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 1gre_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT CVNVGCVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.047 176.094 -0.078 0.000 1.182 18 V CA 0.000 62.242 62.300 -0.098 0.000 1.235 18 V CB 0.000 31.798 31.823 -0.042 0.000 1.184 19 A N 2.785 125.540 122.820 -0.108 0.000 2.366 19 A HA 0.793 5.113 4.320 0.000 0.000 0.272 19 A C 0.355 177.960 177.584 0.035 0.000 1.135 19 A CA 0.155 52.165 52.037 -0.045 0.000 0.804 19 A CB 1.097 20.110 19.000 0.022 0.000 1.064 19 A HN 0.973 nan 8.150 nan 0.000 0.499 20 S N 1.226 116.872 115.700 -0.090 0.000 2.509 20 S HA 0.775 5.245 4.470 0.000 0.000 0.297 20 S C -1.121 173.336 174.600 -0.237 0.000 1.118 20 S CA -0.303 57.880 58.200 -0.028 0.000 1.074 20 S CB 0.302 63.498 63.200 -0.008 0.000 1.038 20 S HN 0.512 nan 8.310 nan 0.000 0.498 21 Y N 0.752 121.127 120.300 0.125 0.000 2.665 21 Y HA 0.395 4.945 4.550 0.000 0.000 0.336 21 Y C 0.963 176.961 175.900 0.164 0.000 1.085 21 Y CA -0.860 57.316 58.100 0.126 0.000 1.096 21 Y CB 1.066 39.599 38.460 0.121 0.000 1.301 21 Y HN 0.543 nan 8.280 nan 0.000 0.493 22 D N -0.378 120.238 120.400 0.359 0.000 2.213 22 D HA -0.067 4.573 4.640 0.000 0.000 0.205 22 D C -0.737 175.902 176.300 0.564 0.000 0.961 22 D CA 1.671 55.893 54.000 0.371 0.000 0.853 22 D CB 0.440 41.381 40.800 0.236 0.000 0.967 22 D HN 0.241 nan 8.370 nan 0.000 0.496 23 Y N 0.357 120.818 120.300 0.268 0.000 2.401 23 Y HA 0.415 4.965 4.550 0.000 0.000 0.330 23 Y C -1.563 174.405 175.900 0.113 0.000 1.071 23 Y CA -1.031 57.222 58.100 0.254 0.000 1.049 23 Y CB 1.011 39.525 38.460 0.090 0.000 1.239 23 Y HN -0.272 nan 8.280 nan 0.000 0.437 24 L N 6.545 127.775 121.223 0.011 0.000 2.325 24 L HA 0.653 4.993 4.340 0.000 0.000 0.281 24 L C -1.130 175.524 176.870 -0.361 0.000 1.004 24 L CA -1.019 53.705 54.840 -0.192 0.000 0.823 24 L CB 1.518 43.548 42.059 -0.048 0.000 1.236 24 L HN 0.407 nan 8.230 nan 0.000 0.415 25 V N 5.755 125.420 119.914 -0.416 0.000 2.384 25 V HA 0.385 4.505 4.120 0.000 0.000 0.287 25 V C 0.163 176.104 176.094 -0.255 0.000 1.020 25 V CA -0.390 61.687 62.300 -0.372 0.000 0.850 25 V CB 1.836 33.420 31.823 -0.398 0.000 0.987 25 V HN 0.506 nan 8.190 nan 0.000 0.436 26 I N 4.953 125.410 120.570 -0.189 0.000 2.291 26 I HA 0.699 4.869 4.170 0.000 0.000 0.290 26 I C 0.729 176.771 176.117 -0.124 0.000 1.050 26 I CA 0.044 61.238 61.300 -0.177 0.000 1.245 26 I CB 0.935 38.822 38.000 -0.188 0.000 1.405 26 I HN 0.847 nan 8.210 nan 0.000 0.478 27 G N 3.529 112.255 108.800 -0.125 0.000 3.187 27 G HA2 0.068 4.028 3.960 0.000 0.000 0.682 27 G HA3 0.068 4.028 3.960 0.000 0.000 0.682 27 G C -0.108 174.739 174.900 -0.087 0.000 1.266 27 G CA -0.566 44.485 45.100 -0.082 0.000 0.902 27 G HN 0.875 nan 8.290 nan 0.000 0.589 28 G N 0.550 109.305 108.800 -0.075 0.000 4.125 28 G HA2 0.667 4.627 3.960 0.000 0.000 0.301 28 G HA3 0.667 4.627 3.960 0.000 0.000 0.301 28 G C 0.817 175.657 174.900 -0.100 0.000 1.273 28 G CA 0.920 45.968 45.100 -0.087 0.000 1.095 28 G HN 1.227 nan 8.290 nan 0.000 0.582 29 G N -0.101 108.644 108.800 -0.091 0.000 2.606 29 G HA2 0.385 4.345 3.960 0.000 0.000 0.262 29 G HA3 0.385 4.345 3.960 0.000 0.000 0.262 29 G C 1.199 176.023 174.900 -0.128 0.000 1.394 29 G CA 0.329 45.362 45.100 -0.112 0.000 1.044 29 G HN 0.146 nan 8.290 nan 0.000 0.553 30 S N -0.234 115.394 115.700 -0.119 0.000 2.359 30 S HA -0.163 4.307 4.470 0.000 0.000 0.222 30 S C 2.504 177.071 174.600 -0.056 0.000 1.038 30 S CA 1.940 60.078 58.200 -0.103 0.000 1.051 30 S CB -0.833 62.329 63.200 -0.064 0.000 0.944 30 S HN 0.798 nan 8.310 nan 0.000 0.433 31 G N 0.912 109.696 108.800 -0.027 0.000 2.421 31 G HA2 -0.050 3.910 3.960 0.000 0.000 0.216 31 G HA3 -0.050 3.910 3.960 0.000 0.000 0.216 31 G C 1.448 176.348 174.900 0.000 0.000 1.171 31 G CA 1.016 46.118 45.100 0.003 0.000 0.775 31 G HN 0.577 nan 8.290 nan 0.000 0.543 32 G N 0.768 109.552 108.800 -0.027 0.000 2.404 32 G HA2 -0.111 3.850 3.960 0.000 0.000 0.215 32 G HA3 -0.111 3.850 3.960 0.000 0.000 0.215 32 G C 1.839 176.707 174.900 -0.052 0.000 1.174 32 G CA 0.752 45.821 45.100 -0.051 0.000 0.780 32 G HN 0.406 nan 8.290 nan 0.000 0.537 33 L N 0.732 121.918 121.223 -0.062 0.000 2.017 33 L HA -0.084 4.257 4.340 0.000 0.000 0.208 33 L C 3.448 180.314 176.870 -0.006 0.000 1.073 33 L CA 1.170 55.981 54.840 -0.048 0.000 0.745 33 L CB -0.537 41.468 42.059 -0.089 0.000 0.894 33 L HN 0.306 nan 8.230 nan 0.000 0.432 34 A N -0.962 121.857 122.820 -0.002 0.000 1.908 34 A HA -0.244 4.076 4.320 0.000 0.000 0.218 34 A C 2.549 180.159 177.584 0.044 0.000 1.181 34 A CA 2.237 54.288 52.037 0.024 0.000 0.627 34 A CB -0.752 18.260 19.000 0.020 0.000 0.818 34 A HN 0.354 nan 8.150 nan 0.000 0.445 35 S N -0.786 114.955 115.700 0.067 0.000 2.355 35 S HA -0.008 4.462 4.470 0.000 0.000 0.222 35 S C 2.234 176.953 174.600 0.198 0.000 1.031 35 S CA 1.450 59.737 58.200 0.145 0.000 0.993 35 S CB -0.460 62.866 63.200 0.209 0.000 0.859 35 S HN 0.795 nan 8.310 nan 0.000 0.453 36 A N 1.628 124.524 122.820 0.127 0.000 1.902 36 A HA -0.088 4.232 4.320 0.000 0.000 0.217 36 A C 2.174 179.787 177.584 0.049 0.000 1.181 36 A CA 1.414 53.515 52.037 0.107 0.000 0.623 36 A CB -0.557 18.434 19.000 -0.014 0.000 0.818 36 A HN 0.575 nan 8.150 nan 0.000 0.443 37 R N -1.289 119.225 120.500 0.023 0.000 2.096 37 R HA -0.121 4.219 4.340 0.000 0.000 0.235 37 R C 2.438 178.727 176.300 -0.019 0.000 1.127 37 R CA 1.573 57.675 56.100 0.003 0.000 0.968 37 R CB -0.237 30.073 30.300 0.017 0.000 0.861 37 R HN 0.422 nan 8.270 nan 0.000 0.440 38 R N 0.996 121.482 120.500 -0.022 0.000 2.073 38 R HA 0.028 4.368 4.340 0.000 0.000 0.229 38 R C 1.975 178.184 176.300 -0.151 0.000 1.120 38 R CA 1.615 57.665 56.100 -0.083 0.000 0.967 38 R CB -0.560 29.682 30.300 -0.096 0.000 0.862 38 R HN 0.206 nan 8.270 nan 0.000 0.436 39 A N 0.386 123.122 122.820 -0.141 0.000 1.902 39 A HA -0.033 4.287 4.320 0.000 0.000 0.217 39 A C 2.361 179.752 177.584 -0.323 0.000 1.181 39 A CA 1.753 53.593 52.037 -0.329 0.000 0.623 39 A CB -1.086 17.646 19.000 -0.447 0.000 0.818 39 A HN 0.456 nan 8.150 nan 0.000 0.443 40 A N 0.081 122.802 122.820 -0.165 0.000 1.940 40 A HA -0.204 4.116 4.320 0.000 0.000 0.219 40 A C 1.851 179.389 177.584 -0.076 0.000 1.176 40 A CA 1.698 53.674 52.037 -0.102 0.000 0.631 40 A CB -0.591 18.391 19.000 -0.029 0.000 0.814 40 A HN 0.671 nan 8.150 nan 0.000 0.446 41 E N -0.190 119.967 120.200 -0.072 0.000 2.204 41 E HA -0.108 4.242 4.350 0.000 0.000 0.195 41 E C 1.435 178.004 176.600 -0.052 0.000 0.990 41 E CA 0.937 57.310 56.400 -0.044 0.000 0.821 41 E CB -0.267 29.413 29.700 -0.033 0.000 0.750 41 E HN 0.649 nan 8.360 nan 0.000 0.477 42 L N -0.586 120.576 121.223 -0.101 0.000 2.591 42 L HA 0.152 4.492 4.340 0.000 0.000 0.228 42 L C 1.448 178.283 176.870 -0.057 0.000 1.133 42 L CA 0.433 55.229 54.840 -0.073 0.000 0.880 42 L CB 0.161 42.167 42.059 -0.088 0.000 1.033 42 L HN 0.331 nan 8.230 nan 0.000 0.450 43 G N -0.446 108.304 108.800 -0.084 0.000 2.201 43 G HA2 -0.209 3.751 3.960 0.000 0.000 0.212 43 G HA3 -0.209 3.751 3.960 0.000 0.000 0.212 43 G C 0.406 175.242 174.900 -0.106 0.000 0.994 43 G CA -0.183 44.885 45.100 -0.053 0.000 0.644 43 G HN 0.425 nan 8.290 nan 0.000 0.508 44 A N 0.058 122.711 122.820 -0.279 0.000 2.462 44 A HA 0.676 4.996 4.320 0.000 0.000 0.243 44 A C 0.665 178.161 177.584 -0.147 0.000 1.076 44 A CA 0.697 52.505 52.037 -0.382 0.000 0.773 44 A CB 0.324 18.679 19.000 -1.074 0.000 1.010 44 A HN 1.011 nan 8.150 nan 0.000 0.493 45 R N 1.782 122.270 120.500 -0.020 0.000 2.235 45 R HA 0.552 4.892 4.340 0.000 0.000 0.338 45 R C -0.281 176.150 176.300 0.219 0.000 1.087 45 R CA 0.705 56.869 56.100 0.108 0.000 0.948 45 R CB -0.125 30.246 30.300 0.119 0.000 1.099 45 R HN 0.864 nan 8.270 nan 0.000 0.483 46 A N 2.681 125.589 122.820 0.145 0.000 2.354 46 A HA 0.906 5.226 4.320 0.000 0.000 0.321 46 A C -1.098 176.413 177.584 -0.121 0.000 1.125 46 A CA -0.373 51.705 52.037 0.067 0.000 0.799 46 A CB 1.690 20.722 19.000 0.053 0.000 1.293 46 A HN 0.830 nan 8.150 nan 0.000 0.452 47 A N 0.319 122.905 122.820 -0.391 0.000 2.449 47 A HA 0.682 5.002 4.320 0.000 0.000 0.302 47 A C -1.287 176.058 177.584 -0.398 0.000 1.048 47 A CA -0.434 51.279 52.037 -0.540 0.000 0.708 47 A CB 1.522 19.833 19.000 -1.148 0.000 1.274 47 A HN 1.199 nan 8.150 nan 0.000 0.410 48 V N 2.398 122.130 119.914 -0.304 0.000 2.409 48 V HA 0.386 4.506 4.120 0.000 0.000 0.291 48 V C -0.275 175.664 176.094 -0.259 0.000 1.020 48 V CA -0.523 61.626 62.300 -0.252 0.000 0.848 48 V CB 1.566 33.288 31.823 -0.169 0.000 0.990 48 V HN 0.672 nan 8.190 nan 0.000 0.430 49 V N 4.403 124.154 119.914 -0.272 0.000 2.432 49 V HA 0.517 4.637 4.120 0.000 0.000 0.275 49 V C -0.097 175.890 176.094 -0.179 0.000 1.043 49 V CA -0.299 61.847 62.300 -0.258 0.000 0.925 49 V CB 1.348 32.993 31.823 -0.298 0.000 0.985 49 V HN 0.969 nan 8.190 nan 0.000 0.466 50 E N 3.049 123.163 120.200 -0.143 0.000 2.263 50 E HA 0.406 4.756 4.350 0.000 0.000 0.268 50 E C 0.481 177.030 176.600 -0.085 0.000 0.884 50 E CA -0.067 56.279 56.400 -0.089 0.000 0.766 50 E CB 2.091 31.751 29.700 -0.066 0.000 1.196 50 E HN 0.570 nan 8.360 nan 0.000 0.416 51 S N 3.713 119.380 115.700 -0.055 0.000 2.503 51 S HA 0.130 4.600 4.470 0.000 0.000 0.217 51 S C 0.810 175.139 174.600 -0.451 0.000 0.999 51 S CA 0.313 58.410 58.200 -0.172 0.000 0.914 51 S CB -0.179 62.971 63.200 -0.082 0.000 0.782 51 S HN 0.601 nan 8.310 nan 0.000 0.520 52 H N 1.239 120.304 119.070 -0.009 0.000 5.104 52 H HA 0.505 5.061 4.556 0.000 0.000 0.167 52 H C -0.370 174.948 175.328 -0.016 0.000 1.341 52 H CA -0.568 55.477 56.048 -0.005 0.000 0.513 52 H CB 0.122 29.885 29.762 0.002 0.000 1.576 52 H HN 0.139 nan 8.280 nan 0.000 0.320 53 K N 1.494 121.979 120.400 0.142 0.000 2.207 53 K HA 0.409 4.729 4.320 0.000 0.000 0.255 53 K C -0.434 176.173 176.600 0.012 0.000 0.941 53 K CA -0.502 55.815 56.287 0.050 0.000 0.825 53 K CB 2.290 34.813 32.500 0.038 0.000 1.119 53 K HN 0.152 nan 8.250 nan 0.000 0.430 54 L N 0.649 121.869 121.223 -0.005 0.000 2.467 54 L HA 0.117 4.457 4.340 0.000 0.000 0.270 54 L C 1.433 178.255 176.870 -0.080 0.000 1.205 54 L CA 0.907 55.727 54.840 -0.035 0.000 0.828 54 L CB 0.234 42.292 42.059 -0.001 0.000 1.101 54 L HN 1.101 nan 8.230 nan 0.000 0.479 55 G N 0.497 109.184 108.800 -0.189 0.000 2.254 55 G HA2 -0.101 3.859 3.960 0.000 0.000 0.225 55 G HA3 -0.101 3.859 3.960 0.000 0.000 0.225 55 G C 0.725 175.500 174.900 -0.209 0.000 1.003 55 G CA -0.066 44.841 45.100 -0.321 0.000 0.622 55 G HN 1.413 nan 8.290 nan 0.000 0.507 56 G N -0.492 108.235 108.800 -0.121 0.000 2.614 56 G HA2 -0.203 3.757 3.960 0.000 0.000 0.303 56 G HA3 -0.203 3.757 3.960 0.000 0.000 0.303 56 G C 1.169 176.023 174.900 -0.077 0.000 1.270 56 G CA 1.990 47.043 45.100 -0.079 0.000 0.988 56 G HN 1.388 nan 8.290 nan 0.000 0.551 57 T N -0.287 114.233 114.554 -0.056 0.000 2.777 57 T HA -0.162 4.188 4.350 0.000 0.000 0.266 57 T C 2.410 177.074 174.700 -0.061 0.000 1.040 57 T CA 2.258 64.335 62.100 -0.039 0.000 1.141 57 T CB -0.711 68.158 68.868 0.002 0.000 0.868 57 T HN 0.889 nan 8.240 nan 0.000 0.444 58 C N 1.157 120.413 119.300 -0.073 0.000 2.393 58 C HA -0.103 4.357 4.460 0.000 0.000 0.276 58 C C 2.745 177.663 174.990 -0.119 0.000 1.215 58 C CA 0.953 59.922 59.018 -0.081 0.000 1.743 58 C CB -1.188 26.491 27.740 -0.101 0.000 2.044 58 C HN 0.383 nan 8.230 nan 0.000 0.464 59 V N 1.574 121.398 119.914 -0.151 0.000 2.302 59 V HA -0.110 4.010 4.120 0.000 0.000 0.243 59 V C 2.334 178.319 176.094 -0.182 0.000 1.036 59 V CA 2.253 64.455 62.300 -0.164 0.000 1.020 59 V CB -0.715 31.016 31.823 -0.155 0.000 0.657 59 V HN 0.561 nan 8.190 nan 0.000 0.453 60 N N 0.822 119.431 118.700 -0.152 0.000 2.173 60 N HA -0.059 4.681 4.740 0.000 0.000 0.184 60 N C 1.195 176.572 175.510 -0.222 0.000 1.025 60 N CA 2.004 54.966 53.050 -0.146 0.000 0.852 60 N CB 0.278 38.719 38.487 -0.076 0.000 0.998 60 N HN 0.547 nan 8.380 nan 0.000 0.427 61 V N -3.671 116.122 119.914 -0.201 0.000 2.967 61 V HA 0.669 4.789 4.120 0.000 0.000 0.364 61 V C 0.408 176.429 176.094 -0.122 0.000 1.373 61 V CA -0.182 61.987 62.300 -0.218 0.000 1.193 61 V CB 0.561 32.434 31.823 0.083 0.000 1.236 61 V HN 0.184 nan 8.190 nan 0.000 0.582 62 G N -0.473 108.217 108.800 -0.183 0.000 3.418 62 G HA2 0.219 4.179 3.960 0.000 0.000 0.179 62 G HA3 0.219 4.179 3.960 0.000 0.000 0.179 62 G C 0.860 175.748 174.900 -0.021 0.000 1.212 62 G CA 0.664 45.766 45.100 0.002 0.000 0.935 62 G HN 0.204 nan 8.290 nan 0.000 0.716 63 C N 0.155 119.460 119.300 0.008 0.000 2.303 63 C HA -0.128 4.332 4.460 0.000 0.000 0.273 63 C C 2.923 177.885 174.990 -0.046 0.000 1.154 63 C CA 1.308 60.328 59.018 0.004 0.000 1.784 63 C CB -1.471 26.270 27.740 0.002 0.000 1.993 63 C HN 0.308 nan 8.230 nan 0.000 0.430 64 V N 2.898 122.764 119.914 -0.081 0.000 2.220 64 V HA -0.169 3.951 4.120 0.000 0.000 0.246 64 V C 0.126 176.185 176.094 -0.058 0.000 1.049 64 V CA 2.840 65.097 62.300 -0.072 0.000 1.003 64 V CB -2.192 29.546 31.823 -0.141 0.000 0.634 64 V HN 0.425 nan 8.190 nan 0.000 0.444 65 P HA -0.206 nan 4.420 nan 0.000 0.218 65 P C 1.602 178.953 177.300 0.085 0.000 1.148 65 P CA 1.563 64.548 63.100 -0.192 0.000 0.822 65 P CB -0.147 31.118 31.700 -0.724 0.000 0.784 66 K N 0.998 121.477 120.400 0.132 0.000 2.026 66 K HA -0.187 4.133 4.320 0.000 0.000 0.208 66 K C 2.109 178.815 176.600 0.177 0.000 1.048 66 K CA 1.737 58.224 56.287 0.333 0.000 0.929 66 K CB -0.492 32.172 32.500 0.274 0.000 0.713 66 K HN -0.130 nan 8.250 nan 0.000 0.439 67 K N 0.840 121.249 120.400 0.015 0.000 2.057 67 K HA -0.059 4.261 4.320 0.000 0.000 0.207 67 K C 2.036 178.696 176.600 0.100 0.000 1.049 67 K CA 1.338 57.573 56.287 -0.087 0.000 0.931 67 K CB -0.432 31.948 32.500 -0.200 0.000 0.714 67 K HN 0.014 nan 8.250 nan 0.000 0.440 68 V N 0.830 120.813 119.914 0.115 0.000 2.287 68 V HA -0.291 3.829 4.120 0.000 0.000 0.248 68 V C 2.350 178.513 176.094 0.115 0.000 1.053 68 V CA 1.831 64.200 62.300 0.114 0.000 1.027 68 V CB -0.499 31.395 31.823 0.118 0.000 0.646 68 V HN 0.341 nan 8.190 nan 0.000 0.447 69 M N -1.617 118.085 119.600 0.169 0.000 2.159 69 M HA -0.176 4.304 4.480 0.000 0.000 0.263 69 M C 1.949 178.355 176.300 0.177 0.000 1.063 69 M CA 1.492 56.884 55.300 0.154 0.000 1.110 69 M CB -1.342 31.437 32.600 0.298 0.000 1.374 69 M HN 0.629 nan 8.290 nan 0.000 0.411 70 W N 2.343 123.670 121.300 0.045 0.000 2.355 70 W HA -0.169 4.491 4.660 0.000 0.000 0.309 70 W C 1.987 178.533 176.519 0.045 0.000 1.206 70 W CA 1.512 58.887 57.345 0.050 0.000 1.284 70 W CB -0.367 29.073 29.460 -0.032 0.000 1.145 70 W HN 0.253 nan 8.180 nan 0.000 0.502 71 N N -0.336 118.444 118.700 0.134 0.000 2.149 71 N HA -0.163 4.577 4.740 0.000 0.000 0.188 71 N C 1.552 177.019 175.510 -0.072 0.000 1.019 71 N CA 2.316 55.358 53.050 -0.012 0.000 0.857 71 N CB -0.950 37.594 38.487 0.096 0.000 0.997 71 N HN 0.193 nan 8.380 nan 0.000 0.426 72 T N 0.896 115.414 114.554 -0.059 0.000 2.737 72 T HA -0.013 4.337 4.350 0.000 0.000 0.265 72 T C 2.016 176.586 174.700 -0.216 0.000 1.038 72 T CA 1.309 63.340 62.100 -0.116 0.000 1.144 72 T CB -0.317 68.467 68.868 -0.140 0.000 0.866 72 T HN 0.324 nan 8.240 nan 0.000 0.434 73 A N 0.991 123.667 122.820 -0.241 0.000 1.933 73 A HA -0.024 4.296 4.320 0.000 0.000 0.218 73 A C 2.568 179.907 177.584 -0.409 0.000 1.175 73 A CA 1.101 52.948 52.037 -0.316 0.000 0.628 73 A CB -1.022 17.855 19.000 -0.204 0.000 0.814 73 A HN 0.342 nan 8.150 nan 0.000 0.444 74 V N -0.477 119.155 119.914 -0.469 0.000 2.407 74 V HA -0.275 3.845 4.120 0.000 0.000 0.248 74 V C 2.450 178.229 176.094 -0.525 0.000 1.055 74 V CA 2.111 64.026 62.300 -0.641 0.000 1.049 74 V CB -0.964 30.384 31.823 -0.793 0.000 0.662 74 V HN 0.671 nan 8.190 nan 0.000 0.455 75 H N -0.682 118.193 119.070 -0.325 0.000 2.353 75 H HA -0.145 4.411 4.556 0.000 0.000 0.300 75 H C 2.685 177.865 175.328 -0.245 0.000 1.090 75 H CA 1.927 57.860 56.048 -0.191 0.000 1.327 75 H CB -0.065 29.607 29.762 -0.149 0.000 1.383 75 H HN 0.422 nan 8.280 nan 0.000 0.508 76 S N 0.150 115.722 115.700 -0.213 0.000 2.353 76 S HA -0.172 4.298 4.470 0.000 0.000 0.222 76 S C 2.003 176.279 174.600 -0.539 0.000 1.035 76 S CA 1.701 59.700 58.200 -0.336 0.000 1.025 76 S CB -0.011 62.979 63.200 -0.350 0.000 0.902 76 S HN 0.515 nan 8.310 nan 0.000 0.440 77 E N -0.285 119.609 120.200 -0.509 0.000 2.031 77 E HA -0.115 4.235 4.350 0.000 0.000 0.193 77 E C 1.885 178.348 176.600 -0.228 0.000 0.994 77 E CA 1.434 57.575 56.400 -0.432 0.000 0.800 77 E CB -0.276 29.127 29.700 -0.495 0.000 0.752 77 E HN 0.488 nan 8.360 nan 0.000 0.447 78 F N 0.869 120.720 119.950 -0.165 0.000 2.126 78 F HA -0.187 4.340 4.527 0.000 0.000 0.299 78 F C 2.408 178.198 175.800 -0.017 0.000 1.096 78 F CA 1.087 59.038 58.000 -0.080 0.000 1.255 78 F CB -0.789 38.083 39.000 -0.213 0.000 0.997 78 F HN 0.077 nan 8.300 nan 0.000 0.479 79 M N -0.550 119.066 119.600 0.027 0.000 2.346 79 M HA -0.234 4.246 4.480 0.000 0.000 0.263 79 M C 1.844 178.194 176.300 0.085 0.000 1.064 79 M CA 1.714 57.007 55.300 -0.013 0.000 1.083 79 M CB -0.446 32.090 32.600 -0.107 0.000 1.399 79 M HN 0.129 nan 8.290 nan 0.000 0.435 80 H N 0.325 119.491 119.070 0.159 0.000 2.495 80 H HA 0.014 4.570 4.556 0.000 0.000 0.287 80 H C 0.879 176.344 175.328 0.228 0.000 1.033 80 H CA 1.136 57.279 56.048 0.158 0.000 1.307 80 H CB -0.173 29.658 29.762 0.115 0.000 1.401 80 H HN 0.536 nan 8.280 nan 0.000 0.555 81 D N -0.962 119.690 120.400 0.420 0.000 2.349 81 D HA -0.035 4.605 4.640 0.000 0.000 0.214 81 D C 1.717 178.278 176.300 0.434 0.000 1.063 81 D CA 0.099 54.361 54.000 0.437 0.000 0.847 81 D CB -0.090 41.060 40.800 0.584 0.000 0.933 81 D HN 0.351 nan 8.370 nan 0.000 0.513 82 H N 1.842 121.081 119.070 0.280 0.000 2.319 82 H HA -0.111 4.445 4.556 0.000 0.000 0.297 82 H C 2.037 177.576 175.328 0.351 0.000 1.097 82 H CA 2.263 58.476 56.048 0.275 0.000 1.285 82 H CB 0.056 29.915 29.762 0.161 0.000 1.368 82 H HN 0.129 nan 8.280 nan 0.000 0.495 83 A N 0.163 123.157 122.820 0.291 0.000 1.930 83 A HA -0.153 4.167 4.320 0.000 0.000 0.217 83 A C 2.059 179.710 177.584 0.111 0.000 1.175 83 A CA 1.720 53.866 52.037 0.183 0.000 0.627 83 A CB -0.318 18.775 19.000 0.155 0.000 0.815 83 A HN 0.446 nan 8.150 nan 0.000 0.443 84 D N -1.455 119.013 120.400 0.112 0.000 2.221 84 D HA -0.135 4.505 4.640 0.000 0.000 0.204 84 D C 0.826 177.068 176.300 -0.096 0.000 0.982 84 D CA 1.185 55.177 54.000 -0.013 0.000 0.857 84 D CB -0.245 40.529 40.800 -0.044 0.000 0.934 84 D HN 0.619 nan 8.370 nan 0.000 0.475 85 Y N -0.439 119.878 120.300 0.028 0.000 2.470 85 Y HA 0.279 4.829 4.550 0.000 0.000 0.284 85 Y C 1.665 177.505 175.900 -0.099 0.000 1.188 85 Y CA 0.359 58.471 58.100 0.019 0.000 1.269 85 Y CB 0.615 39.145 38.460 0.117 0.000 1.094 85 Y HN 0.034 nan 8.280 nan 0.000 0.518 86 G N -1.044 107.722 108.800 -0.057 0.000 2.141 86 G HA2 -0.268 3.692 3.960 0.000 0.000 0.231 86 G HA3 -0.268 3.692 3.960 0.000 0.000 0.231 86 G C -0.115 174.493 174.900 -0.487 0.000 0.984 86 G CA -0.373 44.564 45.100 -0.272 0.000 0.660 86 G HN 0.189 nan 8.290 nan 0.000 0.525 87 F N 0.694 120.577 119.950 -0.111 0.000 2.518 87 F HA 0.702 5.229 4.527 0.000 0.000 0.338 87 F C -1.855 173.962 175.800 0.028 0.000 1.065 87 F CA -2.454 55.474 58.000 -0.119 0.000 1.012 87 F CB 1.336 40.002 39.000 -0.557 0.000 1.297 87 F HN -0.167 nan 8.300 nan 0.000 0.489 88 P HA 0.168 nan 4.420 nan 0.000 0.282 88 P C -0.796 176.693 177.300 0.316 0.000 1.249 88 P CA -0.540 62.706 63.100 0.245 0.000 0.806 88 P CB 1.212 33.025 31.700 0.189 0.000 0.984 89 S N 1.024 116.853 115.700 0.215 0.000 2.552 89 S HA 0.054 4.524 4.470 0.000 0.000 0.289 89 S C 0.056 174.755 174.600 0.165 0.000 1.304 89 S CA -0.136 58.185 58.200 0.201 0.000 1.063 89 S CB -0.419 62.867 63.200 0.144 0.000 0.848 89 S HN 0.466 nan 8.310 nan 0.000 0.499 90 C N 4.526 123.912 119.300 0.142 0.000 2.285 90 C HA 0.316 4.776 4.460 0.000 0.000 0.335 90 C C 1.757 176.790 174.990 0.071 0.000 1.267 90 C CA -0.628 58.427 59.018 0.061 0.000 1.762 90 C CB -0.194 27.517 27.740 -0.047 0.000 2.365 90 C HN 1.083 nan 8.230 nan 0.000 0.527 91 E N 3.459 123.694 120.200 0.059 0.000 2.230 91 E HA 0.211 4.561 4.350 0.000 0.000 0.192 91 E C 0.962 177.598 176.600 0.060 0.000 0.987 91 E CA 1.070 57.507 56.400 0.061 0.000 0.841 91 E CB 0.270 30.000 29.700 0.050 0.000 0.783 91 E HN 0.829 nan 8.360 nan 0.000 0.481 92 G N 1.343 110.176 108.800 0.056 0.000 3.046 92 G HA2 0.076 4.036 3.960 0.000 0.000 0.137 92 G HA3 0.076 4.036 3.960 0.000 0.000 0.137 92 G C -1.254 173.697 174.900 0.086 0.000 1.207 92 G CA -0.397 44.743 45.100 0.066 0.000 1.218 92 G HN 0.139 nan 8.290 nan 0.000 0.625 93 K N 0.835 121.281 120.400 0.077 0.000 2.419 93 K HA 0.161 4.481 4.320 0.000 0.000 0.282 93 K C -0.944 175.725 176.600 0.115 0.000 1.056 93 K CA -0.353 55.990 56.287 0.095 0.000 1.035 93 K CB 0.446 32.978 32.500 0.055 0.000 0.921 93 K HN 0.207 nan 8.250 nan 0.000 0.472 94 F N 4.298 124.264 119.950 0.028 0.000 2.484 94 F HA 0.154 4.681 4.527 0.000 0.000 0.360 94 F C -0.160 175.673 175.800 0.056 0.000 1.101 94 F CA -0.523 57.494 58.000 0.029 0.000 1.251 94 F CB 0.564 39.593 39.000 0.050 0.000 1.132 94 F HN 0.671 nan 8.300 nan 0.000 0.570 95 N N 7.401 125.565 118.700 -0.894 0.000 2.546 95 N HA 0.013 4.753 4.740 0.000 0.000 0.238 95 N C 0.631 175.513 175.510 -1.047 0.000 0.984 95 N CA -0.529 52.097 53.050 -0.706 0.000 0.935 95 N CB 0.090 38.376 38.487 -0.335 0.000 1.122 95 N HN 0.912 nan 8.380 nan 0.000 0.510 96 W N 5.572 126.293 121.300 -0.966 0.000 2.358 96 W HA -0.168 4.492 4.660 0.000 0.000 0.303 96 W C 1.547 177.904 176.519 -0.270 0.000 1.208 96 W CA 1.477 58.502 57.345 -0.533 0.000 1.274 96 W CB 0.151 29.541 29.460 -0.115 0.000 1.138 96 W HN 0.695 nan 8.180 nan 0.000 0.515 97 R N 0.262 120.792 120.500 0.049 0.000 2.152 97 R HA -0.138 4.202 4.340 0.000 0.000 0.232 97 R C 1.825 178.092 176.300 -0.055 0.000 1.117 97 R CA 1.764 57.888 56.100 0.039 0.000 0.981 97 R CB -1.147 29.200 30.300 0.078 0.000 0.870 97 R HN 0.079 nan 8.270 nan 0.000 0.451 98 V N 1.429 121.266 119.914 -0.129 0.000 2.261 98 V HA -0.215 3.905 4.120 0.000 0.000 0.246 98 V C 2.278 178.308 176.094 -0.108 0.000 1.047 98 V CA 1.793 64.022 62.300 -0.119 0.000 1.015 98 V CB -0.402 31.330 31.823 -0.152 0.000 0.642 98 V HN 0.308 nan 8.190 nan 0.000 0.446 99 I N -0.299 120.184 120.570 -0.145 0.000 2.617 99 I HA -0.098 4.072 4.170 0.000 0.000 0.256 99 I C 2.357 178.399 176.117 -0.125 0.000 1.167 99 I CA 1.460 62.696 61.300 -0.108 0.000 1.469 99 I CB -0.451 37.517 38.000 -0.053 0.000 1.098 99 I HN 0.196 nan 8.210 nan 0.000 0.436 100 K N 0.573 120.867 120.400 -0.177 0.000 2.057 100 K HA -0.225 4.095 4.320 0.000 0.000 0.207 100 K C 1.889 178.476 176.600 -0.021 0.000 1.049 100 K CA 1.847 58.066 56.287 -0.115 0.000 0.931 100 K CB -0.132 32.348 32.500 -0.032 0.000 0.714 100 K HN 0.406 nan 8.250 nan 0.000 0.440 101 E N 0.357 120.547 120.200 -0.017 0.000 2.106 101 E HA -0.144 4.206 4.350 0.000 0.000 0.192 101 E C 1.970 178.574 176.600 0.005 0.000 0.984 101 E CA 1.240 57.641 56.400 0.002 0.000 0.806 101 E CB 0.151 29.849 29.700 -0.004 0.000 0.750 101 E HN 0.284 nan 8.360 nan 0.000 0.458 102 K N 0.403 120.797 120.400 -0.010 0.000 2.103 102 K HA -0.085 4.236 4.320 0.000 0.000 0.204 102 K C 2.231 178.855 176.600 0.041 0.000 1.052 102 K CA 0.579 56.867 56.287 0.001 0.000 0.945 102 K CB -0.033 32.450 32.500 -0.028 0.000 0.722 102 K HN -0.023 nan 8.250 nan 0.000 0.443 103 R N 1.294 121.816 120.500 0.036 0.000 2.073 103 R HA -0.154 4.186 4.340 0.000 0.000 0.234 103 R C 1.440 177.791 176.300 0.086 0.000 1.134 103 R CA 1.859 58.008 56.100 0.082 0.000 0.952 103 R CB -0.071 30.257 30.300 0.045 0.000 0.850 103 R HN 0.126 nan 8.270 nan 0.000 0.433 104 D N 0.270 120.701 120.400 0.052 0.000 2.149 104 D HA -0.152 4.488 4.640 0.000 0.000 0.198 104 D C 1.695 178.021 176.300 0.043 0.000 0.990 104 D CA 1.492 55.515 54.000 0.039 0.000 0.839 104 D CB -0.240 40.583 40.800 0.039 0.000 0.948 104 D HN 0.379 nan 8.370 nan 0.000 0.460 105 A N 0.282 123.139 122.820 0.060 0.000 1.902 105 A HA -0.227 4.094 4.320 0.000 0.000 0.217 105 A C 2.183 179.837 177.584 0.117 0.000 1.181 105 A CA 1.197 53.274 52.037 0.067 0.000 0.623 105 A CB -0.962 18.070 19.000 0.054 0.000 0.818 105 A HN 0.302 nan 8.150 nan 0.000 0.443 106 Y N 0.736 121.028 120.300 -0.014 0.000 2.181 106 Y HA -0.137 4.414 4.550 0.000 0.000 0.288 106 Y C 2.322 178.217 175.900 -0.008 0.000 1.146 106 Y CA 1.417 59.509 58.100 -0.013 0.000 1.164 106 Y CB -0.621 37.829 38.460 -0.017 0.000 0.982 106 Y HN 0.059 nan 8.280 nan 0.000 0.515 107 V N -0.638 119.213 119.914 -0.105 0.000 2.343 107 V HA -0.301 3.819 4.120 0.000 0.000 0.247 107 V C 2.512 178.547 176.094 -0.098 0.000 1.051 107 V CA 2.151 64.340 62.300 -0.186 0.000 1.036 107 V CB -0.975 30.775 31.823 -0.122 0.000 0.654 107 V HN 0.387 nan 8.190 nan 0.000 0.451 108 S N -0.620 115.062 115.700 -0.030 0.000 2.368 108 S HA -0.196 4.274 4.470 0.000 0.000 0.225 108 S C 2.079 176.676 174.600 -0.006 0.000 1.030 108 S CA 1.447 59.642 58.200 -0.007 0.000 0.999 108 S CB -0.299 62.908 63.200 0.012 0.000 0.844 108 S HN 0.541 nan 8.310 nan 0.000 0.459 109 R N 0.648 121.152 120.500 0.007 0.000 2.081 109 R HA 0.006 4.346 4.340 0.000 0.000 0.235 109 R C 2.203 178.486 176.300 -0.028 0.000 1.131 109 R CA 1.083 57.194 56.100 0.017 0.000 0.960 109 R CB -0.527 29.830 30.300 0.094 0.000 0.856 109 R HN 0.381 nan 8.270 nan 0.000 0.436 110 L N 0.437 121.609 121.223 -0.085 0.000 2.093 110 L HA -0.143 4.197 4.340 0.000 0.000 0.208 110 L C 1.721 178.633 176.870 0.070 0.000 1.085 110 L CA 1.421 56.229 54.840 -0.054 0.000 0.755 110 L CB -0.597 41.401 42.059 -0.101 0.000 0.904 110 L HN 0.269 nan 8.230 nan 0.000 0.435 111 N N 0.336 119.059 118.700 0.038 0.000 2.149 111 N HA -0.180 4.560 4.740 0.000 0.000 0.188 111 N C 1.922 177.463 175.510 0.052 0.000 1.019 111 N CA 1.161 54.251 53.050 0.066 0.000 0.857 111 N CB -0.201 38.298 38.487 0.022 0.000 0.997 111 N HN 0.325 nan 8.380 nan 0.000 0.426 112 A N 0.927 123.752 122.820 0.009 0.000 1.929 112 A HA -0.021 4.299 4.320 0.000 0.000 0.216 112 A C 2.120 179.680 177.584 -0.040 0.000 1.176 112 A CA 0.777 52.808 52.037 -0.010 0.000 0.628 112 A CB -0.460 18.532 19.000 -0.013 0.000 0.816 112 A HN 0.187 nan 8.150 nan 0.000 0.444 113 I N -1.850 118.667 120.570 -0.090 0.000 2.226 113 I HA -0.263 3.907 4.170 0.000 0.000 0.245 113 I C 2.271 178.233 176.117 -0.259 0.000 1.100 113 I CA 1.388 62.566 61.300 -0.203 0.000 1.374 113 I CB -0.332 37.481 38.000 -0.312 0.000 1.057 113 I HN 0.384 nan 8.210 nan 0.000 0.413 114 Y N 0.469 120.742 120.300 -0.046 0.000 2.293 114 Y HA -0.243 4.307 4.550 0.000 0.000 0.291 114 Y C 2.693 178.564 175.900 -0.048 0.000 1.137 114 Y CA 1.320 59.391 58.100 -0.048 0.000 1.202 114 Y CB -0.514 37.914 38.460 -0.052 0.000 0.990 114 Y HN 0.226 nan 8.280 nan 0.000 0.537 115 Q N 0.412 120.260 119.800 0.079 0.000 2.079 115 Q HA -0.218 4.122 4.340 0.000 0.000 0.200 115 Q C 2.225 178.220 176.000 -0.008 0.000 0.974 115 Q CA 1.621 57.441 55.803 0.028 0.000 0.840 115 Q CB -0.283 28.462 28.738 0.012 0.000 0.898 115 Q HN 0.520 nan 8.270 nan 0.000 0.430 116 N N -0.139 118.542 118.700 -0.033 0.000 2.166 116 N HA -0.168 4.572 4.740 0.000 0.000 0.186 116 N C 1.297 176.767 175.510 -0.066 0.000 1.019 116 N CA 1.276 54.294 53.050 -0.054 0.000 0.856 116 N CB -0.122 38.326 38.487 -0.066 0.000 0.993 116 N HN 0.383 nan 8.380 nan 0.000 0.426 117 N N 0.398 119.058 118.700 -0.066 0.000 2.166 117 N HA -0.100 4.640 4.740 0.000 0.000 0.186 117 N C 1.874 177.358 175.510 -0.044 0.000 1.019 117 N CA 0.635 53.650 53.050 -0.057 0.000 0.856 117 N CB 0.077 38.543 38.487 -0.035 0.000 0.993 117 N HN 0.240 nan 8.380 nan 0.000 0.426 118 L N 0.441 121.650 121.223 -0.022 0.000 2.005 118 L HA -0.150 4.190 4.340 0.000 0.000 0.207 118 L C 2.951 179.776 176.870 -0.076 0.000 1.072 118 L CA 1.464 56.284 54.840 -0.035 0.000 0.744 118 L CB -1.152 40.895 42.059 -0.020 0.000 0.895 118 L HN 0.395 nan 8.230 nan 0.000 0.433 119 T N -1.863 112.646 114.554 -0.075 0.000 2.684 119 T HA -0.271 4.079 4.350 0.000 0.000 0.267 119 T C 1.824 176.393 174.700 -0.218 0.000 1.036 119 T CA 1.409 63.451 62.100 -0.097 0.000 1.148 119 T CB -0.313 68.521 68.868 -0.055 0.000 0.863 119 T HN 0.217 nan 8.240 nan 0.000 0.436 120 K N 0.763 121.035 120.400 -0.213 0.000 2.280 120 K HA 0.086 4.406 4.320 0.000 0.000 0.202 120 K C 2.369 178.659 176.600 -0.517 0.000 1.047 120 K CA 1.158 57.263 56.287 -0.303 0.000 0.942 120 K CB -0.086 32.316 32.500 -0.164 0.000 0.739 120 K HN 0.313 nan 8.250 nan 0.000 0.457 121 S N -0.617 114.861 115.700 -0.369 0.000 2.548 121 S HA 0.028 4.498 4.470 0.000 0.000 0.215 121 S C -0.505 173.960 174.600 -0.224 0.000 0.976 121 S CA -0.048 57.998 58.200 -0.256 0.000 0.908 121 S CB -0.065 63.078 63.200 -0.094 0.000 0.781 121 S HN 0.406 nan 8.310 nan 0.000 0.519 122 H N -0.621 118.449 119.070 0.000 0.000 2.941 122 H HA -0.113 4.443 4.556 0.000 0.000 0.279 122 H C -0.487 174.849 175.328 0.012 0.000 1.247 122 H CA 0.388 56.441 56.048 0.009 0.000 1.129 122 H CB -2.155 27.614 29.762 0.011 0.000 1.313 122 H HN 0.339 nan 8.280 nan 0.000 0.384 123 I N 1.247 121.833 120.570 0.027 0.000 2.365 123 I HA 0.097 4.267 4.170 0.000 0.000 0.291 123 I C 0.946 177.060 176.117 -0.004 0.000 1.004 123 I CA -0.084 61.222 61.300 0.009 0.000 1.311 123 I CB 1.156 39.138 38.000 -0.030 0.000 1.401 123 I HN 0.255 nan 8.210 nan 0.000 0.491 124 E N 6.214 126.407 120.200 -0.013 0.000 2.354 124 E HA 0.367 4.717 4.350 0.000 0.000 0.269 124 E C -1.010 175.523 176.600 -0.111 0.000 1.036 124 E CA -0.325 56.057 56.400 -0.029 0.000 0.876 124 E CB 0.835 30.542 29.700 0.011 0.000 1.009 124 E HN 0.402 nan 8.360 nan 0.000 0.416 125 I N 5.665 126.183 120.570 -0.086 0.000 2.355 125 I HA 0.269 4.439 4.170 0.000 0.000 0.288 125 I C -0.479 175.563 176.117 -0.125 0.000 0.999 125 I CA -0.402 60.831 61.300 -0.111 0.000 1.163 125 I CB 1.084 39.042 38.000 -0.069 0.000 1.316 125 I HN 0.434 nan 8.210 nan 0.000 0.454 126 I N 6.436 126.888 120.570 -0.196 0.000 2.307 126 I HA 0.335 4.505 4.170 0.000 0.000 0.289 126 I C 0.162 176.182 176.117 -0.161 0.000 1.021 126 I CA -0.590 60.583 61.300 -0.212 0.000 1.224 126 I CB 0.836 38.580 38.000 -0.427 0.000 1.376 126 I HN 0.466 nan 8.210 nan 0.000 0.470 127 R N 4.380 124.821 120.500 -0.098 0.000 2.265 127 R HA 0.727 5.067 4.340 0.000 0.000 0.314 127 R C 0.135 176.391 176.300 -0.074 0.000 1.053 127 R CA 0.104 56.154 56.100 -0.083 0.000 0.931 127 R CB 1.311 31.575 30.300 -0.059 0.000 1.024 127 R HN 0.903 nan 8.270 nan 0.000 0.457 128 G N 0.964 109.712 108.800 -0.086 0.000 2.369 128 G HA2 -0.066 3.894 3.960 0.000 0.000 0.295 128 G HA3 -0.066 3.894 3.960 0.000 0.000 0.295 128 G C -1.920 172.959 174.900 -0.035 0.000 1.298 128 G CA -1.032 44.038 45.100 -0.050 0.000 0.940 128 G HN 0.698 nan 8.290 nan 0.000 0.536 129 H N 0.215 119.243 119.070 -0.071 0.000 2.552 129 H HA 0.759 5.315 4.556 0.000 0.000 0.311 129 H C 0.474 175.769 175.328 -0.054 0.000 1.071 129 H CA 0.485 56.502 56.048 -0.051 0.000 1.307 129 H CB 1.109 30.857 29.762 -0.023 0.000 1.416 129 H HN 0.934 nan 8.280 nan 0.000 0.464 130 A N 3.926 126.420 122.820 -0.544 0.000 2.302 130 A HA 0.773 5.093 4.320 0.000 0.000 0.285 130 A C -0.666 176.663 177.584 -0.425 0.000 1.105 130 A CA 0.002 51.809 52.037 -0.383 0.000 0.816 130 A CB 0.377 19.148 19.000 -0.382 0.000 1.067 130 A HN 0.960 nan 8.150 nan 0.000 0.489 131 A N 0.814 123.500 122.820 -0.223 0.000 2.520 131 A HA 0.673 4.994 4.320 0.000 0.000 0.298 131 A C -0.890 176.598 177.584 -0.160 0.000 1.051 131 A CA -0.583 51.388 52.037 -0.110 0.000 0.690 131 A CB 0.509 19.565 19.000 0.094 0.000 1.281 131 A HN 0.641 nan 8.150 nan 0.000 0.402 132 F N 1.390 121.359 119.950 0.031 0.000 2.450 132 F HA 0.436 4.964 4.527 0.000 0.000 0.339 132 F C 1.724 177.547 175.800 0.038 0.000 1.146 132 F CA 1.242 59.261 58.000 0.032 0.000 1.267 132 F CB 1.214 40.228 39.000 0.022 0.000 1.178 132 F HN 0.696 nan 8.300 nan 0.000 0.585 133 T N -2.501 112.206 114.554 0.255 0.000 2.922 133 T HA 0.310 4.660 4.350 0.000 0.000 0.281 133 T C 0.888 175.668 174.700 0.132 0.000 1.005 133 T CA -0.221 61.970 62.100 0.151 0.000 0.982 133 T CB 1.188 70.116 68.868 0.101 0.000 1.158 133 T HN 0.472 nan 8.240 nan 0.000 0.566 134 S N -0.450 115.301 115.700 0.084 0.000 2.453 134 S HA 0.011 4.481 4.470 0.000 0.000 0.231 134 S C 0.434 175.062 174.600 0.047 0.000 1.005 134 S CA -0.041 58.192 58.200 0.056 0.000 0.949 134 S CB -0.619 62.606 63.200 0.042 0.000 0.774 134 S HN 0.752 nan 8.310 nan 0.000 0.510 135 D N 3.568 124.001 120.400 0.056 0.000 2.548 135 D HA 0.035 4.675 4.640 0.000 0.000 0.231 135 D C -1.403 174.922 176.300 0.042 0.000 1.142 135 D CA -0.678 53.350 54.000 0.047 0.000 0.866 135 D CB 0.441 41.273 40.800 0.053 0.000 1.190 135 D HN 0.132 nan 8.370 nan 0.000 0.469 136 P HA -0.149 nan 4.420 nan 0.000 0.210 136 P C 0.324 177.636 177.300 0.020 0.000 1.189 136 P CA 1.314 64.424 63.100 0.017 0.000 0.920 136 P CB -0.034 31.674 31.700 0.013 0.000 0.782 137 K N 1.171 121.587 120.400 0.028 0.000 2.379 137 K HA 0.201 4.521 4.320 0.000 0.000 0.284 137 K C -2.363 174.274 176.600 0.062 0.000 1.044 137 K CA -1.793 54.514 56.287 0.034 0.000 0.974 137 K CB -0.443 32.076 32.500 0.032 0.000 0.962 137 K HN -0.013 nan 8.250 nan 0.000 0.474 138 P HA -0.057 nan 4.420 nan 0.000 0.256 138 P C -1.094 176.320 177.300 0.190 0.000 1.173 138 P CA 0.334 63.513 63.100 0.133 0.000 0.768 138 P CB 0.469 32.235 31.700 0.110 0.000 0.758 139 T N 4.143 118.836 114.554 0.232 0.000 2.933 139 T HA 0.630 4.980 4.350 0.000 0.000 0.305 139 T C 0.093 174.895 174.700 0.171 0.000 1.092 139 T CA -0.561 61.645 62.100 0.177 0.000 1.008 139 T CB 0.911 69.848 68.868 0.115 0.000 1.102 139 T HN 0.313 nan 8.240 nan 0.000 0.469 140 I N -0.548 120.068 120.570 0.077 0.000 2.863 140 I HA 0.841 5.011 4.170 0.000 0.000 0.311 140 I C -0.553 175.607 176.117 0.072 0.000 1.026 140 I CA -0.884 60.390 61.300 -0.043 0.000 1.077 140 I CB 2.198 40.051 38.000 -0.245 0.000 1.262 140 I HN 0.534 nan 8.210 nan 0.000 0.461 141 E N 2.995 123.220 120.200 0.042 0.000 2.234 141 E HA 0.639 4.989 4.350 0.000 0.000 0.266 141 E C -1.833 174.827 176.600 0.100 0.000 0.877 141 E CA -0.816 55.639 56.400 0.091 0.000 0.758 141 E CB 2.536 32.270 29.700 0.057 0.000 1.170 141 E HN 0.589 nan 8.360 nan 0.000 0.415 142 V N 3.199 123.221 119.914 0.181 0.000 2.488 142 V HA 0.193 4.313 4.120 0.000 0.000 0.293 142 V C -0.124 176.053 176.094 0.138 0.000 1.027 142 V CA -0.751 61.627 62.300 0.130 0.000 0.862 142 V CB 1.363 33.242 31.823 0.093 0.000 1.008 142 V HN 0.879 nan 8.190 nan 0.000 0.428 143 S N 3.756 119.509 115.700 0.089 0.000 3.682 143 S HA -0.179 4.291 4.470 0.000 0.000 0.354 143 S C 1.498 176.132 174.600 0.057 0.000 1.034 143 S CA 1.534 59.774 58.200 0.066 0.000 1.084 143 S CB -1.236 62.000 63.200 0.061 0.000 0.903 143 S HN 2.279 nan 8.310 nan 0.000 0.470 144 G N -0.253 108.576 108.800 0.049 0.000 2.284 144 G HA2 -0.316 3.644 3.960 0.000 0.000 0.247 144 G HA3 -0.316 3.644 3.960 0.000 0.000 0.247 144 G C -0.038 174.861 174.900 -0.002 0.000 1.012 144 G CA 0.686 45.800 45.100 0.023 0.000 0.618 144 G HN 0.632 nan 8.290 nan 0.000 0.521 145 K N 0.887 121.288 120.400 0.002 0.000 2.098 145 K HA 0.550 4.870 4.320 0.000 0.000 0.261 145 K C 0.098 176.572 176.600 -0.209 0.000 0.987 145 K CA -0.434 55.776 56.287 -0.129 0.000 0.916 145 K CB 1.434 33.832 32.500 -0.171 0.000 1.039 145 K HN 0.198 nan 8.250 nan 0.000 0.455 146 K N 1.807 121.985 120.400 -0.370 0.000 2.156 146 K HA 0.453 4.773 4.320 0.000 0.000 0.250 146 K C -0.943 175.321 176.600 -0.560 0.000 0.955 146 K CA -0.716 55.409 56.287 -0.269 0.000 0.855 146 K CB 1.173 33.603 32.500 -0.117 0.000 1.101 146 K HN 0.437 nan 8.250 nan 0.000 0.434 147 Y N -0.876 119.455 120.300 0.052 0.000 2.544 147 Y HA 0.327 4.877 4.550 0.000 0.000 0.342 147 Y C 0.036 175.995 175.900 0.099 0.000 1.062 147 Y CA -0.739 57.421 58.100 0.100 0.000 1.023 147 Y CB 2.674 41.188 38.460 0.090 0.000 1.308 147 Y HN 0.547 nan 8.280 nan 0.000 0.457 148 T N 0.960 115.699 114.554 0.308 0.000 2.843 148 T HA 0.928 5.278 4.350 0.000 0.000 0.302 148 T C -1.808 173.045 174.700 0.254 0.000 1.232 148 T CA -0.263 61.970 62.100 0.221 0.000 1.009 148 T CB 1.443 70.395 68.868 0.140 0.000 1.254 148 T HN 1.119 nan 8.240 nan 0.000 0.504 149 A N 2.584 125.532 122.820 0.213 0.000 2.599 149 A HA 0.719 5.039 4.320 0.000 0.000 0.294 149 A C -2.590 175.090 177.584 0.159 0.000 1.055 149 A CA -1.029 51.149 52.037 0.234 0.000 0.683 149 A CB 0.972 20.169 19.000 0.328 0.000 1.278 149 A HN 0.548 nan 8.150 nan 0.000 0.412 150 P HA 0.050 nan 4.420 nan 0.000 0.233 150 P C -0.175 176.951 177.300 -0.291 0.000 1.167 150 P CA 1.228 64.252 63.100 -0.126 0.000 0.770 150 P CB 0.012 31.570 31.700 -0.237 0.000 0.837 151 H N -0.271 119.027 119.070 0.380 0.000 2.744 151 H HA 0.444 5.000 4.556 0.000 0.000 0.339 151 H C -0.268 175.400 175.328 0.567 0.000 1.004 151 H CA -0.624 55.768 56.048 0.573 0.000 1.257 151 H CB 1.704 31.838 29.762 0.620 0.000 1.552 151 H HN -0.028 nan 8.280 nan 0.000 0.522 152 I N 4.121 125.029 120.570 0.562 0.000 2.447 152 I HA 0.125 4.295 4.170 0.000 0.000 0.287 152 I C -0.637 175.698 176.117 0.363 0.000 1.023 152 I CA -0.849 60.655 61.300 0.341 0.000 1.083 152 I CB 2.434 40.593 38.000 0.264 0.000 1.245 152 I HN 0.194 nan 8.210 nan 0.000 0.434 153 L N 8.215 129.538 121.223 0.167 0.000 2.282 153 L HA 0.584 4.924 4.340 0.000 0.000 0.288 153 L C -0.780 176.145 176.870 0.092 0.000 1.033 153 L CA 0.022 54.973 54.840 0.185 0.000 0.807 153 L CB 1.087 43.181 42.059 0.059 0.000 1.209 153 L HN 0.406 nan 8.230 nan 0.000 0.423 154 I N 5.786 126.445 120.570 0.149 0.000 2.304 154 I HA 0.510 4.680 4.170 0.000 0.000 0.291 154 I C 0.306 176.471 176.117 0.079 0.000 1.018 154 I CA -0.091 61.274 61.300 0.108 0.000 1.260 154 I CB 1.494 39.594 38.000 0.167 0.000 1.390 154 I HN 0.824 nan 8.210 nan 0.000 0.475 155 A N 3.570 126.408 122.820 0.030 0.000 3.176 155 A HA 0.254 4.574 4.320 0.000 0.000 0.265 155 A C 0.865 178.456 177.584 0.012 0.000 0.936 155 A CA -0.367 51.687 52.037 0.029 0.000 1.033 155 A CB -0.380 18.627 19.000 0.011 0.000 1.158 155 A HN 0.732 nan 8.150 nan 0.000 0.485 156 T N -2.629 111.939 114.554 0.023 0.000 3.148 156 T HA 0.416 4.766 4.350 0.000 0.000 0.253 156 T C 1.360 176.077 174.700 0.029 0.000 1.134 156 T CA 0.910 63.020 62.100 0.016 0.000 1.051 156 T CB -0.365 68.515 68.868 0.019 0.000 0.959 156 T HN 1.997 nan 8.240 nan 0.000 0.525 157 G N 0.414 109.239 108.800 0.041 0.000 2.601 157 G HA2 0.214 4.174 3.960 0.000 0.000 0.261 157 G HA3 0.214 4.174 3.960 0.000 0.000 0.261 157 G C 0.095 175.030 174.900 0.059 0.000 1.289 157 G CA -0.307 44.822 45.100 0.048 0.000 0.920 157 G HN 1.219 nan 8.290 nan 0.000 0.571 158 G N -2.697 106.136 108.800 0.055 0.000 3.021 158 G HA2 0.879 4.839 3.960 0.000 0.000 0.290 158 G HA3 0.879 4.839 3.960 0.000 0.000 0.290 158 G C -0.764 174.157 174.900 0.036 0.000 1.291 158 G CA -0.126 45.007 45.100 0.054 0.000 0.834 158 G HN 1.143 nan 8.290 nan 0.000 0.564 159 M N -0.261 119.359 119.600 0.034 0.000 2.721 159 M HA 0.403 4.883 4.480 0.000 0.000 0.271 159 M C -2.921 173.397 176.300 0.030 0.000 1.259 159 M CA -1.457 53.858 55.300 0.025 0.000 0.835 159 M CB 2.874 35.478 32.600 0.008 0.000 1.689 159 M HN 0.190 nan 8.290 nan 0.000 0.470 160 P HA 0.147 nan 4.420 nan 0.000 0.271 160 P C -0.927 176.378 177.300 0.009 0.000 1.216 160 P CA -0.226 62.894 63.100 0.033 0.000 0.776 160 P CB 0.884 32.615 31.700 0.052 0.000 0.881 161 S N 1.711 117.413 115.700 0.004 0.000 2.554 161 S HA 0.581 5.051 4.470 0.000 0.000 0.278 161 S C -0.256 174.291 174.600 -0.088 0.000 1.242 161 S CA -0.216 57.962 58.200 -0.038 0.000 1.051 161 S CB -0.240 62.948 63.200 -0.020 0.000 0.986 161 S HN 0.575 nan 8.310 nan 0.000 0.502 162 T N 2.557 117.000 114.554 -0.186 0.000 2.907 162 T HA 0.729 5.079 4.350 0.000 0.000 0.292 162 T C -3.082 171.331 174.700 -0.479 0.000 1.043 162 T CA -1.823 60.052 62.100 -0.375 0.000 1.003 162 T CB 1.141 69.830 68.868 -0.297 0.000 1.084 162 T HN 0.420 nan 8.240 nan 0.000 0.483 163 P HA 0.279 nan 4.420 nan 0.000 0.274 163 P C -0.354 176.707 177.300 -0.400 0.000 1.237 163 P CA -0.458 62.332 63.100 -0.517 0.000 0.793 163 P CB 0.287 31.583 31.700 -0.674 0.000 0.977 164 H N 0.900 119.849 119.070 -0.201 0.000 2.582 164 H HA 0.044 4.600 4.556 0.000 0.000 0.345 164 H C 0.982 176.250 175.328 -0.100 0.000 1.104 164 H CA 0.053 56.027 56.048 -0.124 0.000 1.390 164 H CB 1.286 30.996 29.762 -0.086 0.000 1.461 164 H HN 0.527 nan 8.280 nan 0.000 0.551 165 E N 1.439 121.650 120.200 0.018 0.000 2.209 165 E HA -0.180 4.170 4.350 0.000 0.000 0.196 165 E C 2.034 178.660 176.600 0.043 0.000 0.993 165 E CA 1.491 57.905 56.400 0.022 0.000 0.819 165 E CB 0.159 29.872 29.700 0.021 0.000 0.745 165 E HN 0.653 nan 8.360 nan 0.000 0.477 166 S N -0.103 115.640 115.700 0.071 0.000 2.399 166 S HA -0.300 4.170 4.470 0.000 0.000 0.231 166 S C 2.038 176.652 174.600 0.023 0.000 1.022 166 S CA 1.400 59.623 58.200 0.038 0.000 0.983 166 S CB -0.337 62.873 63.200 0.015 0.000 0.803 166 S HN 0.489 nan 8.310 nan 0.000 0.480 167 Q N 0.496 120.315 119.800 0.031 0.000 2.259 167 Q HA 0.363 4.703 4.340 0.000 0.000 0.201 167 Q C 0.352 176.360 176.000 0.014 0.000 0.938 167 Q CA 0.502 56.312 55.803 0.011 0.000 0.872 167 Q CB -0.009 28.729 28.738 -0.000 0.000 0.971 167 Q HN 0.614 nan 8.270 nan 0.000 0.494 168 I N 2.499 123.075 120.570 0.009 0.000 2.521 168 I HA 0.395 4.565 4.170 0.000 0.000 0.277 168 I C -2.537 173.609 176.117 0.048 0.000 1.054 168 I CA -2.824 58.497 61.300 0.034 0.000 1.117 168 I CB 2.070 40.091 38.000 0.036 0.000 1.217 168 I HN -0.007 nan 8.210 nan 0.000 0.469 169 P HA 0.125 nan 4.420 nan 0.000 0.267 169 P C 0.937 178.282 177.300 0.074 0.000 1.205 169 P CA 0.645 63.776 63.100 0.051 0.000 0.765 169 P CB 0.741 32.466 31.700 0.041 0.000 0.828 170 G N 2.762 111.604 108.800 0.071 0.000 2.157 170 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 170 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 170 G C 1.118 176.110 174.900 0.153 0.000 0.979 170 G CA 0.325 45.478 45.100 0.090 0.000 0.650 170 G HN 0.660 nan 8.290 nan 0.000 0.529 171 A N 0.746 123.661 122.820 0.157 0.000 1.972 171 A HA 0.174 4.494 4.320 0.000 0.000 0.219 171 A C 2.626 180.398 177.584 0.313 0.000 1.169 171 A CA 2.607 54.806 52.037 0.270 0.000 0.635 171 A CB -0.681 18.277 19.000 -0.070 0.000 0.810 171 A HN 1.813 nan 8.150 nan 0.000 0.446 172 S N -0.393 115.390 115.700 0.137 0.000 2.547 172 S HA 0.049 4.519 4.470 0.000 0.000 0.235 172 S C 1.475 176.149 174.600 0.123 0.000 0.980 172 S CA 0.994 59.257 58.200 0.104 0.000 0.941 172 S CB -0.584 62.639 63.200 0.037 0.000 0.763 172 S HN 0.474 nan 8.310 nan 0.000 0.532 173 L N 0.933 122.239 121.223 0.138 0.000 2.418 173 L HA 0.276 4.616 4.340 0.000 0.000 0.218 173 L C 1.651 178.564 176.870 0.071 0.000 1.125 173 L CA 0.197 55.087 54.840 0.083 0.000 0.835 173 L CB -0.715 41.377 42.059 0.055 0.000 0.953 173 L HN 0.446 nan 8.230 nan 0.000 0.454 174 G N 0.392 109.284 108.800 0.153 0.000 2.528 174 G HA2 0.577 4.537 3.960 0.000 0.000 0.289 174 G HA3 0.577 4.537 3.960 0.000 0.000 0.289 174 G C -0.412 174.556 174.900 0.113 0.000 1.192 174 G CA -0.494 44.606 45.100 -0.000 0.000 0.921 174 G HN 0.118 nan 8.290 nan 0.000 0.512 175 I N -2.147 118.444 120.570 0.033 0.000 3.133 175 I HA 0.868 5.038 4.170 0.000 0.000 0.311 175 I C 0.348 176.548 176.117 0.138 0.000 1.072 175 I CA -0.972 60.385 61.300 0.095 0.000 1.015 175 I CB 2.315 40.344 38.000 0.048 0.000 1.233 175 I HN 0.625 nan 8.210 nan 0.000 0.473 176 T N -1.661 112.974 114.554 0.135 0.000 2.841 176 T HA 0.315 4.665 4.350 0.000 0.000 0.276 176 T C 1.022 175.778 174.700 0.093 0.000 1.003 176 T CA -0.008 62.168 62.100 0.127 0.000 0.995 176 T CB 1.165 70.106 68.868 0.122 0.000 1.260 176 T HN 0.807 nan 8.240 nan 0.000 0.581 177 S N -0.035 115.701 115.700 0.061 0.000 2.419 177 S HA -0.149 4.321 4.470 0.000 0.000 0.235 177 S C 1.233 175.931 174.600 0.163 0.000 1.019 177 S CA 1.305 59.522 58.200 0.028 0.000 0.982 177 S CB -0.857 62.347 63.200 0.007 0.000 0.789 177 S HN 0.717 nan 8.310 nan 0.000 0.490 178 D N 2.315 122.830 120.400 0.191 0.000 2.097 178 D HA 0.021 4.661 4.640 0.000 0.000 0.195 178 D C 2.218 178.649 176.300 0.219 0.000 0.989 178 D CA 1.473 55.617 54.000 0.241 0.000 0.827 178 D CB -1.062 39.827 40.800 0.148 0.000 0.966 178 D HN 0.546 nan 8.370 nan 0.000 0.456 179 G N -0.141 108.748 108.800 0.148 0.000 2.422 179 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 179 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 179 G C 1.472 176.431 174.900 0.098 0.000 1.140 179 G CA 0.214 45.381 45.100 0.111 0.000 0.775 179 G HN 0.261 nan 8.290 nan 0.000 0.545 180 F N 0.940 120.837 119.950 -0.087 0.000 2.161 180 F HA -0.020 4.507 4.527 0.000 0.000 0.300 180 F C 1.814 177.506 175.800 -0.180 0.000 1.089 180 F CA 1.105 58.985 58.000 -0.200 0.000 1.282 180 F CB -0.100 38.661 39.000 -0.398 0.000 1.010 180 F HN 0.107 nan 8.300 nan 0.000 0.485 181 F N 0.311 120.388 119.950 0.212 0.000 2.802 181 F HA 0.041 4.568 4.527 0.000 0.000 0.300 181 F C 2.053 177.893 175.800 0.067 0.000 1.168 181 F CA 0.609 58.683 58.000 0.122 0.000 1.433 181 F CB -0.603 38.499 39.000 0.171 0.000 1.115 181 F HN 0.142 nan 8.300 nan 0.000 0.582 182 Q N -0.381 119.519 119.800 0.167 0.000 2.352 182 Q HA 0.182 4.522 4.340 0.000 0.000 0.212 182 Q C 0.583 176.626 176.000 0.072 0.000 0.888 182 Q CA -0.047 55.828 55.803 0.119 0.000 0.934 182 Q CB 0.595 29.390 28.738 0.096 0.000 1.093 182 Q HN 0.305 nan 8.270 nan 0.000 0.523 183 L N 2.075 123.308 121.223 0.017 0.000 2.525 183 L HA -0.073 4.267 4.340 0.000 0.000 0.278 183 L C 1.253 178.170 176.870 0.078 0.000 1.218 183 L CA 0.602 55.403 54.840 -0.065 0.000 0.878 183 L CB 0.311 42.205 42.059 -0.275 0.000 1.127 183 L HN 0.195 nan 8.230 nan 0.000 0.492 184 E N 1.810 121.983 120.200 -0.045 0.000 2.447 184 E HA 0.100 4.450 4.350 0.000 0.000 0.204 184 E C -0.291 176.259 176.600 -0.084 0.000 0.977 184 E CA 0.195 56.623 56.400 0.046 0.000 0.950 184 E CB 0.831 30.543 29.700 0.020 0.000 0.975 184 E HN 0.622 nan 8.360 nan 0.000 0.496 185 E N 0.974 120.901 120.200 -0.456 0.000 2.393 185 E HA 0.293 4.643 4.350 0.000 0.000 0.273 185 E C -0.828 175.141 176.600 -1.051 0.000 0.918 185 E CA -1.069 55.005 56.400 -0.542 0.000 0.773 185 E CB 2.123 31.667 29.700 -0.260 0.000 1.275 185 E HN -0.098 nan 8.360 nan 0.000 0.451 186 L N 2.992 123.759 121.223 -0.760 0.000 2.418 186 L HA 0.235 4.575 4.340 0.000 0.000 0.274 186 L C -2.321 174.309 176.870 -0.401 0.000 1.135 186 L CA -1.060 53.373 54.840 -0.678 0.000 0.870 186 L CB -0.000 42.072 42.059 0.022 0.000 1.154 186 L HN 0.235 nan 8.230 nan 0.000 0.462 187 P HA 0.165 nan 4.420 nan 0.000 0.268 187 P C 0.583 177.808 177.300 -0.125 0.000 1.204 187 P CA -0.089 62.876 63.100 -0.226 0.000 0.768 187 P CB 0.986 32.570 31.700 -0.194 0.000 0.842 188 G N 2.574 111.317 108.800 -0.095 0.000 2.404 188 G HA2 -0.151 3.809 3.960 0.000 0.000 0.215 188 G HA3 -0.151 3.809 3.960 0.000 0.000 0.215 188 G C 0.567 175.440 174.900 -0.045 0.000 1.174 188 G CA 0.592 45.658 45.100 -0.056 0.000 0.780 188 G HN 0.503 nan 8.290 nan 0.000 0.537 189 R N 0.268 120.735 120.500 -0.055 0.000 2.476 189 R HA 0.521 4.861 4.340 0.000 0.000 0.305 189 R C -1.196 175.069 176.300 -0.059 0.000 0.965 189 R CA -0.304 55.767 56.100 -0.048 0.000 0.867 189 R CB 1.598 31.870 30.300 -0.046 0.000 1.176 189 R HN 0.167 nan 8.270 nan 0.000 0.447 190 S N 1.780 117.449 115.700 -0.052 0.000 2.536 190 S HA 0.717 5.187 4.470 0.000 0.000 0.287 190 S C -1.062 173.496 174.600 -0.070 0.000 1.101 190 S CA -0.860 57.303 58.200 -0.061 0.000 0.950 190 S CB 2.065 65.241 63.200 -0.039 0.000 1.056 190 S HN 0.248 nan 8.310 nan 0.000 0.481 191 V N 2.910 122.761 119.914 -0.104 0.000 2.483 191 V HA 0.482 4.602 4.120 0.000 0.000 0.297 191 V C -0.835 175.164 176.094 -0.160 0.000 1.027 191 V CA -0.547 61.679 62.300 -0.123 0.000 0.855 191 V CB 1.201 32.940 31.823 -0.141 0.000 0.995 191 V HN 0.903 nan 8.190 nan 0.000 0.424 192 I N 5.088 125.583 120.570 -0.125 0.000 2.377 192 I HA 0.470 4.640 4.170 0.000 0.000 0.293 192 I C -0.355 175.693 176.117 -0.114 0.000 0.987 192 I CA -0.601 60.622 61.300 -0.128 0.000 1.185 192 I CB 1.976 39.921 38.000 -0.092 0.000 1.341 192 I HN 0.277 nan 8.210 nan 0.000 0.455 193 V N 5.657 125.501 119.914 -0.117 0.000 2.357 193 V HA 0.930 5.050 4.120 0.000 0.000 0.284 193 V C 0.376 176.501 176.094 0.052 0.000 1.018 193 V CA -0.298 61.985 62.300 -0.028 0.000 0.841 193 V CB 0.606 32.426 31.823 -0.004 0.000 0.991 193 V HN 1.043 nan 8.190 nan 0.000 0.437 194 G N 3.661 112.481 108.800 0.035 0.000 2.333 194 G HA2 0.509 4.469 3.960 0.000 0.000 0.330 194 G HA3 0.509 4.469 3.960 0.000 0.000 0.330 194 G C -0.320 174.582 174.900 0.002 0.000 1.465 194 G CA 0.071 45.193 45.100 0.037 0.000 0.996 194 G HN 1.139 nan 8.290 nan 0.000 0.655 195 A N -0.596 122.228 122.820 0.007 0.000 2.585 195 A HA 0.770 5.090 4.320 0.000 0.000 0.266 195 A C 1.170 178.744 177.584 -0.016 0.000 1.178 195 A CA 1.340 53.370 52.037 -0.012 0.000 0.966 195 A CB 0.085 19.086 19.000 0.002 0.000 1.170 195 A HN 2.087 nan 8.150 nan 0.000 0.558 196 G N -1.435 107.363 108.800 -0.003 0.000 2.557 196 G HA2 0.348 4.309 3.960 0.000 0.000 0.292 196 G HA3 0.348 4.309 3.960 0.000 0.000 0.292 196 G C 0.687 175.586 174.900 -0.001 0.000 1.237 196 G CA 0.097 45.217 45.100 0.034 0.000 0.978 196 G HN 0.601 nan 8.290 nan 0.000 0.498 197 Y N -0.778 119.512 120.300 -0.017 0.000 2.207 197 Y HA -0.127 4.423 4.550 0.000 0.000 0.287 197 Y C 2.257 178.145 175.900 -0.019 0.000 1.156 197 Y CA 1.582 59.658 58.100 -0.040 0.000 1.182 197 Y CB -0.446 38.021 38.460 0.012 0.000 0.979 197 Y HN 0.229 nan 8.280 nan 0.000 0.521 198 I N 0.965 121.060 120.570 -0.791 0.000 2.252 198 I HA -0.248 3.922 4.170 0.000 0.000 0.245 198 I C 2.847 178.798 176.117 -0.276 0.000 1.102 198 I CA 1.168 62.111 61.300 -0.595 0.000 1.385 198 I CB -0.704 36.946 38.000 -0.583 0.000 1.064 198 I HN 0.444 nan 8.210 nan 0.000 0.414 199 A N 0.523 123.225 122.820 -0.196 0.000 1.865 199 A HA -0.174 4.147 4.320 0.000 0.000 0.217 199 A C 2.435 179.963 177.584 -0.093 0.000 1.191 199 A CA 1.926 53.890 52.037 -0.122 0.000 0.623 199 A CB -1.055 17.900 19.000 -0.075 0.000 0.826 199 A HN 0.223 nan 8.150 nan 0.000 0.444 200 V N 0.246 120.117 119.914 -0.071 0.000 2.287 200 V HA -0.314 3.806 4.120 0.000 0.000 0.248 200 V C 2.454 178.552 176.094 0.006 0.000 1.053 200 V CA 2.447 64.728 62.300 -0.031 0.000 1.027 200 V CB -0.966 30.834 31.823 -0.038 0.000 0.646 200 V HN 0.658 nan 8.190 nan 0.000 0.447 201 E N -0.438 119.761 120.200 -0.001 0.000 2.051 201 E HA -0.214 4.136 4.350 0.000 0.000 0.192 201 E C 2.321 178.925 176.600 0.007 0.000 0.991 201 E CA 1.503 57.935 56.400 0.053 0.000 0.799 201 E CB -0.229 29.522 29.700 0.085 0.000 0.748 201 E HN 0.454 nan 8.360 nan 0.000 0.449 202 M N 0.453 119.970 119.600 -0.138 0.000 2.117 202 M HA -0.109 4.371 4.480 0.000 0.000 0.262 202 M C 2.579 178.831 176.300 -0.080 0.000 1.065 202 M CA 1.282 56.428 55.300 -0.256 0.000 1.114 202 M CB -0.915 31.443 32.600 -0.403 0.000 1.361 202 M HN 0.112 nan 8.290 nan 0.000 0.408 203 A N 0.737 123.533 122.820 -0.041 0.000 1.908 203 A HA -0.043 4.277 4.320 0.000 0.000 0.218 203 A C 2.462 180.076 177.584 0.049 0.000 1.181 203 A CA 2.077 54.114 52.037 0.001 0.000 0.627 203 A CB -1.473 17.521 19.000 -0.010 0.000 0.818 203 A HN 0.541 nan 8.150 nan 0.000 0.445 204 G N -0.257 108.606 108.800 0.105 0.000 2.408 204 G HA2 -0.129 3.832 3.960 0.000 0.000 0.217 204 G HA3 -0.129 3.832 3.960 0.000 0.000 0.217 204 G C 1.519 176.497 174.900 0.131 0.000 1.150 204 G CA 1.075 46.287 45.100 0.186 0.000 0.776 204 G HN 0.475 nan 8.290 nan 0.000 0.542 205 I N 0.178 120.867 120.570 0.199 0.000 2.163 205 I HA -0.080 4.090 4.170 0.000 0.000 0.240 205 I C 2.712 178.908 176.117 0.132 0.000 1.081 205 I CA 0.610 62.018 61.300 0.180 0.000 1.353 205 I CB -0.195 37.961 38.000 0.259 0.000 1.054 205 I HN 0.101 nan 8.210 nan 0.000 0.407 206 L N -0.312 121.023 121.223 0.186 0.000 2.042 206 L HA -0.256 4.084 4.340 0.000 0.000 0.210 206 L C 2.738 179.661 176.870 0.090 0.000 1.076 206 L CA 1.541 56.501 54.840 0.200 0.000 0.749 206 L CB -0.562 41.606 42.059 0.183 0.000 0.893 206 L HN 0.246 nan 8.230 nan 0.000 0.432 207 S N -0.578 115.146 115.700 0.039 0.000 2.356 207 S HA -0.167 4.303 4.470 0.000 0.000 0.223 207 S C 2.119 176.697 174.600 -0.036 0.000 1.032 207 S CA 1.206 59.406 58.200 0.001 0.000 1.005 207 S CB -0.121 63.074 63.200 -0.008 0.000 0.867 207 S HN 0.442 nan 8.310 nan 0.000 0.449 208 A N 1.145 123.900 122.820 -0.109 0.000 1.972 208 A HA 0.081 4.401 4.320 0.000 0.000 0.219 208 A C 1.993 179.484 177.584 -0.154 0.000 1.169 208 A CA 1.221 53.147 52.037 -0.185 0.000 0.635 208 A CB -0.628 18.139 19.000 -0.389 0.000 0.810 208 A HN 0.590 nan 8.150 nan 0.000 0.446 209 L N -1.594 119.546 121.223 -0.138 0.000 2.599 209 L HA 0.194 4.534 4.340 0.000 0.000 0.230 209 L C 1.643 178.519 176.870 0.009 0.000 1.141 209 L CA 0.573 55.301 54.840 -0.186 0.000 0.877 209 L CB -0.161 41.766 42.059 -0.219 0.000 1.009 209 L HN 0.596 nan 8.230 nan 0.000 0.447 210 G N -0.796 108.024 108.800 0.032 0.000 2.184 210 G HA2 -0.243 3.718 3.960 0.000 0.000 0.206 210 G HA3 -0.243 3.718 3.960 0.000 0.000 0.206 210 G C 0.337 175.271 174.900 0.056 0.000 0.995 210 G CA 0.162 45.300 45.100 0.063 0.000 0.651 210 G HN 0.242 nan 8.290 nan 0.000 0.511 211 S N 0.007 115.740 115.700 0.055 0.000 2.564 211 S HA 0.478 4.948 4.470 0.000 0.000 0.278 211 S C 0.602 175.209 174.600 0.012 0.000 1.333 211 S CA 0.215 58.432 58.200 0.027 0.000 1.048 211 S CB 0.839 64.056 63.200 0.028 0.000 0.900 211 S HN 0.590 nan 8.310 nan 0.000 0.505 212 K N 3.393 123.791 120.400 -0.002 0.000 2.262 212 K HA 0.222 4.542 4.320 0.000 0.000 0.288 212 K C -0.736 175.854 176.600 -0.015 0.000 1.090 212 K CA -0.014 56.267 56.287 -0.009 0.000 0.918 212 K CB -0.108 32.385 32.500 -0.012 0.000 1.139 212 K HN 0.485 nan 8.250 nan 0.000 0.462 213 T N 2.622 117.169 114.554 -0.012 0.000 2.824 213 T HA 0.346 4.696 4.350 0.000 0.000 0.280 213 T C -0.747 173.939 174.700 -0.023 0.000 0.995 213 T CA -0.715 61.375 62.100 -0.017 0.000 1.009 213 T CB 1.554 70.419 68.868 -0.005 0.000 0.955 213 T HN 0.449 nan 8.240 nan 0.000 0.452 214 S N 2.153 117.832 115.700 -0.034 0.000 2.513 214 S HA 0.662 5.132 4.470 0.000 0.000 0.299 214 S C -1.143 173.430 174.600 -0.045 0.000 1.087 214 S CA -0.729 57.449 58.200 -0.037 0.000 1.012 214 S CB 1.361 64.536 63.200 -0.041 0.000 1.044 214 S HN 0.555 nan 8.310 nan 0.000 0.485 215 L N 3.484 124.683 121.223 -0.040 0.000 2.319 215 L HA 0.592 4.932 4.340 0.000 0.000 0.281 215 L C -0.750 176.094 176.870 -0.042 0.000 1.005 215 L CA -0.310 54.504 54.840 -0.044 0.000 0.828 215 L CB 1.218 43.255 42.059 -0.037 0.000 1.227 215 L HN 0.780 nan 8.230 nan 0.000 0.415 216 M N 7.430 127.003 119.600 -0.045 0.000 2.061 216 M HA 0.486 4.966 4.480 0.000 0.000 0.346 216 M C -1.009 175.278 176.300 -0.022 0.000 1.112 216 M CA -0.525 54.755 55.300 -0.033 0.000 1.021 216 M CB 0.511 33.090 32.600 -0.035 0.000 1.530 216 M HN 0.702 nan 8.290 nan 0.000 0.437 217 I N 1.886 122.432 120.570 -0.039 0.000 2.693 217 I HA 0.502 4.672 4.170 0.000 0.000 0.303 217 I C 0.255 176.325 176.117 -0.079 0.000 1.025 217 I CA -0.958 60.316 61.300 -0.044 0.000 1.086 217 I CB 2.035 39.996 38.000 -0.065 0.000 1.268 217 I HN 0.717 nan 8.210 nan 0.000 0.440 218 R N 1.867 122.337 120.500 -0.049 0.000 2.236 218 R HA 0.179 4.520 4.340 0.000 0.000 0.208 218 R C 0.505 176.537 176.300 -0.447 0.000 1.036 218 R CA 0.637 56.652 56.100 -0.141 0.000 1.001 218 R CB -0.198 30.058 30.300 -0.073 0.000 0.896 218 R HN 0.713 nan 8.270 nan 0.000 0.464 219 H N -0.363 118.493 119.070 -0.356 0.000 3.917 219 H HA 0.100 4.656 4.556 0.000 0.000 0.340 219 H C 0.420 175.096 175.328 -1.085 0.000 1.557 219 H CA -0.320 55.292 56.048 -0.726 0.000 1.383 219 H CB 0.490 30.076 29.762 -0.293 0.000 0.899 219 H HN 0.041 nan 8.280 nan 0.000 0.779 220 D N 0.118 120.171 120.400 -0.578 0.000 2.423 220 D HA 0.124 4.764 4.640 0.000 0.000 0.208 220 D C 0.077 176.279 176.300 -0.162 0.000 1.068 220 D CA 0.355 54.115 54.000 -0.399 0.000 0.860 220 D CB 1.097 41.823 40.800 -0.122 0.000 0.992 220 D HN 0.136 nan 8.370 nan 0.000 0.504 221 K N 0.259 120.589 120.400 -0.116 0.000 2.482 221 K HA 0.491 4.811 4.320 0.000 0.000 0.257 221 K C -0.586 175.970 176.600 -0.074 0.000 0.969 221 K CA -1.072 55.169 56.287 -0.077 0.000 0.842 221 K CB 3.401 35.868 32.500 -0.055 0.000 1.359 221 K HN -0.067 nan 8.250 nan 0.000 0.441 222 V N -0.567 119.302 119.914 -0.075 0.000 2.997 222 V HA 0.429 4.550 4.120 0.000 0.000 0.311 222 V C 0.447 176.476 176.094 -0.109 0.000 1.066 222 V CA -0.838 61.412 62.300 -0.082 0.000 1.039 222 V CB 0.297 32.065 31.823 -0.091 0.000 1.081 222 V HN 0.828 nan 8.190 nan 0.000 0.467 223 L N -0.431 120.717 121.223 -0.125 0.000 3.660 223 L HA -0.200 4.140 4.340 0.000 0.000 0.440 223 L C 1.758 178.625 176.870 -0.005 0.000 1.262 223 L CA 0.589 55.320 54.840 -0.181 0.000 0.837 223 L CB -1.396 40.289 42.059 -0.624 0.000 1.689 223 L HN 0.829 nan 8.230 nan 0.000 0.890 224 R N 0.345 120.852 120.500 0.012 0.000 2.241 224 R HA -0.107 4.233 4.340 0.000 0.000 0.224 224 R C 2.125 178.463 176.300 0.062 0.000 1.101 224 R CA 1.427 57.531 56.100 0.006 0.000 0.995 224 R CB -0.093 30.162 30.300 -0.075 0.000 0.870 224 R HN 0.762 nan 8.270 nan 0.000 0.463 225 S N -0.564 115.234 115.700 0.164 0.000 2.558 225 S HA 0.075 4.545 4.470 0.000 0.000 0.217 225 S C 0.491 175.177 174.600 0.144 0.000 0.975 225 S CA -0.231 58.049 58.200 0.133 0.000 0.912 225 S CB 0.002 63.266 63.200 0.106 0.000 0.776 225 S HN -0.048 nan 8.310 nan 0.000 0.526 226 F N 2.757 122.674 119.950 -0.055 0.000 2.362 226 F HA 0.391 4.918 4.527 0.000 0.000 0.311 226 F C 1.021 176.737 175.800 -0.140 0.000 1.161 226 F CA -1.981 55.973 58.000 -0.076 0.000 1.085 226 F CB 0.066 39.033 39.000 -0.055 0.000 1.311 226 F HN 0.066 nan 8.300 nan 0.000 0.524 227 D N 0.244 120.596 120.400 -0.080 0.000 2.472 227 D HA -0.072 4.568 4.640 0.000 0.000 0.237 227 D C 1.168 177.418 176.300 -0.083 0.000 1.141 227 D CA 0.437 54.292 54.000 -0.242 0.000 0.875 227 D CB 1.060 41.425 40.800 -0.726 0.000 1.192 227 D HN 0.622 nan 8.370 nan 0.000 0.450 228 S N 3.655 119.312 115.700 -0.071 0.000 2.440 228 S HA -0.268 4.202 4.470 0.000 0.000 0.238 228 S C 2.019 176.603 174.600 -0.027 0.000 1.010 228 S CA 1.037 59.216 58.200 -0.034 0.000 0.972 228 S CB -0.285 62.897 63.200 -0.029 0.000 0.774 228 S HN 0.728 nan 8.310 nan 0.000 0.501 229 M N 0.486 120.065 119.600 -0.036 0.000 2.229 229 M HA -0.008 4.472 4.480 0.000 0.000 0.264 229 M C 1.493 177.792 176.300 -0.001 0.000 1.063 229 M CA 1.488 56.782 55.300 -0.010 0.000 1.114 229 M CB -0.187 32.416 32.600 0.006 0.000 1.387 229 M HN 0.271 nan 8.290 nan 0.000 0.420 230 I N 0.607 121.180 120.570 0.005 0.000 2.333 230 I HA -0.163 4.007 4.170 0.000 0.000 0.246 230 I C 2.712 178.811 176.117 -0.030 0.000 1.106 230 I CA 1.554 62.863 61.300 0.015 0.000 1.411 230 I CB -1.604 36.451 38.000 0.091 0.000 1.082 230 I HN 0.444 nan 8.210 nan 0.000 0.420 231 S N -0.036 115.649 115.700 -0.026 0.000 2.382 231 S HA -0.154 4.316 4.470 0.000 0.000 0.228 231 S C 1.983 176.555 174.600 -0.046 0.000 1.027 231 S CA 1.734 59.901 58.200 -0.055 0.000 0.991 231 S CB -0.980 62.195 63.200 -0.043 0.000 0.823 231 S HN 0.398 nan 8.310 nan 0.000 0.469 232 T N 2.493 117.031 114.554 -0.027 0.000 2.732 232 T HA -0.024 4.326 4.350 0.000 0.000 0.261 232 T C 1.852 176.540 174.700 -0.019 0.000 1.040 232 T CA 1.544 63.632 62.100 -0.019 0.000 1.145 232 T CB -0.770 68.093 68.868 -0.008 0.000 0.866 232 T HN 0.568 nan 8.240 nan 0.000 0.427 233 N N 0.297 118.987 118.700 -0.016 0.000 2.104 233 N HA -0.120 4.620 4.740 0.000 0.000 0.190 233 N C 2.065 177.563 175.510 -0.020 0.000 1.024 233 N CA 1.325 54.366 53.050 -0.014 0.000 0.853 233 N CB -0.699 37.782 38.487 -0.009 0.000 1.008 233 N HN 0.402 nan 8.380 nan 0.000 0.424 234 C N -0.512 118.766 119.300 -0.037 0.000 2.429 234 C HA -0.040 4.420 4.460 0.000 0.000 0.277 234 C C 2.501 177.469 174.990 -0.037 0.000 1.262 234 C CA 1.622 60.612 59.018 -0.047 0.000 1.733 234 C CB -1.521 26.160 27.740 -0.099 0.000 2.010 234 C HN 0.531 nan 8.230 nan 0.000 0.483 235 T N 0.602 115.132 114.554 -0.040 0.000 2.821 235 T HA -0.125 4.225 4.350 0.000 0.000 0.267 235 T C 1.544 176.233 174.700 -0.019 0.000 1.046 235 T CA 1.711 63.791 62.100 -0.034 0.000 1.139 235 T CB -0.319 68.526 68.868 -0.037 0.000 0.871 235 T HN 0.702 nan 8.240 nan 0.000 0.454 236 E N 1.050 121.242 120.200 -0.015 0.000 2.072 236 E HA -0.121 4.229 4.350 0.000 0.000 0.191 236 E C 2.386 178.984 176.600 -0.004 0.000 0.985 236 E CA 0.744 57.139 56.400 -0.008 0.000 0.801 236 E CB -0.071 29.625 29.700 -0.006 0.000 0.750 236 E HN 0.431 nan 8.360 nan 0.000 0.452 237 E N 0.845 121.045 120.200 -0.000 0.000 2.110 237 E HA -0.150 4.200 4.350 0.000 0.000 0.193 237 E C 2.281 178.893 176.600 0.020 0.000 0.988 237 E CA 0.645 57.052 56.400 0.013 0.000 0.804 237 E CB -0.108 29.607 29.700 0.025 0.000 0.745 237 E HN 0.306 nan 8.360 nan 0.000 0.458 238 L N 0.870 122.102 121.223 0.014 0.000 2.017 238 L HA -0.204 4.136 4.340 0.000 0.000 0.208 238 L C 2.375 179.247 176.870 0.004 0.000 1.073 238 L CA 1.365 56.215 54.840 0.016 0.000 0.745 238 L CB -0.354 41.707 42.059 0.004 0.000 0.894 238 L HN 0.087 nan 8.230 nan 0.000 0.432 239 E N -0.115 120.083 120.200 -0.003 0.000 2.110 239 E HA -0.204 4.146 4.350 0.000 0.000 0.193 239 E C 1.853 178.449 176.600 -0.008 0.000 0.988 239 E CA 1.123 57.519 56.400 -0.006 0.000 0.804 239 E CB -0.185 29.511 29.700 -0.007 0.000 0.745 239 E HN 0.472 nan 8.360 nan 0.000 0.458 240 N N 0.683 119.380 118.700 -0.006 0.000 2.309 240 N HA -0.094 4.646 4.740 0.000 0.000 0.182 240 N C 1.327 176.830 175.510 -0.013 0.000 1.018 240 N CA 1.075 54.118 53.050 -0.011 0.000 0.876 240 N CB -0.044 38.437 38.487 -0.011 0.000 0.972 240 N HN 0.107 nan 8.380 nan 0.000 0.434 241 A N -0.256 122.561 122.820 -0.006 0.000 2.278 241 A HA 0.452 4.772 4.320 0.000 0.000 0.212 241 A C 1.394 178.966 177.584 -0.020 0.000 1.213 241 A CA 0.607 52.638 52.037 -0.011 0.000 0.840 241 A CB -0.249 18.748 19.000 -0.004 0.000 0.866 241 A HN 0.288 nan 8.150 nan 0.000 0.489 242 G N -1.492 107.297 108.800 -0.018 0.000 2.141 242 G HA2 -0.183 3.777 3.960 0.000 0.000 0.231 242 G HA3 -0.183 3.777 3.960 0.000 0.000 0.231 242 G C 0.089 174.980 174.900 -0.014 0.000 0.984 242 G CA 0.042 45.130 45.100 -0.019 0.000 0.660 242 G HN 0.742 nan 8.290 nan 0.000 0.525 243 V N 1.151 121.059 119.914 -0.010 0.000 2.488 243 V HA 0.388 4.509 4.120 0.000 0.000 0.277 243 V C 0.813 176.900 176.094 -0.012 0.000 1.046 243 V CA -0.172 62.122 62.300 -0.010 0.000 0.986 243 V CB 1.685 33.506 31.823 -0.004 0.000 0.989 243 V HN 0.443 nan 8.190 nan 0.000 0.475 244 E N 4.540 124.731 120.200 -0.015 0.000 2.180 244 E HA 0.283 4.633 4.350 0.000 0.000 0.283 244 E C -1.071 175.518 176.600 -0.018 0.000 1.061 244 E CA -0.455 55.936 56.400 -0.015 0.000 0.861 244 E CB 1.170 30.861 29.700 -0.015 0.000 1.056 244 E HN 0.514 nan 8.360 nan 0.000 0.407 245 V N 7.174 127.077 119.914 -0.018 0.000 2.348 245 V HA 0.152 4.272 4.120 0.000 0.000 0.270 245 V C 0.208 176.290 176.094 -0.021 0.000 1.037 245 V CA -0.513 61.772 62.300 -0.025 0.000 0.872 245 V CB 0.798 32.604 31.823 -0.029 0.000 1.002 245 V HN 0.659 nan 8.190 nan 0.000 0.464 246 L N 6.488 127.697 121.223 -0.023 0.000 2.334 246 L HA 0.375 4.715 4.340 0.000 0.000 0.286 246 L C 0.531 177.386 176.870 -0.024 0.000 1.108 246 L CA -0.259 54.574 54.840 -0.011 0.000 0.875 246 L CB -0.079 41.974 42.059 -0.010 0.000 1.246 246 L HN 0.572 nan 8.230 nan 0.000 0.439 247 K N 2.870 123.258 120.400 -0.020 0.000 2.202 247 K HA 0.312 4.632 4.320 0.000 0.000 0.264 247 K C 0.024 176.627 176.600 0.005 0.000 1.010 247 K CA -0.688 55.537 56.287 -0.103 0.000 0.940 247 K CB 0.384 32.803 32.500 -0.135 0.000 0.983 247 K HN 0.251 nan 8.250 nan 0.000 0.475 248 F N -0.428 119.504 119.950 -0.029 0.000 3.090 248 F HA -0.281 4.247 4.527 0.000 0.000 0.282 248 F C -0.223 175.547 175.800 -0.050 0.000 0.923 248 F CA 0.421 58.380 58.000 -0.068 0.000 0.977 248 F CB -2.070 36.896 39.000 -0.057 0.000 0.954 248 F HN 0.297 nan 8.300 nan 0.000 0.695 249 S N -0.425 115.307 115.700 0.053 0.000 2.566 249 S HA 0.832 5.302 4.470 0.000 0.000 0.298 249 S C -0.269 174.353 174.600 0.036 0.000 1.083 249 S CA -0.827 57.403 58.200 0.049 0.000 0.978 249 S CB 2.923 66.144 63.200 0.034 0.000 1.073 249 S HN 0.397 nan 8.310 nan 0.000 0.491 250 Q N -0.371 119.458 119.800 0.048 0.000 2.482 250 Q HA 0.657 4.997 4.340 0.000 0.000 0.286 250 Q C -1.812 174.236 176.000 0.080 0.000 1.007 250 Q CA -0.984 54.860 55.803 0.069 0.000 0.801 250 Q CB 1.081 29.862 28.738 0.070 0.000 1.455 250 Q HN 0.381 nan 8.270 nan 0.000 0.398 251 V N 2.486 122.478 119.914 0.129 0.000 2.530 251 V HA 0.141 4.261 4.120 0.000 0.000 0.282 251 V C 0.862 177.034 176.094 0.131 0.000 1.048 251 V CA 0.057 62.442 62.300 0.142 0.000 0.997 251 V CB 1.168 33.135 31.823 0.239 0.000 0.987 251 V HN 0.893 nan 8.190 nan 0.000 0.477 252 K N 2.962 123.418 120.400 0.094 0.000 2.350 252 K HA 0.217 4.537 4.320 0.000 0.000 0.196 252 K C 0.469 177.116 176.600 0.078 0.000 1.084 252 K CA 0.441 56.772 56.287 0.073 0.000 0.967 252 K CB 0.663 33.192 32.500 0.049 0.000 0.950 252 K HN 0.903 nan 8.250 nan 0.000 0.512 253 E N -0.465 119.787 120.200 0.086 0.000 2.389 253 E HA 0.196 4.546 4.350 0.000 0.000 0.281 253 E C -1.850 174.798 176.600 0.081 0.000 1.072 253 E CA -0.919 55.531 56.400 0.085 0.000 0.845 253 E CB 1.650 31.383 29.700 0.055 0.000 1.239 253 E HN -0.125 nan 8.360 nan 0.000 0.434 254 V N 2.051 122.018 119.914 0.088 0.000 2.735 254 V HA 0.652 4.772 4.120 0.000 0.000 0.310 254 V C -0.792 175.330 176.094 0.047 0.000 1.061 254 V CA -0.601 61.739 62.300 0.066 0.000 0.913 254 V CB 1.712 33.593 31.823 0.097 0.000 1.005 254 V HN 0.802 nan 8.190 nan 0.000 0.428 255 K N 1.740 122.155 120.400 0.025 0.000 2.527 255 K HA 0.733 5.053 4.320 0.000 0.000 0.260 255 K C -1.270 175.335 176.600 0.007 0.000 0.937 255 K CA -1.170 55.128 56.287 0.019 0.000 0.826 255 K CB 2.309 34.819 32.500 0.018 0.000 1.359 255 K HN 0.299 nan 8.250 nan 0.000 0.434 256 K N 2.247 122.651 120.400 0.007 0.000 2.292 256 K HA 0.135 4.455 4.320 0.000 0.000 0.290 256 K C -0.558 176.040 176.600 -0.003 0.000 1.083 256 K CA 0.079 56.365 56.287 -0.000 0.000 0.918 256 K CB 0.327 32.829 32.500 0.003 0.000 1.089 256 K HN 0.767 nan 8.250 nan 0.000 0.473 257 T N 0.375 114.925 114.554 -0.007 0.000 2.893 257 T HA 0.275 4.625 4.350 0.000 0.000 0.279 257 T C 1.483 176.177 174.700 -0.010 0.000 0.991 257 T CA -0.796 61.299 62.100 -0.008 0.000 0.950 257 T CB 0.442 69.304 68.868 -0.010 0.000 1.223 257 T HN 0.443 nan 8.240 nan 0.000 0.585 258 L N 0.052 121.270 121.223 -0.010 0.000 2.187 258 L HA 0.023 4.363 4.340 0.000 0.000 0.213 258 L C 0.813 177.674 176.870 -0.014 0.000 1.100 258 L CA 0.988 55.822 54.840 -0.010 0.000 0.765 258 L CB -0.225 41.828 42.059 -0.009 0.000 0.904 258 L HN 0.653 nan 8.230 nan 0.000 0.437 259 S N -0.427 115.263 115.700 -0.016 0.000 2.386 259 S HA 0.566 5.036 4.470 0.000 0.000 0.152 259 S C 0.032 174.616 174.600 -0.026 0.000 1.511 259 S CA 0.012 58.200 58.200 -0.021 0.000 1.246 259 S CB 1.246 64.434 63.200 -0.020 0.000 1.338 259 S HN 0.577 nan 8.310 nan 0.000 0.409 260 G N 1.841 110.625 108.800 -0.028 0.000 2.472 260 G HA2 -0.095 3.865 3.960 0.000 0.000 0.205 260 G HA3 -0.095 3.865 3.960 0.000 0.000 0.205 260 G C -1.246 173.636 174.900 -0.030 0.000 1.270 260 G CA -0.915 44.164 45.100 -0.034 0.000 0.974 260 G HN 0.572 nan 8.290 nan 0.000 0.542 261 L N 0.108 121.309 121.223 -0.036 0.000 2.332 261 L HA 0.813 5.153 4.340 0.000 0.000 0.269 261 L C 0.275 177.126 176.870 -0.031 0.000 1.016 261 L CA -0.773 54.048 54.840 -0.032 0.000 0.809 261 L CB 1.946 43.979 42.059 -0.044 0.000 1.280 261 L HN 0.818 nan 8.230 nan 0.000 0.447 262 E N 0.684 120.871 120.200 -0.022 0.000 2.216 262 E HA 0.450 4.800 4.350 0.000 0.000 0.260 262 E C -1.780 174.811 176.600 -0.015 0.000 0.880 262 E CA -0.581 55.808 56.400 -0.019 0.000 0.765 262 E CB 1.969 31.664 29.700 -0.009 0.000 1.174 262 E HN 0.299 nan 8.360 nan 0.000 0.417 263 V N 3.658 123.557 119.914 -0.024 0.000 2.370 263 V HA 0.295 4.415 4.120 0.000 0.000 0.279 263 V C -0.074 176.017 176.094 -0.006 0.000 1.029 263 V CA -0.610 61.676 62.300 -0.022 0.000 0.870 263 V CB 1.493 33.284 31.823 -0.054 0.000 0.984 263 V HN 0.664 nan 8.190 nan 0.000 0.451 264 S N 7.127 122.835 115.700 0.013 0.000 2.452 264 S HA 0.705 5.175 4.470 0.000 0.000 0.284 264 S C -0.182 174.433 174.600 0.025 0.000 1.171 264 S CA -0.541 57.669 58.200 0.018 0.000 1.064 264 S CB 0.598 63.814 63.200 0.026 0.000 0.967 264 S HN 0.782 nan 8.310 nan 0.000 0.484 265 M N 2.012 121.624 119.600 0.019 0.000 2.591 265 M HA 0.783 5.263 4.480 0.000 0.000 0.306 265 M C -1.541 174.775 176.300 0.026 0.000 1.190 265 M CA -0.947 54.369 55.300 0.027 0.000 0.889 265 M CB 1.570 34.182 32.600 0.020 0.000 1.728 265 M HN 0.177 nan 8.290 nan 0.000 0.458 266 V N 1.549 121.483 119.914 0.033 0.000 2.398 266 V HA 0.502 4.622 4.120 0.000 0.000 0.286 266 V C -0.319 175.797 176.094 0.038 0.000 1.026 266 V CA -0.311 62.007 62.300 0.030 0.000 0.868 266 V CB 1.758 33.598 31.823 0.028 0.000 0.982 266 V HN 0.996 nan 8.190 nan 0.000 0.443 267 T N 4.459 119.034 114.554 0.036 0.000 2.758 267 T HA 0.632 4.982 4.350 0.000 0.000 0.285 267 T C 0.079 174.803 174.700 0.040 0.000 0.981 267 T CA -0.217 61.916 62.100 0.056 0.000 0.965 267 T CB 1.367 70.267 68.868 0.052 0.000 0.927 267 T HN 0.836 nan 8.240 nan 0.000 0.448 268 A N 3.842 126.694 122.820 0.054 0.000 3.159 268 A HA 0.586 4.906 4.320 0.000 0.000 0.330 268 A C 0.058 177.554 177.584 -0.147 0.000 1.032 268 A CA -0.525 51.498 52.037 -0.023 0.000 0.841 268 A CB 0.144 19.134 19.000 -0.018 0.000 1.093 268 A HN 0.669 nan 8.150 nan 0.000 0.478 269 V N 2.789 122.589 119.914 -0.191 0.000 2.655 269 V HA 0.172 4.293 4.120 0.000 0.000 0.300 269 V C -1.999 173.820 176.094 -0.458 0.000 1.044 269 V CA -0.851 61.165 62.300 -0.475 0.000 1.095 269 V CB 0.901 32.594 31.823 -0.216 0.000 0.952 269 V HN 0.614 nan 8.190 nan 0.000 0.485 270 P HA 0.308 nan 4.420 nan 0.000 0.276 270 P C 0.667 177.835 177.300 -0.220 0.000 1.235 270 P CA 0.775 63.659 63.100 -0.360 0.000 0.772 270 P CB 0.867 32.365 31.700 -0.336 0.000 0.871 271 G N 1.498 110.214 108.800 -0.140 0.000 2.130 271 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 271 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 271 G C 0.112 174.965 174.900 -0.080 0.000 0.999 271 G CA -0.296 44.750 45.100 -0.091 0.000 0.686 271 G HN 0.670 nan 8.290 nan 0.000 0.515 272 R N -1.394 119.051 120.500 -0.092 0.000 2.764 272 R HA 0.722 5.062 4.340 0.000 0.000 0.270 272 R C -0.231 176.032 176.300 -0.060 0.000 1.014 272 R CA -0.939 55.119 56.100 -0.070 0.000 0.904 272 R CB 0.990 31.240 30.300 -0.082 0.000 1.236 272 R HN 0.113 nan 8.270 nan 0.000 0.466 273 L N 3.099 124.297 121.223 -0.042 0.000 2.371 273 L HA 0.437 4.777 4.340 0.000 0.000 0.272 273 L C -1.824 175.028 176.870 -0.029 0.000 1.124 273 L CA -1.914 52.907 54.840 -0.032 0.000 0.816 273 L CB 0.805 42.851 42.059 -0.021 0.000 1.129 273 L HN 0.448 nan 8.230 nan 0.000 0.448 274 P HA 0.041 nan 4.420 nan 0.000 0.266 274 P C -0.859 176.437 177.300 -0.007 0.000 1.195 274 P CA -0.030 63.061 63.100 -0.015 0.000 0.768 274 P CB 1.045 32.739 31.700 -0.010 0.000 0.838 275 V N 4.210 124.124 119.914 0.001 0.000 2.623 275 V HA 0.453 4.573 4.120 0.000 0.000 0.304 275 V C -0.786 175.314 176.094 0.009 0.000 1.054 275 V CA -0.882 61.420 62.300 0.003 0.000 0.882 275 V CB 1.747 33.572 31.823 0.003 0.000 1.002 275 V HN 0.394 nan 8.190 nan 0.000 0.424 276 M N 4.990 124.595 119.600 0.008 0.000 2.209 276 M HA 0.499 4.979 4.480 0.000 0.000 0.355 276 M C -0.424 175.882 176.300 0.009 0.000 1.171 276 M CA -0.036 55.270 55.300 0.011 0.000 1.069 276 M CB 1.741 34.347 32.600 0.010 0.000 1.622 276 M HN 0.799 nan 8.290 nan 0.000 0.459 277 T N 3.554 118.114 114.554 0.009 0.000 2.876 277 T HA 0.565 4.915 4.350 0.000 0.000 0.289 277 T C -0.771 173.931 174.700 0.004 0.000 1.014 277 T CA -0.671 61.432 62.100 0.006 0.000 0.986 277 T CB 1.793 70.664 68.868 0.006 0.000 1.021 277 T HN 0.492 nan 8.240 nan 0.000 0.458 278 M N 2.743 122.343 119.600 0.000 0.000 2.238 278 M HA 0.533 5.013 4.480 0.000 0.000 0.350 278 M C -0.940 175.355 176.300 -0.008 0.000 1.138 278 M CA -0.673 54.625 55.300 -0.003 0.000 1.040 278 M CB 0.656 33.255 32.600 -0.002 0.000 1.639 278 M HN 0.485 nan 8.290 nan 0.000 0.451 279 I N 6.795 127.356 120.570 -0.015 0.000 2.330 279 I HA 0.446 4.616 4.170 0.000 0.000 0.289 279 I C -2.256 173.846 176.117 -0.025 0.000 1.001 279 I CA -1.701 59.585 61.300 -0.022 0.000 1.193 279 I CB 1.300 39.281 38.000 -0.032 0.000 1.345 279 I HN 0.433 nan 8.210 nan 0.000 0.461 280 P HA 0.311 nan 4.420 nan 0.000 0.287 280 P C -0.986 176.298 177.300 -0.027 0.000 1.290 280 P CA -0.321 62.765 63.100 -0.022 0.000 0.889 280 P CB 1.024 32.714 31.700 -0.017 0.000 1.190 281 D N -1.816 118.568 120.400 -0.028 0.000 2.723 281 D HA -0.102 4.538 4.640 0.000 0.000 0.236 281 D C -0.379 175.898 176.300 -0.040 0.000 1.138 281 D CA 0.675 54.657 54.000 -0.031 0.000 0.676 281 D CB -1.920 38.864 40.800 -0.027 0.000 1.069 281 D HN 0.064 nan 8.370 nan 0.000 0.430 282 V N 1.060 120.946 119.914 -0.047 0.000 2.461 282 V HA 0.074 4.194 4.120 0.000 0.000 0.275 282 V C 1.424 177.479 176.094 -0.065 0.000 1.047 282 V CA -0.137 62.127 62.300 -0.060 0.000 0.955 282 V CB 1.752 33.532 31.823 -0.073 0.000 0.988 282 V HN 0.027 nan 8.190 nan 0.000 0.471 283 D N 1.879 122.235 120.400 -0.073 0.000 2.262 283 D HA 0.053 4.693 4.640 0.000 0.000 0.212 283 D C 0.531 176.776 176.300 -0.092 0.000 0.964 283 D CA 0.832 54.784 54.000 -0.080 0.000 0.875 283 D CB 0.530 41.276 40.800 -0.089 0.000 0.996 283 D HN 0.544 nan 8.370 nan 0.000 0.497 284 C N 1.665 120.906 119.300 -0.098 0.000 2.381 284 C HA 0.602 5.062 4.460 0.000 0.000 0.328 284 C C -1.225 173.686 174.990 -0.132 0.000 1.190 284 C CA -0.911 58.044 59.018 -0.104 0.000 1.369 284 C CB -0.275 27.408 27.740 -0.095 0.000 2.029 284 C HN 0.140 nan 8.230 nan 0.000 0.448 285 L N 7.148 128.266 121.223 -0.174 0.000 2.294 285 L HA 0.679 5.019 4.340 0.000 0.000 0.283 285 L C -0.995 175.660 176.870 -0.358 0.000 1.015 285 L CA -0.135 54.526 54.840 -0.298 0.000 0.831 285 L CB 1.133 42.977 42.059 -0.359 0.000 1.217 285 L HN 0.783 nan 8.230 nan 0.000 0.420 286 L N 5.549 126.572 121.223 -0.334 0.000 2.298 286 L HA 0.484 4.824 4.340 0.000 0.000 0.284 286 L C -1.220 175.496 176.870 -0.257 0.000 1.013 286 L CA -0.423 54.281 54.840 -0.228 0.000 0.824 286 L CB 0.806 42.803 42.059 -0.102 0.000 1.221 286 L HN 0.679 nan 8.230 nan 0.000 0.418 287 W N 4.887 126.173 121.300 -0.023 0.000 2.345 287 W HA 0.493 5.153 4.660 0.000 0.000 0.308 287 W C 0.415 176.909 176.519 -0.040 0.000 1.273 287 W CA -0.583 56.746 57.345 -0.027 0.000 1.243 287 W CB 1.178 30.626 29.460 -0.021 0.000 1.260 287 W HN 0.575 nan 8.180 nan 0.000 0.509 288 A N 5.127 128.052 122.820 0.175 0.000 3.129 288 A HA 0.261 4.581 4.320 0.000 0.000 0.282 288 A C 0.602 178.228 177.584 0.069 0.000 0.948 288 A CA -0.428 51.645 52.037 0.060 0.000 1.027 288 A CB -0.670 18.308 19.000 -0.037 0.000 1.123 288 A HN 0.797 nan 8.150 nan 0.000 0.485 289 I N -3.953 116.687 120.570 0.117 0.000 3.645 289 I HA 0.599 4.769 4.170 0.000 0.000 0.300 289 I C 0.729 176.880 176.117 0.057 0.000 1.260 289 I CA 0.417 61.773 61.300 0.093 0.000 1.365 289 I CB 0.569 38.635 38.000 0.110 0.000 1.077 289 I HN 0.376 nan 8.210 nan 0.000 0.439 290 G N 1.056 109.884 108.800 0.046 0.000 2.315 290 G HA2 0.396 4.356 3.960 0.000 0.000 0.294 290 G HA3 0.396 4.356 3.960 0.000 0.000 0.294 290 G C -1.718 173.210 174.900 0.047 0.000 1.300 290 G CA -0.995 44.135 45.100 0.049 0.000 0.843 290 G HN 0.073 nan 8.290 nan 0.000 0.527 291 R N -0.974 119.566 120.500 0.066 0.000 2.744 291 R HA 0.744 5.084 4.340 0.000 0.000 0.279 291 R C -1.199 175.141 176.300 0.067 0.000 0.977 291 R CA -0.772 55.368 56.100 0.067 0.000 0.906 291 R CB 2.136 32.491 30.300 0.092 0.000 1.197 291 R HN 0.883 nan 8.270 nan 0.000 0.463 292 V N 3.018 122.952 119.914 0.034 0.000 2.628 292 V HA 0.578 4.698 4.120 0.000 0.000 0.306 292 V C -2.329 173.757 176.094 -0.013 0.000 1.045 292 V CA -2.559 59.733 62.300 -0.013 0.000 0.905 292 V CB 2.319 34.123 31.823 -0.031 0.000 0.997 292 V HN 0.572 nan 8.190 nan 0.000 0.436 293 P HA 0.201 nan 4.420 nan 0.000 0.274 293 P C -0.972 176.326 177.300 -0.005 0.000 1.231 293 P CA -0.266 62.824 63.100 -0.017 0.000 0.790 293 P CB 0.485 32.150 31.700 -0.059 0.000 0.951 294 N N 1.231 119.950 118.700 0.032 0.000 2.949 294 N HA 0.122 4.862 4.740 0.000 0.000 0.243 294 N C 0.306 175.849 175.510 0.055 0.000 1.113 294 N CA 0.121 53.195 53.050 0.040 0.000 0.980 294 N CB -0.112 38.401 38.487 0.043 0.000 1.256 294 N HN 0.412 nan 8.380 nan 0.000 0.508 295 T N -2.466 112.117 114.554 0.049 0.000 3.041 295 T HA 0.134 4.484 4.350 0.000 0.000 0.276 295 T C 1.473 176.218 174.700 0.076 0.000 0.948 295 T CA -0.225 61.916 62.100 0.068 0.000 0.885 295 T CB 0.392 69.290 68.868 0.050 0.000 1.175 295 T HN 0.058 nan 8.240 nan 0.000 0.529 296 K N 1.842 122.278 120.400 0.061 0.000 2.103 296 K HA -0.105 4.215 4.320 0.000 0.000 0.207 296 K C 0.493 177.143 176.600 0.083 0.000 1.048 296 K CA 1.471 57.791 56.287 0.056 0.000 0.930 296 K CB -0.233 32.290 32.500 0.039 0.000 0.716 296 K HN 0.380 nan 8.250 nan 0.000 0.444 297 D N 0.249 120.725 120.400 0.127 0.000 2.424 297 D HA 0.070 4.710 4.640 0.000 0.000 0.220 297 D C 1.221 177.675 176.300 0.257 0.000 1.150 297 D CA -0.049 54.055 54.000 0.173 0.000 0.831 297 D CB 0.492 41.381 40.800 0.149 0.000 0.981 297 D HN 0.171 nan 8.370 nan 0.000 0.500 298 L N -0.136 121.200 121.223 0.189 0.000 2.446 298 L HA -0.011 4.329 4.340 0.000 0.000 0.219 298 L C 0.516 177.544 176.870 0.263 0.000 1.116 298 L CA 0.318 55.271 54.840 0.188 0.000 0.844 298 L CB 0.028 42.214 42.059 0.212 0.000 0.970 298 L HN -0.124 nan 8.230 nan 0.000 0.457 299 S N -0.227 115.594 115.700 0.201 0.000 3.812 299 S HA -0.161 4.309 4.470 0.000 0.000 0.341 299 S C 1.165 175.872 174.600 0.179 0.000 1.057 299 S CA 0.135 58.441 58.200 0.178 0.000 1.015 299 S CB -1.729 61.579 63.200 0.181 0.000 0.893 299 S HN 0.322 nan 8.310 nan 0.000 0.476 300 L N 1.448 122.751 121.223 0.132 0.000 2.079 300 L HA -0.204 4.136 4.340 0.000 0.000 0.210 300 L C 2.530 179.369 176.870 -0.052 0.000 1.081 300 L CA 2.008 56.852 54.840 0.007 0.000 0.752 300 L CB -0.580 41.484 42.059 0.009 0.000 0.896 300 L HN 0.736 nan 8.230 nan 0.000 0.433 301 N N 0.485 119.183 118.700 -0.004 0.000 2.443 301 N HA -0.217 4.523 4.740 0.000 0.000 0.184 301 N C 1.375 176.874 175.510 -0.018 0.000 1.037 301 N CA 0.909 53.951 53.050 -0.014 0.000 0.896 301 N CB -0.229 38.260 38.487 0.005 0.000 0.959 301 N HN 0.436 nan 8.380 nan 0.000 0.442 302 K N 0.251 120.650 120.400 -0.001 0.000 2.439 302 K HA 0.119 4.439 4.320 0.000 0.000 0.197 302 K C 1.382 177.961 176.600 -0.035 0.000 1.041 302 K CA 0.530 56.821 56.287 0.007 0.000 0.970 302 K CB 0.196 32.729 32.500 0.056 0.000 0.773 302 K HN 0.244 nan 8.250 nan 0.000 0.479 303 L N -1.094 120.067 121.223 -0.103 0.000 2.966 303 L HA 0.221 4.562 4.340 0.000 0.000 0.262 303 L C 0.696 177.489 176.870 -0.127 0.000 1.165 303 L CA -0.119 54.633 54.840 -0.147 0.000 0.978 303 L CB 0.943 42.824 42.059 -0.296 0.000 1.337 303 L HN 0.263 nan 8.230 nan 0.000 0.563 304 G N 1.737 110.478 108.800 -0.098 0.000 2.221 304 G HA2 -0.287 3.673 3.960 0.000 0.000 0.265 304 G HA3 -0.287 3.673 3.960 0.000 0.000 0.265 304 G C 0.121 174.968 174.900 -0.088 0.000 1.041 304 G CA -0.090 44.966 45.100 -0.073 0.000 0.807 304 G HN 0.276 nan 8.290 nan 0.000 0.502 305 I N 0.542 121.038 120.570 -0.124 0.000 2.533 305 I HA 0.105 4.275 4.170 0.000 0.000 0.284 305 I C 1.215 177.295 176.117 -0.061 0.000 1.109 305 I CA 0.088 61.317 61.300 -0.119 0.000 1.412 305 I CB 0.761 38.651 38.000 -0.184 0.000 1.396 305 I HN 0.217 nan 8.210 nan 0.000 0.543 306 Q N 4.969 124.744 119.800 -0.040 0.000 2.313 306 Q HA 0.217 4.557 4.340 0.000 0.000 0.266 306 Q C -0.044 175.957 176.000 0.002 0.000 0.989 306 Q CA 0.031 55.824 55.803 -0.016 0.000 0.890 306 Q CB 1.014 29.746 28.738 -0.010 0.000 1.200 306 Q HN 0.752 nan 8.270 nan 0.000 0.396 307 T N -1.321 113.239 114.554 0.009 0.000 2.907 307 T HA 0.437 4.787 4.350 0.000 0.000 0.290 307 T C -0.464 174.254 174.700 0.031 0.000 1.066 307 T CA -1.101 61.016 62.100 0.028 0.000 1.012 307 T CB 1.536 70.416 68.868 0.020 0.000 1.184 307 T HN 0.551 nan 8.240 nan 0.000 0.522 308 D N -0.278 120.155 120.400 0.055 0.000 2.511 308 D HA 0.212 4.852 4.640 0.000 0.000 0.276 308 D C 0.685 177.002 176.300 0.028 0.000 1.220 308 D CA -0.501 53.531 54.000 0.054 0.000 1.077 308 D CB 0.060 40.920 40.800 0.101 0.000 1.126 308 D HN 0.608 nan 8.370 nan 0.000 0.583 309 D N -1.375 119.041 120.400 0.025 0.000 2.363 309 D HA -0.112 4.528 4.640 0.000 0.000 0.220 309 D C 0.819 177.110 176.300 -0.016 0.000 0.994 309 D CA 0.568 54.571 54.000 0.004 0.000 0.890 309 D CB -0.081 40.721 40.800 0.004 0.000 0.906 309 D HN 0.182 nan 8.370 nan 0.000 0.530 310 K N -0.317 120.066 120.400 -0.028 0.000 2.393 310 K HA 0.281 4.601 4.320 0.000 0.000 0.193 310 K C 1.548 178.015 176.600 -0.222 0.000 1.026 310 K CA 0.604 56.818 56.287 -0.122 0.000 1.064 310 K CB 0.448 32.853 32.500 -0.158 0.000 0.833 310 K HN 0.318 nan 8.250 nan 0.000 0.521 311 G N 1.553 110.267 108.800 -0.142 0.000 2.176 311 G HA2 -0.239 3.721 3.960 0.000 0.000 0.232 311 G HA3 -0.239 3.721 3.960 0.000 0.000 0.232 311 G C -0.380 174.447 174.900 -0.121 0.000 0.986 311 G CA -0.117 44.912 45.100 -0.119 0.000 0.643 311 G HN 0.500 nan 8.290 nan 0.000 0.522 312 H N -0.211 118.870 119.070 0.019 0.000 2.707 312 H HA 0.536 5.092 4.556 0.000 0.000 0.359 312 H C 1.041 176.379 175.328 0.017 0.000 1.113 312 H CA -0.038 56.022 56.048 0.020 0.000 1.422 312 H CB 0.892 30.661 29.762 0.012 0.000 1.443 312 H HN 0.269 nan 8.280 nan 0.000 0.591 313 I N 3.700 124.366 120.570 0.160 0.000 2.496 313 I HA -0.007 4.163 4.170 0.000 0.000 0.285 313 I C -0.017 176.146 176.117 0.075 0.000 1.080 313 I CA -0.116 61.240 61.300 0.094 0.000 1.404 313 I CB 0.498 38.549 38.000 0.086 0.000 1.403 313 I HN 0.359 nan 8.210 nan 0.000 0.539 314 I N 7.372 127.970 120.570 0.046 0.000 2.395 314 I HA 0.321 4.491 4.170 0.000 0.000 0.289 314 I C 0.229 176.361 176.117 0.025 0.000 1.023 314 I CA -0.194 61.121 61.300 0.026 0.000 1.350 314 I CB 0.996 39.006 38.000 0.016 0.000 1.409 314 I HN 0.285 nan 8.210 nan 0.000 0.507 315 V N 2.563 122.487 119.914 0.017 0.000 3.160 315 V HA 0.706 4.826 4.120 0.000 0.000 0.310 315 V C -0.596 175.512 176.094 0.024 0.000 1.181 315 V CA -0.937 61.388 62.300 0.040 0.000 1.047 315 V CB 2.092 33.955 31.823 0.066 0.000 1.068 315 V HN 0.724 nan 8.190 nan 0.000 0.441 316 D N 0.199 120.637 120.400 0.063 0.000 2.539 316 D HA 0.208 4.848 4.640 0.000 0.000 0.280 316 D C 1.040 177.348 176.300 0.013 0.000 1.208 316 D CA 0.165 54.196 54.000 0.052 0.000 1.088 316 D CB 0.285 41.157 40.800 0.121 0.000 1.149 316 D HN 0.822 nan 8.370 nan 0.000 0.596 317 E N -0.782 119.377 120.200 -0.068 0.000 2.338 317 E HA -0.132 4.218 4.350 0.000 0.000 0.197 317 E C 0.568 176.977 176.600 -0.318 0.000 1.007 317 E CA 0.720 56.978 56.400 -0.237 0.000 0.849 317 E CB -0.455 29.011 29.700 -0.389 0.000 0.774 317 E HN 0.410 nan 8.360 nan 0.000 0.506 318 F N 0.968 120.969 119.950 0.084 0.000 2.639 318 F HA 0.241 4.768 4.527 0.000 0.000 0.302 318 F C 0.337 176.205 175.800 0.113 0.000 1.097 318 F CA -0.328 57.722 58.000 0.084 0.000 1.294 318 F CB 0.629 39.669 39.000 0.067 0.000 1.027 318 F HN -0.178 nan 8.300 nan 0.000 0.550 319 Q N -0.957 118.991 119.800 0.247 0.000 2.465 319 Q HA -0.212 4.128 4.340 0.000 0.000 0.248 319 Q C -0.790 175.401 176.000 0.318 0.000 0.819 319 Q CA 0.431 56.378 55.803 0.239 0.000 1.219 319 Q CB -2.394 26.480 28.738 0.227 0.000 1.472 319 Q HN 0.398 nan 8.270 nan 0.000 0.630 320 N N 1.770 120.660 118.700 0.318 0.000 2.530 320 N HA 0.206 4.946 4.740 0.000 0.000 0.273 320 N C 0.848 176.433 175.510 0.125 0.000 1.173 320 N CA 0.769 53.983 53.050 0.274 0.000 0.967 320 N CB 1.020 39.647 38.487 0.234 0.000 1.109 320 N HN 0.369 nan 8.380 nan 0.000 0.453 321 T N -1.363 113.209 114.554 0.031 0.000 2.833 321 T HA 0.120 4.470 4.350 0.000 0.000 0.292 321 T C 1.279 175.968 174.700 -0.019 0.000 1.031 321 T CA -0.599 61.498 62.100 -0.004 0.000 0.937 321 T CB 0.351 69.189 68.868 -0.051 0.000 1.256 321 T HN 0.542 nan 8.240 nan 0.000 0.551 322 N N -0.570 118.110 118.700 -0.033 0.000 2.461 322 N HA 0.020 4.760 4.740 0.000 0.000 0.188 322 N C -0.091 175.388 175.510 -0.052 0.000 1.134 322 N CA -0.055 52.978 53.050 -0.029 0.000 0.878 322 N CB -0.283 38.189 38.487 -0.025 0.000 0.972 322 N HN 0.374 nan 8.380 nan 0.000 0.456 323 V N 1.330 121.191 119.914 -0.089 0.000 2.427 323 V HA 0.194 4.314 4.120 0.000 0.000 0.286 323 V C 0.415 176.432 176.094 -0.128 0.000 1.034 323 V CA -1.025 61.210 62.300 -0.108 0.000 0.893 323 V CB 1.466 33.200 31.823 -0.148 0.000 0.982 323 V HN 0.043 nan 8.190 nan 0.000 0.452 324 K N 3.018 123.363 120.400 -0.091 0.000 2.484 324 K HA 0.336 4.656 4.320 0.000 0.000 0.280 324 K C 1.195 177.717 176.600 -0.130 0.000 1.013 324 K CA 1.074 57.311 56.287 -0.085 0.000 1.029 324 K CB 0.274 32.755 32.500 -0.032 0.000 0.902 324 K HN 1.155 nan 8.250 nan 0.000 0.481 325 G N 2.844 111.528 108.800 -0.193 0.000 2.143 325 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 325 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 325 G C -0.006 174.629 174.900 -0.442 0.000 0.991 325 G CA -0.202 44.785 45.100 -0.188 0.000 0.689 325 G HN 0.550 nan 8.290 nan 0.000 0.522 326 I N -0.080 120.061 120.570 -0.714 0.000 2.466 326 I HA 0.576 4.746 4.170 0.000 0.000 0.289 326 I C -0.299 175.419 176.117 -0.664 0.000 1.026 326 I CA -1.104 59.904 61.300 -0.488 0.000 1.078 326 I CB 1.496 39.373 38.000 -0.205 0.000 1.249 326 I HN 0.032 nan 8.210 nan 0.000 0.429 327 Y N 3.929 124.323 120.300 0.157 0.000 2.633 327 Y HA 0.858 5.408 4.550 0.000 0.000 0.339 327 Y C 0.041 176.019 175.900 0.130 0.000 1.045 327 Y CA -1.169 57.017 58.100 0.144 0.000 1.098 327 Y CB 1.925 40.490 38.460 0.175 0.000 1.296 327 Y HN 0.576 nan 8.280 nan 0.000 0.494 328 A N 0.828 123.813 122.820 0.276 0.000 2.488 328 A HA 0.827 5.147 4.320 0.000 0.000 0.298 328 A C -1.469 176.219 177.584 0.174 0.000 1.044 328 A CA -0.580 51.571 52.037 0.189 0.000 0.693 328 A CB 1.220 20.302 19.000 0.137 0.000 1.272 328 A HN 1.174 nan 8.150 nan 0.000 0.402 329 V N -0.530 119.470 119.914 0.144 0.000 3.130 329 V HA 1.018 5.138 4.120 0.000 0.000 0.310 329 V C 0.421 176.578 176.094 0.105 0.000 1.158 329 V CA 0.245 62.624 62.300 0.132 0.000 1.029 329 V CB 0.979 32.878 31.823 0.127 0.000 1.057 329 V HN 2.970 nan 8.190 nan 0.000 0.436 330 G N 2.158 111.023 108.800 0.108 0.000 2.615 330 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 330 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 330 G C -0.024 174.929 174.900 0.087 0.000 1.339 330 G CA 0.576 45.728 45.100 0.087 0.000 0.884 330 G HN 1.095 nan 8.290 nan 0.000 0.559 331 D N -0.789 119.659 120.400 0.081 0.000 2.228 331 D HA -0.041 4.599 4.640 0.000 0.000 0.203 331 D C 2.421 178.797 176.300 0.127 0.000 0.988 331 D CA 1.375 55.431 54.000 0.094 0.000 0.864 331 D CB -0.091 40.763 40.800 0.091 0.000 0.928 331 D HN 0.543 nan 8.370 nan 0.000 0.469 332 V N -0.371 119.615 119.914 0.121 0.000 2.913 332 V HA -0.176 3.944 4.120 0.000 0.000 0.260 332 V C 1.654 177.870 176.094 0.203 0.000 1.098 332 V CA 1.157 63.551 62.300 0.156 0.000 1.121 332 V CB -0.200 31.690 31.823 0.112 0.000 0.714 332 V HN 0.331 nan 8.190 nan 0.000 0.487 333 C N 0.347 119.720 119.300 0.122 0.000 2.673 333 C HA 0.442 4.902 4.460 0.000 0.000 0.264 333 C C 1.993 176.903 174.990 -0.133 0.000 1.304 333 C CA 0.116 59.163 59.018 0.047 0.000 1.727 333 C CB -0.869 26.882 27.740 0.018 0.000 1.932 333 C HN 0.806 nan 8.230 nan 0.000 0.563 334 G N 1.888 110.590 108.800 -0.163 0.000 2.168 334 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 334 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 334 G C -0.064 174.652 174.900 -0.306 0.000 0.997 334 G CA 0.838 45.644 45.100 -0.491 0.000 0.708 334 G HN 0.746 nan 8.290 nan 0.000 0.520 335 K N -1.088 119.214 120.400 -0.163 0.000 2.324 335 K HA 0.756 5.076 4.320 0.000 0.000 0.253 335 K C 0.524 177.129 176.600 0.008 0.000 0.932 335 K CA -0.094 56.120 56.287 -0.122 0.000 0.799 335 K CB 1.866 34.231 32.500 -0.225 0.000 1.154 335 K HN 1.673 nan 8.250 nan 0.000 0.425 336 A N 3.852 126.692 122.820 0.034 0.000 2.091 336 A HA -0.132 4.188 4.320 0.000 0.000 0.270 336 A C -0.203 177.428 177.584 0.077 0.000 1.368 336 A CA 0.408 52.493 52.037 0.081 0.000 0.745 336 A CB -1.858 17.250 19.000 0.181 0.000 1.173 336 A HN 0.737 nan 8.150 nan 0.000 0.322 337 L N 1.746 123.008 121.223 0.065 0.000 2.382 337 L HA 0.383 4.723 4.340 0.000 0.000 0.259 337 L C 0.202 177.119 176.870 0.078 0.000 1.291 337 L CA 0.268 55.160 54.840 0.086 0.000 1.176 337 L CB -0.578 41.552 42.059 0.119 0.000 1.373 337 L HN 0.578 nan 8.230 nan 0.000 0.426 338 L N 0.274 121.527 121.223 0.050 0.000 2.424 338 L HA 0.354 4.694 4.340 0.000 0.000 0.258 338 L C 1.123 178.007 176.870 0.023 0.000 0.995 338 L CA -0.445 54.409 54.840 0.023 0.000 0.821 338 L CB 2.295 44.343 42.059 -0.018 0.000 1.383 338 L HN 0.064 nan 8.230 nan 0.000 0.410 339 T N 0.765 115.331 114.554 0.019 0.000 2.737 339 T HA -0.040 4.310 4.350 0.000 0.000 0.265 339 T C -1.181 173.517 174.700 -0.003 0.000 1.038 339 T CA 1.650 63.754 62.100 0.007 0.000 1.144 339 T CB -0.442 68.427 68.868 0.002 0.000 0.866 339 T HN 0.457 nan 8.240 nan 0.000 0.434 340 P HA 0.038 nan 4.420 nan 0.000 0.222 340 P C 1.437 178.717 177.300 -0.034 0.000 1.147 340 P CA 0.483 63.573 63.100 -0.017 0.000 0.790 340 P CB -0.143 31.546 31.700 -0.018 0.000 0.780 341 V N 0.268 120.161 119.914 -0.034 0.000 2.323 341 V HA -0.180 3.940 4.120 0.000 0.000 0.244 341 V C 2.523 178.603 176.094 -0.023 0.000 1.041 341 V CA 2.093 64.358 62.300 -0.059 0.000 1.025 341 V CB -1.683 30.129 31.823 -0.019 0.000 0.656 341 V HN 0.092 nan 8.190 nan 0.000 0.451 342 A N 0.102 122.931 122.820 0.015 0.000 1.877 342 A HA -0.182 4.138 4.320 0.000 0.000 0.216 342 A C 2.199 179.793 177.584 0.017 0.000 1.186 342 A CA 1.954 54.010 52.037 0.032 0.000 0.620 342 A CB -0.568 18.451 19.000 0.030 0.000 0.822 342 A HN 0.479 nan 8.150 nan 0.000 0.443 343 I N -0.272 120.298 120.570 0.001 0.000 2.099 343 I HA -0.336 3.834 4.170 0.000 0.000 0.239 343 I C 3.033 179.154 176.117 0.006 0.000 1.066 343 I CA 1.327 62.629 61.300 0.003 0.000 1.324 343 I CB -0.435 37.565 38.000 -0.001 0.000 1.037 343 I HN 0.374 nan 8.210 nan 0.000 0.401 344 A N 0.562 123.371 122.820 -0.019 0.000 1.908 344 A HA -0.190 4.130 4.320 0.000 0.000 0.218 344 A C 2.500 180.068 177.584 -0.027 0.000 1.181 344 A CA 2.025 54.042 52.037 -0.033 0.000 0.627 344 A CB -0.906 18.046 19.000 -0.080 0.000 0.818 344 A HN 0.477 nan 8.150 nan 0.000 0.445 345 A N -0.643 122.157 122.820 -0.033 0.000 1.930 345 A HA 0.171 4.491 4.320 0.000 0.000 0.217 345 A C 2.381 179.997 177.584 0.053 0.000 1.175 345 A CA 1.805 53.848 52.037 0.010 0.000 0.627 345 A CB -1.273 17.765 19.000 0.063 0.000 0.815 345 A HN 0.712 nan 8.150 nan 0.000 0.443 346 G N -0.489 108.345 108.800 0.056 0.000 2.402 346 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 346 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 346 G C 1.779 176.723 174.900 0.072 0.000 1.162 346 G CA 0.837 45.983 45.100 0.077 0.000 0.777 346 G HN 0.562 nan 8.290 nan 0.000 0.539 347 R N 0.140 120.677 120.500 0.063 0.000 2.066 347 R HA 0.021 4.361 4.340 0.000 0.000 0.232 347 R C 2.599 178.986 176.300 0.144 0.000 1.131 347 R CA 1.090 57.242 56.100 0.087 0.000 0.955 347 R CB -0.170 30.191 30.300 0.102 0.000 0.851 347 R HN 0.104 nan 8.270 nan 0.000 0.432 348 K N 0.830 121.297 120.400 0.112 0.000 2.097 348 K HA -0.146 4.174 4.320 0.000 0.000 0.206 348 K C 2.066 178.712 176.600 0.078 0.000 1.049 348 K CA 0.886 57.240 56.287 0.112 0.000 0.933 348 K CB -0.388 32.142 32.500 0.050 0.000 0.717 348 K HN 0.111 nan 8.250 nan 0.000 0.442 349 L N 0.985 122.226 121.223 0.030 0.000 2.056 349 L HA -0.051 4.289 4.340 0.000 0.000 0.207 349 L C 2.184 178.949 176.870 -0.176 0.000 1.078 349 L CA 1.832 56.634 54.840 -0.063 0.000 0.749 349 L CB -0.749 41.285 42.059 -0.042 0.000 0.901 349 L HN 0.117 nan 8.230 nan 0.000 0.433 350 A N -1.340 121.414 122.820 -0.110 0.000 1.902 350 A HA -0.245 4.075 4.320 0.000 0.000 0.217 350 A C 2.229 179.674 177.584 -0.233 0.000 1.181 350 A CA 1.749 53.691 52.037 -0.160 0.000 0.623 350 A CB -1.004 17.924 19.000 -0.121 0.000 0.818 350 A HN 0.673 nan 8.150 nan 0.000 0.443 351 H N -0.943 118.065 119.070 -0.104 0.000 2.387 351 H HA -0.097 4.459 4.556 0.000 0.000 0.299 351 H C 2.292 177.498 175.328 -0.205 0.000 1.090 351 H CA 1.733 57.711 56.048 -0.115 0.000 1.332 351 H CB -0.115 29.609 29.762 -0.063 0.000 1.386 351 H HN 0.574 nan 8.280 nan 0.000 0.516 352 R N 0.801 121.237 120.500 -0.107 0.000 2.073 352 R HA -0.077 4.263 4.340 0.000 0.000 0.234 352 R C 2.333 178.358 176.300 -0.459 0.000 1.134 352 R CA 0.993 56.969 56.100 -0.206 0.000 0.952 352 R CB -0.078 30.135 30.300 -0.144 0.000 0.850 352 R HN 0.206 nan 8.270 nan 0.000 0.433 353 L N -0.824 119.964 121.223 -0.725 0.000 2.095 353 L HA -0.010 4.330 4.340 0.000 0.000 0.204 353 L C 1.610 177.541 176.870 -1.565 0.000 1.080 353 L CA 0.897 54.989 54.840 -1.246 0.000 0.759 353 L CB -0.162 40.794 42.059 -1.839 0.000 0.914 353 L HN 0.171 nan 8.230 nan 0.000 0.439 354 F N -1.018 118.525 119.950 -0.678 0.000 2.731 354 F HA 0.103 4.630 4.527 0.000 0.000 0.298 354 F C 2.022 177.454 175.800 -0.613 0.000 1.106 354 F CA 0.106 57.728 58.000 -0.629 0.000 1.329 354 F CB 0.125 38.864 39.000 -0.435 0.000 1.100 354 F HN 0.001 nan 8.300 nan 0.000 0.592 355 E N -1.210 118.720 120.200 -0.450 0.000 2.583 355 E HA 0.055 4.405 4.350 0.000 0.000 0.213 355 E C -0.274 176.264 176.600 -0.103 0.000 0.989 355 E CA -0.032 56.269 56.400 -0.166 0.000 0.991 355 E CB 0.147 29.889 29.700 0.070 0.000 1.040 355 E HN 0.302 nan 8.360 nan 0.000 0.481 356 Y N -0.439 119.824 120.300 -0.061 0.000 4.177 356 Y HA -0.288 4.262 4.550 0.000 0.000 0.227 356 Y C -0.366 175.505 175.900 -0.048 0.000 1.154 356 Y CA 0.685 58.743 58.100 -0.070 0.000 1.887 356 Y CB -2.046 36.387 38.460 -0.045 0.000 1.594 356 Y HN 0.036 nan 8.280 nan 0.000 0.668 357 K N 2.048 122.448 120.400 0.000 0.000 2.171 357 K HA 0.101 4.421 4.320 0.000 0.000 0.274 357 K C 0.994 177.588 176.600 -0.010 0.000 1.110 357 K CA 0.440 56.736 56.287 0.017 0.000 0.952 357 K CB 0.365 32.879 32.500 0.022 0.000 1.309 357 K HN 0.652 nan 8.250 nan 0.000 0.414 358 E N 1.392 121.582 120.200 -0.016 0.000 2.268 358 E HA -0.200 4.150 4.350 0.000 0.000 0.195 358 E C 0.664 177.243 176.600 -0.034 0.000 0.995 358 E CA 1.321 57.670 56.400 -0.084 0.000 0.836 358 E CB 0.043 29.681 29.700 -0.104 0.000 0.763 358 E HN 0.476 nan 8.360 nan 0.000 0.491 359 D N 0.920 121.367 120.400 0.079 0.000 2.328 359 D HA -0.024 4.616 4.640 0.000 0.000 0.226 359 D C 0.108 176.546 176.300 0.230 0.000 1.066 359 D CA -0.093 54.031 54.000 0.206 0.000 0.861 359 D CB 0.110 40.980 40.800 0.117 0.000 0.912 359 D HN 0.017 nan 8.370 nan 0.000 0.521 360 S N 0.510 116.313 115.700 0.172 0.000 2.430 360 S HA 0.303 4.773 4.470 0.000 0.000 0.282 360 S C -0.213 174.511 174.600 0.207 0.000 1.186 360 S CA -0.494 57.783 58.200 0.129 0.000 1.060 360 S CB -0.213 63.030 63.200 0.072 0.000 0.966 360 S HN 0.438 nan 8.310 nan 0.000 0.501 361 K N 2.887 123.355 120.400 0.114 0.000 2.607 361 K HA 0.502 4.822 4.320 0.000 0.000 0.287 361 K C -1.753 174.831 176.600 -0.026 0.000 0.996 361 K CA -1.151 55.165 56.287 0.050 0.000 0.876 361 K CB 0.542 32.981 32.500 -0.100 0.000 1.496 361 K HN 0.359 nan 8.250 nan 0.000 0.415 362 L N 1.640 122.829 121.223 -0.056 0.000 2.292 362 L HA 0.363 4.703 4.340 0.000 0.000 0.284 362 L C -0.849 175.923 176.870 -0.163 0.000 1.065 362 L CA 0.263 55.002 54.840 -0.168 0.000 0.806 362 L CB 1.144 42.998 42.059 -0.341 0.000 1.175 362 L HN 0.724 nan 8.230 nan 0.000 0.431 363 D N 3.106 123.416 120.400 -0.151 0.000 2.317 363 D HA 0.063 4.703 4.640 0.000 0.000 0.252 363 D C -0.046 176.176 176.300 -0.130 0.000 1.174 363 D CA 0.287 54.243 54.000 -0.073 0.000 0.866 363 D CB 0.520 41.288 40.800 -0.053 0.000 1.127 363 D HN 0.502 nan 8.370 nan 0.000 0.467 364 Y N 2.037 122.307 120.300 -0.051 0.000 2.471 364 Y HA 0.168 4.718 4.550 0.000 0.000 0.286 364 Y C 0.429 176.305 175.900 -0.041 0.000 1.188 364 Y CA -0.224 57.848 58.100 -0.046 0.000 1.286 364 Y CB -0.328 38.102 38.460 -0.051 0.000 1.072 364 Y HN 0.303 nan 8.280 nan 0.000 0.517 365 N N -0.010 118.728 118.700 0.062 0.000 2.495 365 N HA 0.150 4.890 4.740 0.000 0.000 0.280 365 N C -0.354 175.158 175.510 0.004 0.000 1.168 365 N CA -0.501 52.569 53.050 0.034 0.000 0.978 365 N CB 0.321 38.826 38.487 0.031 0.000 1.191 365 N HN 0.117 nan 8.380 nan 0.000 0.497 366 N N -0.512 118.190 118.700 0.003 0.000 2.735 366 N HA -0.192 4.548 4.740 0.000 0.000 0.248 366 N C -1.176 174.319 175.510 -0.026 0.000 1.083 366 N CA 0.113 53.159 53.050 -0.007 0.000 0.703 366 N CB -1.180 37.309 38.487 0.004 0.000 1.005 366 N HN 0.455 nan 8.380 nan 0.000 0.550 367 I N 1.416 121.964 120.570 -0.035 0.000 2.416 367 I HA 0.229 4.399 4.170 0.000 0.000 0.288 367 I C -1.648 174.436 176.117 -0.055 0.000 1.051 367 I CA -1.589 59.680 61.300 -0.052 0.000 1.375 367 I CB 0.577 38.544 38.000 -0.055 0.000 1.407 367 I HN -0.074 nan 8.210 nan 0.000 0.516 368 P HA 0.345 nan 4.420 nan 0.000 0.281 368 P C -1.012 176.244 177.300 -0.073 0.000 1.249 368 P CA -0.406 62.662 63.100 -0.053 0.000 0.810 368 P CB 1.279 32.962 31.700 -0.029 0.000 1.008 369 T N 0.411 114.913 114.554 -0.087 0.000 2.916 369 T HA 0.430 4.781 4.350 0.000 0.000 0.298 369 T C -0.628 174.001 174.700 -0.119 0.000 1.031 369 T CA -0.473 61.559 62.100 -0.113 0.000 0.993 369 T CB 1.422 70.210 68.868 -0.133 0.000 1.045 369 T HN 0.099 nan 8.240 nan 0.000 0.454 370 V N 2.804 122.595 119.914 -0.204 0.000 2.555 370 V HA 0.566 4.686 4.120 0.000 0.000 0.302 370 V C -0.485 175.329 176.094 -0.466 0.000 1.038 370 V CA -0.697 61.383 62.300 -0.367 0.000 0.887 370 V CB 2.060 33.551 31.823 -0.552 0.000 0.991 370 V HN 0.752 nan 8.190 nan 0.000 0.434 371 V N 5.140 124.801 119.914 -0.422 0.000 2.384 371 V HA 0.406 4.526 4.120 0.000 0.000 0.287 371 V C -0.363 175.417 176.094 -0.523 0.000 1.020 371 V CA -0.413 61.700 62.300 -0.312 0.000 0.850 371 V CB 1.437 33.182 31.823 -0.129 0.000 0.987 371 V HN 0.732 nan 8.190 nan 0.000 0.436 372 F N 4.004 123.787 119.950 -0.278 0.000 2.659 372 F HA 0.234 4.762 4.527 0.000 0.000 0.360 372 F C 1.394 177.012 175.800 -0.304 0.000 1.218 372 F CA -0.121 57.496 58.000 -0.639 0.000 1.317 372 F CB -0.189 38.173 39.000 -1.063 0.000 1.697 372 F HN 0.594 nan 8.300 nan 0.000 0.637 373 S N -0.588 115.069 115.700 -0.072 0.000 2.647 373 S HA 0.454 4.924 4.470 0.000 0.000 0.284 373 S C -0.401 174.174 174.600 -0.043 0.000 1.134 373 S CA -0.795 57.419 58.200 0.023 0.000 1.027 373 S CB 0.876 64.085 63.200 0.016 0.000 1.180 373 S HN 0.377 nan 8.310 nan 0.000 0.521 374 H N 1.340 120.546 119.070 0.226 0.000 2.887 374 H HA 0.456 5.012 4.556 0.000 0.000 0.300 374 H C -2.693 172.691 175.328 0.092 0.000 1.038 374 H CA -1.453 54.694 56.048 0.164 0.000 1.352 374 H CB 1.008 30.803 29.762 0.056 0.000 1.473 374 H HN 0.451 nan 8.280 nan 0.000 0.503 375 P HA 0.177 nan 4.420 nan 0.000 0.276 375 P C -2.600 174.764 177.300 0.107 0.000 1.261 375 P CA -1.770 61.424 63.100 0.158 0.000 0.800 375 P CB 0.348 32.125 31.700 0.129 0.000 1.066 376 P HA 0.246 nan 4.420 nan 0.000 0.274 376 P C -0.380 176.868 177.300 -0.088 0.000 1.237 376 P CA 0.220 63.285 63.100 -0.057 0.000 0.793 376 P CB 0.543 32.156 31.700 -0.146 0.000 0.977 377 I N 0.354 120.825 120.570 -0.165 0.000 2.441 377 I HA 0.566 4.736 4.170 0.000 0.000 0.295 377 I C 0.714 176.769 176.117 -0.103 0.000 0.994 377 I CA -0.356 60.893 61.300 -0.085 0.000 1.144 377 I CB 1.975 39.940 38.000 -0.059 0.000 1.314 377 I HN 0.333 nan 8.210 nan 0.000 0.445 378 G N 2.540 111.327 108.800 -0.021 0.000 2.590 378 G HA2 0.610 4.570 3.960 0.000 0.000 0.310 378 G HA3 0.610 4.570 3.960 0.000 0.000 0.310 378 G C -1.205 173.718 174.900 0.039 0.000 1.347 378 G CA -0.353 44.734 45.100 -0.021 0.000 0.963 378 G HN 0.465 nan 8.290 nan 0.000 0.494 379 T N -0.265 114.303 114.554 0.023 0.000 2.933 379 T HA 0.657 5.007 4.350 0.000 0.000 0.305 379 T C -1.639 173.023 174.700 -0.063 0.000 1.092 379 T CA -0.527 61.583 62.100 0.017 0.000 1.008 379 T CB 1.912 70.848 68.868 0.114 0.000 1.102 379 T HN 1.176 nan 8.240 nan 0.000 0.469 380 V N 4.201 124.040 119.914 -0.124 0.000 2.817 380 V HA 0.796 4.916 4.120 0.000 0.000 0.303 380 V C 0.243 176.274 176.094 -0.105 0.000 1.151 380 V CA 1.095 63.340 62.300 -0.091 0.000 0.929 380 V CB 0.974 32.770 31.823 -0.045 0.000 1.030 380 V HN 1.794 nan 8.190 nan 0.000 0.427 381 G N 5.052 113.824 108.800 -0.046 0.000 2.568 381 G HA2 -0.123 3.837 3.960 0.000 0.000 0.222 381 G HA3 -0.123 3.837 3.960 0.000 0.000 0.222 381 G C -0.732 174.195 174.900 0.046 0.000 1.321 381 G CA -0.270 44.824 45.100 -0.010 0.000 0.893 381 G HN 1.250 nan 8.290 nan 0.000 0.569 382 L N 1.604 122.878 121.223 0.085 0.000 2.397 382 L HA 0.483 4.823 4.340 0.000 0.000 0.271 382 L C 1.775 178.785 176.870 0.234 0.000 1.148 382 L CA -0.069 54.848 54.840 0.128 0.000 0.825 382 L CB 0.988 43.132 42.059 0.142 0.000 1.117 382 L HN 1.028 nan 8.230 nan 0.000 0.456 383 T N -2.114 112.509 114.554 0.115 0.000 2.788 383 T HA 0.042 4.392 4.350 0.000 0.000 0.287 383 T C 0.957 175.680 174.700 0.039 0.000 1.007 383 T CA -0.498 61.588 62.100 -0.023 0.000 1.005 383 T CB 1.241 70.023 68.868 -0.143 0.000 1.012 383 T HN 0.763 nan 8.240 nan 0.000 0.530 384 E N 0.242 120.434 120.200 -0.014 0.000 2.085 384 E HA -0.230 4.120 4.350 0.000 0.000 0.194 384 E C 1.342 177.962 176.600 0.033 0.000 0.994 384 E CA 1.671 58.085 56.400 0.023 0.000 0.801 384 E CB -0.123 29.574 29.700 -0.005 0.000 0.743 384 E HN 0.686 nan 8.360 nan 0.000 0.453 385 D N 0.319 120.726 120.400 0.011 0.000 2.117 385 D HA -0.137 4.503 4.640 0.000 0.000 0.198 385 D C 1.752 178.087 176.300 0.057 0.000 0.982 385 D CA 0.979 54.994 54.000 0.025 0.000 0.828 385 D CB -0.147 40.651 40.800 -0.003 0.000 0.967 385 D HN 0.355 nan 8.370 nan 0.000 0.464 386 E N 0.711 120.939 120.200 0.047 0.000 2.110 386 E HA -0.101 4.249 4.350 0.000 0.000 0.193 386 E C 2.050 178.734 176.600 0.139 0.000 0.988 386 E CA 0.950 57.394 56.400 0.072 0.000 0.804 386 E CB 0.006 29.731 29.700 0.042 0.000 0.745 386 E HN 0.173 nan 8.360 nan 0.000 0.458 387 A N 0.802 123.720 122.820 0.164 0.000 1.968 387 A HA -0.091 4.229 4.320 0.000 0.000 0.217 387 A C 2.107 179.849 177.584 0.264 0.000 1.169 387 A CA 0.698 52.906 52.037 0.286 0.000 0.638 387 A CB -0.343 18.793 19.000 0.228 0.000 0.812 387 A HN 0.124 nan 8.150 nan 0.000 0.446 388 I N -1.140 119.525 120.570 0.158 0.000 2.252 388 I HA -0.234 3.936 4.170 0.000 0.000 0.245 388 I C 2.563 178.749 176.117 0.114 0.000 1.102 388 I CA 1.509 62.881 61.300 0.121 0.000 1.385 388 I CB -0.352 37.695 38.000 0.078 0.000 1.064 388 I HN 0.550 nan 8.210 nan 0.000 0.414 389 H N 1.531 120.613 119.070 0.020 0.000 2.423 389 H HA -0.183 4.373 4.556 0.000 0.000 0.297 389 H C 2.104 177.397 175.328 -0.057 0.000 1.075 389 H CA 1.707 57.747 56.048 -0.014 0.000 1.342 389 H CB 0.253 30.002 29.762 -0.022 0.000 1.395 389 H HN 0.265 nan 8.280 nan 0.000 0.530 390 K N -0.495 119.857 120.400 -0.079 0.000 2.098 390 K HA -0.087 4.233 4.320 0.000 0.000 0.203 390 K C 1.077 177.380 176.600 -0.496 0.000 1.051 390 K CA 1.098 57.179 56.287 -0.344 0.000 0.957 390 K CB 0.142 32.392 32.500 -0.415 0.000 0.738 390 K HN 0.215 nan 8.250 nan 0.000 0.447 391 Y N -0.689 119.587 120.300 -0.040 0.000 2.444 391 Y HA 0.345 4.895 4.550 0.000 0.000 0.252 391 Y C 0.440 176.315 175.900 -0.042 0.000 1.091 391 Y CA 0.055 58.133 58.100 -0.037 0.000 1.276 391 Y CB 1.517 39.967 38.460 -0.017 0.000 1.170 391 Y HN 0.173 nan 8.280 nan 0.000 0.517 392 G N 0.780 109.631 108.800 0.084 0.000 2.907 392 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 392 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 392 G C 0.370 175.303 174.900 0.055 0.000 1.115 392 G CA -0.381 44.743 45.100 0.041 0.000 0.760 392 G HN 0.070 nan 8.290 nan 0.000 0.620 393 I N 1.237 121.827 120.570 0.033 0.000 2.236 393 I HA -0.241 3.929 4.170 0.000 0.000 0.249 393 I C 2.795 178.919 176.117 0.011 0.000 1.102 393 I CA 2.554 63.867 61.300 0.022 0.000 1.365 393 I CB -0.525 37.483 38.000 0.012 0.000 1.051 393 I HN 0.927 nan 8.210 nan 0.000 0.420 394 E N 0.824 121.031 120.200 0.012 0.000 2.268 394 E HA -0.192 4.159 4.350 0.000 0.000 0.195 394 E C 0.882 177.482 176.600 0.000 0.000 0.995 394 E CA 0.967 57.369 56.400 0.003 0.000 0.836 394 E CB -0.323 29.379 29.700 0.004 0.000 0.763 394 E HN 0.548 nan 8.360 nan 0.000 0.491 395 N N 0.929 119.639 118.700 0.017 0.000 2.235 395 N HA 0.122 4.862 4.740 0.000 0.000 0.209 395 N C -0.734 174.751 175.510 -0.041 0.000 1.122 395 N CA 0.072 53.124 53.050 0.003 0.000 0.845 395 N CB 1.666 40.182 38.487 0.048 0.000 1.004 395 N HN -0.022 nan 8.380 nan 0.000 0.499 396 V N 1.113 121.009 119.914 -0.031 0.000 2.487 396 V HA 0.318 4.438 4.120 0.000 0.000 0.298 396 V C -0.143 175.906 176.094 -0.076 0.000 1.028 396 V CA -0.796 61.472 62.300 -0.054 0.000 0.860 396 V CB 2.278 34.100 31.823 -0.002 0.000 0.991 396 V HN -0.009 nan 8.190 nan 0.000 0.427 397 K N 3.175 123.511 120.400 -0.106 0.000 2.397 397 K HA 0.757 5.077 4.320 0.000 0.000 0.253 397 K C -0.355 176.121 176.600 -0.206 0.000 0.932 397 K CA -0.265 55.916 56.287 -0.176 0.000 0.795 397 K CB 2.034 34.425 32.500 -0.181 0.000 1.159 397 K HN 0.842 nan 8.250 nan 0.000 0.424 398 T N 0.112 114.498 114.554 -0.280 0.000 2.932 398 T HA 0.544 4.894 4.350 0.000 0.000 0.289 398 T C -0.970 173.471 174.700 -0.431 0.000 1.039 398 T CA -0.588 61.388 62.100 -0.207 0.000 1.024 398 T CB 0.678 69.499 68.868 -0.080 0.000 1.090 398 T HN 0.399 nan 8.240 nan 0.000 0.496 399 Y N 0.531 120.806 120.300 -0.042 0.000 2.477 399 Y HA 0.656 5.206 4.550 0.000 0.000 0.347 399 Y C 0.423 176.312 175.900 -0.018 0.000 0.981 399 Y CA -0.541 57.537 58.100 -0.036 0.000 1.033 399 Y CB 2.624 41.046 38.460 -0.064 0.000 1.245 399 Y HN 1.156 nan 8.280 nan 0.000 0.455 400 S N 0.619 116.409 115.700 0.150 0.000 2.596 400 S HA 0.863 5.333 4.470 0.000 0.000 0.270 400 S C -1.089 173.583 174.600 0.120 0.000 1.155 400 S CA -0.731 57.536 58.200 0.112 0.000 0.827 400 S CB 2.344 65.591 63.200 0.078 0.000 1.130 400 S HN 0.655 nan 8.310 nan 0.000 0.467 401 T N -0.017 114.618 114.554 0.136 0.000 2.868 401 T HA 0.756 5.107 4.350 0.000 0.000 0.306 401 T C -1.719 173.102 174.700 0.202 0.000 1.224 401 T CA -0.335 61.872 62.100 0.179 0.000 1.012 401 T CB 1.771 70.765 68.868 0.211 0.000 1.221 401 T HN 1.089 nan 8.240 nan 0.000 0.499 402 S N 2.057 117.894 115.700 0.229 0.000 2.619 402 S HA 0.845 5.315 4.470 0.000 0.000 0.280 402 S C -1.593 173.165 174.600 0.263 0.000 1.150 402 S CA -0.680 57.611 58.200 0.152 0.000 0.978 402 S CB 0.283 63.531 63.200 0.080 0.000 1.041 402 S HN 0.712 nan 8.310 nan 0.000 0.485 403 F N 0.114 120.107 119.950 0.071 0.000 2.741 403 F HA 0.671 5.198 4.527 0.000 0.000 0.313 403 F C -0.810 175.051 175.800 0.102 0.000 1.153 403 F CA -0.930 57.118 58.000 0.080 0.000 0.931 403 F CB 0.952 40.002 39.000 0.083 0.000 1.335 403 F HN 0.255 nan 8.300 nan 0.000 0.460 404 T N 3.077 117.789 114.554 0.262 0.000 2.738 404 T HA 0.448 4.798 4.350 0.000 0.000 0.298 404 T C -2.668 172.259 174.700 0.379 0.000 0.962 404 T CA -1.096 61.130 62.100 0.210 0.000 0.972 404 T CB 0.653 69.630 68.868 0.182 0.000 0.928 404 T HN 0.330 nan 8.240 nan 0.000 0.474 405 P HA 0.032 nan 4.420 nan 0.000 0.264 405 P C 1.090 178.590 177.300 0.333 0.000 1.183 405 P CA -0.145 63.200 63.100 0.407 0.000 0.763 405 P CB 0.460 32.346 31.700 0.310 0.000 0.807 406 M N 3.826 123.590 119.600 0.274 0.000 2.192 406 M HA -0.301 4.179 4.480 0.000 0.000 0.256 406 M C 1.713 178.103 176.300 0.150 0.000 1.076 406 M CA 1.884 57.291 55.300 0.177 0.000 1.075 406 M CB -0.709 31.964 32.600 0.122 0.000 1.368 406 M HN 0.382 nan 8.290 nan 0.000 0.406 407 Y N 0.157 120.492 120.300 0.058 0.000 2.241 407 Y HA -0.295 4.255 4.550 0.000 0.000 0.286 407 Y C 1.659 177.568 175.900 0.016 0.000 1.166 407 Y CA 2.112 60.213 58.100 0.001 0.000 1.203 407 Y CB -0.335 38.031 38.460 -0.156 0.000 0.977 407 Y HN 0.402 nan 8.280 nan 0.000 0.529 408 H N -0.706 118.424 119.070 0.100 0.000 2.517 408 H HA 0.372 4.928 4.556 0.000 0.000 0.282 408 H C 2.018 177.326 175.328 -0.033 0.000 1.023 408 H CA 0.476 56.532 56.048 0.013 0.000 1.169 408 H CB -0.035 29.821 29.762 0.157 0.000 1.454 408 H HN 0.491 nan 8.280 nan 0.000 0.556 409 A N 1.060 123.913 122.820 0.054 0.000 2.070 409 A HA -0.085 4.235 4.320 0.000 0.000 0.220 409 A C 2.079 179.623 177.584 -0.065 0.000 1.159 409 A CA 1.690 53.737 52.037 0.016 0.000 0.656 409 A CB -0.334 18.674 19.000 0.014 0.000 0.800 409 A HN 0.274 nan 8.150 nan 0.000 0.453 410 V N -3.160 116.647 119.914 -0.178 0.000 3.380 410 V HA 0.264 4.384 4.120 0.000 0.000 0.307 410 V C 0.454 176.384 176.094 -0.273 0.000 1.434 410 V CA 0.501 62.638 62.300 -0.272 0.000 1.075 410 V CB -0.773 30.773 31.823 -0.462 0.000 0.954 410 V HN 0.466 nan 8.190 nan 0.000 0.444 411 T N -2.678 111.790 114.554 -0.143 0.000 2.925 411 T HA 0.513 4.863 4.350 0.000 0.000 0.285 411 T C 0.469 175.181 174.700 0.021 0.000 1.021 411 T CA -0.494 61.586 62.100 -0.033 0.000 1.042 411 T CB 2.373 71.321 68.868 0.134 0.000 1.037 411 T HN 0.193 nan 8.240 nan 0.000 0.481 412 K N -0.188 120.232 120.400 0.033 0.000 2.243 412 K HA 0.114 4.434 4.320 0.000 0.000 0.201 412 K C 1.276 177.889 176.600 0.022 0.000 1.051 412 K CA 0.181 56.480 56.287 0.019 0.000 0.970 412 K CB 0.187 32.697 32.500 0.017 0.000 0.755 412 K HN 0.470 nan 8.250 nan 0.000 0.465 413 R N 1.782 122.321 120.500 0.064 0.000 2.441 413 R HA 0.080 4.420 4.340 0.000 0.000 0.284 413 R C -0.738 175.515 176.300 -0.079 0.000 1.070 413 R CA 0.042 56.167 56.100 0.041 0.000 1.047 413 R CB 0.538 30.922 30.300 0.139 0.000 1.016 413 R HN -0.191 nan 8.270 nan 0.000 0.477 414 K N 2.211 122.480 120.400 -0.217 0.000 2.435 414 K HA 0.379 4.699 4.320 0.000 0.000 0.251 414 K C -0.864 175.485 176.600 -0.419 0.000 0.954 414 K CA -0.750 55.241 56.287 -0.493 0.000 0.820 414 K CB 2.281 34.647 32.500 -0.224 0.000 1.292 414 K HN 0.862 nan 8.250 nan 0.000 0.436 415 T N -1.982 112.271 114.554 -0.502 0.000 2.883 415 T HA 0.527 4.877 4.350 0.000 0.000 0.301 415 T C -0.594 174.096 174.700 -0.016 0.000 1.158 415 T CA -0.886 61.157 62.100 -0.096 0.000 1.007 415 T CB 2.616 71.562 68.868 0.130 0.000 1.186 415 T HN 0.442 nan 8.240 nan 0.000 0.499 416 K N -0.306 120.084 120.400 -0.016 0.000 2.211 416 K HA 0.714 5.034 4.320 0.000 0.000 0.237 416 K C -1.257 175.259 176.600 -0.140 0.000 1.002 416 K CA -0.966 55.280 56.287 -0.068 0.000 0.885 416 K CB 1.902 34.365 32.500 -0.063 0.000 1.136 416 K HN 0.816 nan 8.250 nan 0.000 0.448 417 C N 2.871 121.952 119.300 -0.365 0.000 2.340 417 C HA 0.678 5.138 4.460 0.000 0.000 0.323 417 C C -1.049 173.713 174.990 -0.381 0.000 1.260 417 C CA -0.453 58.275 59.018 -0.484 0.000 1.464 417 C CB -0.132 27.015 27.740 -0.989 0.000 2.156 417 C HN 0.494 nan 8.230 nan 0.000 0.476 418 V N 5.050 124.878 119.914 -0.142 0.000 2.604 418 V HA 0.784 4.905 4.120 0.000 0.000 0.305 418 V C -0.620 175.495 176.094 0.035 0.000 1.043 418 V CA -0.648 61.634 62.300 -0.030 0.000 0.888 418 V CB 1.646 33.468 31.823 -0.001 0.000 0.995 418 V HN 0.946 nan 8.190 nan 0.000 0.429 419 M N 3.901 123.554 119.600 0.089 0.000 2.446 419 M HA 0.640 5.120 4.480 0.000 0.000 0.294 419 M C -0.954 175.399 176.300 0.088 0.000 1.158 419 M CA -0.510 54.845 55.300 0.092 0.000 0.899 419 M CB 2.796 35.466 32.600 0.117 0.000 1.687 419 M HN 0.874 nan 8.290 nan 0.000 0.455 420 K N 3.132 123.582 120.400 0.083 0.000 2.482 420 K HA 0.661 4.981 4.320 0.000 0.000 0.251 420 K C -1.855 174.775 176.600 0.050 0.000 0.936 420 K CA -0.529 55.816 56.287 0.097 0.000 0.791 420 K CB 2.325 34.916 32.500 0.153 0.000 1.213 420 K HN 0.839 nan 8.250 nan 0.000 0.428 421 M N 5.369 124.990 119.600 0.035 0.000 2.227 421 M HA 0.362 4.842 4.480 0.000 0.000 0.335 421 M C -1.518 174.798 176.300 0.027 0.000 1.053 421 M CA -0.879 54.397 55.300 -0.040 0.000 0.973 421 M CB 1.527 34.059 32.600 -0.114 0.000 1.623 421 M HN 0.398 nan 8.290 nan 0.000 0.434 422 V N 5.188 125.096 119.914 -0.010 0.000 2.350 422 V HA 0.357 4.478 4.120 0.000 0.000 0.276 422 V C -0.381 175.686 176.094 -0.045 0.000 1.028 422 V CA -0.589 61.716 62.300 0.008 0.000 0.860 422 V CB 0.747 32.612 31.823 0.070 0.000 0.990 422 V HN 0.960 nan 8.190 nan 0.000 0.453 423 C N 4.041 123.315 119.300 -0.044 0.000 2.397 423 C HA 0.954 5.414 4.460 0.000 0.000 0.343 423 C C 0.609 175.497 174.990 -0.170 0.000 1.188 423 C CA -0.568 58.400 59.018 -0.084 0.000 1.992 423 C CB 1.208 28.950 27.740 0.004 0.000 2.358 423 C HN 0.988 nan 8.230 nan 0.000 0.518 424 A N 2.654 125.314 122.820 -0.268 0.000 2.435 424 A HA 0.839 5.160 4.320 0.000 0.000 0.304 424 A C -0.393 177.009 177.584 -0.303 0.000 1.064 424 A CA -0.389 51.370 52.037 -0.463 0.000 0.727 424 A CB 0.499 18.808 19.000 -1.152 0.000 1.284 424 A HN 1.154 nan 8.150 nan 0.000 0.415 425 N N -0.109 118.454 118.700 -0.229 0.000 6.481 425 N HA -0.204 4.536 4.740 0.000 0.000 0.407 425 N C 0.794 176.264 175.510 -0.067 0.000 0.969 425 N CA 0.782 53.768 53.050 -0.107 0.000 1.867 425 N CB -0.113 38.325 38.487 -0.081 0.000 0.742 425 N HN 0.846 nan 8.380 nan 0.000 0.489 426 K N 1.424 121.804 120.400 -0.033 0.000 2.148 426 K HA -0.164 4.156 4.320 0.000 0.000 0.204 426 K C 1.192 177.784 176.600 -0.012 0.000 1.050 426 K CA 1.900 58.176 56.287 -0.017 0.000 0.942 426 K CB -0.072 32.423 32.500 -0.007 0.000 0.724 426 K HN 0.610 nan 8.250 nan 0.000 0.446 427 E N 1.116 121.306 120.200 -0.018 0.000 2.268 427 E HA -0.168 4.182 4.350 0.000 0.000 0.195 427 E C -0.307 176.281 176.600 -0.019 0.000 0.995 427 E CA 0.594 56.987 56.400 -0.013 0.000 0.836 427 E CB -0.441 29.252 29.700 -0.013 0.000 0.763 427 E HN 0.397 nan 8.360 nan 0.000 0.491 428 E N 1.053 121.231 120.200 -0.035 0.000 2.257 428 E HA -0.183 4.167 4.350 0.000 0.000 0.217 428 E C -0.407 176.157 176.600 -0.061 0.000 1.248 428 E CA 0.486 56.863 56.400 -0.037 0.000 0.691 428 E CB -1.387 28.320 29.700 0.010 0.000 1.185 428 E HN 0.261 nan 8.360 nan 0.000 0.377 429 K N 0.687 121.036 120.400 -0.085 0.000 2.401 429 K HA 0.184 4.504 4.320 0.000 0.000 0.278 429 K C -0.004 176.536 176.600 -0.099 0.000 1.018 429 K CA -0.271 55.972 56.287 -0.073 0.000 0.981 429 K CB 0.805 33.257 32.500 -0.081 0.000 0.933 429 K HN 0.014 nan 8.250 nan 0.000 0.477 430 V N 6.728 126.591 119.914 -0.085 0.000 2.397 430 V HA -0.017 4.103 4.120 0.000 0.000 0.262 430 V C 0.985 177.036 176.094 -0.072 0.000 1.047 430 V CA -0.070 62.149 62.300 -0.134 0.000 1.003 430 V CB 0.528 32.214 31.823 -0.229 0.000 1.037 430 V HN 0.778 nan 8.190 nan 0.000 0.480 431 V N 1.958 121.828 119.914 -0.074 0.000 3.643 431 V HA 0.688 4.808 4.120 0.000 0.000 0.280 431 V C 0.743 176.831 176.094 -0.010 0.000 1.351 431 V CA 0.644 62.936 62.300 -0.014 0.000 1.073 431 V CB 0.155 31.994 31.823 0.026 0.000 0.863 431 V HN 0.834 nan 8.190 nan 0.000 0.436 432 G N 0.129 108.887 108.800 -0.071 0.000 2.752 432 G HA2 0.661 4.621 3.960 0.000 0.000 0.298 432 G HA3 0.661 4.621 3.960 0.000 0.000 0.298 432 G C -1.649 173.042 174.900 -0.347 0.000 1.434 432 G CA -0.612 44.393 45.100 -0.159 0.000 1.004 432 G HN 0.169 nan 8.290 nan 0.000 0.560 433 I N 2.322 122.545 120.570 -0.577 0.000 2.498 433 I HA 0.477 4.647 4.170 0.000 0.000 0.290 433 I C -0.947 174.715 176.117 -0.757 0.000 1.032 433 I CA -0.922 60.071 61.300 -0.513 0.000 1.073 433 I CB 2.449 40.295 38.000 -0.255 0.000 1.251 433 I HN 0.434 nan 8.210 nan 0.000 0.426 434 H N 7.734 126.795 119.070 -0.015 0.000 2.759 434 H HA 0.692 5.248 4.556 0.000 0.000 0.354 434 H C -0.974 174.363 175.328 0.016 0.000 1.074 434 H CA -0.750 55.306 56.048 0.014 0.000 1.226 434 H CB 2.180 31.959 29.762 0.028 0.000 1.648 434 H HN 0.567 nan 8.280 nan 0.000 0.529 435 M N 1.050 120.723 119.600 0.121 0.000 2.578 435 M HA 0.502 4.982 4.480 0.000 0.000 0.276 435 M C -1.631 174.703 176.300 0.057 0.000 1.245 435 M CA -0.951 54.395 55.300 0.075 0.000 0.871 435 M CB 3.631 36.262 32.600 0.051 0.000 1.722 435 M HN 0.443 nan 8.290 nan 0.000 0.473 436 Q N 0.649 120.467 119.800 0.030 0.000 2.289 436 Q HA 0.792 5.132 4.340 0.000 0.000 0.270 436 Q C -1.308 174.691 176.000 -0.002 0.000 1.038 436 Q CA -0.228 55.583 55.803 0.012 0.000 0.812 436 Q CB 2.807 31.548 28.738 0.004 0.000 1.300 436 Q HN 1.224 nan 8.270 nan 0.000 0.427 437 G N 1.851 110.664 108.800 0.021 0.000 2.339 437 G HA2 0.158 4.119 3.960 0.000 0.000 0.302 437 G HA3 0.158 4.119 3.960 0.000 0.000 0.302 437 G C -1.563 173.389 174.900 0.087 0.000 1.425 437 G CA -1.111 44.005 45.100 0.027 0.000 0.899 437 G HN 0.615 nan 8.290 nan 0.000 0.619 438 L N 1.197 122.489 121.223 0.114 0.000 2.601 438 L HA 0.310 4.650 4.340 0.000 0.000 0.277 438 L C 1.813 178.767 176.870 0.139 0.000 1.219 438 L CA 1.837 56.762 54.840 0.142 0.000 0.915 438 L CB 0.418 42.548 42.059 0.118 0.000 1.160 438 L HN 2.013 nan 8.230 nan 0.000 0.494 439 G N 1.540 110.433 108.800 0.156 0.000 2.225 439 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 439 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 439 G C 0.886 175.863 174.900 0.128 0.000 0.988 439 G CA 0.205 45.391 45.100 0.143 0.000 0.625 439 G HN 0.715 nan 8.290 nan 0.000 0.527 440 C N 2.130 121.496 119.300 0.109 0.000 2.419 440 C HA 0.027 4.487 4.460 0.000 0.000 0.283 440 C C 2.693 177.697 174.990 0.023 0.000 1.373 440 C CA 1.432 60.495 59.018 0.074 0.000 1.781 440 C CB -0.803 26.965 27.740 0.047 0.000 1.886 440 C HN 0.778 nan 8.230 nan 0.000 0.520 441 D N 1.004 121.404 120.400 -0.001 0.000 2.144 441 D HA -0.142 4.498 4.640 0.000 0.000 0.200 441 D C 1.556 177.867 176.300 0.019 0.000 0.978 441 D CA 1.277 55.229 54.000 -0.081 0.000 0.833 441 D CB -0.584 40.173 40.800 -0.072 0.000 0.961 441 D HN 0.449 nan 8.370 nan 0.000 0.470 442 E N -0.534 119.711 120.200 0.074 0.000 2.452 442 E HA 0.108 4.458 4.350 0.000 0.000 0.197 442 E C 1.889 178.522 176.600 0.056 0.000 1.022 442 E CA -0.133 56.309 56.400 0.070 0.000 0.890 442 E CB 0.233 29.981 29.700 0.080 0.000 0.918 442 E HN 0.383 nan 8.360 nan 0.000 0.496 443 M N 0.273 119.924 119.600 0.086 0.000 2.334 443 M HA -0.031 4.449 4.480 0.000 0.000 0.266 443 M C 1.981 178.383 176.300 0.170 0.000 1.082 443 M CA 0.454 55.833 55.300 0.131 0.000 1.141 443 M CB 0.184 32.915 32.600 0.218 0.000 1.380 443 M HN 0.092 nan 8.290 nan 0.000 0.440 444 L N 0.871 122.180 121.223 0.144 0.000 2.017 444 L HA -0.233 4.108 4.340 0.000 0.000 0.208 444 L C 2.289 179.223 176.870 0.106 0.000 1.073 444 L CA 2.024 56.960 54.840 0.160 0.000 0.745 444 L CB -0.822 41.278 42.059 0.068 0.000 0.894 444 L HN 0.350 nan 8.230 nan 0.000 0.432 445 Q N -0.374 119.444 119.800 0.030 0.000 2.047 445 Q HA -0.216 4.124 4.340 0.000 0.000 0.211 445 Q C 2.083 178.060 176.000 -0.038 0.000 1.005 445 Q CA 2.610 58.409 55.803 -0.006 0.000 0.866 445 Q CB -1.072 27.656 28.738 -0.017 0.000 0.938 445 Q HN 0.562 nan 8.270 nan 0.000 0.414 446 G N -1.572 107.154 108.800 -0.123 0.000 2.422 446 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 446 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 446 G C 0.960 175.744 174.900 -0.193 0.000 1.140 446 G CA 0.665 45.642 45.100 -0.204 0.000 0.775 446 G HN 0.383 nan 8.290 nan 0.000 0.545 447 F N 1.622 121.552 119.950 -0.033 0.000 2.293 447 F HA 0.167 4.694 4.527 0.000 0.000 0.300 447 F C 2.877 178.695 175.800 0.029 0.000 1.086 447 F CA 0.535 58.530 58.000 -0.007 0.000 1.375 447 F CB -0.226 38.828 39.000 0.090 0.000 1.045 447 F HN 0.223 nan 8.300 nan 0.000 0.516 448 A N -0.090 122.825 122.820 0.158 0.000 1.969 448 A HA -0.080 4.240 4.320 0.000 0.000 0.218 448 A C 2.336 179.950 177.584 0.050 0.000 1.169 448 A CA 1.583 53.673 52.037 0.088 0.000 0.635 448 A CB -1.097 17.928 19.000 0.041 0.000 0.810 448 A HN 0.174 nan 8.150 nan 0.000 0.445 449 V N -0.086 119.837 119.914 0.015 0.000 2.295 449 V HA -0.256 3.864 4.120 0.000 0.000 0.246 449 V C 3.055 179.154 176.094 0.009 0.000 1.049 449 V CA 1.969 64.263 62.300 -0.009 0.000 1.024 449 V CB -1.308 30.488 31.823 -0.045 0.000 0.648 449 V HN 0.596 nan 8.190 nan 0.000 0.447 450 A N -0.334 122.496 122.820 0.016 0.000 1.902 450 A HA -0.155 4.165 4.320 0.000 0.000 0.217 450 A C 2.403 180.062 177.584 0.124 0.000 1.181 450 A CA 2.061 54.120 52.037 0.038 0.000 0.623 450 A CB -0.690 18.287 19.000 -0.037 0.000 0.818 450 A HN 0.327 nan 8.150 nan 0.000 0.443 451 V N 0.071 120.082 119.914 0.161 0.000 2.358 451 V HA -0.230 3.890 4.120 0.000 0.000 0.246 451 V C 2.569 178.709 176.094 0.077 0.000 1.047 451 V CA 2.419 64.804 62.300 0.141 0.000 1.035 451 V CB -0.566 31.327 31.823 0.116 0.000 0.658 451 V HN 0.623 nan 8.190 nan 0.000 0.452 452 K N 0.126 120.557 120.400 0.052 0.000 2.103 452 K HA -0.120 4.200 4.320 0.000 0.000 0.207 452 K C 1.921 178.537 176.600 0.026 0.000 1.048 452 K CA 1.822 58.125 56.287 0.027 0.000 0.930 452 K CB -0.348 32.157 32.500 0.009 0.000 0.716 452 K HN 0.394 nan 8.250 nan 0.000 0.444 453 M N -1.055 118.563 119.600 0.031 0.000 2.619 453 M HA 0.094 4.574 4.480 0.000 0.000 0.251 453 M C 0.541 176.862 176.300 0.036 0.000 1.106 453 M CA 0.904 56.218 55.300 0.025 0.000 1.086 453 M CB 0.327 32.937 32.600 0.016 0.000 1.465 453 M HN 0.420 nan 8.290 nan 0.000 0.506 454 G N 1.282 110.114 108.800 0.053 0.000 2.255 454 G HA2 -0.123 3.837 3.960 0.000 0.000 0.239 454 G HA3 -0.123 3.837 3.960 0.000 0.000 0.239 454 G C 0.023 174.965 174.900 0.071 0.000 1.083 454 G CA -0.064 45.069 45.100 0.055 0.000 0.826 454 G HN 0.678 nan 8.290 nan 0.000 0.493 455 A N -0.138 122.752 122.820 0.117 0.000 2.406 455 A HA 0.832 5.152 4.320 0.000 0.000 0.243 455 A C 1.094 178.762 177.584 0.139 0.000 1.082 455 A CA 1.160 53.295 52.037 0.164 0.000 0.786 455 A CB 0.401 19.589 19.000 0.312 0.000 1.029 455 A HN 1.953 nan 8.150 nan 0.000 0.495 456 T N -1.492 113.138 114.554 0.126 0.000 2.919 456 T HA 0.459 4.809 4.350 0.000 0.000 0.282 456 T C 0.868 175.607 174.700 0.066 0.000 1.020 456 T CA -0.113 62.018 62.100 0.053 0.000 0.994 456 T CB 1.129 70.015 68.868 0.029 0.000 1.180 456 T HN 0.581 nan 8.240 nan 0.000 0.566 457 K N 0.233 120.608 120.400 -0.042 0.000 2.148 457 K HA 0.126 4.446 4.320 0.000 0.000 0.204 457 K C 2.267 178.871 176.600 0.007 0.000 1.050 457 K CA 1.494 57.712 56.287 -0.114 0.000 0.942 457 K CB -0.965 31.408 32.500 -0.212 0.000 0.724 457 K HN 0.672 nan 8.250 nan 0.000 0.446 458 A N 0.961 123.797 122.820 0.026 0.000 1.969 458 A HA -0.158 4.162 4.320 0.000 0.000 0.218 458 A C 1.625 179.258 177.584 0.081 0.000 1.169 458 A CA 1.816 53.876 52.037 0.037 0.000 0.635 458 A CB -0.500 18.513 19.000 0.022 0.000 0.810 458 A HN 0.413 nan 8.150 nan 0.000 0.445 459 D N -0.848 119.631 120.400 0.132 0.000 2.117 459 D HA -0.109 4.531 4.640 0.000 0.000 0.198 459 D C 1.569 177.954 176.300 0.142 0.000 0.982 459 D CA 1.086 55.160 54.000 0.125 0.000 0.828 459 D CB -0.316 40.565 40.800 0.135 0.000 0.967 459 D HN 0.440 nan 8.370 nan 0.000 0.464 460 F N 1.807 121.756 119.950 -0.002 0.000 2.102 460 F HA -0.125 4.402 4.527 0.000 0.000 0.298 460 F C 2.199 177.995 175.800 -0.007 0.000 1.105 460 F CA 0.963 58.972 58.000 0.014 0.000 1.239 460 F CB -0.440 38.547 39.000 -0.020 0.000 0.991 460 F HN -0.142 nan 8.300 nan 0.000 0.474 461 D N -0.496 120.006 120.400 0.171 0.000 2.218 461 D HA -0.131 4.509 4.640 0.000 0.000 0.204 461 D C 1.538 177.861 176.300 0.038 0.000 0.976 461 D CA 0.865 54.903 54.000 0.063 0.000 0.853 461 D CB -0.447 40.354 40.800 0.002 0.000 0.939 461 D HN 0.242 nan 8.370 nan 0.000 0.481 462 N N 0.015 118.739 118.700 0.040 0.000 2.398 462 N HA -0.014 4.726 4.740 0.000 0.000 0.188 462 N C -0.254 175.257 175.510 0.003 0.000 1.122 462 N CA 0.308 53.368 53.050 0.016 0.000 0.866 462 N CB 0.481 38.975 38.487 0.013 0.000 0.970 462 N HN 0.039 nan 8.380 nan 0.000 0.462 463 T N 0.980 115.535 114.554 0.003 0.000 2.767 463 T HA 0.266 4.616 4.350 0.000 0.000 0.288 463 T C 0.559 175.258 174.700 -0.002 0.000 0.963 463 T CA -0.436 61.654 62.100 -0.017 0.000 1.019 463 T CB 2.154 70.990 68.868 -0.053 0.000 0.923 463 T HN -0.251 nan 8.240 nan 0.000 0.468 464 V N 3.335 123.244 119.914 -0.008 0.000 2.673 464 V HA 0.319 4.439 4.120 0.000 0.000 0.303 464 V C 1.004 177.103 176.094 0.008 0.000 1.046 464 V CA -0.480 61.819 62.300 -0.001 0.000 1.126 464 V CB 0.273 32.093 31.823 -0.006 0.000 0.934 464 V HN 1.093 nan 8.190 nan 0.000 0.487 465 A N 6.068 128.899 122.820 0.019 0.000 2.346 465 A HA 0.641 4.961 4.320 0.000 0.000 0.252 465 A C -0.266 177.347 177.584 0.049 0.000 1.089 465 A CA -0.319 51.742 52.037 0.040 0.000 0.797 465 A CB 0.117 19.138 19.000 0.035 0.000 1.047 465 A HN 0.744 nan 8.150 nan 0.000 0.494 466 I N 0.983 121.595 120.570 0.070 0.000 2.355 466 I HA 0.291 4.461 4.170 0.000 0.000 0.288 466 I C -0.444 175.749 176.117 0.127 0.000 0.999 466 I CA -0.137 61.208 61.300 0.074 0.000 1.163 466 I CB 1.319 39.344 38.000 0.043 0.000 1.316 466 I HN 0.778 nan 8.210 nan 0.000 0.454 467 H N 7.389 126.465 119.070 0.009 0.000 2.538 467 H HA 0.640 5.196 4.556 0.000 0.000 0.353 467 H C -2.531 172.806 175.328 0.014 0.000 1.109 467 H CA -1.805 54.248 56.048 0.009 0.000 1.192 467 H CB 1.707 31.469 29.762 0.002 0.000 1.555 467 H HN 0.310 nan 8.280 nan 0.000 0.518 468 P HA 0.343 nan 4.420 nan 0.000 0.301 468 P C -1.252 175.963 177.300 -0.142 0.000 1.338 468 P CA -0.635 62.099 63.100 -0.609 0.000 0.834 468 P CB 1.605 32.906 31.700 -0.665 0.000 0.967 469 T N -2.291 112.261 114.554 -0.004 0.000 2.816 469 T HA 0.369 4.720 4.350 0.000 0.000 0.299 469 T C 0.726 175.495 174.700 0.114 0.000 1.230 469 T CA -0.504 61.633 62.100 0.061 0.000 1.007 469 T CB 1.096 70.008 68.868 0.074 0.000 1.289 469 T HN -0.017 nan 8.240 nan 0.000 0.508 470 S N 0.548 116.357 115.700 0.182 0.000 2.406 470 S HA -0.038 4.433 4.470 0.000 0.000 0.224 470 S C 2.357 177.105 174.600 0.248 0.000 1.030 470 S CA 1.231 59.609 58.200 0.296 0.000 0.958 470 S CB -0.570 62.863 63.200 0.389 0.000 0.811 470 S HN 0.942 nan 8.310 nan 0.000 0.489 471 S N 2.816 118.650 115.700 0.223 0.000 2.402 471 S HA -0.250 4.221 4.470 0.000 0.000 0.233 471 S C 1.744 176.495 174.600 0.251 0.000 1.030 471 S CA 1.494 59.859 58.200 0.276 0.000 1.003 471 S CB -0.761 62.601 63.200 0.269 0.000 0.813 471 S HN 0.807 nan 8.310 nan 0.000 0.477 472 E N 1.104 121.401 120.200 0.162 0.000 2.333 472 E HA -0.182 4.168 4.350 0.000 0.000 0.198 472 E C 1.523 178.166 176.600 0.071 0.000 1.007 472 E CA 1.096 57.569 56.400 0.121 0.000 0.845 472 E CB -0.316 29.443 29.700 0.097 0.000 0.766 472 E HN 0.480 nan 8.360 nan 0.000 0.507 473 E N 1.060 121.281 120.200 0.035 0.000 2.204 473 E HA -0.084 4.266 4.350 0.000 0.000 0.195 473 E C 2.114 178.725 176.600 0.019 0.000 0.990 473 E CA 0.590 56.973 56.400 -0.028 0.000 0.821 473 E CB -0.133 29.513 29.700 -0.091 0.000 0.750 473 E HN 0.443 nan 8.360 nan 0.000 0.477 474 L N 0.760 122.006 121.223 0.037 0.000 2.395 474 L HA -0.057 4.284 4.340 0.000 0.000 0.218 474 L C 2.031 178.946 176.870 0.075 0.000 1.130 474 L CA 0.598 55.415 54.840 -0.039 0.000 0.826 474 L CB 0.069 41.928 42.059 -0.333 0.000 0.941 474 L HN 0.039 nan 8.230 nan 0.000 0.451 475 V N -4.896 115.096 119.914 0.131 0.000 3.621 475 V HA 0.108 4.228 4.120 0.000 0.000 0.285 475 V C 1.248 177.379 176.094 0.062 0.000 1.346 475 V CA 0.732 63.131 62.300 0.165 0.000 1.104 475 V CB -0.167 31.762 31.823 0.177 0.000 0.913 475 V HN 0.421 nan 8.190 nan 0.000 0.432 476 T N -1.874 112.687 114.554 0.012 0.000 3.339 476 T HA 0.479 4.830 4.350 0.000 0.000 0.292 476 T C 0.078 174.749 174.700 -0.048 0.000 1.012 476 T CA -0.302 61.784 62.100 -0.023 0.000 0.937 476 T CB -0.401 68.450 68.868 -0.027 0.000 1.164 476 T HN 0.309 nan 8.240 nan 0.000 0.509 477 L N 1.750 122.925 121.223 -0.079 0.000 2.456 477 L HA 0.508 4.848 4.340 0.000 0.000 0.272 477 L C 0.841 177.629 176.870 -0.138 0.000 1.189 477 L CA -0.185 54.597 54.840 -0.096 0.000 0.846 477 L CB 0.497 42.466 42.059 -0.150 0.000 1.111 477 L HN 0.215 nan 8.230 nan 0.000 0.475 478 R N 0.000 120.495 120.500 -0.008 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.132 56.100 0.053 0.000 0.921 478 R CB 0.000 30.316 30.300 0.027 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535