 60 P HA 0.043 nan 4.420 nan 0.000 0.261 60 P C 0.827 178.011 177.300 -0.193 0.000 1.183 60 P CA 0.964 63.870 63.100 -0.323 0.000 0.761 60 P CB 0.445 32.077 31.700 -0.114 0.000 0.785 61 G N 2.332 111.053 108.800 -0.133 0.000 2.241 61 G HA2 -0.325 3.619 3.960 -0.027 0.000 0.244 61 G HA3 -0.325 3.619 3.960 -0.027 0.000 0.244 61 G C 0.634 175.447 174.900 -0.145 0.000 0.998 61 G CA 0.307 45.339 45.100 -0.113 0.000 0.621 61 G HN 0.561 nan 8.290 nan 0.000 0.519 62 L N 1.017 122.139 121.223 -0.170 0.000 2.131 62 L HA 0.296 4.619 4.340 -0.027 0.000 0.206 62 L C 2.186 178.957 176.870 -0.164 0.000 1.087 62 L CA 2.640 57.381 54.840 -0.165 0.000 0.767 62 L CB -0.365 41.596 42.059 -0.164 0.000 0.917 62 L HN 0.152 nan 8.230 nan 0.000 0.441 63 D N 0.020 120.345 120.400 -0.126 0.000 2.092 63 D HA -0.276 4.348 4.640 -0.027 0.000 0.193 63 D C 1.974 178.288 176.300 0.023 0.000 0.994 63 D CA 1.697 55.650 54.000 -0.078 0.000 0.828 63 D CB -0.125 40.768 40.800 0.155 0.000 0.963 63 D HN 0.564 nan 8.370 nan 0.000 0.450 64 E N 0.047 120.266 120.200 0.032 0.000 2.114 64 E HA -0.204 4.130 4.350 -0.027 0.000 0.199 64 E C 1.995 178.573 176.600 -0.038 0.000 1.008 64 E CA 1.005 57.420 56.400 0.025 0.000 0.810 64 E CB 0.053 29.739 29.700 -0.023 0.000 0.739 64 E HN 0.105 nan 8.360 nan 0.000 0.456 65 I N 0.585 121.066 120.570 -0.149 0.000 2.193 65 I HA -0.189 3.965 4.170 -0.027 0.000 0.240 65 I C 2.553 178.603 176.117 -0.112 0.000 1.084 65 I CA 0.731 61.901 61.300 -0.218 0.000 1.365 65 I CB -1.251 36.557 38.000 -0.320 0.000 1.064 65 I HN 0.110 nan 8.210 nan 0.000 0.410 66 V N 0.565 120.393 119.914 -0.143 0.000 2.307 66 V HA -0.246 3.857 4.120 -0.027 0.000 0.245 66 V C 2.407 178.461 176.094 -0.067 0.000 1.045 66 V CA 1.633 63.857 62.300 -0.126 0.000 1.024 66 V CB -0.717 30.981 31.823 -0.209 0.000 0.651 66 V HN 0.139 nan 8.190 nan 0.000 0.449 67 F N 0.816 120.782 119.950 0.028 0.000 2.234 67 F HA -0.003 4.504 4.527 -0.033 0.000 0.299 67 F C 2.377 178.177 175.800 -0.000 0.000 1.087 67 F CA 0.782 58.791 58.000 0.015 0.000 1.340 67 F CB -1.184 37.820 39.000 0.006 0.000 1.031 67 F HN 0.097 nan 8.300 nan 0.000 0.500 68 A N -0.360 122.559 122.820 0.166 0.000 1.930 68 A HA 0.073 4.376 4.320 -0.027 0.000 0.217 68 A C 2.333 179.944 177.584 0.045 0.000 1.175 68 A CA 1.696 53.788 52.037 0.092 0.000 0.627 68 A CB -0.978 18.071 19.000 0.081 0.000 0.815 68 A HN 0.265 nan 8.150 nan 0.000 0.443 69 A N -1.179 121.649 122.820 0.014 0.000 2.115 69 A HA 0.241 4.544 4.320 -0.027 0.000 0.211 69 A C 1.398 178.900 177.584 -0.136 0.000 1.169 69 A CA 0.003 52.005 52.037 -0.058 0.000 0.787 69 A CB -0.173 18.781 19.000 -0.077 0.000 0.858 69 A HN 0.421 nan 8.150 nan 0.000 0.474 70 R N -0.162 120.300 120.500 -0.064 0.000 2.489 70 R HA 0.324 4.648 4.340 -0.027 0.000 0.287 70 R C 1.260 177.449 176.300 -0.185 0.000 1.053 70 R CA 1.063 57.101 56.100 -0.103 0.000 1.036 70 R CB -0.038 30.334 30.300 0.120 0.000 0.966 70 R HN 0.699 nan 8.270 nan 0.000 0.432 71 G N 3.436 111.958 108.800 -0.463 0.000 2.234 71 G HA2 -0.356 3.587 3.960 -0.027 0.000 0.260 71 G HA3 -0.356 3.587 3.960 -0.027 0.000 0.260 71 G C 0.845 175.567 174.900 -0.297 0.000 0.987 71 G CA 0.638 45.531 45.100 -0.346 0.000 0.625 71 G HN 0.661 nan 8.290 nan 0.000 0.532 72 R N 0.192 120.493 120.500 -0.332 0.000 1.981 72 R HA 0.169 4.492 4.340 -0.027 0.000 0.207 72 R C 2.140 178.345 176.300 -0.157 0.000 1.375 72 R CA 1.180 57.189 56.100 -0.153 0.000 1.068 72 R CB -0.375 29.874 30.300 -0.086 0.000 0.890 72 R HN 0.453 nan 8.270 nan 0.000 0.481 73 N N 0.334 118.906 118.700 -0.213 0.000 2.171 73 N HA 0.035 4.759 4.740 -0.027 0.000 0.212 73 N C -0.385 174.985 175.510 -0.233 0.000 1.184 73 N CA -0.066 52.920 53.050 -0.107 0.000 0.888 73 N CB 0.451 38.912 38.487 -0.042 0.000 1.038 73 N HN 0.051 nan 8.380 nan 0.000 0.517 74 L N 0.912 121.833 121.223 -0.502 0.000 2.287 74 L HA 0.614 4.937 4.340 -0.027 0.000 0.287 74 L C -1.606 174.757 176.870 -0.844 0.000 1.022 74 L CA -0.617 53.910 54.840 -0.523 0.000 0.814 74 L CB 0.599 42.429 42.059 -0.382 0.000 1.217 74 L HN -0.089 nan 8.230 nan 0.000 0.420 75 F N 4.602 124.317 119.950 -0.393 0.000 2.563 75 F HA 0.596 5.109 4.527 -0.024 0.000 0.316 75 F C -0.793 174.660 175.800 -0.579 0.000 1.076 75 F CA -0.399 57.420 58.000 -0.302 0.000 0.921 75 F CB 1.803 40.709 39.000 -0.156 0.000 1.209 75 F HN 0.186 nan 8.300 nan 0.000 0.462 76 F N 1.366 121.379 119.950 0.104 0.000 2.477 76 F HA 0.598 5.108 4.527 -0.028 0.000 0.335 76 F C 0.058 175.900 175.800 0.069 0.000 1.130 76 F CA -0.575 57.437 58.000 0.021 0.000 0.948 76 F CB 2.013 41.020 39.000 0.012 0.000 1.154 76 F HN 0.379 nan 8.300 nan 0.000 0.439 77 S N 0.680 116.479 115.700 0.165 0.000 2.588 77 S HA 0.533 4.986 4.470 -0.027 0.000 0.275 77 S C 0.156 174.802 174.600 0.077 0.000 1.130 77 S CA -0.218 58.047 58.200 0.108 0.000 0.855 77 S CB 1.570 64.798 63.200 0.047 0.000 1.116 77 S HN 0.609 nan 8.310 nan 0.000 0.472 78 S N 0.999 116.733 115.700 0.056 0.000 2.568 78 S HA 0.235 4.689 4.470 -0.027 0.000 0.232 78 S C -0.158 174.442 174.600 0.001 0.000 0.975 78 S CA -0.240 57.980 58.200 0.034 0.000 0.949 78 S CB -0.051 63.174 63.200 0.042 0.000 0.829 78 S HN 0.623 nan 8.310 nan 0.000 0.479 79 D N 1.865 122.255 120.400 -0.016 0.000 2.522 79 D HA 0.342 4.965 4.640 -0.027 0.000 0.218 79 D C 0.896 177.147 176.300 -0.082 0.000 1.149 79 D CA -0.407 53.560 54.000 -0.055 0.000 0.981 79 D CB -0.259 40.506 40.800 -0.059 0.000 1.041 79 D HN 0.332 nan 8.370 nan 0.000 0.518 80 I N 2.953 123.471 120.570 -0.086 0.000 2.202 80 I HA -0.119 4.035 4.170 -0.027 0.000 0.242 80 I C -0.663 175.360 176.117 -0.156 0.000 1.091 80 I CA 0.550 61.801 61.300 -0.082 0.000 1.368 80 I CB -1.013 36.965 38.000 -0.036 0.000 1.058 80 I HN 0.265 nan 8.210 nan 0.000 0.410 81 P HA -0.213 nan 4.420 nan 0.000 0.216 81 P C 1.533 178.657 177.300 -0.294 0.000 1.150 81 P CA 1.521 64.248 63.100 -0.622 0.000 0.837 81 P CB -0.021 30.944 31.700 -1.226 0.000 0.786 82 K N -0.336 119.939 120.400 -0.208 0.000 2.057 82 K HA -0.076 4.228 4.320 -0.027 0.000 0.206 82 K C 2.013 178.561 176.600 -0.087 0.000 1.050 82 K CA 1.328 57.542 56.287 -0.123 0.000 0.935 82 K CB -0.588 31.847 32.500 -0.109 0.000 0.715 82 K HN -0.054 nan 8.250 nan 0.000 0.439 83 A N 1.512 124.282 122.820 -0.083 0.000 1.902 83 A HA -0.144 4.160 4.320 -0.027 0.000 0.217 83 A C 1.988 179.555 177.584 -0.028 0.000 1.181 83 A CA 1.293 53.294 52.037 -0.060 0.000 0.623 83 A CB -0.505 18.464 19.000 -0.052 0.000 0.818 83 A HN 0.267 nan 8.150 nan 0.000 0.443 84 I N 0.237 120.800 120.570 -0.011 0.000 2.127 84 I HA -0.270 3.883 4.170 -0.027 0.000 0.241 84 I C 2.997 179.149 176.117 0.058 0.000 1.075 84 I CA 1.450 62.777 61.300 0.045 0.000 1.334 84 I CB -1.748 36.311 38.000 0.100 0.000 1.040 84 I HN 0.363 nan 8.210 nan 0.000 0.405 85 A N 0.287 123.137 122.820 0.050 0.000 1.958 85 A HA -0.235 4.069 4.320 -0.027 0.000 0.221 85 A C 2.172 179.769 177.584 0.021 0.000 1.178 85 A CA 2.023 54.092 52.037 0.053 0.000 0.642 85 A CB -0.658 18.367 19.000 0.042 0.000 0.816 85 A HN 0.607 nan 8.150 nan 0.000 0.453 86 E N -0.596 119.601 120.200 -0.005 0.000 2.400 86 E HA 0.324 4.657 4.350 -0.027 0.000 0.195 86 E C 0.820 177.410 176.600 -0.016 0.000 1.012 86 E CA 0.093 56.481 56.400 -0.020 0.000 0.875 86 E CB 0.007 29.679 29.700 -0.047 0.000 0.859 86 E HN 0.595 nan 8.360 nan 0.000 0.498 87 A N 1.553 124.368 122.820 -0.007 0.000 2.386 87 A HA 0.042 4.345 4.320 -0.027 0.000 0.248 87 A C 0.373 177.955 177.584 -0.004 0.000 1.082 87 A CA -0.286 51.746 52.037 -0.009 0.000 0.789 87 A CB 0.391 19.389 19.000 -0.004 0.000 1.025 87 A HN -0.031 nan 8.150 nan 0.000 0.490 88 D N 0.101 120.493 120.400 -0.013 0.000 2.262 88 D HA 0.094 4.718 4.640 -0.027 0.000 0.212 88 D C 0.215 176.489 176.300 -0.043 0.000 0.964 88 D CA 0.888 54.884 54.000 -0.008 0.000 0.875 88 D CB 0.129 40.928 40.800 -0.002 0.000 0.996 88 D HN 0.387 nan 8.370 nan 0.000 0.497 89 L N 0.840 122.013 121.223 -0.083 0.000 2.385 89 L HA 0.451 4.774 4.340 -0.027 0.000 0.273 89 L C -1.529 175.231 176.870 -0.182 0.000 0.990 89 L CA -0.564 54.169 54.840 -0.178 0.000 0.821 89 L CB 2.111 44.018 42.059 -0.253 0.000 1.279 89 L HN -0.242 nan 8.230 nan 0.000 0.412 90 I N 4.643 125.092 120.570 -0.202 0.000 2.410 90 I HA 0.317 4.471 4.170 -0.027 0.000 0.286 90 I C -0.887 175.133 176.117 -0.162 0.000 1.009 90 I CA -0.344 60.892 61.300 -0.106 0.000 1.111 90 I CB 1.368 39.364 38.000 -0.008 0.000 1.262 90 I HN 0.393 nan 8.210 nan 0.000 0.443 91 F N 6.204 126.146 119.950 -0.012 0.000 2.429 91 F HA 0.393 4.902 4.527 -0.031 0.000 0.348 91 F C 0.534 176.332 175.800 -0.003 0.000 1.109 91 F CA -0.181 57.815 58.000 -0.007 0.000 1.232 91 F CB 0.728 39.721 39.000 -0.011 0.000 1.157 91 F HN 0.213 nan 8.300 nan 0.000 0.564 92 I N 2.305 122.994 120.570 0.198 0.000 2.330 92 I HA 0.194 4.347 4.170 -0.027 0.000 0.289 92 I C -0.002 176.183 176.117 0.113 0.000 1.001 92 I CA -0.216 61.157 61.300 0.122 0.000 1.193 92 I CB 1.456 39.505 38.000 0.081 0.000 1.345 92 I HN 0.475 nan 8.210 nan 0.000 0.461 93 S N 6.966 122.714 115.700 0.080 0.000 2.128 93 S HA 0.460 4.914 4.470 -0.027 0.000 0.157 93 S C -0.461 174.161 174.600 0.037 0.000 1.650 93 S CA -0.544 57.685 58.200 0.049 0.000 1.269 93 S CB -0.075 63.136 63.200 0.019 0.000 1.227 93 S HN 0.435 nan 8.310 nan 0.000 0.405 94 V N 0.707 120.650 119.914 0.048 0.000 3.103 94 V HA 0.704 4.807 4.120 -0.027 0.000 0.318 94 V C -0.088 176.052 176.094 0.078 0.000 1.114 94 V CA -1.371 60.952 62.300 0.040 0.000 1.020 94 V CB 1.204 33.063 31.823 0.061 0.000 1.085 94 V HN 0.481 nan 8.190 nan 0.000 0.446 95 N N 1.680 120.442 118.700 0.103 0.000 2.508 95 N HA 0.287 5.011 4.740 -0.027 0.000 0.264 95 N C 0.164 175.813 175.510 0.232 0.000 1.216 95 N CA 0.502 53.653 53.050 0.167 0.000 0.943 95 N CB 1.059 39.663 38.487 0.195 0.000 1.113 95 N HN 1.041 nan 8.380 nan 0.000 0.447 96 T N -1.910 112.710 114.554 0.111 0.000 3.331 96 T HA 0.293 4.627 4.350 -0.027 0.000 0.381 96 T C -2.609 172.092 174.700 0.001 0.000 1.656 96 T CA -1.805 60.323 62.100 0.046 0.000 1.453 96 T CB 0.699 69.574 68.868 0.011 0.000 1.066 96 T HN 0.239 nan 8.240 nan 0.000 0.655 97 P HA 0.103 nan 4.420 nan 0.000 0.267 97 P C 0.086 177.332 177.300 -0.089 0.000 1.200 97 P CA 0.056 63.142 63.100 -0.024 0.000 0.772 97 P CB 0.382 32.073 31.700 -0.014 0.000 0.855 98 T N 3.195 117.696 114.554 -0.089 0.000 2.902 98 T HA 0.040 4.373 4.350 -0.027 0.000 0.301 98 T C 0.654 175.238 174.700 -0.194 0.000 1.012 98 T CA -0.170 61.853 62.100 -0.129 0.000 1.151 98 T CB -0.049 68.761 68.868 -0.097 0.000 0.946 98 T HN 0.253 nan 8.240 nan 0.000 0.542 99 K N 3.148 123.398 120.400 -0.250 0.000 2.524 99 K HA 0.019 4.323 4.320 -0.027 0.000 0.279 99 K C 1.092 177.466 176.600 -0.375 0.000 0.993 99 K CA 0.107 56.179 56.287 -0.358 0.000 1.030 99 K CB 0.289 32.591 32.500 -0.331 0.000 0.891 99 K HN 0.532 nan 8.250 nan 0.000 0.488 100 M N 2.183 121.415 119.600 -0.614 0.000 2.465 100 M HA 0.062 4.526 4.480 -0.027 0.000 0.249 100 M C -0.393 175.750 176.300 -0.262 0.000 1.130 100 M CA 0.654 55.710 55.300 -0.406 0.000 1.067 100 M CB -0.108 32.291 32.600 -0.334 0.000 1.394 100 M HN 0.520 nan 8.290 nan 0.000 0.483 101 Y N -2.405 117.875 120.300 -0.034 0.000 2.638 101 Y HA 0.703 5.237 4.550 -0.027 0.000 0.335 101 Y C 0.406 176.286 175.900 -0.032 0.000 1.155 101 Y CA -1.191 56.895 58.100 -0.025 0.000 1.046 101 Y CB 0.078 38.527 38.460 -0.018 0.000 1.303 101 Y HN 0.252 nan 8.280 nan 0.000 0.460 102 G N 1.143 110.059 108.800 0.194 0.000 2.525 102 G HA2 -0.276 3.668 3.960 -0.027 0.000 0.248 102 G HA3 -0.276 3.668 3.960 -0.027 0.000 0.248 102 G C -0.625 174.309 174.900 0.056 0.000 1.238 102 G CA -0.139 45.038 45.100 0.129 0.000 0.926 102 G HN 1.061 nan 8.290 nan 0.000 0.574 103 R N 1.595 122.124 120.500 0.050 0.000 2.402 103 R HA 0.443 4.767 4.340 -0.027 0.000 0.331 103 R C 1.393 177.674 176.300 -0.031 0.000 1.040 103 R CA 1.515 57.649 56.100 0.056 0.000 0.980 103 R CB -0.758 29.591 30.300 0.082 0.000 0.967 103 R HN 2.460 nan 8.270 nan 0.000 0.440 104 G N 3.465 112.247 108.800 -0.030 0.000 2.131 104 G HA2 -0.304 3.640 3.960 -0.027 0.000 0.223 104 G HA3 -0.304 3.640 3.960 -0.027 0.000 0.223 104 G C 0.028 174.764 174.900 -0.273 0.000 0.990 104 G CA 0.118 45.014 45.100 -0.340 0.000 0.671 104 G HN 0.660 nan 8.290 nan 0.000 0.521 105 K N 0.454 120.780 120.400 -0.123 0.000 2.530 105 K HA 0.306 4.610 4.320 -0.027 0.000 0.280 105 K C 1.708 178.252 176.600 -0.094 0.000 1.004 105 K CA 1.481 57.704 56.287 -0.107 0.000 1.071 105 K CB -0.421 32.061 32.500 -0.029 0.000 0.876 105 K HN 1.578 nan 8.250 nan 0.000 0.487 106 G N 3.533 112.266 108.800 -0.112 0.000 2.184 106 G HA2 -0.295 3.648 3.960 -0.027 0.000 0.264 106 G HA3 -0.295 3.648 3.960 -0.027 0.000 0.264 106 G C 0.587 175.446 174.900 -0.068 0.000 0.975 106 G CA 0.763 45.821 45.100 -0.071 0.000 0.642 106 G HN 0.652 nan 8.290 nan 0.000 0.536 107 M N -0.886 118.640 119.600 -0.124 0.000 2.195 107 M HA 0.425 4.888 4.480 -0.027 0.000 0.243 107 M C 1.247 177.420 176.300 -0.212 0.000 1.313 107 M CA 0.708 55.947 55.300 -0.101 0.000 1.077 107 M CB 0.802 33.402 32.600 -0.000 0.000 1.664 107 M HN 0.472 nan 8.290 nan 0.000 0.584 108 A N 2.615 125.157 122.820 -0.464 0.000 2.328 108 A HA 0.561 4.864 4.320 -0.027 0.000 0.284 108 A C -2.499 174.919 177.584 -0.277 0.000 1.160 108 A CA -1.282 50.418 52.037 -0.560 0.000 0.818 108 A CB -0.485 17.921 19.000 -0.990 0.000 1.087 108 A HN -0.003 nan 8.150 nan 0.000 0.504 109 P HA 0.080 nan 4.420 nan 0.000 0.268 109 P C -0.773 176.451 177.300 -0.127 0.000 1.205 109 P CA 0.035 63.067 63.100 -0.112 0.000 0.771 109 P CB 0.563 32.229 31.700 -0.056 0.000 0.858 110 D N 2.826 123.145 120.400 -0.134 0.000 2.359 110 D HA 0.113 4.737 4.640 -0.027 0.000 0.230 110 D C 0.626 176.848 176.300 -0.129 0.000 1.118 110 D CA -0.205 53.703 54.000 -0.153 0.000 0.844 110 D CB 0.490 41.167 40.800 -0.206 0.000 1.059 110 D HN 0.259 nan 8.370 nan 0.000 0.493 111 L N 4.239 125.406 121.223 -0.094 0.000 2.645 111 L HA -0.013 4.310 4.340 -0.027 0.000 0.235 111 L C 2.355 179.182 176.870 -0.072 0.000 1.150 111 L CA 0.011 54.817 54.840 -0.056 0.000 0.911 111 L CB -0.121 41.923 42.059 -0.025 0.000 1.077 111 L HN 0.442 nan 8.230 nan 0.000 0.438 112 K N -0.435 119.867 120.400 -0.163 0.000 2.044 112 K HA -0.250 4.054 4.320 -0.027 0.000 0.210 112 K C 1.649 178.191 176.600 -0.096 0.000 1.049 112 K CA 1.720 57.899 56.287 -0.181 0.000 0.927 112 K CB -0.584 31.739 32.500 -0.296 0.000 0.713 112 K HN 0.132 nan 8.250 nan 0.000 0.443 113 Y N 1.722 122.029 120.300 0.011 0.000 2.200 113 Y HA -0.095 4.440 4.550 -0.027 0.000 0.290 113 Y C 2.615 178.525 175.900 0.017 0.000 1.137 113 Y CA 0.172 58.282 58.100 0.017 0.000 1.163 113 Y CB -0.815 37.657 38.460 0.019 0.000 0.988 113 Y HN -0.161 nan 8.280 nan 0.000 0.518 114 V N 0.350 120.358 119.914 0.156 0.000 2.332 114 V HA -0.312 3.791 4.120 -0.027 0.000 0.248 114 V C 2.371 178.502 176.094 0.062 0.000 1.055 114 V CA 2.276 64.631 62.300 0.092 0.000 1.038 114 V CB -0.572 31.287 31.823 0.061 0.000 0.651 114 V HN 0.439 nan 8.190 nan 0.000 0.450 115 E N -0.184 120.042 120.200 0.045 0.000 2.051 115 E HA -0.237 4.097 4.350 -0.027 0.000 0.192 115 E C 2.441 179.063 176.600 0.036 0.000 0.991 115 E CA 1.480 57.895 56.400 0.024 0.000 0.799 115 E CB -0.219 29.485 29.700 0.007 0.000 0.748 115 E HN 0.510 nan 8.360 nan 0.000 0.449 116 S N -0.444 115.297 115.700 0.070 0.000 2.359 116 S HA -0.144 4.310 4.470 -0.027 0.000 0.224 116 S C 2.021 176.668 174.600 0.077 0.000 1.035 116 S CA 1.385 59.636 58.200 0.086 0.000 1.018 116 S CB -0.252 63.035 63.200 0.146 0.000 0.876 116 S HN 0.249 nan 8.310 nan 0.000 0.448 117 V N 1.454 121.417 119.914 0.082 0.000 2.295 117 V HA -0.129 3.974 4.120 -0.027 0.000 0.246 117 V C 2.621 178.738 176.094 0.038 0.000 1.049 117 V CA 2.146 64.485 62.300 0.066 0.000 1.024 117 V CB -1.097 30.766 31.823 0.067 0.000 0.648 117 V HN 0.494 nan 8.190 nan 0.000 0.447 118 S N -0.155 115.553 115.700 0.013 0.000 2.370 118 S HA -0.234 4.220 4.470 -0.027 0.000 0.226 118 S C 2.058 176.625 174.600 -0.055 0.000 1.033 118 S CA 1.639 59.816 58.200 -0.039 0.000 1.011 118 S CB -0.371 62.800 63.200 -0.049 0.000 0.852 118 S HN 0.558 nan 8.310 nan 0.000 0.457 119 R N 0.631 121.118 120.500 -0.023 0.000 2.096 119 R HA -0.039 4.284 4.340 -0.027 0.000 0.235 119 R C 2.442 178.735 176.300 -0.013 0.000 1.127 119 R CA 1.620 57.704 56.100 -0.027 0.000 0.968 119 R CB -0.847 29.447 30.300 -0.010 0.000 0.861 119 R HN 0.362 nan 8.270 nan 0.000 0.440 120 T N 1.493 116.073 114.554 0.043 0.000 2.777 120 T HA -0.065 4.269 4.350 -0.027 0.000 0.266 120 T C 1.948 176.739 174.700 0.152 0.000 1.040 120 T CA 1.083 63.260 62.100 0.128 0.000 1.141 120 T CB -0.130 68.843 68.868 0.175 0.000 0.868 120 T HN 0.137 nan 8.240 nan 0.000 0.444 121 I N 1.537 122.161 120.570 0.089 0.000 2.163 121 I HA -0.206 3.948 4.170 -0.027 0.000 0.243 121 I C 2.971 179.130 176.117 0.070 0.000 1.085 121 I CA 1.167 62.524 61.300 0.095 0.000 1.347 121 I CB -0.557 37.462 38.000 0.032 0.000 1.044 121 I HN 0.191 nan 8.210 nan 0.000 0.408 122 A N -0.097 122.686 122.820 -0.061 0.000 1.948 122 A HA -0.314 3.990 4.320 -0.027 0.000 0.220 122 A C 2.322 179.895 177.584 -0.018 0.000 1.177 122 A CA 2.039 54.033 52.037 -0.071 0.000 0.636 122 A CB -0.705 18.218 19.000 -0.128 0.000 0.815 122 A HN 0.533 nan 8.150 nan 0.000 0.449 123 Q N -2.428 117.308 119.800 -0.107 0.000 2.083 123 Q HA -0.124 4.199 4.340 -0.027 0.000 0.198 123 Q C 0.918 176.726 176.000 -0.320 0.000 0.969 123 Q CA 1.469 57.083 55.803 -0.316 0.000 0.838 123 Q CB 0.004 28.378 28.738 -0.607 0.000 0.900 123 Q HN 0.796 nan 8.270 nan 0.000 0.436 124 Y N -1.666 118.672 120.300 0.063 0.000 2.481 124 Y HA 0.361 4.895 4.550 -0.027 0.000 0.247 124 Y C 1.519 177.462 175.900 0.072 0.000 1.151 124 Y CA 0.049 58.182 58.100 0.056 0.000 1.238 124 Y CB 0.095 38.579 38.460 0.040 0.000 1.179 124 Y HN 0.148 nan 8.280 nan 0.000 0.524 125 A N 0.436 123.395 122.820 0.233 0.000 1.851 125 A HA 0.097 4.400 4.320 -0.027 0.000 0.216 125 A C 2.499 180.155 177.584 0.121 0.000 1.195 125 A CA 2.430 54.595 52.037 0.214 0.000 0.622 125 A CB -1.239 17.971 19.000 0.351 0.000 0.831 125 A HN 0.681 nan 8.150 nan 0.000 0.444 126 G N -2.638 106.219 108.800 0.094 0.000 2.458 126 G HA2 0.044 3.987 3.960 -0.027 0.000 0.237 126 G HA3 0.044 3.987 3.960 -0.027 0.000 0.237 126 G C 0.991 175.886 174.900 -0.007 0.000 1.113 126 G CA 0.942 46.069 45.100 0.044 0.000 0.655 126 G HN 1.949 nan 8.290 nan 0.000 0.513 127 G N -0.596 108.180 108.800 -0.040 0.000 2.788 127 G HA2 0.711 4.655 3.960 -0.027 0.000 0.293 127 G HA3 0.711 4.655 3.960 -0.027 0.000 0.293 127 G C -3.239 171.540 174.900 -0.202 0.000 1.392 127 G CA -0.551 44.490 45.100 -0.099 0.000 0.810 127 G HN 0.218 nan 8.290 nan 0.000 0.508 128 P HA 0.201 nan 4.420 nan 0.000 0.262 128 P C -0.796 176.494 177.300 -0.017 0.000 1.182 128 P CA 0.343 63.333 63.100 -0.183 0.000 0.761 128 P CB 0.497 32.101 31.700 -0.160 0.000 0.795 129 K N 3.363 123.738 120.400 -0.041 0.000 2.422 129 K HA 0.494 4.797 4.320 -0.027 0.000 0.251 129 K C -0.234 176.339 176.600 -0.045 0.000 0.933 129 K CA -0.777 55.536 56.287 0.043 0.000 0.798 129 K CB 2.219 34.808 32.500 0.148 0.000 1.238 129 K HN 0.355 nan 8.250 nan 0.000 0.428 130 I N 2.100 122.533 120.570 -0.228 0.000 2.325 130 I HA 0.178 4.332 4.170 -0.027 0.000 0.291 130 I C -0.169 175.833 176.117 -0.191 0.000 1.019 130 I CA -0.945 60.139 61.300 -0.359 0.000 1.302 130 I CB 1.168 38.893 38.000 -0.458 0.000 1.401 130 I HN 0.032 nan 8.210 nan 0.000 0.485 131 V N 7.515 127.353 119.914 -0.126 0.000 2.459 131 V HA 0.428 4.531 4.120 -0.027 0.000 0.295 131 V C -0.096 175.921 176.094 -0.128 0.000 1.029 131 V CA -0.635 61.612 62.300 -0.089 0.000 0.874 131 V CB 2.056 33.875 31.823 -0.006 0.000 0.985 131 V HN 0.402 nan 8.190 nan 0.000 0.438 132 V N 4.245 124.072 119.914 -0.145 0.000 2.483 132 V HA 0.369 4.473 4.120 -0.027 0.000 0.297 132 V C -0.180 175.941 176.094 0.045 0.000 1.027 132 V CA -0.786 61.444 62.300 -0.117 0.000 0.855 132 V CB 1.835 33.454 31.823 -0.340 0.000 0.995 132 V HN 0.939 nan 8.190 nan 0.000 0.424 133 E N 3.530 123.761 120.200 0.052 0.000 2.129 133 E HA 0.206 4.539 4.350 -0.027 0.000 0.283 133 E C 0.281 176.946 176.600 0.109 0.000 1.080 133 E CA -0.248 56.198 56.400 0.076 0.000 0.867 133 E CB 1.525 31.254 29.700 0.049 0.000 1.056 133 E HN 0.531 nan 8.360 nan 0.000 0.404 134 K N 1.663 122.145 120.400 0.137 0.000 2.240 134 K HA 0.121 4.424 4.320 -0.027 0.000 0.202 134 K C 0.535 177.143 176.600 0.015 0.000 1.053 134 K CA 0.338 56.694 56.287 0.115 0.000 0.973 134 K CB 0.450 33.038 32.500 0.148 0.000 0.924 134 K HN 0.233 nan 8.250 nan 0.000 0.477 135 S N 1.023 116.736 115.700 0.021 0.000 2.593 135 S HA 0.119 4.572 4.470 -0.027 0.000 0.269 135 S C -0.521 174.066 174.600 -0.022 0.000 1.334 135 S CA -0.342 57.853 58.200 -0.008 0.000 1.015 135 S CB 1.001 64.211 63.200 0.017 0.000 0.912 135 S HN 0.346 nan 8.310 nan 0.000 0.541 136 T N 2.716 117.240 114.554 -0.049 0.000 2.908 136 T HA 0.316 4.649 4.350 -0.027 0.000 0.301 136 T C 0.161 174.849 174.700 -0.019 0.000 1.019 136 T CA -0.233 61.832 62.100 -0.057 0.000 1.152 136 T CB -0.176 68.644 68.868 -0.079 0.000 0.966 136 T HN 0.520 nan 8.240 nan 0.000 0.540 137 V N 1.941 121.850 119.914 -0.007 0.000 3.001 137 V HA 0.823 4.926 4.120 -0.027 0.000 0.314 137 V C -2.634 173.470 176.094 0.018 0.000 1.099 137 V CA -2.815 59.495 62.300 0.015 0.000 0.989 137 V CB 1.752 33.597 31.823 0.038 0.000 1.040 137 V HN 0.589 nan 8.190 nan 0.000 0.434 138 P HA 0.256 nan 4.420 nan 0.000 0.274 138 P C -0.162 177.163 177.300 0.042 0.000 1.237 138 P CA -0.113 63.005 63.100 0.030 0.000 0.793 138 P CB 1.047 32.767 31.700 0.034 0.000 0.977 139 V N 3.829 123.763 119.914 0.033 0.000 2.763 139 V HA -0.033 4.071 4.120 -0.027 0.000 0.306 139 V C 1.349 177.418 176.094 -0.041 0.000 1.059 139 V CA 0.410 62.733 62.300 0.037 0.000 1.138 139 V CB -0.532 31.297 31.823 0.010 0.000 0.940 139 V HN 0.718 nan 8.190 nan 0.000 0.489 140 K N 1.159 121.514 120.400 -0.075 0.000 3.500 140 K HA -0.267 4.037 4.320 -0.027 0.000 0.313 140 K C 1.350 177.956 176.600 0.009 0.000 1.338 140 K CA 1.139 57.272 56.287 -0.258 0.000 0.963 140 K CB -2.124 30.120 32.500 -0.427 0.000 1.267 140 K HN 0.977 nan 8.250 nan 0.000 0.448 141 A N 0.915 123.791 122.820 0.094 0.000 1.940 141 A HA -0.000 4.303 4.320 -0.027 0.000 0.219 141 A C 2.393 180.060 177.584 0.138 0.000 1.176 141 A CA 2.544 54.636 52.037 0.091 0.000 0.631 141 A CB -0.433 18.612 19.000 0.075 0.000 0.814 141 A HN 0.561 nan 8.150 nan 0.000 0.446 142 A N -0.623 122.349 122.820 0.253 0.000 2.019 142 A HA -0.158 4.146 4.320 -0.027 0.000 0.219 142 A C 1.949 179.693 177.584 0.266 0.000 1.164 142 A CA 1.767 53.945 52.037 0.235 0.000 0.644 142 A CB -0.458 18.665 19.000 0.204 0.000 0.805 142 A HN 0.696 nan 8.150 nan 0.000 0.449 143 E N 0.036 120.452 120.200 0.361 0.000 2.051 143 E HA -0.137 4.196 4.350 -0.027 0.000 0.192 143 E C 2.156 178.818 176.600 0.104 0.000 0.991 143 E CA 1.378 57.922 56.400 0.240 0.000 0.799 143 E CB -0.046 29.707 29.700 0.088 0.000 0.748 143 E HN 0.605 nan 8.360 nan 0.000 0.449 144 S N 0.610 116.349 115.700 0.065 0.000 2.356 144 S HA -0.165 4.289 4.470 -0.027 0.000 0.223 144 S C 1.989 176.600 174.600 0.018 0.000 1.032 144 S CA 1.200 59.417 58.200 0.029 0.000 1.005 144 S CB -0.312 62.899 63.200 0.018 0.000 0.867 144 S HN 0.275 nan 8.310 nan 0.000 0.449 145 I N 1.868 122.454 120.570 0.025 0.000 2.091 145 I HA -0.206 3.947 4.170 -0.027 0.000 0.239 145 I C 2.866 178.960 176.117 -0.038 0.000 1.061 145 I CA 1.365 62.658 61.300 -0.010 0.000 1.317 145 I CB -1.348 36.652 38.000 0.000 0.000 1.031 145 I HN 0.399 nan 8.210 nan 0.000 0.401 146 G N 0.035 108.839 108.800 0.006 0.000 2.606 146 G HA2 -0.400 3.543 3.960 -0.027 0.000 0.221 146 G HA3 -0.400 3.543 3.960 -0.027 0.000 0.221 146 G C 1.870 176.768 174.900 -0.003 0.000 1.152 146 G CA 1.309 46.417 45.100 0.014 0.000 0.765 146 G HN 0.523 nan 8.290 nan 0.000 0.595 147 C N -0.011 119.294 119.300 0.008 0.000 2.446 147 C HA 0.125 4.569 4.460 -0.027 0.000 0.277 147 C C 2.944 177.917 174.990 -0.028 0.000 1.275 147 C CA 0.761 59.780 59.018 0.002 0.000 1.727 147 C CB -1.050 26.696 27.740 0.010 0.000 2.010 147 C HN 0.483 nan 8.230 nan 0.000 0.486 148 I N 0.565 121.104 120.570 -0.052 0.000 2.179 148 I HA -0.201 3.953 4.170 -0.027 0.000 0.242 148 I C 2.354 178.386 176.117 -0.141 0.000 1.088 148 I CA 1.571 62.824 61.300 -0.079 0.000 1.357 148 I CB -0.320 37.633 38.000 -0.077 0.000 1.051 148 I HN 0.337 nan 8.210 nan 0.000 0.409 149 L N -0.196 120.886 121.223 -0.235 0.000 2.056 149 L HA -0.155 4.168 4.340 -0.027 0.000 0.207 149 L C 2.706 179.452 176.870 -0.207 0.000 1.078 149 L CA 1.052 55.602 54.840 -0.483 0.000 0.749 149 L CB -0.633 40.888 42.059 -0.896 0.000 0.901 149 L HN 0.165 nan 8.230 nan 0.000 0.433 150 R N 0.447 120.920 120.500 -0.045 0.000 2.139 150 R HA -0.225 4.098 4.340 -0.027 0.000 0.243 150 R C 2.283 178.615 176.300 0.053 0.000 1.145 150 R CA 1.654 57.793 56.100 0.064 0.000 0.976 150 R CB -0.215 30.117 30.300 0.055 0.000 0.866 150 R HN 0.435 nan 8.270 nan 0.000 0.449 151 E N 0.389 120.595 120.200 0.009 0.000 2.097 151 E HA -0.216 4.118 4.350 -0.027 0.000 0.196 151 E C 1.434 178.051 176.600 0.029 0.000 1.000 151 E CA 1.736 58.142 56.400 0.009 0.000 0.804 151 E CB -0.124 29.567 29.700 -0.015 0.000 0.740 151 E HN 0.393 nan 8.360 nan 0.000 0.454 152 A N 0.806 123.651 122.820 0.042 0.000 2.167 152 A HA -0.061 4.243 4.320 -0.027 0.000 0.214 152 A C 1.900 179.569 177.584 0.143 0.000 1.151 152 A CA 0.541 52.630 52.037 0.086 0.000 0.735 152 A CB -0.262 18.799 19.000 0.102 0.000 0.802 152 A HN 0.335 nan 8.150 nan 0.000 0.467 153 Q N 0.340 120.239 119.800 0.166 0.000 2.557 153 Q HA -0.037 4.287 4.340 -0.027 0.000 0.217 153 Q C 0.106 176.149 176.000 0.071 0.000 0.978 153 Q CA 0.411 56.297 55.803 0.139 0.000 0.950 153 Q CB 0.022 28.851 28.738 0.153 0.000 0.991 153 Q HN 0.480 nan 8.270 nan 0.000 0.533 160 K N 2.150 122.320 120.400 -0.384 0.000 2.316 160 K HA 0.848 5.152 4.320 -0.027 0.000 0.251 160 K C -1.621 174.798 176.600 -0.302 0.000 0.934 160 K CA -0.224 55.936 56.287 -0.212 0.000 0.802 160 K CB 1.683 34.060 32.500 -0.204 0.000 1.171 160 K HN 0.233 nan 8.250 nan 0.000 0.426 161 F N 1.615 121.693 119.950 0.213 0.000 2.556 161 F HA 0.436 4.946 4.527 -0.028 0.000 0.314 161 F C -0.174 175.716 175.800 0.150 0.000 1.106 161 F CA -0.804 57.303 58.000 0.178 0.000 0.911 161 F CB 2.157 41.201 39.000 0.073 0.000 1.190 161 F HN 0.134 nan 8.300 nan 0.000 0.448 162 Q N 2.175 122.047 119.800 0.121 0.000 2.337 162 Q HA 0.603 4.927 4.340 -0.027 0.000 0.266 162 Q C -1.081 174.871 176.000 -0.081 0.000 1.023 162 Q CA -0.814 54.966 55.803 -0.038 0.000 0.829 162 Q CB 2.980 31.571 28.738 -0.244 0.000 1.306 162 Q HN 0.449 nan 8.270 nan 0.000 0.449 163 V N 4.055 123.936 119.914 -0.054 0.000 2.370 163 V HA 0.496 4.599 4.120 -0.027 0.000 0.283 163 V C 0.072 176.099 176.094 -0.112 0.000 1.023 163 V CA -0.559 61.700 62.300 -0.068 0.000 0.857 163 V CB 1.167 32.975 31.823 -0.025 0.000 0.985 163 V HN 0.545 nan 8.190 nan 0.000 0.443 164 L N 2.976 124.129 121.223 -0.116 0.000 2.322 164 L HA 0.649 4.973 4.340 -0.027 0.000 0.269 164 L C 0.235 177.066 176.870 -0.066 0.000 1.012 164 L CA -0.471 54.302 54.840 -0.112 0.000 0.815 164 L CB 2.069 44.059 42.059 -0.115 0.000 1.295 164 L HN 0.620 nan 8.230 nan 0.000 0.438 165 S N 1.724 117.388 115.700 -0.060 0.000 2.442 165 S HA 0.299 4.753 4.470 -0.027 0.000 0.297 165 S C -0.488 174.116 174.600 0.007 0.000 1.131 165 S CA -0.597 57.593 58.200 -0.017 0.000 1.092 165 S CB 0.289 63.473 63.200 -0.026 0.000 0.998 165 S HN 0.741 nan 8.310 nan 0.000 0.478 166 N N 5.541 124.270 118.700 0.048 0.000 2.727 166 N HA 0.323 5.046 4.740 -0.027 0.000 0.252 166 N C -3.084 172.440 175.510 0.024 0.000 1.283 166 N CA -1.566 51.528 53.050 0.074 0.000 0.782 166 N CB 1.144 39.757 38.487 0.210 0.000 1.199 166 N HN 0.330 nan 8.380 nan 0.000 0.520 167 P HA 0.029 nan 4.420 nan 0.000 0.269 167 P C -0.732 176.324 177.300 -0.406 0.000 1.215 167 P CA 0.146 63.086 63.100 -0.267 0.000 0.780 167 P CB 0.591 32.049 31.700 -0.403 0.000 0.898 168 E N 1.106 121.051 120.200 -0.424 0.000 2.313 168 E HA 0.398 4.731 4.350 -0.027 0.000 0.272 168 E C -1.136 175.096 176.600 -0.614 0.000 1.038 168 E CA -0.078 56.125 56.400 -0.329 0.000 0.863 168 E CB 0.202 29.806 29.700 -0.159 0.000 1.060 168 E HN 0.237 nan 8.360 nan 0.000 0.402 169 F N 2.241 122.188 119.950 -0.004 0.000 2.566 169 F HA 0.287 4.797 4.527 -0.029 0.000 0.347 169 F C -1.212 174.593 175.800 0.008 0.000 1.515 169 F CA -0.668 57.325 58.000 -0.012 0.000 1.103 169 F CB 0.552 39.539 39.000 -0.022 0.000 1.385 169 F HN 0.314 nan 8.300 nan 0.000 0.560 170 L N 1.412 122.702 121.223 0.111 0.000 2.325 170 L HA 0.850 5.174 4.340 -0.027 0.000 0.278 170 L C 0.131 177.038 176.870 0.063 0.000 1.023 170 L CA -1.152 53.748 54.840 0.100 0.000 0.811 170 L CB 1.442 43.560 42.059 0.097 0.000 1.249 170 L HN 0.290 nan 8.230 nan 0.000 0.431 171 A N 2.394 125.257 122.820 0.071 0.000 2.355 171 A HA 0.509 4.813 4.320 -0.027 0.000 0.324 171 A C -0.281 177.318 177.584 0.026 0.000 1.117 171 A CA -0.633 51.427 52.037 0.038 0.000 0.785 171 A CB 0.817 19.862 19.000 0.076 0.000 1.254 171 A HN 0.688 nan 8.150 nan 0.000 0.453 172 E N 0.586 120.751 120.200 -0.058 0.000 2.480 172 E HA 0.312 4.645 4.350 -0.027 0.000 0.258 172 E C 1.164 177.789 176.600 0.042 0.000 0.984 172 E CA 1.337 57.695 56.400 -0.070 0.000 0.930 172 E CB 0.128 29.721 29.700 -0.178 0.000 0.936 172 E HN 1.535 nan 8.360 nan 0.000 0.466 173 G N 3.229 112.087 108.800 0.098 0.000 2.232 173 G HA2 -0.284 3.659 3.960 -0.027 0.000 0.226 173 G HA3 -0.284 3.659 3.960 -0.027 0.000 0.226 173 G C 0.679 175.608 174.900 0.049 0.000 0.996 173 G CA 0.509 45.653 45.100 0.072 0.000 0.626 173 G HN 0.766 nan 8.290 nan 0.000 0.509 174 T N -2.811 111.779 114.554 0.060 0.000 3.399 174 T HA 0.707 5.040 4.350 -0.027 0.000 0.305 174 T C 1.879 176.616 174.700 0.062 0.000 0.983 174 T CA 1.326 63.456 62.100 0.051 0.000 0.967 174 T CB 0.591 69.493 68.868 0.057 0.000 1.186 174 T HN 1.381 nan 8.240 nan 0.000 0.504 175 A N 2.392 125.260 122.820 0.079 0.000 1.883 175 A HA 0.029 4.333 4.320 -0.027 0.000 0.217 175 A C 2.295 179.913 177.584 0.056 0.000 1.186 175 A CA 1.431 53.526 52.037 0.096 0.000 0.624 175 A CB -0.613 18.479 19.000 0.153 0.000 0.822 175 A HN 0.451 nan 8.150 nan 0.000 0.444 176 M N -0.439 119.167 119.600 0.010 0.000 2.117 176 M HA -0.084 4.380 4.480 -0.027 0.000 0.262 176 M C 2.060 178.370 176.300 0.017 0.000 1.065 176 M CA 1.485 56.775 55.300 -0.017 0.000 1.114 176 M CB -1.102 31.457 32.600 -0.068 0.000 1.361 176 M HN 0.362 nan 8.290 nan 0.000 0.408 177 K N 0.429 120.847 120.400 0.029 0.000 2.097 177 K HA -0.166 4.138 4.320 -0.027 0.000 0.206 177 K C 1.346 177.995 176.600 0.081 0.000 1.049 177 K CA 1.315 57.633 56.287 0.051 0.000 0.933 177 K CB -0.162 32.364 32.500 0.043 0.000 0.717 177 K HN 0.270 nan 8.250 nan 0.000 0.442 178 D N 0.672 121.124 120.400 0.087 0.000 2.178 178 D HA -0.111 4.513 4.640 -0.027 0.000 0.202 178 D C 1.968 178.359 176.300 0.151 0.000 0.974 178 D CA 0.785 54.850 54.000 0.109 0.000 0.841 178 D CB 0.023 40.891 40.800 0.113 0.000 0.953 178 D HN 0.190 nan 8.370 nan 0.000 0.478 179 L N 0.107 121.425 121.223 0.159 0.000 2.209 179 L HA 0.068 4.392 4.340 -0.027 0.000 0.207 179 L C 2.348 179.446 176.870 0.381 0.000 1.094 179 L CA 0.695 55.682 54.840 0.245 0.000 0.790 179 L CB -0.102 42.053 42.059 0.160 0.000 0.932 179 L HN -0.059 nan 8.230 nan 0.000 0.447 180 A N -0.653 122.312 122.820 0.242 0.000 1.935 180 A HA -0.057 4.246 4.320 -0.027 0.000 0.214 180 A C 1.190 178.975 177.584 0.336 0.000 1.178 180 A CA 1.034 53.236 52.037 0.275 0.000 0.640 180 A CB -0.178 18.886 19.000 0.106 0.000 0.825 180 A HN 0.363 nan 8.150 nan 0.000 0.447 181 N N 0.331 119.156 118.700 0.209 0.000 2.813 181 N HA 0.287 5.010 4.740 -0.027 0.000 0.282 181 N C -3.118 172.450 175.510 0.097 0.000 1.748 181 N CA -1.912 51.224 53.050 0.144 0.000 0.860 181 N CB 0.921 39.467 38.487 0.099 0.000 1.204 181 N HN 0.133 nan 8.380 nan 0.000 0.490 182 P HA 0.238 nan 4.420 nan 0.000 0.280 182 P C 0.191 177.476 177.300 -0.026 0.000 1.244 182 P CA -0.166 62.959 63.100 0.041 0.000 0.784 182 P CB 1.401 33.126 31.700 0.042 0.000 0.913 183 D N 1.253 121.617 120.400 -0.060 0.000 2.154 183 D HA -0.180 4.443 4.640 -0.027 0.000 0.190 183 D C 1.090 177.303 176.300 -0.145 0.000 1.003 183 D CA 1.938 55.871 54.000 -0.110 0.000 0.849 183 D CB 0.075 40.779 40.800 -0.160 0.000 0.942 183 D HN 0.489 nan 8.370 nan 0.000 0.446 184 R N -1.103 119.283 120.500 -0.190 0.000 2.692 184 R HA 0.483 4.807 4.340 -0.027 0.000 0.269 184 R C -1.894 174.302 176.300 -0.173 0.000 1.030 184 R CA -0.757 55.229 56.100 -0.191 0.000 0.882 184 R CB 0.709 30.878 30.300 -0.219 0.000 1.250 184 R HN -0.106 nan 8.270 nan 0.000 0.465 185 V N 2.314 122.113 119.914 -0.192 0.000 2.459 185 V HA 0.482 4.586 4.120 -0.027 0.000 0.295 185 V C -0.644 175.348 176.094 -0.169 0.000 1.029 185 V CA -0.919 61.235 62.300 -0.243 0.000 0.874 185 V CB 1.457 32.951 31.823 -0.549 0.000 0.985 185 V HN 0.647 nan 8.190 nan 0.000 0.438 186 L N 7.239 128.432 121.223 -0.049 0.000 2.333 186 L HA 0.722 5.046 4.340 -0.027 0.000 0.280 186 L C -0.800 176.051 176.870 -0.031 0.000 1.004 186 L CA 0.153 54.992 54.840 -0.003 0.000 0.820 186 L CB 1.264 43.413 42.059 0.150 0.000 1.247 186 L HN 0.563 nan 8.230 nan 0.000 0.416 187 I N 4.724 125.264 120.570 -0.050 0.000 2.499 187 I HA 0.645 4.798 4.170 -0.027 0.000 0.288 187 I C 0.165 176.249 176.117 -0.055 0.000 1.048 187 I CA -0.545 60.729 61.300 -0.043 0.000 1.062 187 I CB 2.047 40.022 38.000 -0.042 0.000 1.238 187 I HN 0.747 nan 8.210 nan 0.000 0.426 188 G N 3.280 112.040 108.800 -0.067 0.000 2.495 188 G HA2 0.809 4.752 3.960 -0.027 0.000 0.318 188 G HA3 0.809 4.752 3.960 -0.027 0.000 0.318 188 G C -0.781 174.026 174.900 -0.155 0.000 1.257 188 G CA -0.759 44.273 45.100 -0.113 0.000 0.962 188 G HN 0.827 nan 8.290 nan 0.000 0.483 189 G N -0.233 108.455 108.800 -0.186 0.000 2.708 189 G HA2 0.552 4.496 3.960 -0.027 0.000 0.289 189 G HA3 0.552 4.496 3.960 -0.027 0.000 0.289 189 G C -0.998 173.761 174.900 -0.235 0.000 1.416 189 G CA -0.741 44.240 45.100 -0.198 0.000 0.829 189 G HN 0.635 nan 8.290 nan 0.000 0.480 190 E N 0.062 120.140 120.200 -0.203 0.000 2.465 190 E HA 0.172 4.506 4.350 -0.027 0.000 0.260 190 E C 0.109 176.645 176.600 -0.106 0.000 0.980 190 E CA 0.067 56.367 56.400 -0.166 0.000 0.927 190 E CB 0.330 29.977 29.700 -0.088 0.000 0.934 190 E HN 0.261 nan 8.360 nan 0.000 0.459 191 S N 3.110 118.753 115.700 -0.094 0.000 3.455 191 S HA 0.133 4.587 4.470 -0.027 0.000 0.288 191 S C -0.480 174.108 174.600 -0.021 0.000 1.231 191 S CA -0.217 57.953 58.200 -0.050 0.000 1.031 191 S CB -0.519 62.660 63.200 -0.036 0.000 1.570 191 S HN 0.492 nan 8.310 nan 0.000 0.519 192 S N 1.383 117.075 115.700 -0.014 0.000 2.587 192 S HA 0.530 4.983 4.470 -0.027 0.000 0.269 192 S C -3.034 171.572 174.600 0.011 0.000 1.154 192 S CA -1.276 56.927 58.200 0.004 0.000 0.824 192 S CB 1.216 64.424 63.200 0.014 0.000 1.118 192 S HN 0.124 nan 8.310 nan 0.000 0.462 193 P HA 0.055 nan 4.420 nan 0.000 0.216 193 P C 1.326 178.654 177.300 0.046 0.000 1.153 193 P CA 1.001 64.114 63.100 0.021 0.000 0.844 193 P CB 0.096 31.804 31.700 0.012 0.000 0.787 194 E N -0.392 119.848 120.200 0.066 0.000 2.077 194 E HA -0.138 4.196 4.350 -0.027 0.000 0.193 194 E C 2.212 178.913 176.600 0.169 0.000 0.989 194 E CA 1.329 57.818 56.400 0.147 0.000 0.800 194 E CB -0.843 28.948 29.700 0.151 0.000 0.746 194 E HN 0.151 nan 8.360 nan 0.000 0.452 195 G N 0.970 109.815 108.800 0.076 0.000 2.440 195 G HA2 -0.252 3.692 3.960 -0.027 0.000 0.218 195 G HA3 -0.252 3.692 3.960 -0.027 0.000 0.218 195 G C 1.547 176.441 174.900 -0.009 0.000 1.154 195 G CA 0.607 45.712 45.100 0.008 0.000 0.767 195 G HN 0.172 nan 8.290 nan 0.000 0.552 196 L N -0.412 120.815 121.223 0.007 0.000 2.093 196 L HA -0.068 4.255 4.340 -0.027 0.000 0.208 196 L C 3.116 179.996 176.870 0.017 0.000 1.085 196 L CA 0.953 55.792 54.840 -0.001 0.000 0.755 196 L CB -0.366 41.693 42.059 0.000 0.000 0.904 196 L HN 0.265 nan 8.230 nan 0.000 0.435 197 Q N -0.398 119.437 119.800 0.059 0.000 2.050 197 Q HA -0.230 4.094 4.340 -0.027 0.000 0.202 197 Q C 2.428 178.475 176.000 0.079 0.000 0.980 197 Q CA 1.829 57.691 55.803 0.098 0.000 0.840 197 Q CB -0.228 28.621 28.738 0.186 0.000 0.898 197 Q HN 0.577 nan 8.270 nan 0.000 0.424 198 A N 0.017 122.857 122.820 0.032 0.000 1.902 198 A HA -0.143 4.160 4.320 -0.027 0.000 0.217 198 A C 2.293 179.806 177.584 -0.119 0.000 1.181 198 A CA 1.328 53.264 52.037 -0.168 0.000 0.623 198 A CB -0.780 17.987 19.000 -0.388 0.000 0.818 198 A HN 0.237 nan 8.150 nan 0.000 0.443 199 V N -0.050 119.817 119.914 -0.078 0.000 2.287 199 V HA -0.310 3.794 4.120 -0.027 0.000 0.248 199 V C 3.070 179.148 176.094 -0.026 0.000 1.053 199 V CA 2.130 64.396 62.300 -0.056 0.000 1.027 199 V CB -1.201 30.592 31.823 -0.051 0.000 0.646 199 V HN 0.632 nan 8.190 nan 0.000 0.447 200 A N -0.628 122.184 122.820 -0.012 0.000 1.933 200 A HA -0.198 4.105 4.320 -0.027 0.000 0.218 200 A C 2.154 179.744 177.584 0.010 0.000 1.175 200 A CA 1.650 53.689 52.037 0.003 0.000 0.628 200 A CB -0.402 18.605 19.000 0.012 0.000 0.814 200 A HN 0.532 nan 8.150 nan 0.000 0.444 201 E N -0.577 119.625 120.200 0.003 0.000 2.150 201 E HA -0.128 4.206 4.350 -0.027 0.000 0.193 201 E C 1.887 178.485 176.600 -0.004 0.000 0.985 201 E CA 0.863 57.264 56.400 0.003 0.000 0.814 201 E CB -0.437 29.263 29.700 -0.001 0.000 0.752 201 E HN 0.524 nan 8.360 nan 0.000 0.466 202 L N 0.329 121.546 121.223 -0.011 0.000 2.109 202 L HA -0.065 4.258 4.340 -0.027 0.000 0.207 202 L C 2.210 179.161 176.870 0.136 0.000 1.086 202 L CA 1.009 55.875 54.840 0.042 0.000 0.760 202 L CB -0.403 41.684 42.059 0.046 0.000 0.910 202 L HN -0.123 nan 8.230 nan 0.000 0.437 203 V N 0.100 120.068 119.914 0.090 0.000 2.332 203 V HA -0.318 3.785 4.120 -0.027 0.000 0.248 203 V C 2.794 178.929 176.094 0.068 0.000 1.055 203 V CA 2.127 64.477 62.300 0.084 0.000 1.038 203 V CB -0.732 31.104 31.823 0.022 0.000 0.651 203 V HN 0.509 nan 8.190 nan 0.000 0.450 204 R N -0.343 120.185 120.500 0.046 0.000 2.105 204 R HA -0.169 4.155 4.340 -0.027 0.000 0.239 204 R C 2.228 178.562 176.300 0.055 0.000 1.135 204 R CA 1.824 57.950 56.100 0.044 0.000 0.967 204 R CB -0.305 30.021 30.300 0.043 0.000 0.861 204 R HN 0.492 nan 8.270 nan 0.000 0.442 205 I N -0.563 120.028 120.570 0.034 0.000 2.142 205 I HA -0.304 3.850 4.170 -0.027 0.000 0.240 205 I C 1.779 177.856 176.117 -0.066 0.000 1.078 205 I CA 1.466 62.765 61.300 -0.002 0.000 1.343 205 I CB -0.384 37.569 38.000 -0.079 0.000 1.046 205 I HN 0.205 nan 8.210 nan 0.000 0.405 206 Y N 0.880 121.099 120.300 -0.134 0.000 2.293 206 Y HA -0.194 4.343 4.550 -0.023 0.000 0.291 206 Y C 2.513 178.123 175.900 -0.484 0.000 1.137 206 Y CA 1.075 58.849 58.100 -0.544 0.000 1.202 206 Y CB -0.251 37.931 38.460 -0.463 0.000 0.990 206 Y HN 0.174 nan 8.280 nan 0.000 0.537 207 E N 0.116 120.279 120.200 -0.062 0.000 2.209 207 E HA -0.219 4.115 4.350 -0.027 0.000 0.196 207 E C 1.633 178.246 176.600 0.022 0.000 0.993 207 E CA 0.652 57.028 56.400 -0.040 0.000 0.819 207 E CB -0.217 29.481 29.700 -0.002 0.000 0.745 207 E HN 0.553 nan 8.360 nan 0.000 0.477 208 N N -0.025 118.740 118.700 0.108 0.000 2.247 208 N HA -0.203 4.521 4.740 -0.027 0.000 0.189 208 N C 1.396 177.114 175.510 0.347 0.000 1.009 208 N CA 1.736 54.934 53.050 0.247 0.000 0.872 208 N CB -0.076 38.635 38.487 0.374 0.000 0.980 208 N HN 0.507 nan 8.380 nan 0.000 0.436 209 W N -1.455 119.888 121.300 0.071 0.000 1.583 209 W HA 0.387 5.036 4.660 -0.019 0.000 0.214 209 W C -1.111 175.457 176.519 0.081 0.000 0.808 209 W CA -0.258 57.128 57.345 0.068 0.000 0.964 209 W CB 0.165 29.664 29.460 0.065 0.000 0.909 209 W HN -0.364 nan 8.180 nan 0.000 0.503 210 V N 3.628 123.327 119.914 -0.359 0.000 2.459 210 V HA 0.468 4.572 4.120 -0.027 0.000 0.295 210 V C -2.019 173.989 176.094 -0.144 0.000 1.029 210 V CA -2.157 59.960 62.300 -0.304 0.000 0.874 210 V CB 1.367 32.908 31.823 -0.469 0.000 0.985 210 V HN -0.270 nan 8.190 nan 0.000 0.438 211 P HA 0.115 nan 4.420 nan 0.000 0.265 211 P C 0.607 177.864 177.300 -0.071 0.000 1.193 211 P CA -0.181 62.887 63.100 -0.053 0.000 0.765 211 P CB 0.615 32.293 31.700 -0.037 0.000 0.823 212 R N 4.674 125.142 120.500 -0.055 0.000 2.117 212 R HA -0.193 4.130 4.340 -0.027 0.000 0.243 212 R C 1.500 177.763 176.300 -0.062 0.000 1.143 212 R CA 2.139 58.205 56.100 -0.056 0.000 0.968 212 R CB -1.023 29.255 30.300 -0.037 0.000 0.863 212 R HN 0.582 nan 8.270 nan 0.000 0.444 213 N N -0.461 118.206 118.700 -0.055 0.000 2.521 213 N HA -0.096 4.627 4.740 -0.027 0.000 0.188 213 N C 0.701 176.169 175.510 -0.070 0.000 1.146 213 N CA 0.453 53.470 53.050 -0.055 0.000 0.893 213 N CB 0.019 38.480 38.487 -0.043 0.000 0.975 213 N HN 0.233 nan 8.380 nan 0.000 0.451 214 R N 0.355 120.804 120.500 -0.084 0.000 2.432 214 R HA 0.368 4.692 4.340 -0.027 0.000 0.260 214 R C -0.032 176.186 176.300 -0.137 0.000 0.935 214 R CA -0.120 55.917 56.100 -0.105 0.000 1.080 214 R CB 0.586 30.827 30.300 -0.099 0.000 1.155 214 R HN 0.201 nan 8.270 nan 0.000 0.531 215 I N 1.925 122.417 120.570 -0.131 0.000 2.312 215 I HA 0.295 4.448 4.170 -0.027 0.000 0.290 215 I C -0.182 175.868 176.117 -0.112 0.000 1.008 215 I CA -0.444 60.766 61.300 -0.150 0.000 1.226 215 I CB 1.408 39.322 38.000 -0.143 0.000 1.371 215 I HN -0.163 nan 8.210 nan 0.000 0.468 216 I N 5.915 126.417 120.570 -0.112 0.000 2.378 216 I HA 0.317 4.470 4.170 -0.027 0.000 0.291 216 I C 0.209 176.282 176.117 -0.073 0.000 0.992 216 I CA -0.371 60.878 61.300 -0.085 0.000 1.154 216 I CB 1.958 39.907 38.000 -0.085 0.000 1.315 216 I HN 0.557 nan 8.210 nan 0.000 0.448 217 T N 1.596 116.113 114.554 -0.061 0.000 2.829 217 T HA 0.818 5.152 4.350 -0.027 0.000 0.280 217 T C -0.218 174.450 174.700 -0.053 0.000 0.999 217 T CA -0.578 61.487 62.100 -0.057 0.000 0.983 217 T CB 1.938 70.774 68.868 -0.053 0.000 0.968 217 T HN 0.716 nan 8.240 nan 0.000 0.446 218 T N -0.369 114.150 114.554 -0.060 0.000 2.754 218 T HA 0.587 4.921 4.350 -0.027 0.000 0.296 218 T C -0.418 174.228 174.700 -0.089 0.000 1.205 218 T CA -1.038 61.027 62.100 -0.058 0.000 1.009 218 T CB 0.842 69.684 68.868 -0.042 0.000 1.368 218 T HN 0.873 nan 8.240 nan 0.000 0.509 219 N N -0.208 118.433 118.700 -0.099 0.000 2.399 219 N HA 0.233 4.957 4.740 -0.027 0.000 0.250 219 N C 1.088 176.439 175.510 -0.265 0.000 1.272 219 N CA 0.166 53.103 53.050 -0.188 0.000 0.928 219 N CB -0.207 38.175 38.487 -0.174 0.000 1.158 219 N HN 0.626 nan 8.380 nan 0.000 0.463 220 T N -0.594 113.646 114.554 -0.524 0.000 2.746 220 T HA -0.128 4.205 4.350 -0.027 0.000 0.267 220 T C 1.156 175.691 174.700 -0.275 0.000 1.039 220 T CA 1.491 63.262 62.100 -0.549 0.000 1.142 220 T CB -0.498 67.764 68.868 -1.009 0.000 0.866 220 T HN 0.648 nan 8.240 nan 0.000 0.444 221 W N 1.510 122.809 121.300 -0.003 0.000 2.388 221 W HA -0.023 4.621 4.660 -0.026 0.000 0.294 221 W C 2.869 179.386 176.519 -0.004 0.000 1.212 221 W CA 0.114 57.457 57.345 -0.003 0.000 1.271 221 W CB -0.604 28.855 29.460 -0.002 0.000 1.126 221 W HN 0.096 nan 8.180 nan 0.000 0.535 222 S N 0.303 116.097 115.700 0.157 0.000 2.383 222 S HA -0.251 4.203 4.470 -0.027 0.000 0.229 222 S C 1.919 176.555 174.600 0.061 0.000 1.030 222 S CA 1.663 59.916 58.200 0.088 0.000 1.002 222 S CB -0.683 62.541 63.200 0.039 0.000 0.829 222 S HN 0.298 nan 8.310 nan 0.000 0.467 223 S N 1.174 116.896 115.700 0.037 0.000 2.355 223 S HA -0.107 4.346 4.470 -0.027 0.000 0.222 223 S C 1.809 176.440 174.600 0.052 0.000 1.031 223 S CA 1.134 59.353 58.200 0.032 0.000 0.993 223 S CB -0.313 62.883 63.200 -0.006 0.000 0.859 223 S HN 0.539 nan 8.310 nan 0.000 0.453 224 E N 0.335 120.580 120.200 0.076 0.000 2.058 224 E HA -0.150 4.183 4.350 -0.027 0.000 0.194 224 E C 2.065 178.703 176.600 0.064 0.000 0.997 224 E CA 1.361 57.810 56.400 0.081 0.000 0.801 224 E CB -0.291 29.502 29.700 0.154 0.000 0.746 224 E HN 0.363 nan 8.360 nan 0.000 0.450 225 L N 0.945 122.218 121.223 0.084 0.000 2.046 225 L HA -0.161 4.162 4.340 -0.027 0.000 0.208 225 L C 2.152 179.040 176.870 0.030 0.000 1.077 225 L CA 1.754 56.623 54.840 0.048 0.000 0.747 225 L CB -0.551 41.545 42.059 0.062 0.000 0.896 225 L HN -0.057 nan 8.230 nan 0.000 0.432 226 S N -0.508 115.220 115.700 0.046 0.000 2.383 226 S HA -0.245 4.209 4.470 -0.027 0.000 0.229 226 S C 1.912 176.563 174.600 0.084 0.000 1.030 226 S CA 1.530 59.760 58.200 0.050 0.000 1.002 226 S CB -0.327 62.909 63.200 0.060 0.000 0.829 226 S HN 0.401 nan 8.310 nan 0.000 0.467 227 K N 1.942 122.390 120.400 0.079 0.000 2.002 227 K HA 0.021 4.324 4.320 -0.027 0.000 0.209 227 K C 1.817 178.430 176.600 0.021 0.000 1.048 227 K CA 1.346 57.663 56.287 0.050 0.000 0.930 227 K CB -0.727 31.716 32.500 -0.093 0.000 0.714 227 K HN 0.331 nan 8.250 nan 0.000 0.438 228 L N -0.034 121.181 121.223 -0.013 0.000 2.042 228 L HA -0.173 4.150 4.340 -0.027 0.000 0.210 228 L C 2.338 179.167 176.870 -0.069 0.000 1.076 228 L CA 1.109 55.922 54.840 -0.045 0.000 0.749 228 L CB -0.585 41.436 42.059 -0.064 0.000 0.893 228 L HN 0.009 nan 8.230 nan 0.000 0.432 229 V N 0.037 119.916 119.914 -0.059 0.000 2.358 229 V HA -0.233 3.870 4.120 -0.027 0.000 0.246 229 V C 2.774 178.924 176.094 0.094 0.000 1.047 229 V CA 1.653 63.922 62.300 -0.052 0.000 1.035 229 V CB -0.765 31.061 31.823 0.004 0.000 0.658 229 V HN 0.457 nan 8.190 nan 0.000 0.452 230 A N 0.542 123.398 122.820 0.060 0.000 1.865 230 A HA -0.256 4.048 4.320 -0.027 0.000 0.217 230 A C 2.070 179.722 177.584 0.113 0.000 1.191 230 A CA 2.211 54.283 52.037 0.057 0.000 0.623 230 A CB -0.751 18.294 19.000 0.076 0.000 0.826 230 A HN 0.565 nan 8.150 nan 0.000 0.444 231 N N 0.311 119.082 118.700 0.118 0.000 2.166 231 N HA -0.101 4.623 4.740 -0.027 0.000 0.186 231 N C 1.820 177.427 175.510 0.162 0.000 1.019 231 N CA 1.507 54.668 53.050 0.185 0.000 0.856 231 N CB -0.564 37.992 38.487 0.116 0.000 0.993 231 N HN 0.489 nan 8.380 nan 0.000 0.426 232 A N 0.025 122.874 122.820 0.049 0.000 1.902 232 A HA -0.073 4.231 4.320 -0.027 0.000 0.217 232 A C 2.046 179.709 177.584 0.131 0.000 1.181 232 A CA 0.893 52.911 52.037 -0.031 0.000 0.623 232 A CB -0.852 17.857 19.000 -0.485 0.000 0.818 232 A HN 0.189 nan 8.150 nan 0.000 0.443 233 F N 0.003 119.976 119.950 0.038 0.000 2.171 233 F HA -0.092 4.419 4.527 -0.027 0.000 0.300 233 F C 2.112 177.896 175.800 -0.026 0.000 1.090 233 F CA 1.390 59.457 58.000 0.111 0.000 1.293 233 F CB -0.265 38.771 39.000 0.061 0.000 1.013 233 F HN 0.103 nan 8.300 nan 0.000 0.486 234 L N -0.901 120.340 121.223 0.031 0.000 2.027 234 L HA -0.207 4.116 4.340 -0.027 0.000 0.206 234 L C 2.710 179.390 176.870 -0.317 0.000 1.074 234 L CA 1.241 55.912 54.840 -0.281 0.000 0.745 234 L CB -1.066 40.704 42.059 -0.481 0.000 0.898 234 L HN 0.104 nan 8.230 nan 0.000 0.433 235 A N -0.640 121.888 122.820 -0.487 0.000 1.933 235 A HA -0.282 4.022 4.320 -0.027 0.000 0.218 235 A C 2.257 179.678 177.584 -0.271 0.000 1.175 235 A CA 1.802 53.371 52.037 -0.780 0.000 0.628 235 A CB -0.586 17.848 19.000 -0.943 0.000 0.814 235 A HN 0.502 nan 8.150 nan 0.000 0.444 236 Q N -0.399 119.355 119.800 -0.077 0.000 2.096 236 Q HA -0.225 4.099 4.340 -0.027 0.000 0.204 236 Q C 2.273 178.264 176.000 -0.015 0.000 0.982 236 Q CA 1.710 57.498 55.803 -0.025 0.000 0.850 236 Q CB -0.118 28.590 28.738 -0.051 0.000 0.901 236 Q HN 0.687 nan 8.270 nan 0.000 0.422 237 R N -0.060 120.447 120.500 0.011 0.000 2.083 237 R HA -0.161 4.163 4.340 -0.027 0.000 0.237 237 R C 2.350 178.698 176.300 0.079 0.000 1.137 237 R CA 1.862 57.999 56.100 0.062 0.000 0.951 237 R CB -0.433 29.938 30.300 0.118 0.000 0.851 237 R HN 0.355 nan 8.270 nan 0.000 0.434 238 I N 0.179 120.800 120.570 0.084 0.000 2.179 238 I HA -0.288 3.865 4.170 -0.027 0.000 0.242 238 I C 2.280 178.489 176.117 0.153 0.000 1.088 238 I CA 1.317 62.687 61.300 0.116 0.000 1.357 238 I CB -0.294 37.790 38.000 0.139 0.000 1.051 238 I HN 0.085 nan 8.210 nan 0.000 0.409 239 S N 0.165 115.976 115.700 0.185 0.000 2.382 239 S HA -0.156 4.298 4.470 -0.027 0.000 0.228 239 S C 2.224 176.876 174.600 0.086 0.000 1.027 239 S CA 1.552 59.851 58.200 0.165 0.000 0.991 239 S CB -0.179 63.132 63.200 0.185 0.000 0.823 239 S HN 0.374 nan 8.310 nan 0.000 0.469 240 S N 1.259 116.985 115.700 0.043 0.000 2.368 240 S HA -0.028 4.426 4.470 -0.027 0.000 0.225 240 S C 1.810 176.439 174.600 0.048 0.000 1.030 240 S CA 0.913 59.124 58.200 0.019 0.000 0.999 240 S CB -0.303 62.894 63.200 -0.005 0.000 0.844 240 S HN 0.381 nan 8.310 nan 0.000 0.459 241 I N 2.466 123.074 120.570 0.063 0.000 2.353 241 I HA -0.096 4.057 4.170 -0.027 0.000 0.248 241 I C 1.700 177.864 176.117 0.078 0.000 1.119 241 I CA 1.068 62.408 61.300 0.067 0.000 1.417 241 I CB -0.279 37.760 38.000 0.065 0.000 1.078 241 I HN 0.121 nan 8.210 nan 0.000 0.421 242 N N 0.041 118.795 118.700 0.091 0.000 2.188 242 N HA -0.147 4.576 4.740 -0.027 0.000 0.184 242 N C 2.125 177.738 175.510 0.172 0.000 1.018 242 N CA 1.523 54.635 53.050 0.102 0.000 0.858 242 N CB -0.426 38.119 38.487 0.096 0.000 0.989 242 N HN 0.525 nan 8.380 nan 0.000 0.426 243 S N 0.797 116.608 115.700 0.184 0.000 2.368 243 S HA -0.057 4.397 4.470 -0.027 0.000 0.225 243 S C 1.894 176.600 174.600 0.177 0.000 1.030 243 S CA 0.662 58.998 58.200 0.226 0.000 0.999 243 S CB -0.334 62.915 63.200 0.081 0.000 0.844 243 S HN 0.092 nan 8.310 nan 0.000 0.459 244 I N 3.417 124.053 120.570 0.111 0.000 2.394 244 I HA -0.094 4.060 4.170 -0.027 0.000 0.251 244 I C 2.982 179.157 176.117 0.096 0.000 1.136 244 I CA 1.367 62.719 61.300 0.088 0.000 1.425 244 I CB -2.026 36.011 38.000 0.063 0.000 1.079 244 I HN 0.623 nan 8.210 nan 0.000 0.425 245 S N 2.033 117.792 115.700 0.099 0.000 2.374 245 S HA -0.233 4.220 4.470 -0.027 0.000 0.227 245 S C 2.290 176.946 174.600 0.094 0.000 1.037 245 S CA 1.455 59.705 58.200 0.083 0.000 1.024 245 S CB -0.627 62.609 63.200 0.059 0.000 0.861 245 S HN 0.413 nan 8.310 nan 0.000 0.456 246 A N 1.307 124.211 122.820 0.141 0.000 1.933 246 A HA 0.050 4.354 4.320 -0.027 0.000 0.218 246 A C 2.464 180.134 177.584 0.143 0.000 1.175 246 A CA 1.744 53.882 52.037 0.168 0.000 0.628 246 A CB -1.164 18.067 19.000 0.385 0.000 0.814 246 A HN 0.536 nan 8.150 nan 0.000 0.444 247 V N -0.755 119.236 119.914 0.128 0.000 2.343 247 V HA -0.335 3.769 4.120 -0.027 0.000 0.247 247 V C 2.661 178.798 176.094 0.072 0.000 1.051 247 V CA 2.000 64.354 62.300 0.089 0.000 1.036 247 V CB -1.272 30.593 31.823 0.069 0.000 0.654 247 V HN 0.718 nan 8.190 nan 0.000 0.451 248 C N 0.016 119.359 119.300 0.071 0.000 2.413 248 C HA -0.191 4.253 4.460 -0.027 0.000 0.277 248 C C 2.704 177.732 174.990 0.062 0.000 1.228 248 C CA 1.233 60.288 59.018 0.061 0.000 1.731 248 C CB -1.098 26.678 27.740 0.060 0.000 2.042 248 C HN 0.627 nan 8.230 nan 0.000 0.468 249 E N 0.805 121.048 120.200 0.070 0.000 2.147 249 E HA -0.243 4.090 4.350 -0.027 0.000 0.199 249 E C 2.227 178.867 176.600 0.066 0.000 1.005 249 E CA 1.610 58.053 56.400 0.071 0.000 0.810 249 E CB -0.261 29.483 29.700 0.072 0.000 0.736 249 E HN 0.724 nan 8.360 nan 0.000 0.460 250 A N 0.578 123.438 122.820 0.066 0.000 2.016 250 A HA -0.080 4.223 4.320 -0.027 0.000 0.217 250 A C 2.236 179.849 177.584 0.049 0.000 1.162 250 A CA 1.598 53.670 52.037 0.059 0.000 0.662 250 A CB -0.219 18.819 19.000 0.065 0.000 0.812 250 A HN 0.367 nan 8.150 nan 0.000 0.450 251 T N -6.359 108.223 114.554 0.047 0.000 2.971 251 T HA 0.440 4.774 4.350 -0.027 0.000 0.252 251 T C 1.410 176.132 174.700 0.036 0.000 1.022 251 T CA 1.102 63.225 62.100 0.039 0.000 0.980 251 T CB 0.522 69.412 68.868 0.037 0.000 1.044 251 T HN 1.575 nan 8.240 nan 0.000 0.501 252 G N 1.589 110.413 108.800 0.040 0.000 2.194 252 G HA2 -0.012 3.932 3.960 -0.027 0.000 0.236 252 G HA3 -0.012 3.932 3.960 -0.027 0.000 0.236 252 G C 0.464 175.384 174.900 0.034 0.000 0.987 252 G CA -0.056 45.066 45.100 0.036 0.000 0.635 252 G HN 1.145 nan 8.290 nan 0.000 0.520 253 A N -0.173 122.669 122.820 0.036 0.000 2.409 253 A HA 0.547 4.851 4.320 -0.027 0.000 0.246 253 A C 0.413 178.021 177.584 0.040 0.000 1.099 253 A CA 0.593 52.652 52.037 0.037 0.000 0.789 253 A CB 0.273 19.296 19.000 0.039 0.000 1.053 253 A HN 0.349 nan 8.150 nan 0.000 0.503 254 E N 0.064 120.288 120.200 0.040 0.000 2.234 254 E HA 0.279 4.613 4.350 -0.027 0.000 0.266 254 E C 0.243 176.871 176.600 0.047 0.000 0.877 254 E CA -0.676 55.748 56.400 0.040 0.000 0.758 254 E CB 1.748 31.467 29.700 0.033 0.000 1.170 254 E HN 0.510 nan 8.360 nan 0.000 0.415 255 I N 2.832 123.430 120.570 0.048 0.000 2.439 255 I HA -0.237 3.917 4.170 -0.027 0.000 0.251 255 I C 2.111 178.261 176.117 0.055 0.000 1.139 255 I CA 1.555 62.886 61.300 0.052 0.000 1.438 255 I CB -0.218 37.812 38.000 0.050 0.000 1.085 255 I HN 0.518 nan 8.210 nan 0.000 0.427 256 S N -0.152 115.574 115.700 0.044 0.000 2.359 256 S HA -0.251 4.203 4.470 -0.027 0.000 0.224 256 S C 1.911 176.551 174.600 0.067 0.000 1.035 256 S CA 1.547 59.772 58.200 0.041 0.000 1.018 256 S CB -0.891 62.318 63.200 0.015 0.000 0.876 256 S HN 0.604 nan 8.310 nan 0.000 0.448 257 E N 0.746 120.985 120.200 0.064 0.000 2.072 257 E HA -0.056 4.278 4.350 -0.027 0.000 0.191 257 E C 2.196 178.863 176.600 0.112 0.000 0.985 257 E CA 1.259 57.712 56.400 0.090 0.000 0.801 257 E CB -0.319 29.417 29.700 0.060 0.000 0.750 257 E HN 0.438 nan 8.360 nan 0.000 0.452 258 V N 1.288 121.254 119.914 0.087 0.000 2.358 258 V HA -0.229 3.874 4.120 -0.027 0.000 0.246 258 V C 2.322 178.477 176.094 0.100 0.000 1.047 258 V CA 1.729 64.077 62.300 0.080 0.000 1.035 258 V CB -0.694 31.167 31.823 0.063 0.000 0.658 258 V HN 0.299 nan 8.190 nan 0.000 0.452 259 A N -0.983 121.904 122.820 0.111 0.000 1.902 259 A HA -0.291 4.013 4.320 -0.027 0.000 0.217 259 A C 2.209 179.904 177.584 0.184 0.000 1.181 259 A CA 2.071 54.181 52.037 0.123 0.000 0.623 259 A CB -0.956 18.105 19.000 0.102 0.000 0.818 259 A HN 0.712 nan 8.150 nan 0.000 0.443 260 H N -0.451 118.675 119.070 0.094 0.000 2.290 260 H HA -0.150 4.390 4.556 -0.028 0.000 0.298 260 H C 2.389 177.830 175.328 0.187 0.000 1.087 260 H CA 1.512 57.649 56.048 0.148 0.000 1.291 260 H CB -0.011 29.815 29.762 0.107 0.000 1.369 260 H HN 0.466 nan 8.280 nan 0.000 0.492 261 A N 0.254 123.125 122.820 0.084 0.000 1.902 261 A HA -0.103 4.200 4.320 -0.027 0.000 0.217 261 A C 2.713 180.324 177.584 0.045 0.000 1.181 261 A CA 1.537 53.567 52.037 -0.012 0.000 0.623 261 A CB -0.725 18.280 19.000 0.008 0.000 0.818 261 A HN 0.312 nan 8.150 nan 0.000 0.443 262 V N -0.295 119.664 119.914 0.075 0.000 2.379 262 V HA -0.104 4.000 4.120 -0.027 0.000 0.245 262 V C 2.754 178.899 176.094 0.085 0.000 1.044 262 V CA 1.762 64.105 62.300 0.072 0.000 1.036 262 V CB -1.250 30.613 31.823 0.067 0.000 0.664 262 V HN 0.600 nan 8.190 nan 0.000 0.453 263 G N -1.975 106.886 108.800 0.103 0.000 2.498 263 G HA2 -0.260 3.684 3.960 -0.027 0.000 0.219 263 G HA3 -0.260 3.684 3.960 -0.027 0.000 0.219 263 G C 1.339 176.256 174.900 0.029 0.000 1.119 263 G CA 0.370 45.516 45.100 0.076 0.000 0.766 263 G HN 0.547 nan 8.290 nan 0.000 0.552 264 Y N 0.437 120.704 120.300 -0.055 0.000 2.583 264 Y HA 0.111 4.645 4.550 -0.027 0.000 0.293 264 Y C 1.004 176.882 175.900 -0.036 0.000 1.157 264 Y CA -0.186 57.872 58.100 -0.069 0.000 1.315 264 Y CB 0.385 38.761 38.460 -0.141 0.000 1.021 264 Y HN 0.069 nan 8.280 nan 0.000 0.536 265 D N -0.038 120.419 120.400 0.094 0.000 2.343 265 D HA -0.036 4.587 4.640 -0.027 0.000 0.255 265 D C 1.307 177.621 176.300 0.023 0.000 1.187 265 D CA 0.434 54.468 54.000 0.057 0.000 0.875 265 D CB 1.329 42.158 40.800 0.049 0.000 1.136 265 D HN 0.321 nan 8.370 nan 0.000 0.469 266 T N 1.801 116.363 114.554 0.013 0.000 3.007 266 T HA -0.083 4.251 4.350 -0.027 0.000 0.270 266 T C 1.547 176.247 174.700 0.000 0.000 1.107 266 T CA 0.742 62.838 62.100 -0.007 0.000 1.118 266 T CB 0.038 68.902 68.868 -0.008 0.000 0.889 266 T HN 0.382 nan 8.240 nan 0.000 0.506 267 R N -0.084 120.424 120.500 0.013 0.000 2.210 267 R HA 0.390 4.714 4.340 -0.027 0.000 0.203 267 R C 2.057 178.374 176.300 0.028 0.000 1.010 267 R CA 0.637 56.748 56.100 0.017 0.000 1.008 267 R CB -0.193 30.120 30.300 0.022 0.000 0.923 267 R HN 0.418 nan 8.270 nan 0.000 0.469 268 I N -0.262 120.327 120.570 0.033 0.000 2.385 268 I HA 0.132 4.286 4.170 -0.027 0.000 0.244 268 I C 0.998 177.138 176.117 0.038 0.000 1.089 268 I CA 0.747 62.074 61.300 0.046 0.000 1.410 268 I CB -0.145 37.886 38.000 0.051 0.000 1.117 268 I HN 0.280 nan 8.210 nan 0.000 0.429 269 G N 0.636 109.448 108.800 0.019 0.000 2.730 269 G HA2 -0.205 3.739 3.960 -0.027 0.000 0.686 269 G HA3 -0.205 3.739 3.960 -0.027 0.000 0.686 269 G C 0.349 175.260 174.900 0.018 0.000 1.343 269 G CA -0.097 45.005 45.100 0.004 0.000 0.826 269 G HN 0.394 nan 8.290 nan 0.000 0.582 270 S N -0.811 114.891 115.700 0.003 0.000 2.539 270 S HA 0.326 4.779 4.470 -0.027 0.000 0.221 270 S C 0.741 175.381 174.600 0.067 0.000 0.987 270 S CA 0.508 58.719 58.200 0.020 0.000 0.929 270 S CB 0.348 63.524 63.200 -0.040 0.000 0.832 270 S HN 0.658 nan 8.310 nan 0.000 0.492 271 K N 1.177 121.635 120.400 0.098 0.000 2.098 271 K HA 0.419 4.723 4.320 -0.027 0.000 0.257 271 K C -0.295 176.477 176.600 0.287 0.000 0.999 271 K CA -1.125 55.270 56.287 0.180 0.000 0.924 271 K CB -0.285 32.346 32.500 0.218 0.000 1.028 271 K HN 0.175 nan 8.250 nan 0.000 0.466 272 F N 0.311 120.270 119.950 0.016 0.000 3.074 272 F HA -0.222 4.288 4.527 -0.028 0.000 0.287 272 F C 0.346 176.149 175.800 0.005 0.000 0.932 272 F CA 0.342 58.343 58.000 0.001 0.000 0.995 272 F CB -1.275 37.715 39.000 -0.017 0.000 0.966 272 F HN 0.427 nan 8.300 nan 0.000 0.721 273 L N -0.389 120.882 121.223 0.080 0.000 3.358 273 L HA 0.202 4.526 4.340 -0.027 0.000 0.301 273 L C 0.638 177.527 176.870 0.033 0.000 1.276 273 L CA -0.140 54.743 54.840 0.071 0.000 1.028 273 L CB 0.556 42.668 42.059 0.089 0.000 1.421 273 L HN 0.050 nan 8.230 nan 0.000 0.604 274 Q N 2.272 122.061 119.800 -0.018 0.000 2.361 274 Q HA 0.472 4.796 4.340 -0.027 0.000 0.250 274 Q C 0.111 176.097 176.000 -0.023 0.000 1.023 274 Q CA -0.075 55.709 55.803 -0.031 0.000 0.915 274 Q CB 1.253 29.945 28.738 -0.077 0.000 1.238 274 Q HN 0.312 nan 8.270 nan 0.000 0.451 275 A N 3.622 126.441 122.820 -0.000 0.000 2.466 275 A HA 0.550 4.853 4.320 -0.027 0.000 0.238 275 A C -0.111 177.454 177.584 -0.032 0.000 1.074 275 A CA 0.529 52.566 52.037 -0.000 0.000 0.774 275 A CB 0.112 19.120 19.000 0.014 0.000 1.015 275 A HN 1.044 nan 8.150 nan 0.000 0.498 276 S N -0.308 115.361 115.700 -0.053 0.000 2.661 276 S HA 0.324 4.777 4.470 -0.027 0.000 0.268 276 S C 0.273 174.770 174.600 -0.172 0.000 1.162 276 S CA 0.144 58.282 58.200 -0.103 0.000 0.817 276 S CB 0.771 63.926 63.200 -0.076 0.000 1.141 276 S HN 1.594 nan 8.310 nan 0.000 0.477 277 V N 0.576 120.325 119.914 -0.276 0.000 2.970 277 V HA 0.461 4.565 4.120 -0.027 0.000 0.260 277 V C 1.004 176.958 176.094 -0.233 0.000 1.100 277 V CA 2.156 64.227 62.300 -0.382 0.000 1.122 277 V CB -0.283 31.179 31.823 -0.602 0.000 0.721 277 V HN 1.762 nan 8.190 nan 0.000 0.483 278 G N -0.810 107.890 108.800 -0.166 0.000 2.352 278 G HA2 0.208 4.152 3.960 -0.027 0.000 0.305 278 G HA3 0.208 4.152 3.960 -0.027 0.000 0.305 278 G C -0.772 174.068 174.900 -0.100 0.000 1.537 278 G CA -0.452 44.542 45.100 -0.177 0.000 0.959 278 G HN 0.578 nan 8.290 nan 0.000 0.668 279 F N 0.373 120.331 119.950 0.014 0.000 2.450 279 F HA 0.792 5.303 4.527 -0.027 0.000 0.339 279 F C 0.723 176.608 175.800 0.142 0.000 1.146 279 F CA -0.279 57.767 58.000 0.076 0.000 1.267 279 F CB 0.906 39.914 39.000 0.013 0.000 1.178 279 F HN 0.872 nan 8.300 nan 0.000 0.585 280 G N -0.648 108.458 108.800 0.510 0.000 3.022 280 G HA2 0.720 4.664 3.960 -0.027 0.000 0.284 280 G HA3 0.720 4.664 3.960 -0.027 0.000 0.284 280 G C -0.612 174.291 174.900 0.006 0.000 1.375 280 G CA -0.647 44.635 45.100 0.302 0.000 0.902 280 G HN 1.718 nan 8.290 nan 0.000 0.538 281 G N -1.656 106.799 108.800 -0.575 0.000 2.555 281 G HA2 0.332 4.275 3.960 -0.027 0.000 0.686 281 G HA3 0.332 4.275 3.960 -0.027 0.000 0.686 281 G C 0.769 175.383 174.900 -0.476 0.000 1.275 281 G CA 0.601 45.019 45.100 -1.136 0.000 0.871 281 G HN 1.937 nan 8.290 nan 0.000 0.603 282 S N -1.705 113.728 115.700 -0.446 0.000 2.603 282 S HA 0.153 4.606 4.470 -0.027 0.000 0.220 282 S C 1.714 176.187 174.600 -0.212 0.000 0.967 282 S CA 1.655 59.711 58.200 -0.241 0.000 0.920 282 S CB -0.196 62.890 63.200 -0.189 0.000 0.773 282 S HN 1.034 nan 8.310 nan 0.000 0.529 283 C N -0.177 118.938 119.300 -0.308 0.000 2.393 283 C HA 0.445 4.889 4.460 -0.027 0.000 0.332 283 C C 2.045 176.912 174.990 -0.206 0.000 1.423 283 C CA -0.276 58.544 59.018 -0.330 0.000 2.097 283 C CB -1.300 26.098 27.740 -0.570 0.000 2.274 283 C HN 0.516 nan 8.230 nan 0.000 0.570 284 F N 1.821 121.749 119.950 -0.036 0.000 2.060 284 F HA -0.126 4.385 4.527 -0.027 0.000 0.295 284 F C 2.721 178.543 175.800 0.035 0.000 1.120 284 F CA 1.899 59.858 58.000 -0.069 0.000 1.205 284 F CB -1.209 37.655 39.000 -0.227 0.000 0.986 284 F HN 0.286 nan 8.300 nan 0.000 0.470 285 Q N 0.694 120.723 119.800 0.382 0.000 2.050 285 Q HA -0.237 4.086 4.340 -0.027 0.000 0.202 285 Q C 2.359 178.449 176.000 0.150 0.000 0.980 285 Q CA 1.836 57.828 55.803 0.314 0.000 0.840 285 Q CB -0.207 28.682 28.738 0.251 0.000 0.898 285 Q HN 0.352 nan 8.270 nan 0.000 0.424 286 K N -0.142 120.306 120.400 0.081 0.000 2.044 286 K HA -0.216 4.088 4.320 -0.027 0.000 0.210 286 K C 1.373 177.986 176.600 0.022 0.000 1.049 286 K CA 1.981 58.284 56.287 0.026 0.000 0.927 286 K CB -0.015 32.476 32.500 -0.016 0.000 0.713 286 K HN 0.281 nan 8.250 nan 0.000 0.443 287 D N -0.073 120.339 120.400 0.019 0.000 2.149 287 D HA -0.096 4.528 4.640 -0.027 0.000 0.201 287 D C 1.934 178.239 176.300 0.008 0.000 0.972 287 D CA 0.714 54.715 54.000 0.001 0.000 0.835 287 D CB -0.051 40.739 40.800 -0.016 0.000 0.966 287 D HN 0.027 nan 8.370 nan 0.000 0.476 288 V N 0.996 120.942 119.914 0.054 0.000 2.358 288 V HA -0.186 3.918 4.120 -0.027 0.000 0.246 288 V C 2.570 178.712 176.094 0.081 0.000 1.047 288 V CA 1.097 63.434 62.300 0.062 0.000 1.035 288 V CB -0.396 31.518 31.823 0.152 0.000 0.658 288 V HN 0.213 nan 8.190 nan 0.000 0.452 289 L N -0.272 121.007 121.223 0.093 0.000 2.093 289 L HA -0.138 4.186 4.340 -0.027 0.000 0.208 289 L C 2.632 179.558 176.870 0.094 0.000 1.085 289 L CA 1.442 56.338 54.840 0.094 0.000 0.755 289 L CB -0.642 41.460 42.059 0.072 0.000 0.904 289 L HN 0.326 nan 8.230 nan 0.000 0.435 290 S N 0.347 116.082 115.700 0.058 0.000 2.374 290 S HA -0.222 4.232 4.470 -0.027 0.000 0.227 290 S C 1.841 176.491 174.600 0.084 0.000 1.037 290 S CA 1.604 59.844 58.200 0.067 0.000 1.024 290 S CB -0.363 62.850 63.200 0.022 0.000 0.861 290 S HN 0.290 nan 8.310 nan 0.000 0.456 291 L N 1.698 122.933 121.223 0.019 0.000 2.072 291 L HA 0.048 4.371 4.340 -0.027 0.000 0.205 291 L C 2.152 179.038 176.870 0.026 0.000 1.079 291 L CA 1.279 56.096 54.840 -0.038 0.000 0.752 291 L CB -0.601 41.336 42.059 -0.203 0.000 0.906 291 L HN 0.100 nan 8.230 nan 0.000 0.436 292 V N -0.608 119.361 119.914 0.091 0.000 2.282 292 V HA -0.363 3.740 4.120 -0.027 0.000 0.249 292 V C 2.328 178.492 176.094 0.116 0.000 1.057 292 V CA 2.369 64.754 62.300 0.141 0.000 1.032 292 V CB -1.025 30.897 31.823 0.165 0.000 0.645 292 V HN 0.637 nan 8.190 nan 0.000 0.447 293 Y N 0.321 120.637 120.300 0.026 0.000 2.145 293 Y HA -0.239 4.294 4.550 -0.028 0.000 0.286 293 Y C 2.242 178.144 175.900 0.003 0.000 1.145 293 Y CA 1.803 59.911 58.100 0.012 0.000 1.148 293 Y CB -0.372 38.088 38.460 -0.000 0.000 0.981 293 Y HN 0.205 nan 8.280 nan 0.000 0.507 294 L N 0.013 121.219 121.223 -0.028 0.000 1.990 294 L HA -0.293 4.031 4.340 -0.027 0.000 0.213 294 L C 2.401 179.189 176.870 -0.137 0.000 1.072 294 L CA 2.300 57.079 54.840 -0.102 0.000 0.755 294 L CB -1.379 40.668 42.059 -0.020 0.000 0.889 294 L HN 0.443 nan 8.230 nan 0.000 0.432 295 C N -0.299 118.966 119.300 -0.058 0.000 2.429 295 C HA -0.136 4.308 4.460 -0.027 0.000 0.277 295 C C 2.529 177.479 174.990 -0.068 0.000 1.262 295 C CA 0.896 59.899 59.018 -0.025 0.000 1.733 295 C CB -1.090 26.690 27.740 0.067 0.000 2.010 295 C HN 0.609 nan 8.230 nan 0.000 0.483 296 E N 1.283 121.420 120.200 -0.104 0.000 2.058 296 E HA -0.220 4.114 4.350 -0.027 0.000 0.194 296 E C 2.287 178.768 176.600 -0.197 0.000 0.997 296 E CA 1.875 58.196 56.400 -0.131 0.000 0.801 296 E CB -0.270 29.347 29.700 -0.138 0.000 0.746 296 E HN 0.796 nan 8.360 nan 0.000 0.450 297 S N 0.663 116.159 115.700 -0.340 0.000 2.423 297 S HA -0.069 4.384 4.470 -0.027 0.000 0.231 297 S C 1.827 176.321 174.600 -0.176 0.000 1.014 297 S CA 0.610 58.621 58.200 -0.315 0.000 0.965 297 S CB -0.226 62.700 63.200 -0.458 0.000 0.785 297 S HN 0.176 nan 8.310 nan 0.000 0.495 298 L N 1.419 122.558 121.223 -0.140 0.000 2.612 298 L HA 0.261 4.585 4.340 -0.027 0.000 0.230 298 L C 0.801 177.632 176.870 -0.064 0.000 1.140 298 L CA 0.139 54.925 54.840 -0.091 0.000 0.896 298 L CB -1.081 40.935 42.059 -0.072 0.000 1.065 298 L HN 0.387 nan 8.230 nan 0.000 0.447 299 N N 1.221 119.882 118.700 -0.066 0.000 2.725 299 N HA -0.233 4.491 4.740 -0.027 0.000 0.251 299 N C -0.655 174.838 175.510 -0.027 0.000 1.031 299 N CA 0.524 53.548 53.050 -0.043 0.000 0.720 299 N CB -1.150 37.316 38.487 -0.036 0.000 0.930 299 N HN 0.360 nan 8.380 nan 0.000 0.543 300 L N 0.406 121.617 121.223 -0.021 0.000 2.709 300 L HA 0.353 4.677 4.340 -0.027 0.000 0.236 300 L C -1.231 175.649 176.870 0.017 0.000 1.266 300 L CA -1.461 53.379 54.840 0.001 0.000 0.987 300 L CB 1.002 43.068 42.059 0.013 0.000 1.306 300 L HN 0.102 nan 8.230 nan 0.000 0.467 301 P HA -0.144 nan 4.420 nan 0.000 0.221 301 P C 0.950 178.271 177.300 0.035 0.000 1.150 301 P CA 1.042 64.153 63.100 0.019 0.000 0.800 301 P CB 0.518 32.223 31.700 0.008 0.000 0.787 302 Q N 0.051 119.866 119.800 0.024 0.000 2.050 302 Q HA -0.099 4.224 4.340 -0.027 0.000 0.202 302 Q C 2.345 178.376 176.000 0.051 0.000 0.980 302 Q CA 1.547 57.362 55.803 0.021 0.000 0.840 302 Q CB -1.408 27.325 28.738 -0.008 0.000 0.898 302 Q HN 0.106 nan 8.270 nan 0.000 0.424 303 V N 0.839 120.796 119.914 0.072 0.000 2.307 303 V HA -0.261 3.842 4.120 -0.027 0.000 0.245 303 V C 2.235 178.501 176.094 0.287 0.000 1.045 303 V CA 1.628 64.028 62.300 0.167 0.000 1.024 303 V CB -1.344 30.592 31.823 0.187 0.000 0.651 303 V HN 0.441 nan 8.190 nan 0.000 0.449 304 A N 0.401 123.341 122.820 0.199 0.000 1.884 304 A HA -0.340 3.963 4.320 -0.027 0.000 0.219 304 A C 2.003 179.689 177.584 0.169 0.000 1.197 304 A CA 2.466 54.615 52.037 0.187 0.000 0.637 304 A CB -0.880 18.180 19.000 0.100 0.000 0.827 304 A HN 0.551 nan 8.150 nan 0.000 0.450 305 D N -2.009 118.457 120.400 0.110 0.000 2.123 305 D HA -0.162 4.461 4.640 -0.027 0.000 0.196 305 D C 1.690 178.022 176.300 0.054 0.000 0.992 305 D CA 1.643 55.684 54.000 0.068 0.000 0.833 305 D CB -0.482 40.343 40.800 0.040 0.000 0.954 305 D HN 0.646 nan 8.370 nan 0.000 0.455 306 Y N -0.223 120.020 120.300 -0.096 0.000 2.145 306 Y HA -0.230 4.304 4.550 -0.028 0.000 0.286 306 Y C 2.011 177.706 175.900 -0.342 0.000 1.145 306 Y CA 1.699 59.634 58.100 -0.274 0.000 1.148 306 Y CB -0.545 37.675 38.460 -0.400 0.000 0.981 306 Y HN -0.019 nan 8.280 nan 0.000 0.507 307 W N 0.061 121.397 121.300 0.059 0.000 2.436 307 W HA -0.085 4.559 4.660 -0.027 0.000 0.284 307 W C 2.527 179.028 176.519 -0.030 0.000 1.225 307 W CA 1.004 58.334 57.345 -0.026 0.000 1.271 307 W CB -0.546 28.950 29.460 0.060 0.000 1.114 307 W HN 0.108 nan 8.180 nan 0.000 0.559 308 Q N 0.773 120.675 119.800 0.169 0.000 2.181 308 Q HA -0.094 4.230 4.340 -0.027 0.000 0.205 308 Q C 2.282 178.301 176.000 0.033 0.000 0.980 308 Q CA 2.166 58.031 55.803 0.104 0.000 0.862 308 Q CB -0.879 27.906 28.738 0.079 0.000 0.905 308 Q HN 0.213 nan 8.270 nan 0.000 0.429 309 G N -0.486 108.280 108.800 -0.056 0.000 2.450 309 G HA2 -0.229 3.714 3.960 -0.027 0.000 0.220 309 G HA3 -0.229 3.714 3.960 -0.027 0.000 0.220 309 G C 1.411 176.272 174.900 -0.064 0.000 1.130 309 G CA 1.039 46.072 45.100 -0.110 0.000 0.760 309 G HN 0.316 nan 8.290 nan 0.000 0.557 310 V N 1.571 121.468 119.914 -0.028 0.000 2.287 310 V HA -0.187 3.916 4.120 -0.027 0.000 0.248 310 V C 2.777 178.984 176.094 0.189 0.000 1.053 310 V CA 1.383 63.740 62.300 0.096 0.000 1.027 310 V CB -0.356 31.570 31.823 0.171 0.000 0.646 310 V HN 0.290 nan 8.190 nan 0.000 0.447 311 I N 0.551 121.223 120.570 0.170 0.000 2.252 311 I HA -0.134 4.019 4.170 -0.027 0.000 0.245 311 I C 2.301 178.450 176.117 0.052 0.000 1.102 311 I CA 1.314 62.692 61.300 0.131 0.000 1.385 311 I CB -1.662 36.413 38.000 0.124 0.000 1.064 311 I HN 0.372 nan 8.210 nan 0.000 0.414 312 N N 1.254 119.979 118.700 0.041 0.000 2.069 312 N HA -0.160 4.564 4.740 -0.027 0.000 0.191 312 N C 1.891 177.444 175.510 0.073 0.000 1.031 312 N CA 1.224 54.291 53.050 0.027 0.000 0.852 312 N CB -0.281 38.192 38.487 -0.023 0.000 1.018 312 N HN 0.208 nan 8.380 nan 0.000 0.423 313 I N 1.291 121.901 120.570 0.066 0.000 2.179 313 I HA -0.217 3.937 4.170 -0.027 0.000 0.242 313 I C 1.936 178.170 176.117 0.195 0.000 1.088 313 I CA 1.061 62.465 61.300 0.174 0.000 1.357 313 I CB -1.203 36.867 38.000 0.117 0.000 1.051 313 I HN 0.154 nan 8.210 nan 0.000 0.409 314 N N 1.546 120.263 118.700 0.030 0.000 2.069 314 N HA -0.195 4.529 4.740 -0.027 0.000 0.191 314 N C 1.488 176.930 175.510 -0.114 0.000 1.031 314 N CA 1.584 54.530 53.050 -0.173 0.000 0.852 314 N CB -0.115 38.016 38.487 -0.592 0.000 1.018 314 N HN 0.258 nan 8.380 nan 0.000 0.423 315 N N -0.881 117.795 118.700 -0.040 0.000 2.270 315 N HA -0.115 4.608 4.740 -0.027 0.000 0.181 315 N C 1.318 176.887 175.510 0.097 0.000 1.016 315 N CA 0.576 53.624 53.050 -0.004 0.000 0.870 315 N CB -0.486 38.003 38.487 0.003 0.000 0.979 315 N HN 0.465 nan 8.380 nan 0.000 0.431 316 W N 2.216 123.488 121.300 -0.046 0.000 2.379 316 W HA -0.122 4.521 4.660 -0.028 0.000 0.307 316 W C 2.462 178.974 176.519 -0.012 0.000 1.200 316 W CA 1.335 58.663 57.345 -0.028 0.000 1.297 316 W CB -0.510 28.931 29.460 -0.031 0.000 1.140 316 W HN 0.036 nan 8.180 nan 0.000 0.507 317 Q N 0.742 120.455 119.800 -0.146 0.000 2.045 317 Q HA -0.264 4.060 4.340 -0.027 0.000 0.206 317 Q C 2.282 178.158 176.000 -0.207 0.000 0.991 317 Q CA 2.842 58.459 55.803 -0.309 0.000 0.851 317 Q CB -0.409 28.247 28.738 -0.136 0.000 0.911 317 Q HN 0.305 nan 8.270 nan 0.000 0.418 318 R N -0.693 119.747 120.500 -0.099 0.000 2.083 318 R HA -0.151 4.172 4.340 -0.027 0.000 0.237 318 R C 2.390 178.756 176.300 0.110 0.000 1.137 318 R CA 1.536 57.641 56.100 0.008 0.000 0.951 318 R CB -0.319 29.995 30.300 0.023 0.000 0.851 318 R HN 0.080 nan 8.270 nan 0.000 0.434 319 R N 1.697 122.221 120.500 0.040 0.000 2.066 319 R HA -0.107 4.217 4.340 -0.027 0.000 0.232 319 R C 2.105 178.301 176.300 -0.172 0.000 1.131 319 R CA 1.967 58.011 56.100 -0.092 0.000 0.955 319 R CB -0.445 29.778 30.300 -0.129 0.000 0.851 319 R HN 0.355 nan 8.270 nan 0.000 0.432 320 R N -1.182 119.143 120.500 -0.292 0.000 2.148 320 R HA -0.074 4.250 4.340 -0.027 0.000 0.223 320 R C 2.143 178.318 176.300 -0.210 0.000 1.088 320 R CA 1.314 57.210 56.100 -0.340 0.000 0.985 320 R CB -0.935 28.965 30.300 -0.667 0.000 0.880 320 R HN 0.226 nan 8.270 nan 0.000 0.451 321 F N 2.299 122.076 119.950 -0.287 0.000 2.075 321 F HA -0.053 4.458 4.527 -0.027 0.000 0.297 321 F C 2.507 178.159 175.800 -0.247 0.000 1.113 321 F CA 1.711 59.579 58.000 -0.219 0.000 1.218 321 F CB -0.554 38.349 39.000 -0.161 0.000 0.984 321 F HN 0.140 nan 8.300 nan 0.000 0.472 322 A N -0.187 122.566 122.820 -0.111 0.000 1.933 322 A HA -0.201 4.103 4.320 -0.027 0.000 0.218 322 A C 1.973 179.371 177.584 -0.308 0.000 1.175 322 A CA 1.954 53.861 52.037 -0.217 0.000 0.628 322 A CB -1.016 18.001 19.000 0.028 0.000 0.814 322 A HN 0.450 nan 8.150 nan 0.000 0.444 323 D N -0.388 119.856 120.400 -0.259 0.000 2.123 323 D HA -0.148 4.476 4.640 -0.027 0.000 0.196 323 D C 1.889 178.013 176.300 -0.293 0.000 0.992 323 D CA 1.486 55.342 54.000 -0.240 0.000 0.833 323 D CB -0.223 40.461 40.800 -0.192 0.000 0.954 323 D HN 0.505 nan 8.370 nan 0.000 0.455 324 K N -0.002 120.175 120.400 -0.372 0.000 2.097 324 K HA -0.043 4.260 4.320 -0.027 0.000 0.205 324 K C 2.210 178.473 176.600 -0.561 0.000 1.050 324 K CA 0.530 56.569 56.287 -0.412 0.000 0.938 324 K CB -0.016 32.242 32.500 -0.403 0.000 0.718 324 K HN 0.114 nan 8.250 nan 0.000 0.442 325 I N 0.524 120.542 120.570 -0.921 0.000 2.179 325 I HA -0.292 3.862 4.170 -0.027 0.000 0.242 325 I C 2.070 177.881 176.117 -0.510 0.000 1.088 325 I CA 1.209 61.835 61.300 -1.123 0.000 1.357 325 I CB -0.222 37.075 38.000 -1.172 0.000 1.051 325 I HN 0.117 nan 8.210 nan 0.000 0.409 326 I N 0.771 121.115 120.570 -0.378 0.000 2.179 326 I HA -0.295 3.859 4.170 -0.027 0.000 0.242 326 I C 2.808 178.812 176.117 -0.188 0.000 1.088 326 I CA 1.461 62.621 61.300 -0.233 0.000 1.357 326 I CB -0.493 37.402 38.000 -0.176 0.000 1.051 326 I HN 0.186 nan 8.210 nan 0.000 0.409 327 A N 0.253 122.959 122.820 -0.189 0.000 1.865 327 A HA -0.273 4.030 4.320 -0.027 0.000 0.217 327 A C 2.203 179.714 177.584 -0.121 0.000 1.191 327 A CA 2.044 54.004 52.037 -0.129 0.000 0.623 327 A CB -0.669 18.253 19.000 -0.130 0.000 0.826 327 A HN 0.348 nan 8.150 nan 0.000 0.444 328 E N -0.916 119.194 120.200 -0.150 0.000 2.265 328 E HA -0.064 4.270 4.350 -0.027 0.000 0.196 328 E C 0.442 176.863 176.600 -0.298 0.000 0.996 328 E CA 0.425 56.758 56.400 -0.113 0.000 0.832 328 E CB -0.144 29.571 29.700 0.024 0.000 0.756 328 E HN 0.369 nan 8.360 nan 0.000 0.491 329 L N 0.118 121.137 121.223 -0.340 0.000 2.888 329 L HA 0.221 4.544 4.340 -0.027 0.000 0.237 329 L C -0.340 176.248 176.870 -0.471 0.000 1.288 329 L CA 0.366 54.864 54.840 -0.569 0.000 1.110 329 L CB -1.131 40.738 42.059 -0.317 0.000 1.441 329 L HN 0.164 nan 8.230 nan 0.000 0.474 330 F N -1.549 118.393 119.950 -0.014 0.000 2.988 330 F HA -0.367 4.144 4.527 -0.027 0.000 0.287 330 F C 1.283 177.062 175.800 -0.035 0.000 0.781 330 F CA 0.367 58.356 58.000 -0.018 0.000 1.221 330 F CB -2.047 36.946 39.000 -0.012 0.000 1.392 330 F HN 0.396 nan 8.300 nan 0.000 0.425 331 N N 0.062 118.791 118.700 0.047 0.000 2.741 331 N HA -0.219 4.504 4.740 -0.027 0.000 0.251 331 N C -0.393 175.121 175.510 0.006 0.000 1.112 331 N CA 1.606 54.659 53.050 0.004 0.000 0.750 331 N CB -0.681 37.815 38.487 0.016 0.000 1.119 331 N HN 0.648 nan 8.380 nan 0.000 0.561 332 T N -1.399 113.163 114.554 0.012 0.000 3.071 332 T HA 0.558 4.892 4.350 -0.027 0.000 0.311 332 T C 0.132 174.810 174.700 -0.036 0.000 1.042 332 T CA 0.032 62.134 62.100 0.003 0.000 1.028 332 T CB 0.879 69.771 68.868 0.039 0.000 1.068 332 T HN 0.524 nan 8.240 nan 0.000 0.451 333 V N 1.399 121.285 119.914 -0.046 0.000 3.355 333 V HA 0.429 4.532 4.120 -0.027 0.000 0.330 333 V C 0.499 176.578 176.094 -0.025 0.000 1.479 333 V CA -0.418 61.839 62.300 -0.071 0.000 1.150 333 V CB -0.177 31.595 31.823 -0.084 0.000 1.044 333 V HN 0.759 nan 8.190 nan 0.000 0.501 334 T N 2.785 117.339 114.554 -0.000 0.000 2.902 334 T HA 0.202 4.536 4.350 -0.027 0.000 0.301 334 T C 0.707 175.424 174.700 0.029 0.000 1.012 334 T CA 1.342 63.468 62.100 0.043 0.000 1.151 334 T CB 0.211 69.088 68.868 0.015 0.000 0.946 334 T HN 0.685 nan 8.240 nan 0.000 0.542 335 D N 0.050 120.482 120.400 0.052 0.000 3.028 335 D HA -0.162 4.462 4.640 -0.027 0.000 0.211 335 D C 0.355 176.669 176.300 0.023 0.000 1.136 335 D CA 1.360 55.383 54.000 0.039 0.000 0.987 335 D CB -0.557 40.268 40.800 0.042 0.000 1.128 335 D HN 0.640 nan 8.370 nan 0.000 0.406 336 K N 1.341 121.732 120.400 -0.015 0.000 2.276 336 K HA 0.155 4.458 4.320 -0.027 0.000 0.283 336 K C 0.163 176.770 176.600 0.012 0.000 1.044 336 K CA -0.367 55.881 56.287 -0.065 0.000 0.944 336 K CB 0.860 33.219 32.500 -0.234 0.000 1.012 336 K HN -0.130 nan 8.250 nan 0.000 0.472 337 K N 5.675 126.150 120.400 0.126 0.000 2.312 337 K HA 0.175 4.478 4.320 -0.027 0.000 0.287 337 K C -0.777 175.885 176.600 0.103 0.000 1.062 337 K CA -0.329 56.027 56.287 0.115 0.000 0.934 337 K CB 0.484 33.055 32.500 0.118 0.000 1.027 337 K HN 0.667 nan 8.250 nan 0.000 0.478 338 I N 2.410 123.007 120.570 0.046 0.000 2.498 338 I HA 0.395 4.549 4.170 -0.027 0.000 0.290 338 I C -1.220 174.900 176.117 0.004 0.000 1.032 338 I CA -0.531 60.780 61.300 0.017 0.000 1.073 338 I CB 1.838 39.829 38.000 -0.016 0.000 1.251 338 I HN 0.669 nan 8.210 nan 0.000 0.426 339 A N 8.566 131.365 122.820 -0.036 0.000 2.252 339 A HA 0.610 4.913 4.320 -0.027 0.000 0.309 339 A C -0.543 176.975 177.584 -0.109 0.000 1.285 339 A CA -0.592 51.414 52.037 -0.052 0.000 0.900 339 A CB 0.235 19.180 19.000 -0.091 0.000 1.157 339 A HN 0.574 nan 8.150 nan 0.000 0.536 340 I N 3.212 123.798 120.570 0.028 0.000 2.312 340 I HA 0.140 4.294 4.170 -0.027 0.000 0.291 340 I C -0.302 175.954 176.117 0.232 0.000 1.031 340 I CA -0.059 61.288 61.300 0.078 0.000 1.293 340 I CB -0.180 37.907 38.000 0.146 0.000 1.403 340 I HN 0.560 nan 8.210 nan 0.000 0.484 341 F N 4.922 124.806 119.950 -0.111 0.000 2.423 341 F HA 0.484 4.995 4.527 -0.027 0.000 0.356 341 F C 1.080 176.805 175.800 -0.125 0.000 1.170 341 F CA -0.432 57.324 58.000 -0.406 0.000 1.163 341 F CB 0.861 39.219 39.000 -1.069 0.000 1.318 341 F HN 0.704 nan 8.300 nan 0.000 0.569 342 G N 2.615 111.663 108.800 0.414 0.000 2.885 342 G HA2 -0.194 3.749 3.960 -0.027 0.000 0.685 342 G HA3 -0.194 3.749 3.960 -0.027 0.000 0.685 342 G C -1.114 174.046 174.900 0.433 0.000 1.216 342 G CA -0.789 44.651 45.100 0.567 0.000 0.790 342 G HN 0.548 nan 8.290 nan 0.000 0.631 343 F N 1.722 121.825 119.950 0.256 0.000 2.754 343 F HA 0.653 5.164 4.527 -0.028 0.000 0.316 343 F C 1.691 177.594 175.800 0.172 0.000 0.959 343 F CA 1.395 59.492 58.000 0.162 0.000 1.148 343 F CB 0.162 39.220 39.000 0.097 0.000 0.951 343 F HN 1.113 nan 8.300 nan 0.000 0.625 344 A N 0.915 123.955 122.820 0.366 0.000 2.406 344 A HA 0.204 4.508 4.320 -0.027 0.000 0.243 344 A C 0.860 178.485 177.584 0.068 0.000 1.082 344 A CA 0.158 52.337 52.037 0.237 0.000 0.786 344 A CB -0.528 18.630 19.000 0.263 0.000 1.029 344 A HN 0.595 nan 8.150 nan 0.000 0.495 345 F N 0.449 120.399 119.950 -0.000 0.000 2.293 345 F HA 0.110 4.620 4.527 -0.028 0.000 0.300 345 F C 0.667 176.441 175.800 -0.043 0.000 1.086 345 F CA 1.112 59.097 58.000 -0.026 0.000 1.375 345 F CB -0.246 38.757 39.000 0.004 0.000 1.045 345 F HN 0.591 nan 8.300 nan 0.000 0.516 346 K N 0.442 120.310 120.400 -0.888 0.000 2.499 346 K HA 0.362 4.665 4.320 -0.027 0.000 0.277 346 K C -1.137 174.984 176.600 -0.797 0.000 1.025 346 K CA -1.229 54.621 56.287 -0.728 0.000 0.900 346 K CB 1.198 33.206 32.500 -0.819 0.000 1.494 346 K HN 0.134 nan 8.250 nan 0.000 0.442 347 K N 0.781 120.663 120.400 -0.864 0.000 2.276 347 K HA 0.144 4.448 4.320 -0.027 0.000 0.259 347 K C -0.528 175.444 176.600 -1.047 0.000 1.001 347 K CA -0.006 55.451 56.287 -1.384 0.000 0.927 347 K CB 0.043 31.933 32.500 -1.016 0.000 0.969 347 K HN 0.738 nan 8.250 nan 0.000 0.490 348 N N -1.052 116.886 118.700 -1.270 0.000 2.829 348 N HA -0.165 4.559 4.740 -0.027 0.000 0.250 348 N C -1.070 174.338 175.510 -0.170 0.000 1.090 348 N CA 1.630 54.435 53.050 -0.409 0.000 0.781 348 N CB -1.648 36.696 38.487 -0.238 0.000 1.124 348 N HN 0.875 nan 8.380 nan 0.000 0.559 349 T N -2.641 111.816 114.554 -0.162 0.000 2.864 349 T HA 0.635 4.969 4.350 -0.027 0.000 0.299 349 T C 0.881 175.686 174.700 0.175 0.000 1.166 349 T CA 0.096 62.203 62.100 0.011 0.000 1.007 349 T CB 1.540 70.356 68.868 -0.087 0.000 1.219 349 T HN 0.074 nan 8.240 nan 0.000 0.506 350 G N 0.955 109.856 108.800 0.169 0.000 3.088 350 G HA2 0.165 4.109 3.960 -0.027 0.000 0.217 350 G HA3 0.165 4.109 3.960 -0.027 0.000 0.217 350 G C 0.255 175.270 174.900 0.192 0.000 1.159 350 G CA -0.132 45.078 45.100 0.184 0.000 0.760 350 G HN 0.672 nan 8.290 nan 0.000 0.550 351 D N 1.234 121.756 120.400 0.203 0.000 2.417 351 D HA 0.137 4.760 4.640 -0.027 0.000 0.250 351 D C 1.535 178.046 176.300 0.352 0.000 1.166 351 D CA 0.443 54.608 54.000 0.275 0.000 0.881 351 D CB 1.345 42.388 40.800 0.405 0.000 1.164 351 D HN 0.156 nan 8.370 nan 0.000 0.467 352 T N 0.459 115.175 114.554 0.270 0.000 3.044 352 T HA 0.192 4.525 4.350 -0.027 0.000 0.260 352 T C 0.914 175.694 174.700 0.134 0.000 1.019 352 T CA -0.450 61.792 62.100 0.237 0.000 0.921 352 T CB 0.201 69.244 68.868 0.293 0.000 1.053 352 T HN 0.205 nan 8.240 nan 0.000 0.533 353 R N 2.452 123.000 120.500 0.081 0.000 2.522 353 R HA 0.125 4.449 4.340 -0.027 0.000 0.284 353 R C 0.081 176.337 176.300 -0.073 0.000 1.032 353 R CA -0.130 55.955 56.100 -0.025 0.000 1.049 353 R CB 0.089 30.338 30.300 -0.085 0.000 0.956 353 R HN 0.229 nan 8.270 nan 0.000 0.422 354 E N -0.245 119.952 120.200 -0.005 0.000 2.494 354 E HA -0.213 4.120 4.350 -0.027 0.000 0.249 354 E C -0.368 176.277 176.600 0.075 0.000 1.184 354 E CA 0.994 57.426 56.400 0.052 0.000 0.727 354 E CB -1.362 28.353 29.700 0.026 0.000 1.281 354 E HN 0.592 nan 8.360 nan 0.000 0.405 355 S N -0.502 115.222 115.700 0.041 0.000 2.533 355 S HA 0.196 4.650 4.470 -0.027 0.000 0.282 355 S C 1.488 176.076 174.600 -0.019 0.000 1.304 355 S CA 0.340 58.556 58.200 0.026 0.000 1.063 355 S CB 1.003 64.135 63.200 -0.115 0.000 0.881 355 S HN 0.200 nan 8.310 nan 0.000 0.493 356 S N 4.293 119.994 115.700 0.001 0.000 2.419 356 S HA -0.098 4.355 4.470 -0.027 0.000 0.233 356 S C 2.142 176.692 174.600 -0.083 0.000 1.016 356 S CA 1.145 59.331 58.200 -0.024 0.000 0.974 356 S CB -0.526 62.636 63.200 -0.065 0.000 0.786 356 S HN 0.864 nan 8.310 nan 0.000 0.492 357 A N 1.714 124.435 122.820 -0.165 0.000 1.877 357 A HA -0.078 4.225 4.320 -0.027 0.000 0.216 357 A C 1.991 179.380 177.584 -0.325 0.000 1.186 357 A CA 1.264 53.163 52.037 -0.229 0.000 0.620 357 A CB -0.744 18.075 19.000 -0.300 0.000 0.822 357 A HN 0.501 nan 8.150 nan 0.000 0.443 358 I N -0.848 119.405 120.570 -0.528 0.000 2.145 358 I HA -0.342 3.811 4.170 -0.027 0.000 0.244 358 I C 2.501 178.364 176.117 -0.423 0.000 1.075 358 I CA 1.710 62.732 61.300 -0.464 0.000 1.332 358 I CB -0.641 37.045 38.000 -0.524 0.000 1.033 358 I HN 0.445 nan 8.210 nan 0.000 0.410 359 H N -0.215 118.727 119.070 -0.214 0.000 2.372 359 H HA -0.007 4.532 4.556 -0.028 0.000 0.301 359 H C 2.545 177.579 175.328 -0.489 0.000 1.065 359 H CA 1.320 57.180 56.048 -0.312 0.000 1.364 359 H CB -0.236 29.373 29.762 -0.256 0.000 1.406 359 H HN 0.190 nan 8.280 nan 0.000 0.521 360 V N 1.455 121.268 119.914 -0.169 0.000 2.332 360 V HA -0.228 3.875 4.120 -0.027 0.000 0.248 360 V C 2.628 178.686 176.094 -0.060 0.000 1.055 360 V CA 1.502 63.759 62.300 -0.073 0.000 1.038 360 V CB -0.540 31.323 31.823 0.067 0.000 0.651 360 V HN 0.247 nan 8.190 nan 0.000 0.450 361 I N -0.214 120.319 120.570 -0.062 0.000 2.252 361 I HA -0.248 3.905 4.170 -0.027 0.000 0.245 361 I C 2.566 178.665 176.117 -0.029 0.000 1.102 361 I CA 1.717 63.011 61.300 -0.010 0.000 1.385 361 I CB -0.373 37.661 38.000 0.055 0.000 1.064 361 I HN 0.264 nan 8.210 nan 0.000 0.414 362 K N 0.228 120.569 120.400 -0.098 0.000 2.063 362 K HA -0.254 4.049 4.320 -0.027 0.000 0.208 362 K C 2.249 178.861 176.600 0.019 0.000 1.048 362 K CA 1.616 57.861 56.287 -0.071 0.000 0.928 362 K CB -0.102 32.322 32.500 -0.126 0.000 0.713 362 K HN 0.336 nan 8.250 nan 0.000 0.442 363 H N 0.746 119.825 119.070 0.015 0.000 2.353 363 H HA -0.112 4.427 4.556 -0.027 0.000 0.300 363 H C 2.145 177.463 175.328 -0.017 0.000 1.090 363 H CA 1.555 57.604 56.048 0.001 0.000 1.327 363 H CB -0.379 29.376 29.762 -0.012 0.000 1.383 363 H HN 0.201 nan 8.280 nan 0.000 0.508 364 L N -0.406 120.874 121.223 0.094 0.000 2.109 364 L HA -0.115 4.208 4.340 -0.027 0.000 0.207 364 L C 2.614 179.498 176.870 0.024 0.000 1.086 364 L CA 0.728 55.583 54.840 0.025 0.000 0.760 364 L CB -0.410 41.641 42.059 -0.014 0.000 0.910 364 L HN 0.162 nan 8.230 nan 0.000 0.437 365 M N -0.439 119.172 119.600 0.019 0.000 2.202 365 M HA -0.243 4.221 4.480 -0.027 0.000 0.262 365 M C 2.096 178.401 176.300 0.008 0.000 1.063 365 M CA 1.705 57.000 55.300 -0.008 0.000 1.097 365 M CB -0.380 32.208 32.600 -0.021 0.000 1.382 365 M HN 0.218 nan 8.290 nan 0.000 0.413 366 E N 0.068 120.306 120.200 0.064 0.000 2.110 366 E HA -0.171 4.162 4.350 -0.027 0.000 0.193 366 E C 1.380 178.088 176.600 0.180 0.000 0.988 366 E CA 0.861 57.328 56.400 0.111 0.000 0.804 366 E CB 0.016 29.777 29.700 0.102 0.000 0.745 366 E HN 0.468 nan 8.360 nan 0.000 0.458 367 E N -0.050 120.222 120.200 0.120 0.000 2.463 367 E HA -0.043 4.290 4.350 -0.027 0.000 0.191 367 E C -0.388 176.321 176.600 0.183 0.000 1.083 367 E CA 0.119 56.582 56.400 0.105 0.000 0.872 367 E CB -0.005 29.709 29.700 0.024 0.000 0.966 367 E HN 0.401 nan 8.360 nan 0.000 0.491 368 H N -1.311 117.754 119.070 -0.007 0.000 2.936 368 H HA -0.162 4.378 4.556 -0.027 0.000 0.276 368 H C 0.382 175.703 175.328 -0.012 0.000 1.216 368 H CA 0.213 56.258 56.048 -0.006 0.000 1.132 368 H CB -1.396 28.363 29.762 -0.005 0.000 1.303 368 H HN 0.234 nan 8.280 nan 0.000 0.370 369 A N 1.261 124.112 122.820 0.052 0.000 2.425 369 A HA 0.351 4.655 4.320 -0.027 0.000 0.242 369 A C 0.604 178.192 177.584 0.007 0.000 1.077 369 A CA 0.037 52.082 52.037 0.014 0.000 0.781 369 A CB 0.475 19.468 19.000 -0.011 0.000 1.020 369 A HN 0.323 nan 8.150 nan 0.000 0.494 370 K N 0.870 121.277 120.400 0.012 0.000 2.263 370 K HA 0.545 4.849 4.320 -0.027 0.000 0.272 370 K C -1.429 175.184 176.600 0.022 0.000 1.033 370 K CA 0.143 56.440 56.287 0.017 0.000 0.884 370 K CB 0.631 33.148 32.500 0.029 0.000 1.107 370 K HN 0.569 nan 8.250 nan 0.000 0.460 371 L N 2.383 123.618 121.223 0.020 0.000 2.305 371 L HA 0.368 4.692 4.340 -0.027 0.000 0.284 371 L C -0.454 176.441 176.870 0.040 0.000 1.013 371 L CA -0.429 54.428 54.840 0.029 0.000 0.819 371 L CB 2.079 44.156 42.059 0.031 0.000 1.227 371 L HN 0.487 nan 8.230 nan 0.000 0.417 372 S N 2.452 118.184 115.700 0.054 0.000 2.461 372 S HA 0.502 4.955 4.470 -0.027 0.000 0.322 372 S C -0.242 174.426 174.600 0.113 0.000 1.063 372 S CA -0.540 57.703 58.200 0.073 0.000 1.120 372 S CB 1.023 64.267 63.200 0.074 0.000 0.968 372 S HN 0.254 nan 8.310 nan 0.000 0.467 373 V N 4.880 124.860 119.914 0.110 0.000 2.427 373 V HA 0.416 4.520 4.120 -0.027 0.000 0.286 373 V C -0.713 175.502 176.094 0.202 0.000 1.034 373 V CA -0.769 61.621 62.300 0.150 0.000 0.893 373 V CB 0.713 32.587 31.823 0.086 0.000 0.982 373 V HN 0.790 nan 8.190 nan 0.000 0.452 374 Y N 3.759 124.141 120.300 0.137 0.000 2.350 374 Y HA 0.614 5.147 4.550 -0.027 0.000 0.338 374 Y C -0.672 175.307 175.900 0.133 0.000 0.961 374 Y CA -0.906 57.251 58.100 0.095 0.000 1.100 374 Y CB 1.603 40.107 38.460 0.074 0.000 1.179 374 Y HN 0.744 nan 8.280 nan 0.000 0.454 375 D N 7.466 127.443 120.400 -0.705 0.000 2.787 375 D HA 0.298 4.922 4.640 -0.027 0.000 0.246 375 D C -2.280 173.321 176.300 -1.165 0.000 1.150 375 D CA -2.052 51.476 54.000 -0.786 0.000 0.864 375 D CB 3.126 43.832 40.800 -0.157 0.000 1.481 375 D HN 0.321 nan 8.370 nan 0.000 0.509 376 P HA -0.126 nan 4.420 nan 0.000 0.217 376 P C 0.818 177.761 177.300 -0.595 0.000 1.148 376 P CA 1.404 63.900 63.100 -1.006 0.000 0.828 376 P CB 0.520 31.373 31.700 -1.412 0.000 0.783 377 K N -1.415 118.691 120.400 -0.490 0.000 2.403 377 K HA 0.121 4.424 4.320 -0.027 0.000 0.199 377 K C 0.185 176.764 176.600 -0.036 0.000 1.199 377 K CA 0.036 56.238 56.287 -0.142 0.000 0.924 377 K CB -0.199 32.364 32.500 0.106 0.000 1.137 377 K HN -0.154 nan 8.250 nan 0.000 0.510 378 V N 3.433 123.346 119.914 -0.002 0.000 2.585 378 V HA 0.067 4.171 4.120 -0.027 0.000 0.296 378 V C -0.595 175.477 176.094 -0.036 0.000 1.035 378 V CA -0.063 62.262 62.300 0.042 0.000 1.084 378 V CB 0.677 32.584 31.823 0.140 0.000 0.953 378 V HN 0.404 nan 8.190 nan 0.000 0.483 379 Q N 4.900 124.691 119.800 -0.016 0.000 2.330 379 Q HA 0.027 4.351 4.340 -0.027 0.000 0.279 379 Q C 1.205 177.158 176.000 -0.078 0.000 1.024 379 Q CA 0.492 56.272 55.803 -0.038 0.000 0.900 379 Q CB 0.681 29.410 28.738 -0.014 0.000 1.221 379 Q HN 0.811 nan 8.270 nan 0.000 0.396 380 K N 1.673 122.024 120.400 -0.081 0.000 2.059 380 K HA -0.283 4.021 4.320 -0.027 0.000 0.212 380 K C 1.953 178.496 176.600 -0.095 0.000 1.050 380 K CA 2.145 58.372 56.287 -0.099 0.000 0.927 380 K CB -0.119 32.343 32.500 -0.064 0.000 0.714 380 K HN 0.735 nan 8.250 nan 0.000 0.447 381 S N 0.289 115.955 115.700 -0.057 0.000 2.370 381 S HA -0.276 4.178 4.470 -0.027 0.000 0.226 381 S C 2.122 176.699 174.600 -0.038 0.000 1.033 381 S CA 1.485 59.661 58.200 -0.040 0.000 1.011 381 S CB -0.578 62.610 63.200 -0.020 0.000 0.852 381 S HN 0.442 nan 8.310 nan 0.000 0.457 382 Q N 1.210 120.992 119.800 -0.031 0.000 2.061 382 Q HA -0.011 4.312 4.340 -0.027 0.000 0.204 382 Q C 2.220 178.204 176.000 -0.027 0.000 0.984 382 Q CA 1.921 57.725 55.803 0.001 0.000 0.846 382 Q CB -0.557 28.203 28.738 0.038 0.000 0.902 382 Q HN 0.657 nan 8.270 nan 0.000 0.421 383 M N -0.661 118.833 119.600 -0.177 0.000 2.073 383 M HA -0.227 4.237 4.480 -0.027 0.000 0.258 383 M C 2.023 178.191 176.300 -0.220 0.000 1.070 383 M CA 1.676 56.696 55.300 -0.467 0.000 1.103 383 M CB -0.367 31.811 32.600 -0.702 0.000 1.321 383 M HN 0.305 nan 8.290 nan 0.000 0.405 384 L N -0.558 120.578 121.223 -0.145 0.000 2.141 384 L HA -0.212 4.112 4.340 -0.027 0.000 0.209 384 L C 2.082 178.937 176.870 -0.024 0.000 1.094 384 L CA 0.739 55.534 54.840 -0.075 0.000 0.763 384 L CB -0.929 41.093 42.059 -0.062 0.000 0.908 384 L HN 0.349 nan 8.230 nan 0.000 0.437 385 N N 0.227 118.921 118.700 -0.011 0.000 2.106 385 N HA -0.169 4.555 4.740 -0.027 0.000 0.188 385 N C 1.447 176.980 175.510 0.038 0.000 1.029 385 N CA 1.304 54.364 53.050 0.015 0.000 0.848 385 N CB -0.331 38.168 38.487 0.021 0.000 1.007 385 N HN 0.260 nan 8.380 nan 0.000 0.423 386 D N 0.980 121.423 120.400 0.072 0.000 2.103 386 D HA -0.118 4.506 4.640 -0.027 0.000 0.190 386 D C 2.186 178.535 176.300 0.082 0.000 0.997 386 D CA 0.729 54.798 54.000 0.114 0.000 0.833 386 D CB -0.499 40.464 40.800 0.271 0.000 0.961 386 D HN 0.206 nan 8.370 nan 0.000 0.447 387 L N 0.533 121.819 121.223 0.104 0.000 2.083 387 L HA -0.162 4.162 4.340 -0.027 0.000 0.209 387 L C 2.530 179.412 176.870 0.021 0.000 1.083 387 L CA 1.105 55.981 54.840 0.061 0.000 0.752 387 L CB -0.481 41.618 42.059 0.067 0.000 0.899 387 L HN -0.010 nan 8.230 nan 0.000 0.433 388 A N 0.271 123.102 122.820 0.018 0.000 1.933 388 A HA -0.233 4.070 4.320 -0.027 0.000 0.218 388 A C 2.534 180.127 177.584 0.015 0.000 1.175 388 A CA 2.059 54.102 52.037 0.011 0.000 0.628 388 A CB -0.669 18.337 19.000 0.009 0.000 0.814 388 A HN 0.537 nan 8.150 nan 0.000 0.444 389 S N -0.147 115.565 115.700 0.019 0.000 2.423 389 S HA -0.086 4.367 4.470 -0.027 0.000 0.231 389 S C 1.593 176.205 174.600 0.019 0.000 1.014 389 S CA 1.466 59.680 58.200 0.022 0.000 0.965 389 S CB -0.825 62.392 63.200 0.027 0.000 0.785 389 S HN 1.106 nan 8.310 nan 0.000 0.495 390 V N -0.466 119.451 119.914 0.006 0.000 3.644 390 V HA 0.285 4.388 4.120 -0.027 0.000 0.267 390 V C 1.412 177.513 176.094 0.010 0.000 1.277 390 V CA 0.802 63.104 62.300 0.004 0.000 1.096 390 V CB -0.687 31.110 31.823 -0.045 0.000 0.828 390 V HN 0.742 nan 8.190 nan 0.000 0.446 391 T N -1.044 113.514 114.554 0.007 0.000 1.812 391 T HA 0.574 4.908 4.350 -0.027 0.000 0.173 391 T C 0.510 175.215 174.700 0.009 0.000 0.710 391 T CA 0.578 62.683 62.100 0.008 0.000 1.065 391 T CB 0.754 69.620 68.868 -0.003 0.000 3.214 391 T HN 1.139 nan 8.240 nan 0.000 0.403 392 S N -0.751 114.950 115.700 0.002 0.000 2.570 392 S HA 0.736 5.190 4.470 -0.027 0.000 0.270 392 S C 1.147 175.746 174.600 -0.002 0.000 1.149 392 S CA -0.311 57.891 58.200 0.004 0.000 0.837 392 S CB 1.173 64.376 63.200 0.004 0.000 1.124 392 S HN 1.079 nan 8.310 nan 0.000 0.465 393 A N 1.055 123.876 122.820 0.001 0.000 1.917 393 A HA -0.177 4.127 4.320 -0.027 0.000 0.219 393 A C 2.143 179.723 177.584 -0.007 0.000 1.182 393 A CA 2.164 54.200 52.037 -0.002 0.000 0.633 393 A CB -1.237 17.764 19.000 0.002 0.000 0.819 393 A HN 0.943 nan 8.150 nan 0.000 0.448 394 Q N -0.538 119.259 119.800 -0.006 0.000 2.061 394 Q HA -0.253 4.071 4.340 -0.027 0.000 0.204 394 Q C 1.392 177.380 176.000 -0.021 0.000 0.984 394 Q CA 1.991 57.788 55.803 -0.009 0.000 0.846 394 Q CB -0.216 28.520 28.738 -0.005 0.000 0.902 394 Q HN 0.638 nan 8.270 nan 0.000 0.421 395 D N -0.206 120.177 120.400 -0.028 0.000 2.117 395 D HA -0.152 4.472 4.640 -0.027 0.000 0.197 395 D C 1.918 178.189 176.300 -0.048 0.000 0.987 395 D CA 1.439 55.408 54.000 -0.052 0.000 0.829 395 D CB -0.178 40.590 40.800 -0.053 0.000 0.961 395 D HN 0.324 nan 8.370 nan 0.000 0.460 396 V N 0.869 120.765 119.914 -0.029 0.000 2.548 396 V HA -0.173 3.931 4.120 -0.027 0.000 0.249 396 V C 2.199 178.279 176.094 -0.023 0.000 1.055 396 V CA 2.075 64.360 62.300 -0.024 0.000 1.065 396 V CB -0.135 31.678 31.823 -0.017 0.000 0.681 396 V HN -0.047 nan 8.190 nan 0.000 0.462 397 E N 0.920 121.108 120.200 -0.020 0.000 2.130 397 E HA -0.275 4.059 4.350 -0.027 0.000 0.196 397 E C 2.187 178.777 176.600 -0.017 0.000 0.998 397 E CA 1.986 58.376 56.400 -0.016 0.000 0.806 397 E CB -0.281 29.413 29.700 -0.011 0.000 0.738 397 E HN 0.560 nan 8.360 nan 0.000 0.459 398 R N -0.795 119.689 120.500 -0.026 0.000 2.100 398 R HA 0.223 4.546 4.340 -0.027 0.000 0.220 398 R C 1.887 178.169 176.300 -0.030 0.000 1.091 398 R CA 1.142 57.225 56.100 -0.029 0.000 0.986 398 R CB 0.071 30.343 30.300 -0.046 0.000 0.888 398 R HN 0.271 nan 8.270 nan 0.000 0.444 399 L N -0.492 120.708 121.223 -0.038 0.000 2.672 399 L HA 0.321 4.645 4.340 -0.027 0.000 0.236 399 L C -0.258 176.603 176.870 -0.014 0.000 1.092 399 L CA -0.213 54.606 54.840 -0.035 0.000 0.887 399 L CB 0.599 42.620 42.059 -0.064 0.000 1.168 399 L HN -0.025 nan 8.230 nan 0.000 0.502 400 I N 1.338 121.900 120.570 -0.013 0.000 2.355 400 I HA 0.231 4.384 4.170 -0.027 0.000 0.288 400 I C 0.201 176.315 176.117 -0.006 0.000 0.999 400 I CA 0.015 61.310 61.300 -0.007 0.000 1.163 400 I CB 1.370 39.361 38.000 -0.015 0.000 1.316 400 I HN 0.003 nan 8.210 nan 0.000 0.454 401 T N 3.779 118.336 114.554 0.005 0.000 2.807 401 T HA 0.625 4.959 4.350 -0.027 0.000 0.279 401 T C -0.480 174.227 174.700 0.011 0.000 0.993 401 T CA -0.760 61.344 62.100 0.008 0.000 0.970 401 T CB 2.052 70.932 68.868 0.020 0.000 0.950 401 T HN 0.335 nan 8.240 nan 0.000 0.441 402 V N 2.792 122.705 119.914 -0.002 0.000 2.435 402 V HA 0.642 4.746 4.120 -0.027 0.000 0.290 402 V C -0.794 175.323 176.094 0.038 0.000 1.030 402 V CA -0.518 61.782 62.300 0.000 0.000 0.881 402 V CB 1.290 33.077 31.823 -0.061 0.000 0.983 402 V HN 0.983 nan 8.190 nan 0.000 0.445 403 E N 3.706 123.962 120.200 0.093 0.000 2.207 403 E HA 0.389 4.723 4.350 -0.027 0.000 0.270 403 E C 0.513 177.230 176.600 0.194 0.000 0.927 403 E CA -0.093 56.376 56.400 0.116 0.000 0.799 403 E CB 1.994 31.765 29.700 0.117 0.000 1.172 403 E HN 0.856 nan 8.360 nan 0.000 0.404 404 S N 0.171 115.943 115.700 0.120 0.000 2.593 404 S HA 0.078 4.532 4.470 -0.027 0.000 0.217 404 S C 0.317 174.929 174.600 0.019 0.000 0.966 404 S CA -0.106 58.184 58.200 0.151 0.000 0.914 404 S CB 0.337 63.576 63.200 0.065 0.000 0.776 404 S HN 0.414 nan 8.310 nan 0.000 0.523 405 D N 1.195 121.493 120.400 -0.170 0.000 2.879 405 D HA 0.271 4.895 4.640 -0.027 0.000 0.236 405 D C -2.256 173.678 176.300 -0.610 0.000 1.171 405 D CA -1.930 51.802 54.000 -0.445 0.000 0.868 405 D CB 2.687 43.400 40.800 -0.145 0.000 1.598 405 D HN -0.143 nan 8.370 nan 0.000 0.497 406 P HA -0.118 nan 4.420 nan 0.000 0.219 406 P C 1.086 178.230 177.300 -0.261 0.000 1.150 406 P CA 0.946 63.670 63.100 -0.626 0.000 0.814 406 P CB 0.283 31.453 31.700 -0.885 0.000 0.787 407 Y N 0.550 120.772 120.300 -0.130 0.000 2.314 407 Y HA 0.072 4.606 4.550 -0.027 0.000 0.293 407 Y C 2.822 178.723 175.900 0.003 0.000 1.129 407 Y CA 1.065 59.152 58.100 -0.022 0.000 1.201 407 Y CB -1.262 37.166 38.460 -0.053 0.000 0.999 407 Y HN -0.046 nan 8.280 nan 0.000 0.541 408 A N -0.201 122.681 122.820 0.104 0.000 2.014 408 A HA 0.018 4.322 4.320 -0.027 0.000 0.218 408 A C 2.337 179.966 177.584 0.075 0.000 1.163 408 A CA 1.391 53.470 52.037 0.070 0.000 0.652 408 A CB -0.869 18.150 19.000 0.032 0.000 0.808 408 A HN 0.367 nan 8.150 nan 0.000 0.449 409 A N -0.202 122.672 122.820 0.091 0.000 1.874 409 A HA 0.341 4.645 4.320 -0.027 0.000 0.214 409 A C 2.378 180.030 177.584 0.113 0.000 1.189 409 A CA 1.468 53.580 52.037 0.125 0.000 0.615 409 A CB -0.845 18.281 19.000 0.210 0.000 0.830 409 A HN 0.966 nan 8.150 nan 0.000 0.443 410 A N -0.679 122.226 122.820 0.142 0.000 2.119 410 A HA 0.070 4.374 4.320 -0.027 0.000 0.217 410 A C 1.448 179.080 177.584 0.080 0.000 1.153 410 A CA 0.466 52.561 52.037 0.097 0.000 0.692 410 A CB -0.350 18.745 19.000 0.158 0.000 0.799 410 A HN 0.432 nan 8.150 nan 0.000 0.458 411 R N -0.108 120.445 120.500 0.089 0.000 2.404 411 R HA 0.341 4.665 4.340 -0.027 0.000 0.315 411 R C 1.155 177.476 176.300 0.035 0.000 1.032 411 R CA 1.033 57.176 56.100 0.071 0.000 0.992 411 R CB -0.279 30.065 30.300 0.074 0.000 0.959 411 R HN 0.663 nan 8.270 nan 0.000 0.428 412 G N 2.368 111.170 108.800 0.005 0.000 2.179 412 G HA2 -0.309 3.635 3.960 -0.027 0.000 0.257 412 G HA3 -0.309 3.635 3.960 -0.027 0.000 0.257 412 G C 0.011 174.882 174.900 -0.047 0.000 1.010 412 G CA 0.196 45.278 45.100 -0.031 0.000 0.736 412 G HN 0.850 nan 8.290 nan 0.000 0.513 413 A N -0.730 122.067 122.820 -0.037 0.000 2.293 413 A HA 0.741 5.044 4.320 -0.027 0.000 0.302 413 A C 0.930 178.477 177.584 -0.062 0.000 1.119 413 A CA -0.011 52.028 52.037 0.004 0.000 0.823 413 A CB 0.464 19.471 19.000 0.012 0.000 1.097 413 A HN 0.448 nan 8.150 nan 0.000 0.491 414 H N 0.302 119.353 119.070 -0.032 0.000 2.544 414 H HA 0.332 4.872 4.556 -0.027 0.000 0.269 414 H C 0.566 175.879 175.328 -0.025 0.000 0.970 414 H CA 1.140 57.162 56.048 -0.044 0.000 1.219 414 H CB 0.515 30.253 29.762 -0.040 0.000 1.421 414 H HN 0.731 nan 8.280 nan 0.000 0.555 415 A N 1.219 124.100 122.820 0.102 0.000 2.549 415 A HA 0.504 4.808 4.320 -0.027 0.000 0.297 415 A C -1.151 176.429 177.584 -0.006 0.000 1.061 415 A CA -0.617 51.478 52.037 0.096 0.000 0.690 415 A CB 1.779 20.858 19.000 0.133 0.000 1.287 415 A HN 0.022 nan 8.150 nan 0.000 0.402 416 I N 2.149 122.690 120.570 -0.049 0.000 2.378 416 I HA 0.457 4.611 4.170 -0.027 0.000 0.291 416 I C -0.520 175.510 176.117 -0.143 0.000 0.992 416 I CA -0.811 60.322 61.300 -0.279 0.000 1.154 416 I CB 1.169 38.882 38.000 -0.478 0.000 1.315 416 I HN 0.292 nan 8.210 nan 0.000 0.448 417 V N 6.736 126.543 119.914 -0.179 0.000 2.350 417 V HA 0.317 4.420 4.120 -0.027 0.000 0.285 417 V C 0.007 176.095 176.094 -0.010 0.000 1.014 417 V CA -0.928 61.384 62.300 0.021 0.000 0.831 417 V CB 2.212 34.069 31.823 0.058 0.000 1.000 417 V HN 0.523 nan 8.190 nan 0.000 0.433 418 V N 7.246 127.206 119.914 0.076 0.000 2.385 418 V HA 0.462 4.566 4.120 -0.027 0.000 0.269 418 V C 0.248 176.422 176.094 0.132 0.000 1.043 418 V CA 0.364 62.725 62.300 0.101 0.000 0.906 418 V CB 1.004 32.907 31.823 0.133 0.000 0.995 418 V HN 0.844 nan 8.190 nan 0.000 0.467 419 L N 4.813 126.123 121.223 0.145 0.000 2.840 419 L HA 0.361 4.684 4.340 -0.027 0.000 0.249 419 L C 0.489 177.421 176.870 0.103 0.000 1.119 419 L CA 0.222 55.111 54.840 0.082 0.000 0.930 419 L CB 0.819 42.927 42.059 0.081 0.000 1.295 419 L HN 0.670 nan 8.230 nan 0.000 0.534 420 T N -0.165 114.542 114.554 0.255 0.000 2.876 420 T HA 0.152 4.486 4.350 -0.027 0.000 0.289 420 T C 0.373 175.240 174.700 0.278 0.000 1.014 420 T CA -0.556 61.668 62.100 0.206 0.000 0.986 420 T CB 2.055 71.100 68.868 0.295 0.000 1.021 420 T HN 0.076 nan 8.240 nan 0.000 0.458 421 E N 1.310 121.503 120.200 -0.013 0.000 2.321 421 E HA -0.024 4.309 4.350 -0.027 0.000 0.189 421 E C -0.765 175.824 176.600 -0.017 0.000 1.125 421 E CA -0.517 55.899 56.400 0.026 0.000 1.005 421 E CB -0.274 29.388 29.700 -0.063 0.000 1.140 421 E HN 0.627 nan 8.360 nan 0.000 0.457 422 W N 1.818 123.082 121.300 -0.060 0.000 2.343 422 W HA -0.016 4.627 4.660 -0.028 0.000 0.337 422 W C 1.287 177.636 176.519 -0.284 0.000 1.320 422 W CA -0.022 57.121 57.345 -0.337 0.000 1.290 422 W CB 0.457 29.419 29.460 -0.830 0.000 1.206 422 W HN 0.082 nan 8.180 nan 0.000 0.565 423 D N 1.997 122.418 120.400 0.035 0.000 2.182 423 D HA -0.230 4.393 4.640 -0.027 0.000 0.201 423 D C 1.852 178.154 176.300 0.003 0.000 0.986 423 D CA 1.879 55.895 54.000 0.027 0.000 0.847 423 D CB -0.044 40.771 40.800 0.024 0.000 0.942 423 D HN 0.710 nan 8.370 nan 0.000 0.467 424 E N -0.098 120.047 120.200 -0.092 0.000 2.409 424 E HA -0.137 4.197 4.350 -0.027 0.000 0.198 424 E C 1.509 178.058 176.600 -0.085 0.000 1.024 424 E CA 0.534 56.860 56.400 -0.124 0.000 0.861 424 E CB -0.344 29.250 29.700 -0.176 0.000 0.788 424 E HN 0.172 nan 8.360 nan 0.000 0.521 425 F N 1.729 121.704 119.950 0.042 0.000 2.206 425 F HA 0.053 4.564 4.527 -0.027 0.000 0.298 425 F C 1.066 176.955 175.800 0.149 0.000 1.090 425 F CA -0.340 57.673 58.000 0.023 0.000 1.323 425 F CB -0.687 38.407 39.000 0.156 0.000 1.028 425 F HN -0.171 nan 8.300 nan 0.000 0.492 426 V N 1.117 121.226 119.914 0.324 0.000 2.673 426 V HA -0.020 4.083 4.120 -0.027 0.000 0.303 426 V C 0.627 176.830 176.094 0.181 0.000 1.046 426 V CA -0.632 61.828 62.300 0.267 0.000 1.126 426 V CB 0.139 32.064 31.823 0.171 0.000 0.934 426 V HN 0.340 nan 8.190 nan 0.000 0.487 427 E N 1.400 121.724 120.200 0.206 0.000 2.360 427 E HA -0.227 4.107 4.350 -0.027 0.000 0.238 427 E C -0.243 176.368 176.600 0.020 0.000 1.186 427 E CA 0.466 56.937 56.400 0.118 0.000 0.719 427 E CB -1.269 28.485 29.700 0.090 0.000 1.236 427 E HN 0.621 nan 8.360 nan 0.000 0.386 428 L N 0.045 121.192 121.223 -0.127 0.000 2.472 428 L HA 0.124 4.447 4.340 -0.027 0.000 0.260 428 L C 1.200 177.944 176.870 -0.212 0.000 1.209 428 L CA -0.288 54.381 54.840 -0.285 0.000 0.817 428 L CB 0.266 41.908 42.059 -0.695 0.000 1.106 428 L HN 0.111 nan 8.230 nan 0.000 0.479 429 N N 0.526 119.251 118.700 0.041 0.000 2.549 429 N HA -0.007 4.716 4.740 -0.027 0.000 0.267 429 N C 0.430 176.040 175.510 0.166 0.000 1.182 429 N CA 0.472 53.607 53.050 0.142 0.000 1.019 429 N CB -0.071 38.532 38.487 0.194 0.000 1.380 429 N HN 0.382 nan 8.380 nan 0.000 0.505 430 Y N 0.616 121.071 120.300 0.258 0.000 2.373 430 Y HA -0.082 4.452 4.550 -0.027 0.000 0.293 430 Y C 2.385 178.522 175.900 0.394 0.000 1.129 430 Y CA 0.542 58.843 58.100 0.335 0.000 1.226 430 Y CB 0.357 38.987 38.460 0.283 0.000 1.000 430 Y HN 0.426 nan 8.280 nan 0.000 0.549 431 S N -0.367 115.562 115.700 0.382 0.000 2.383 431 S HA -0.217 4.237 4.470 -0.027 0.000 0.227 431 S C 2.044 176.782 174.600 0.230 0.000 1.026 431 S CA 1.077 59.417 58.200 0.234 0.000 0.981 431 S CB -0.196 63.083 63.200 0.132 0.000 0.818 431 S HN 0.473 nan 8.310 nan 0.000 0.472 432 Q N 0.547 120.485 119.800 0.230 0.000 2.083 432 Q HA -0.034 4.289 4.340 -0.027 0.000 0.198 432 Q C 2.104 178.260 176.000 0.260 0.000 0.969 432 Q CA 1.034 56.957 55.803 0.199 0.000 0.838 432 Q CB -0.218 28.609 28.738 0.148 0.000 0.900 432 Q HN 0.533 nan 8.270 nan 0.000 0.436 433 I N 0.479 121.265 120.570 0.359 0.000 2.127 433 I HA -0.346 3.808 4.170 -0.027 0.000 0.241 433 I C 2.682 178.986 176.117 0.312 0.000 1.075 433 I CA 1.524 63.048 61.300 0.374 0.000 1.334 433 I CB -0.714 37.554 38.000 0.447 0.000 1.040 433 I HN 0.407 nan 8.210 nan 0.000 0.405 434 H N 1.414 120.616 119.070 0.220 0.000 2.292 434 H HA -0.288 4.252 4.556 -0.027 0.000 0.292 434 H C 2.080 177.400 175.328 -0.013 0.000 1.100 434 H CA 2.378 58.317 56.048 -0.181 0.000 1.238 434 H CB -0.347 29.138 29.762 -0.460 0.000 1.355 434 H HN 0.377 nan 8.280 nan 0.000 0.484 435 N N 0.439 119.262 118.700 0.206 0.000 2.104 435 N HA -0.137 4.586 4.740 -0.027 0.000 0.190 435 N C 0.646 176.242 175.510 0.143 0.000 1.024 435 N CA 1.561 54.726 53.050 0.193 0.000 0.853 435 N CB -0.103 38.471 38.487 0.146 0.000 1.008 435 N HN 0.438 nan 8.380 nan 0.000 0.424 436 D N -0.048 120.413 120.400 0.102 0.000 2.340 436 D HA 0.073 4.696 4.640 -0.027 0.000 0.220 436 D C 0.832 177.139 176.300 0.011 0.000 1.039 436 D CA 0.159 54.201 54.000 0.069 0.000 0.866 436 D CB 0.380 41.232 40.800 0.085 0.000 0.913 436 D HN 0.343 nan 8.370 nan 0.000 0.523 437 M N 0.350 119.902 119.600 -0.079 0.000 2.219 437 M HA 0.117 4.581 4.480 -0.027 0.000 0.280 437 M C 0.856 176.964 176.300 -0.320 0.000 1.189 437 M CA -0.326 54.846 55.300 -0.214 0.000 1.010 437 M CB 0.834 33.261 32.600 -0.288 0.000 1.422 437 M HN -0.210 nan 8.290 nan 0.000 0.504 438 Q N 0.341 119.902 119.800 -0.398 0.000 2.396 438 Q HA 0.226 4.549 4.340 -0.027 0.000 0.221 438 Q C -1.138 174.532 176.000 -0.549 0.000 1.025 438 Q CA 0.366 55.921 55.803 -0.413 0.000 0.946 438 Q CB 0.672 28.963 28.738 -0.745 0.000 1.224 438 Q HN 0.510 nan 8.270 nan 0.000 0.539 439 H N 0.208 119.189 119.070 -0.147 0.000 2.689 439 H HA 0.345 4.885 4.556 -0.027 0.000 0.346 439 H C -1.894 173.450 175.328 0.028 0.000 1.037 439 H CA -1.370 54.624 56.048 -0.090 0.000 1.234 439 H CB 1.032 30.732 29.762 -0.104 0.000 1.572 439 H HN 0.399 nan 8.280 nan 0.000 0.524 440 P HA 0.422 nan 4.420 nan 0.000 0.277 440 P C -0.940 176.321 177.300 -0.065 0.000 1.240 440 P CA -0.729 62.420 63.100 0.081 0.000 0.798 440 P CB 1.229 33.008 31.700 0.131 0.000 0.979 441 A N 1.129 123.854 122.820 -0.159 0.000 2.304 441 A HA 0.681 4.984 4.320 -0.027 0.000 0.323 441 A C -0.327 177.307 177.584 0.084 0.000 1.195 441 A CA -0.561 51.361 52.037 -0.191 0.000 0.826 441 A CB 0.838 19.493 19.000 -0.575 0.000 1.184 441 A HN 0.696 nan 8.150 nan 0.000 0.496 442 A N 2.153 125.044 122.820 0.120 0.000 2.342 442 A HA 0.751 5.054 4.320 -0.027 0.000 0.323 442 A C -0.734 176.838 177.584 -0.020 0.000 1.125 442 A CA -0.412 51.663 52.037 0.063 0.000 0.785 442 A CB 0.734 19.797 19.000 0.105 0.000 1.221 442 A HN 1.190 nan 8.150 nan 0.000 0.463 443 I N 1.475 121.864 120.570 -0.302 0.000 2.498 443 I HA 0.676 4.830 4.170 -0.027 0.000 0.290 443 I C -1.816 174.009 176.117 -0.485 0.000 1.032 443 I CA -0.847 60.209 61.300 -0.407 0.000 1.073 443 I CB 1.219 38.776 38.000 -0.739 0.000 1.251 443 I HN 0.562 nan 8.210 nan 0.000 0.426 444 F N 5.653 125.564 119.950 -0.064 0.000 2.427 444 F HA 0.328 4.838 4.527 -0.028 0.000 0.348 444 F C -0.217 175.686 175.800 0.172 0.000 1.125 444 F CA -0.677 57.359 58.000 0.061 0.000 0.989 444 F CB 1.190 40.111 39.000 -0.131 0.000 1.165 444 F HN 0.344 nan 8.300 nan 0.000 0.442 445 D N 2.602 123.183 120.400 0.301 0.000 2.428 445 D HA 0.240 4.864 4.640 -0.027 0.000 0.221 445 D C 1.060 177.487 176.300 0.212 0.000 1.123 445 D CA -0.134 53.990 54.000 0.207 0.000 0.869 445 D CB 1.357 42.197 40.800 0.067 0.000 1.032 445 D HN 0.705 nan 8.370 nan 0.000 0.506 446 G N 3.151 111.996 108.800 0.075 0.000 2.848 446 G HA2 -0.096 3.848 3.960 -0.027 0.000 0.208 446 G HA3 -0.096 3.848 3.960 -0.027 0.000 0.208 446 G C 1.212 175.986 174.900 -0.210 0.000 1.152 446 G CA 0.015 44.871 45.100 -0.406 0.000 0.789 446 G HN 0.317 nan 8.290 nan 0.000 0.531 447 R N -1.152 119.317 120.500 -0.052 0.000 2.541 447 R HA 0.236 4.559 4.340 -0.027 0.000 0.332 447 R C 0.322 176.623 176.300 0.002 0.000 0.951 447 R CA -0.498 55.587 56.100 -0.024 0.000 1.136 447 R CB 0.221 30.535 30.300 0.024 0.000 1.449 447 R HN 0.195 nan 8.270 nan 0.000 0.531 448 L N 1.123 122.356 121.223 0.017 0.000 3.730 448 L HA -0.199 4.125 4.340 -0.027 0.000 0.410 448 L C 0.905 177.790 176.870 0.025 0.000 1.234 448 L CA 0.787 55.638 54.840 0.017 0.000 0.911 448 L CB -1.811 40.251 42.059 0.005 0.000 1.942 448 L HN 0.303 nan 8.230 nan 0.000 0.860 449 I N -4.624 115.976 120.570 0.050 0.000 3.941 449 I HA 0.248 4.402 4.170 -0.027 0.000 0.321 449 I C 0.963 177.124 176.117 0.073 0.000 1.284 449 I CA -0.121 61.221 61.300 0.070 0.000 1.226 449 I CB 0.170 38.242 38.000 0.119 0.000 1.045 449 I HN 0.043 nan 8.210 nan 0.000 0.420 450 L N 1.545 122.794 121.223 0.044 0.000 2.375 450 L HA 0.406 4.730 4.340 -0.027 0.000 0.268 450 L C -0.521 176.332 176.870 -0.027 0.000 1.058 450 L CA -0.595 54.246 54.840 0.002 0.000 0.803 450 L CB 0.997 43.000 42.059 -0.093 0.000 1.212 450 L HN 0.014 nan 8.230 nan 0.000 0.451 451 D N 0.940 121.319 120.400 -0.035 0.000 2.339 451 D HA 0.057 4.681 4.640 -0.027 0.000 0.241 451 D C 0.705 176.961 176.300 -0.075 0.000 1.183 451 D CA -0.143 53.837 54.000 -0.033 0.000 0.859 451 D CB 1.172 41.972 40.800 -0.001 0.000 1.067 451 D HN 0.335 nan 8.370 nan 0.000 0.484 452 Q N 3.284 123.041 119.800 -0.070 0.000 2.046 452 Q HA -0.119 4.205 4.340 -0.027 0.000 0.200 452 Q C 1.595 177.547 176.000 -0.079 0.000 0.975 452 Q CA 0.993 56.739 55.803 -0.095 0.000 0.836 452 Q CB -0.094 28.598 28.738 -0.078 0.000 0.896 452 Q HN 0.556 nan 8.270 nan 0.000 0.428 453 K N 0.346 120.717 120.400 -0.049 0.000 2.044 453 K HA -0.144 4.160 4.320 -0.027 0.000 0.210 453 K C 1.990 178.575 176.600 -0.026 0.000 1.049 453 K CA 1.392 57.658 56.287 -0.035 0.000 0.927 453 K CB -0.120 32.367 32.500 -0.020 0.000 0.713 453 K HN 0.165 nan 8.250 nan 0.000 0.443 454 A N 1.179 123.989 122.820 -0.016 0.000 1.902 454 A HA -0.139 4.165 4.320 -0.027 0.000 0.217 454 A C 2.191 179.785 177.584 0.016 0.000 1.181 454 A CA 1.254 53.295 52.037 0.006 0.000 0.623 454 A CB -0.571 18.445 19.000 0.027 0.000 0.818 454 A HN 0.244 nan 8.150 nan 0.000 0.443 455 L N -1.360 119.853 121.223 -0.017 0.000 2.141 455 L HA -0.139 4.185 4.340 -0.027 0.000 0.209 455 L C 2.775 179.698 176.870 0.088 0.000 1.094 455 L CA 1.415 56.271 54.840 0.028 0.000 0.763 455 L CB -0.380 41.559 42.059 -0.200 0.000 0.908 455 L HN 0.409 nan 8.230 nan 0.000 0.437 456 R N 0.289 120.782 120.500 -0.012 0.000 2.073 456 R HA -0.194 4.130 4.340 -0.027 0.000 0.234 456 R C 2.187 178.472 176.300 -0.026 0.000 1.134 456 R CA 1.691 57.772 56.100 -0.031 0.000 0.952 456 R CB -0.038 30.224 30.300 -0.062 0.000 0.850 456 R HN 0.346 nan 8.270 nan 0.000 0.433 457 E N 0.174 120.360 120.200 -0.023 0.000 2.077 457 E HA -0.197 4.136 4.350 -0.027 0.000 0.193 457 E C 1.960 178.522 176.600 -0.064 0.000 0.989 457 E CA 1.552 57.932 56.400 -0.033 0.000 0.800 457 E CB -0.116 29.573 29.700 -0.018 0.000 0.746 457 E HN 0.373 nan 8.360 nan 0.000 0.452 458 I N -0.437 120.101 120.570 -0.054 0.000 2.248 458 I HA -0.241 3.913 4.170 -0.027 0.000 0.248 458 I C 1.702 177.557 176.117 -0.436 0.000 1.107 458 I CA 1.384 62.583 61.300 -0.169 0.000 1.373 458 I CB -0.242 37.746 38.000 -0.019 0.000 1.055 458 I HN 0.405 nan 8.210 nan 0.000 0.418 459 G N -0.410 108.228 108.800 -0.270 0.000 2.183 459 G HA2 -0.186 3.758 3.960 -0.027 0.000 0.168 459 G HA3 -0.186 3.758 3.960 -0.027 0.000 0.168 459 G C 0.123 175.000 174.900 -0.040 0.000 1.008 459 G CA -0.747 44.220 45.100 -0.221 0.000 0.677 459 G HN 0.152 nan 8.290 nan 0.000 0.498 460 F N 1.845 121.801 119.950 0.010 0.000 2.518 460 F HA 0.415 4.925 4.527 -0.027 0.000 0.359 460 F C 1.622 177.349 175.800 -0.123 0.000 1.118 460 F CA -0.178 57.833 58.000 0.018 0.000 1.287 460 F CB 0.582 39.537 39.000 -0.074 0.000 1.132 460 F HN -0.092 nan 8.300 nan 0.000 0.587 461 R N 1.734 122.267 120.500 0.055 0.000 2.343 461 R HA 0.120 4.444 4.340 -0.027 0.000 0.326 461 R C -0.154 175.853 176.300 -0.489 0.000 1.055 461 R CA 0.007 55.988 56.100 -0.199 0.000 0.961 461 R CB 0.371 30.635 30.300 -0.060 0.000 0.978 461 R HN 0.503 nan 8.270 nan 0.000 0.443 462 T N 3.953 118.031 114.554 -0.795 0.000 2.807 462 T HA 0.598 4.931 4.350 -0.027 0.000 0.279 462 T C -1.131 172.878 174.700 -1.152 0.000 0.993 462 T CA -0.554 61.078 62.100 -0.781 0.000 0.970 462 T CB 0.426 69.038 68.868 -0.426 0.000 0.950 462 T HN 0.308 nan 8.240 nan 0.000 0.441 463 F N 2.358 122.071 119.950 -0.395 0.000 2.565 463 F HA 0.798 5.309 4.527 -0.028 0.000 0.313 463 F C 0.223 175.986 175.800 -0.062 0.000 1.091 463 F CA -0.996 56.870 58.000 -0.223 0.000 0.915 463 F CB 2.187 41.034 39.000 -0.255 0.000 1.208 463 F HN 0.718 nan 8.300 nan 0.000 0.453 464 A N 2.655 125.588 122.820 0.188 0.000 2.414 464 A HA 0.742 5.046 4.320 -0.027 0.000 0.306 464 A C -0.720 176.980 177.584 0.194 0.000 1.054 464 A CA -0.778 51.363 52.037 0.173 0.000 0.724 464 A CB 0.906 19.947 19.000 0.068 0.000 1.267 464 A HN 0.764 nan 8.150 nan 0.000 0.418 465 I N 1.979 122.662 120.570 0.189 0.000 2.742 465 I HA 0.225 4.378 4.170 -0.027 0.000 0.287 465 I C 1.464 177.624 176.117 0.072 0.000 1.186 465 I CA 1.989 63.359 61.300 0.116 0.000 1.417 465 I CB 0.232 38.242 38.000 0.016 0.000 1.377 465 I HN 1.183 nan 8.210 nan 0.000 0.556 466 G N 3.741 112.584 108.800 0.073 0.000 2.159 466 G HA2 -0.203 3.740 3.960 -0.027 0.000 0.227 466 G HA3 -0.203 3.740 3.960 -0.027 0.000 0.227 466 G C 0.190 175.126 174.900 0.061 0.000 0.986 466 G CA -0.110 45.026 45.100 0.061 0.000 0.651 466 G HN 0.573 nan 8.290 nan 0.000 0.523 467 T N 0.666 115.263 114.554 0.072 0.000 2.824 467 T HA 0.616 4.950 4.350 -0.027 0.000 0.282 467 T C 0.193 174.943 174.700 0.084 0.000 0.993 467 T CA 0.338 62.477 62.100 0.065 0.000 0.967 467 T CB 1.842 70.739 68.868 0.048 0.000 0.960 467 T HN 0.607 nan 8.240 nan 0.000 0.441 468 S N 2.703 118.445 115.700 0.070 0.000 2.549 468 S HA 0.166 4.619 4.470 -0.027 0.000 0.283 468 S C -1.386 173.266 174.600 0.087 0.000 1.320 468 S CA -1.245 57.002 58.200 0.078 0.000 1.058 468 S CB 0.399 63.634 63.200 0.058 0.000 0.882 468 S HN 0.408 nan 8.310 nan 0.000 0.498 469 P HA 0.072 nan 4.420 nan 0.000 0.226 469 P C -0.640 176.700 177.300 0.068 0.000 1.153 469 P CA 0.792 63.983 63.100 0.150 0.000 0.777 469 P CB -0.014 31.873 31.700 0.312 0.000 0.794 470 D N -1.339 119.097 120.400 0.059 0.000 2.479 470 D HA 0.215 4.839 4.640 -0.027 0.000 0.246 470 D C -0.468 175.849 176.300 0.029 0.000 1.336 470 D CA -0.499 53.523 54.000 0.036 0.000 0.967 470 D CB 1.266 42.091 40.800 0.042 0.000 1.275 470 D HN -0.101 nan 8.370 nan 0.000 0.577 471 Q N 0.000 119.811 119.800 0.018 0.000 2.315 471 Q HA 0.000 4.324 4.340 -0.027 0.000 0.214 471 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 471 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 471 Q HN 0.000 nan 8.270 nan 0.000 0.481