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 1bwc_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 0.000 176.026 176.094 -0.113 0.000 1.182 18 V CA 0.000 62.227 62.300 -0.122 0.000 1.235 18 V CB 0.000 31.787 31.823 -0.059 0.000 1.184 19 A N 2.903 125.627 122.820 -0.160 0.000 2.316 19 A HA 0.878 5.198 4.320 -0.000 0.000 0.284 19 A C 0.231 177.781 177.584 -0.058 0.000 1.115 19 A CA -0.179 51.795 52.037 -0.106 0.000 0.812 19 A CB 1.270 20.247 19.000 -0.039 0.000 1.064 19 A HN 0.804 nan 8.150 nan 0.000 0.489 20 S N 0.081 115.647 115.700 -0.222 0.000 2.500 20 S HA 0.734 5.204 4.470 -0.000 0.000 0.301 20 S C -1.444 172.911 174.600 -0.408 0.000 1.092 20 S CA -0.197 57.909 58.200 -0.157 0.000 1.030 20 S CB 0.493 63.649 63.200 -0.073 0.000 1.031 20 S HN 0.512 nan 8.310 nan 0.000 0.483 21 Y N 0.521 120.893 120.300 0.119 0.000 2.634 21 Y HA 0.346 4.896 4.550 -0.000 0.000 0.340 21 Y C 0.964 176.956 175.900 0.154 0.000 1.058 21 Y CA -0.946 57.225 58.100 0.117 0.000 1.081 21 Y CB 0.904 39.430 38.460 0.109 0.000 1.295 21 Y HN 0.496 nan 8.280 nan 0.000 0.487 22 D N -0.156 120.443 120.400 0.332 0.000 2.183 22 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 22 D C -0.629 175.990 176.300 0.532 0.000 0.969 22 D CA 1.903 56.114 54.000 0.351 0.000 0.842 22 D CB 0.221 41.141 40.800 0.200 0.000 0.957 22 D HN 0.269 nan 8.370 nan 0.000 0.484 23 Y N 0.162 120.611 120.300 0.248 0.000 2.330 23 Y HA 0.396 4.946 4.550 -0.000 0.000 0.324 23 Y C -1.662 174.296 175.900 0.097 0.000 1.093 23 Y CA -1.463 56.772 58.100 0.226 0.000 1.103 23 Y CB 0.790 39.281 38.460 0.051 0.000 1.183 23 Y HN -0.277 nan 8.280 nan 0.000 0.433 24 L N 6.439 127.700 121.223 0.063 0.000 2.296 24 L HA 0.776 5.116 4.340 -0.000 0.000 0.286 24 L C -1.327 175.340 176.870 -0.338 0.000 1.023 24 L CA -0.595 54.151 54.840 -0.157 0.000 0.812 24 L CB 1.444 43.502 42.059 -0.002 0.000 1.223 24 L HN 0.399 nan 8.230 nan 0.000 0.421 25 V N 6.583 126.252 119.914 -0.409 0.000 2.409 25 V HA 0.425 4.545 4.120 -0.000 0.000 0.291 25 V C 0.047 175.985 176.094 -0.261 0.000 1.020 25 V CA -0.500 61.572 62.300 -0.379 0.000 0.848 25 V CB 1.611 33.186 31.823 -0.414 0.000 0.990 25 V HN 0.540 nan 8.190 nan 0.000 0.430 26 I N 4.756 125.211 120.570 -0.192 0.000 2.291 26 I HA 0.672 4.842 4.170 -0.000 0.000 0.290 26 I C 0.778 176.818 176.117 -0.129 0.000 1.050 26 I CA -0.012 61.180 61.300 -0.180 0.000 1.245 26 I CB 0.895 38.784 38.000 -0.185 0.000 1.405 26 I HN 0.861 nan 8.210 nan 0.000 0.478 27 G N 3.703 112.424 108.800 -0.133 0.000 3.444 27 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.685 27 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.685 27 G C -0.033 174.804 174.900 -0.105 0.000 1.145 27 G CA -0.546 44.499 45.100 -0.091 0.000 0.973 27 G HN 0.972 nan 8.290 nan 0.000 0.525 28 G N 0.836 109.576 108.800 -0.100 0.000 4.084 28 G HA2 0.664 4.624 3.960 -0.000 0.000 0.293 28 G HA3 0.664 4.624 3.960 -0.000 0.000 0.293 28 G C 0.881 175.697 174.900 -0.141 0.000 1.303 28 G CA 0.886 45.910 45.100 -0.126 0.000 1.289 28 G HN 1.227 nan 8.290 nan 0.000 0.609 29 G N 0.154 108.886 108.800 -0.113 0.000 2.695 29 G HA2 0.359 4.319 3.960 -0.000 0.000 0.213 29 G HA3 0.359 4.319 3.960 -0.000 0.000 0.213 29 G C 1.260 176.075 174.900 -0.142 0.000 1.406 29 G CA 0.414 45.441 45.100 -0.122 0.000 1.049 29 G HN 0.182 nan 8.290 nan 0.000 0.573 30 S N -0.162 115.478 115.700 -0.100 0.000 2.353 30 S HA -0.113 4.356 4.470 -0.000 0.000 0.222 30 S C 2.463 177.025 174.600 -0.064 0.000 1.035 30 S CA 1.726 59.873 58.200 -0.088 0.000 1.025 30 S CB -0.753 62.424 63.200 -0.038 0.000 0.902 30 S HN 0.748 nan 8.310 nan 0.000 0.440 31 G N 0.862 109.643 108.800 -0.032 0.000 2.402 31 G HA2 0.024 3.984 3.960 -0.000 0.000 0.216 31 G HA3 0.024 3.984 3.960 -0.000 0.000 0.216 31 G C 1.417 176.303 174.900 -0.023 0.000 1.162 31 G CA 0.890 45.985 45.100 -0.009 0.000 0.777 31 G HN 0.559 nan 8.290 nan 0.000 0.539 32 G N 0.985 109.753 108.800 -0.053 0.000 2.414 32 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 32 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 32 G C 1.806 176.648 174.900 -0.097 0.000 1.188 32 G CA 0.710 45.761 45.100 -0.082 0.000 0.783 32 G HN 0.398 nan 8.290 nan 0.000 0.537 33 L N 0.775 121.924 121.223 -0.124 0.000 2.083 33 L HA -0.053 4.286 4.340 -0.000 0.000 0.209 33 L C 3.419 180.242 176.870 -0.079 0.000 1.083 33 L CA 0.956 55.716 54.840 -0.134 0.000 0.752 33 L CB -0.487 41.428 42.059 -0.240 0.000 0.899 33 L HN 0.306 nan 8.230 nan 0.000 0.433 34 A N -1.003 121.781 122.820 -0.061 0.000 1.940 34 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 34 A C 2.555 180.140 177.584 0.002 0.000 1.176 34 A CA 2.340 54.364 52.037 -0.022 0.000 0.631 34 A CB -0.545 18.448 19.000 -0.012 0.000 0.814 34 A HN 0.349 nan 8.150 nan 0.000 0.446 35 S N -1.339 114.376 115.700 0.024 0.000 2.404 35 S HA 0.203 4.673 4.470 -0.000 0.000 0.223 35 S C 2.240 176.942 174.600 0.171 0.000 1.040 35 S CA 0.999 59.262 58.200 0.105 0.000 0.957 35 S CB -0.407 62.892 63.200 0.166 0.000 0.826 35 S HN 0.772 nan 8.310 nan 0.000 0.491 36 A N 2.403 125.269 122.820 0.076 0.000 1.903 36 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 36 A C 2.198 179.786 177.584 0.007 0.000 1.191 36 A CA 1.645 53.702 52.037 0.033 0.000 0.638 36 A CB -0.642 18.309 19.000 -0.081 0.000 0.823 36 A HN 0.534 nan 8.150 nan 0.000 0.451 37 R N -1.566 118.926 120.500 -0.014 0.000 2.070 37 R HA -0.120 4.219 4.340 -0.000 0.000 0.233 37 R C 2.490 178.764 176.300 -0.043 0.000 1.137 37 R CA 1.534 57.620 56.100 -0.024 0.000 0.945 37 R CB -0.357 29.936 30.300 -0.012 0.000 0.845 37 R HN 0.428 nan 8.270 nan 0.000 0.430 38 R N 1.217 121.685 120.500 -0.053 0.000 2.081 38 R HA -0.058 4.281 4.340 -0.000 0.000 0.235 38 R C 2.030 178.228 176.300 -0.169 0.000 1.131 38 R CA 1.866 57.896 56.100 -0.118 0.000 0.960 38 R CB -0.787 29.416 30.300 -0.162 0.000 0.856 38 R HN 0.257 nan 8.270 nan 0.000 0.436 39 A N 0.093 122.821 122.820 -0.154 0.000 1.902 39 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 39 A C 2.358 179.747 177.584 -0.326 0.000 1.181 39 A CA 1.863 53.704 52.037 -0.326 0.000 0.623 39 A CB -1.039 17.699 19.000 -0.437 0.000 0.818 39 A HN 0.469 nan 8.150 nan 0.000 0.443 40 A N -0.225 122.489 122.820 -0.176 0.000 1.877 40 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 40 A C 1.893 179.424 177.584 -0.088 0.000 1.186 40 A CA 1.661 53.627 52.037 -0.117 0.000 0.620 40 A CB -0.663 18.306 19.000 -0.052 0.000 0.822 40 A HN 0.618 nan 8.150 nan 0.000 0.443 41 E N -0.337 119.819 120.200 -0.073 0.000 2.114 41 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 41 E C 1.615 178.183 176.600 -0.054 0.000 1.008 41 E CA 1.477 57.848 56.400 -0.048 0.000 0.810 41 E CB -0.338 29.337 29.700 -0.041 0.000 0.739 41 E HN 0.644 nan 8.360 nan 0.000 0.456 42 L N -0.862 120.302 121.223 -0.098 0.000 2.599 42 L HA 0.100 4.440 4.340 -0.000 0.000 0.230 42 L C 1.320 178.146 176.870 -0.073 0.000 1.141 42 L CA 0.429 55.225 54.840 -0.074 0.000 0.877 42 L CB 0.207 42.210 42.059 -0.093 0.000 1.009 42 L HN 0.328 nan 8.230 nan 0.000 0.447 43 G N -0.337 108.399 108.800 -0.107 0.000 2.148 43 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.203 43 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.203 43 G C 0.256 175.085 174.900 -0.119 0.000 0.993 43 G CA -0.169 44.889 45.100 -0.072 0.000 0.661 43 G HN 0.429 nan 8.290 nan 0.000 0.518 44 A N -0.131 122.520 122.820 -0.283 0.000 2.304 44 A HA 0.788 5.108 4.320 -0.000 0.000 0.271 44 A C 0.644 178.126 177.584 -0.170 0.000 1.091 44 A CA -0.152 51.662 52.037 -0.370 0.000 0.812 44 A CB 0.496 18.864 19.000 -1.053 0.000 1.056 44 A HN 0.469 nan 8.150 nan 0.000 0.489 45 R N 0.707 121.178 120.500 -0.049 0.000 2.204 45 R HA 0.510 4.849 4.340 -0.000 0.000 0.341 45 R C -0.466 175.924 176.300 0.149 0.000 1.035 45 R CA 0.051 56.200 56.100 0.082 0.000 0.887 45 R CB 0.681 31.068 30.300 0.145 0.000 1.114 45 R HN 0.835 nan 8.270 nan 0.000 0.473 46 A N 2.602 125.458 122.820 0.060 0.000 2.355 46 A HA 0.841 5.161 4.320 -0.000 0.000 0.324 46 A C -1.200 176.236 177.584 -0.247 0.000 1.117 46 A CA -0.603 51.415 52.037 -0.031 0.000 0.785 46 A CB 1.834 20.823 19.000 -0.019 0.000 1.254 46 A HN 0.724 nan 8.150 nan 0.000 0.453 47 A N 0.930 123.459 122.820 -0.485 0.000 2.414 47 A HA 0.707 5.027 4.320 -0.000 0.000 0.306 47 A C -1.082 176.239 177.584 -0.438 0.000 1.054 47 A CA -0.469 51.194 52.037 -0.623 0.000 0.724 47 A CB 1.467 19.734 19.000 -1.222 0.000 1.267 47 A HN 1.193 nan 8.150 nan 0.000 0.418 48 V N 2.281 121.989 119.914 -0.344 0.000 2.417 48 V HA 0.425 4.544 4.120 -0.000 0.000 0.291 48 V C -0.250 175.677 176.094 -0.278 0.000 1.024 48 V CA -0.563 61.568 62.300 -0.282 0.000 0.861 48 V CB 1.514 33.213 31.823 -0.206 0.000 0.985 48 V HN 0.653 nan 8.190 nan 0.000 0.436 49 V N 3.876 123.624 119.914 -0.276 0.000 2.407 49 V HA 0.594 4.714 4.120 -0.000 0.000 0.278 49 V C -0.184 175.802 176.094 -0.180 0.000 1.037 49 V CA -0.368 61.780 62.300 -0.253 0.000 0.900 49 V CB 1.393 33.045 31.823 -0.284 0.000 0.983 49 V HN 0.961 nan 8.190 nan 0.000 0.459 50 E N 2.967 123.082 120.200 -0.142 0.000 2.263 50 E HA 0.417 4.766 4.350 -0.000 0.000 0.268 50 E C 0.448 176.998 176.600 -0.082 0.000 0.884 50 E CA -0.085 56.261 56.400 -0.091 0.000 0.766 50 E CB 2.152 31.808 29.700 -0.074 0.000 1.196 50 E HN 0.569 nan 8.360 nan 0.000 0.416 51 S N 3.648 119.312 115.700 -0.061 0.000 2.503 51 S HA 0.143 4.613 4.470 -0.000 0.000 0.217 51 S C 0.771 175.108 174.600 -0.438 0.000 0.999 51 S CA 0.326 58.420 58.200 -0.177 0.000 0.914 51 S CB -0.143 63.002 63.200 -0.093 0.000 0.782 51 S HN 0.602 nan 8.310 nan 0.000 0.520 52 H N 0.843 119.915 119.070 0.004 0.000 5.278 52 H HA 0.539 5.095 4.556 -0.000 0.000 0.119 52 H C -0.601 174.725 175.328 -0.003 0.000 1.321 52 H CA -0.572 55.480 56.048 0.008 0.000 0.304 52 H CB 0.027 29.799 29.762 0.017 0.000 1.670 52 H HN 0.114 nan 8.280 nan 0.000 0.192 53 K N 1.123 121.614 120.400 0.151 0.000 2.259 53 K HA 0.402 4.722 4.320 -0.000 0.000 0.249 53 K C -0.627 175.992 176.600 0.032 0.000 0.942 53 K CA -0.501 55.825 56.287 0.065 0.000 0.816 53 K CB 2.092 34.627 32.500 0.059 0.000 1.155 53 K HN 0.122 nan 8.250 nan 0.000 0.428 54 L N 1.414 122.646 121.223 0.015 0.000 2.485 54 L HA 0.104 4.444 4.340 -0.000 0.000 0.275 54 L C 1.391 178.237 176.870 -0.041 0.000 1.207 54 L CA 0.928 55.754 54.840 -0.024 0.000 0.855 54 L CB 0.223 42.290 42.059 0.014 0.000 1.114 54 L HN 1.073 nan 8.230 nan 0.000 0.485 55 G N 0.969 109.635 108.800 -0.223 0.000 2.234 55 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.235 55 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.235 55 G C 0.718 175.536 174.900 -0.137 0.000 0.997 55 G CA -0.086 44.847 45.100 -0.278 0.000 0.623 55 G HN 1.465 nan 8.290 nan 0.000 0.514 56 G N -0.807 107.947 108.800 -0.077 0.000 2.574 56 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.286 56 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.286 56 G C 1.052 175.936 174.900 -0.027 0.000 1.212 56 G CA 1.691 46.765 45.100 -0.044 0.000 0.979 56 G HN 1.351 nan 8.290 nan 0.000 0.557 57 T N 0.187 114.734 114.554 -0.012 0.000 2.851 57 T HA -0.094 4.256 4.350 -0.000 0.000 0.262 57 T C 2.541 177.243 174.700 0.004 0.000 1.043 57 T CA 2.739 64.845 62.100 0.010 0.000 1.140 57 T CB -0.715 68.177 68.868 0.039 0.000 0.872 57 T HN 1.299 nan 8.240 nan 0.000 0.446 58 C N 1.586 120.887 119.300 0.002 0.000 2.413 58 C HA -0.051 4.409 4.460 -0.000 0.000 0.276 58 C C 2.614 177.593 174.990 -0.020 0.000 1.236 58 C CA 0.543 59.564 59.018 0.005 0.000 1.735 58 C CB -1.310 26.436 27.740 0.010 0.000 2.031 58 C HN 0.336 nan 8.230 nan 0.000 0.474 59 V N 2.009 121.911 119.914 -0.021 0.000 2.379 59 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 59 V C 2.498 178.547 176.094 -0.075 0.000 1.044 59 V CA 2.388 64.676 62.300 -0.020 0.000 1.036 59 V CB -0.713 31.137 31.823 0.044 0.000 0.664 59 V HN 0.623 nan 8.190 nan 0.000 0.453 60 N N 0.179 118.834 118.700 -0.074 0.000 2.436 60 N HA 0.016 4.756 4.740 -0.000 0.000 0.178 60 N C 1.079 176.484 175.510 -0.175 0.000 1.026 60 N CA 1.634 54.631 53.050 -0.088 0.000 0.880 60 N CB 0.925 39.395 38.487 -0.028 0.000 1.061 60 N HN 0.514 nan 8.380 nan 0.000 0.434 61 V N -2.875 116.950 119.914 -0.148 0.000 2.967 61 V HA 0.696 4.816 4.120 -0.000 0.000 0.364 61 V C 0.445 176.528 176.094 -0.018 0.000 1.373 61 V CA -0.294 61.943 62.300 -0.105 0.000 1.193 61 V CB 0.557 32.491 31.823 0.186 0.000 1.236 61 V HN 0.174 nan 8.190 nan 0.000 0.582 62 G N 0.117 108.801 108.800 -0.193 0.000 3.255 62 G HA2 0.192 4.151 3.960 -0.000 0.000 0.161 62 G HA3 0.192 4.151 3.960 -0.000 0.000 0.161 62 G C 0.984 175.875 174.900 -0.014 0.000 1.173 62 G CA 0.607 45.725 45.100 0.030 0.000 1.106 62 G HN 0.548 nan 8.290 nan 0.000 0.650 63 C N 0.165 119.479 119.300 0.023 0.000 2.440 63 C HA 0.126 4.585 4.460 -0.000 0.000 0.278 63 C C 2.603 177.579 174.990 -0.025 0.000 1.295 63 C CA 1.620 60.657 59.018 0.030 0.000 1.738 63 C CB -1.065 26.705 27.740 0.050 0.000 1.987 63 C HN 0.236 nan 8.230 nan 0.000 0.492 64 V N 2.828 122.722 119.914 -0.033 0.000 2.283 64 V HA -0.031 4.089 4.120 -0.000 0.000 0.243 64 V C 0.425 176.509 176.094 -0.017 0.000 1.039 64 V CA 2.539 64.839 62.300 -0.000 0.000 1.016 64 V CB -1.651 30.188 31.823 0.026 0.000 0.650 64 V HN 0.407 nan 8.190 nan 0.000 0.449 65 P HA -0.193 nan 4.420 nan 0.000 0.217 65 P C 1.618 178.944 177.300 0.044 0.000 1.150 65 P CA 1.438 64.434 63.100 -0.174 0.000 0.832 65 P CB -0.106 31.190 31.700 -0.674 0.000 0.787 66 K N 0.894 121.341 120.400 0.079 0.000 2.032 66 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 66 K C 2.128 178.798 176.600 0.117 0.000 1.048 66 K CA 1.821 58.264 56.287 0.259 0.000 0.927 66 K CB -0.428 32.200 32.500 0.213 0.000 0.712 66 K HN -0.115 nan 8.250 nan 0.000 0.441 67 K N 0.612 120.991 120.400 -0.034 0.000 2.097 67 K HA -0.053 4.266 4.320 -0.000 0.000 0.206 67 K C 1.978 178.601 176.600 0.037 0.000 1.049 67 K CA 1.137 57.350 56.287 -0.125 0.000 0.933 67 K CB -0.271 32.094 32.500 -0.224 0.000 0.717 67 K HN 0.001 nan 8.250 nan 0.000 0.442 68 V N 0.745 120.680 119.914 0.034 0.000 2.407 68 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 68 V C 2.259 178.377 176.094 0.040 0.000 1.055 68 V CA 1.608 63.918 62.300 0.016 0.000 1.049 68 V CB -0.475 31.344 31.823 -0.006 0.000 0.662 68 V HN 0.335 nan 8.190 nan 0.000 0.455 69 M N -1.769 117.895 119.600 0.107 0.000 2.254 69 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 69 M C 1.923 178.299 176.300 0.126 0.000 1.066 69 M CA 1.238 56.600 55.300 0.104 0.000 1.123 69 M CB -1.224 31.526 32.600 0.252 0.000 1.388 69 M HN 0.611 nan 8.290 nan 0.000 0.425 70 W N 2.493 123.790 121.300 -0.005 0.000 2.379 70 W HA -0.162 4.498 4.660 -0.000 0.000 0.307 70 W C 1.951 178.458 176.519 -0.020 0.000 1.200 70 W CA 1.534 58.879 57.345 0.001 0.000 1.297 70 W CB -0.393 29.019 29.460 -0.081 0.000 1.140 70 W HN 0.247 nan 8.180 nan 0.000 0.507 71 N N -0.221 118.532 118.700 0.087 0.000 2.091 71 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 71 N C 1.570 176.986 175.510 -0.158 0.000 1.021 71 N CA 2.602 55.599 53.050 -0.089 0.000 0.862 71 N CB -1.094 37.408 38.487 0.025 0.000 1.018 71 N HN 0.186 nan 8.380 nan 0.000 0.429 72 T N 0.820 115.297 114.554 -0.128 0.000 2.708 72 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 72 T C 1.988 176.509 174.700 -0.297 0.000 1.037 72 T CA 1.427 63.417 62.100 -0.184 0.000 1.146 72 T CB -0.427 68.320 68.868 -0.202 0.000 0.865 72 T HN 0.359 nan 8.240 nan 0.000 0.435 73 A N 1.631 124.258 122.820 -0.322 0.000 1.933 73 A HA -0.067 4.252 4.320 -0.000 0.000 0.218 73 A C 2.662 179.917 177.584 -0.549 0.000 1.175 73 A CA 1.848 53.643 52.037 -0.403 0.000 0.628 73 A CB -1.041 17.799 19.000 -0.266 0.000 0.814 73 A HN 0.516 nan 8.150 nan 0.000 0.444 74 V N -3.779 115.737 119.914 -0.663 0.000 2.667 74 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 74 V C 2.116 177.646 176.094 -0.939 0.000 1.065 74 V CA 2.139 63.887 62.300 -0.920 0.000 1.083 74 V CB -1.303 29.835 31.823 -1.141 0.000 0.692 74 V HN 0.630 nan 8.190 nan 0.000 0.468 75 H N 0.465 119.187 119.070 -0.581 0.000 2.387 75 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 75 H C 2.673 177.776 175.328 -0.375 0.000 1.099 75 H CA 2.054 57.880 56.048 -0.371 0.000 1.315 75 H CB -0.057 29.555 29.762 -0.250 0.000 1.380 75 H HN 0.574 nan 8.280 nan 0.000 0.513 76 S N 0.067 115.556 115.700 -0.351 0.000 2.368 76 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 76 S C 1.903 176.111 174.600 -0.654 0.000 1.029 76 S CA 1.095 59.038 58.200 -0.429 0.000 0.988 76 S CB 0.090 63.025 63.200 -0.442 0.000 0.838 76 S HN 0.552 nan 8.310 nan 0.000 0.462 77 E N -0.205 119.619 120.200 -0.626 0.000 2.150 77 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 77 E C 1.518 178.042 176.600 -0.127 0.000 0.985 77 E CA 0.890 56.994 56.400 -0.495 0.000 0.814 77 E CB -0.180 29.259 29.700 -0.434 0.000 0.752 77 E HN 0.507 nan 8.360 nan 0.000 0.466 78 F N 0.621 120.438 119.950 -0.222 0.000 2.335 78 F HA 0.076 4.603 4.527 -0.000 0.000 0.296 78 F C 2.234 177.996 175.800 -0.062 0.000 1.091 78 F CA 0.282 58.215 58.000 -0.111 0.000 1.399 78 F CB -0.709 38.153 39.000 -0.230 0.000 1.067 78 F HN -0.013 nan 8.300 nan 0.000 0.520 79 M N -0.296 119.321 119.600 0.028 0.000 2.089 79 M HA -0.296 4.184 4.480 -0.000 0.000 0.257 79 M C 2.400 178.832 176.300 0.221 0.000 1.071 79 M CA 1.915 57.230 55.300 0.026 0.000 1.096 79 M CB -0.425 32.158 32.600 -0.028 0.000 1.330 79 M HN 0.102 nan 8.290 nan 0.000 0.403 80 H N 0.098 119.253 119.070 0.142 0.000 2.353 80 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 80 H C 1.426 176.886 175.328 0.220 0.000 1.090 80 H CA 1.558 57.699 56.048 0.155 0.000 1.327 80 H CB -0.794 29.042 29.762 0.122 0.000 1.383 80 H HN 0.443 nan 8.280 nan 0.000 0.508 81 D N -0.608 120.045 120.400 0.421 0.000 2.363 81 D HA -0.060 4.580 4.640 -0.000 0.000 0.226 81 D C 1.882 178.434 176.300 0.420 0.000 1.020 81 D CA 0.326 54.574 54.000 0.414 0.000 0.892 81 D CB -0.191 40.919 40.800 0.516 0.000 0.900 81 D HN 0.398 nan 8.370 nan 0.000 0.531 82 H N 1.634 120.860 119.070 0.261 0.000 2.253 82 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 82 H C 2.011 177.528 175.328 0.314 0.000 1.074 82 H CA 2.145 58.340 56.048 0.245 0.000 1.263 82 H CB -0.268 29.588 29.762 0.156 0.000 1.363 82 H HN 0.069 nan 8.280 nan 0.000 0.489 83 A N 0.437 123.399 122.820 0.236 0.000 1.986 83 A HA -0.211 4.108 4.320 -0.000 0.000 0.220 83 A C 2.069 179.699 177.584 0.077 0.000 1.171 83 A CA 2.028 54.140 52.037 0.126 0.000 0.640 83 A CB -0.522 18.548 19.000 0.118 0.000 0.811 83 A HN 0.524 nan 8.150 nan 0.000 0.451 84 D N -1.755 118.701 120.400 0.093 0.000 2.178 84 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 84 D C 0.825 177.047 176.300 -0.129 0.000 0.980 84 D CA 1.128 55.113 54.000 -0.025 0.000 0.842 84 D CB -0.250 40.527 40.800 -0.038 0.000 0.948 84 D HN 0.632 nan 8.370 nan 0.000 0.472 85 Y N -0.436 119.883 120.300 0.031 0.000 2.470 85 Y HA 0.304 4.854 4.550 -0.000 0.000 0.284 85 Y C 1.553 177.417 175.900 -0.060 0.000 1.188 85 Y CA 0.281 58.404 58.100 0.038 0.000 1.269 85 Y CB 0.620 39.172 38.460 0.154 0.000 1.094 85 Y HN 0.025 nan 8.280 nan 0.000 0.518 86 G N -0.821 107.953 108.800 -0.043 0.000 2.131 86 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.223 86 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.223 86 G C -0.267 174.398 174.900 -0.392 0.000 0.990 86 G CA -0.454 44.507 45.100 -0.232 0.000 0.671 86 G HN 0.174 nan 8.290 nan 0.000 0.521 87 F N 0.136 119.970 119.950 -0.194 0.000 2.556 87 F HA 0.629 5.156 4.527 -0.000 0.000 0.327 87 F C -1.925 173.782 175.800 -0.156 0.000 1.059 87 F CA -2.600 55.219 58.000 -0.303 0.000 0.953 87 F CB 1.558 39.980 39.000 -0.963 0.000 1.227 87 F HN -0.206 nan 8.300 nan 0.000 0.478 88 P HA -0.053 nan 4.420 nan 0.000 0.260 88 P C -0.434 177.012 177.300 0.244 0.000 1.185 88 P CA 0.258 63.471 63.100 0.188 0.000 0.763 88 P CB 0.368 32.190 31.700 0.203 0.000 0.776 89 S N 2.881 118.681 115.700 0.166 0.000 2.887 89 S HA 0.067 4.537 4.470 -0.000 0.000 0.337 89 S C 0.241 174.943 174.600 0.170 0.000 1.209 89 S CA -0.085 58.213 58.200 0.163 0.000 1.186 89 S CB -1.019 62.243 63.200 0.104 0.000 0.925 89 S HN 0.624 nan 8.310 nan 0.000 0.522 90 C N 4.488 123.911 119.300 0.206 0.000 2.797 90 C HA 0.764 5.223 4.460 -0.000 0.000 0.306 90 C C 0.613 175.682 174.990 0.131 0.000 1.207 90 C CA -0.545 58.569 59.018 0.160 0.000 1.507 90 C CB 1.155 28.998 27.740 0.172 0.000 2.028 90 C HN 1.035 nan 8.230 nan 0.000 0.475 91 E N 3.344 123.603 120.200 0.099 0.000 2.564 91 E HA 0.600 4.950 4.350 -0.000 0.000 0.203 91 E C 0.882 177.533 176.600 0.085 0.000 0.867 91 E CA 0.566 57.019 56.400 0.088 0.000 1.250 91 E CB 0.456 30.199 29.700 0.072 0.000 1.215 91 E HN 1.209 nan 8.360 nan 0.000 0.566 92 G N 0.428 109.282 108.800 0.089 0.000 2.570 92 G HA2 0.121 4.081 3.960 -0.000 0.000 0.072 92 G HA3 0.121 4.081 3.960 -0.000 0.000 0.072 92 G C -1.325 173.639 174.900 0.107 0.000 1.030 92 G CA -0.648 44.507 45.100 0.092 0.000 1.277 92 G HN -0.006 nan 8.290 nan 0.000 0.559 93 K N 0.925 121.381 120.400 0.094 0.000 2.316 93 K HA 0.512 4.831 4.320 -0.000 0.000 0.289 93 K C -0.950 175.739 176.600 0.149 0.000 1.070 93 K CA -0.339 56.013 56.287 0.109 0.000 0.928 93 K CB 1.425 33.964 32.500 0.063 0.000 1.039 93 K HN 0.239 nan 8.250 nan 0.000 0.480 94 F N 3.258 123.230 119.950 0.037 0.000 2.456 94 F HA 0.122 4.649 4.527 -0.000 0.000 0.358 94 F C 0.163 176.000 175.800 0.062 0.000 1.095 94 F CA -0.735 57.288 58.000 0.038 0.000 1.216 94 F CB 0.443 39.479 39.000 0.060 0.000 1.125 94 F HN 0.454 nan 8.300 nan 0.000 0.549 95 N N 7.464 125.763 118.700 -0.669 0.000 2.527 95 N HA 0.003 4.743 4.740 -0.000 0.000 0.236 95 N C 0.721 175.632 175.510 -0.997 0.000 0.999 95 N CA -0.403 52.288 53.050 -0.599 0.000 0.935 95 N CB 0.034 38.344 38.487 -0.295 0.000 1.132 95 N HN 0.876 nan 8.380 nan 0.000 0.511 96 W N 4.468 125.171 121.300 -0.996 0.000 2.358 96 W HA -0.165 4.494 4.660 -0.000 0.000 0.303 96 W C 1.621 177.950 176.519 -0.317 0.000 1.208 96 W CA 1.210 58.174 57.345 -0.635 0.000 1.274 96 W CB 0.005 29.336 29.460 -0.215 0.000 1.138 96 W HN 0.639 nan 8.180 nan 0.000 0.515 97 R N 0.605 121.141 120.500 0.061 0.000 2.119 97 R HA -0.224 4.115 4.340 -0.000 0.000 0.246 97 R C 2.072 178.337 176.300 -0.059 0.000 1.146 97 R CA 2.705 58.829 56.100 0.040 0.000 0.962 97 R CB -0.923 29.378 30.300 0.002 0.000 0.863 97 R HN 0.082 nan 8.270 nan 0.000 0.442 98 V N 0.260 120.089 119.914 -0.141 0.000 2.323 98 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 98 V C 2.155 178.176 176.094 -0.122 0.000 1.041 98 V CA 1.710 63.936 62.300 -0.123 0.000 1.025 98 V CB -0.404 31.335 31.823 -0.141 0.000 0.656 98 V HN 0.387 nan 8.190 nan 0.000 0.451 99 I N 0.250 120.717 120.570 -0.171 0.000 2.439 99 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 99 I C 2.338 178.363 176.117 -0.153 0.000 1.139 99 I CA 1.620 62.836 61.300 -0.140 0.000 1.438 99 I CB -0.371 37.574 38.000 -0.092 0.000 1.085 99 I HN 0.234 nan 8.210 nan 0.000 0.427 100 K N 0.759 121.038 120.400 -0.202 0.000 2.063 100 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 100 K C 2.053 178.638 176.600 -0.026 0.000 1.048 100 K CA 1.991 58.210 56.287 -0.114 0.000 0.928 100 K CB -0.271 32.223 32.500 -0.011 0.000 0.713 100 K HN 0.340 nan 8.250 nan 0.000 0.442 101 E N 0.243 120.428 120.200 -0.024 0.000 2.077 101 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 101 E C 1.701 178.298 176.600 -0.004 0.000 0.989 101 E CA 1.478 57.874 56.400 -0.006 0.000 0.800 101 E CB 0.148 29.840 29.700 -0.013 0.000 0.746 101 E HN 0.254 nan 8.360 nan 0.000 0.452 102 K N -0.022 120.364 120.400 -0.022 0.000 2.097 102 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 102 K C 2.296 178.910 176.600 0.023 0.000 1.050 102 K CA 0.808 57.088 56.287 -0.013 0.000 0.938 102 K CB -0.132 32.340 32.500 -0.046 0.000 0.718 102 K HN 0.044 nan 8.250 nan 0.000 0.442 103 R N 1.280 121.786 120.500 0.010 0.000 2.066 103 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 103 R C 1.549 177.894 176.300 0.075 0.000 1.131 103 R CA 1.657 57.786 56.100 0.049 0.000 0.955 103 R CB -0.047 30.259 30.300 0.011 0.000 0.851 103 R HN 0.110 nan 8.270 nan 0.000 0.432 104 D N 0.250 120.677 120.400 0.045 0.000 2.133 104 D HA -0.173 4.466 4.640 -0.000 0.000 0.195 104 D C 1.614 177.935 176.300 0.036 0.000 0.997 104 D CA 1.677 55.699 54.000 0.037 0.000 0.840 104 D CB -0.183 40.638 40.800 0.035 0.000 0.947 104 D HN 0.378 nan 8.370 nan 0.000 0.452 105 A N -0.370 122.480 122.820 0.049 0.000 1.970 105 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 105 A C 2.100 179.726 177.584 0.070 0.000 1.170 105 A CA 0.770 52.833 52.037 0.044 0.000 0.645 105 A CB -0.730 18.294 19.000 0.040 0.000 0.816 105 A HN 0.294 nan 8.150 nan 0.000 0.447 106 Y N 0.423 120.702 120.300 -0.035 0.000 2.263 106 Y HA -0.104 4.445 4.550 -0.000 0.000 0.292 106 Y C 2.253 178.128 175.900 -0.042 0.000 1.130 106 Y CA 1.532 59.607 58.100 -0.041 0.000 1.179 106 Y CB -0.278 38.157 38.460 -0.042 0.000 0.998 106 Y HN 0.061 nan 8.280 nan 0.000 0.532 107 V N -0.699 119.152 119.914 -0.104 0.000 2.261 107 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 107 V C 2.430 178.439 176.094 -0.142 0.000 1.047 107 V CA 2.184 64.383 62.300 -0.168 0.000 1.015 107 V CB -0.979 30.801 31.823 -0.073 0.000 0.642 107 V HN 0.392 nan 8.190 nan 0.000 0.446 108 S N -0.637 115.016 115.700 -0.077 0.000 2.374 108 S HA -0.288 4.182 4.470 -0.000 0.000 0.227 108 S C 2.071 176.617 174.600 -0.090 0.000 1.037 108 S CA 1.969 60.134 58.200 -0.058 0.000 1.024 108 S CB -0.420 62.764 63.200 -0.026 0.000 0.861 108 S HN 0.491 nan 8.310 nan 0.000 0.456 109 R N 0.860 121.290 120.500 -0.118 0.000 2.096 109 R HA -0.068 4.272 4.340 -0.000 0.000 0.240 109 R C 2.150 178.314 176.300 -0.227 0.000 1.139 109 R CA 1.402 57.414 56.100 -0.146 0.000 0.952 109 R CB -0.452 29.770 30.300 -0.130 0.000 0.854 109 R HN 0.370 nan 8.270 nan 0.000 0.436 110 L N 0.070 121.095 121.223 -0.330 0.000 2.083 110 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 110 L C 1.909 178.630 176.870 -0.248 0.000 1.083 110 L CA 1.595 56.201 54.840 -0.390 0.000 0.752 110 L CB -0.583 41.241 42.059 -0.392 0.000 0.899 110 L HN 0.380 nan 8.230 nan 0.000 0.433 111 N N 0.105 118.755 118.700 -0.084 0.000 2.069 111 N HA -0.213 4.526 4.740 -0.000 0.000 0.191 111 N C 1.937 177.444 175.510 -0.005 0.000 1.031 111 N CA 1.246 54.312 53.050 0.027 0.000 0.852 111 N CB -0.195 38.296 38.487 0.006 0.000 1.018 111 N HN 0.338 nan 8.380 nan 0.000 0.423 112 A N 1.039 123.818 122.820 -0.068 0.000 1.897 112 A HA -0.047 4.272 4.320 -0.000 0.000 0.215 112 A C 2.143 179.667 177.584 -0.100 0.000 1.181 112 A CA 0.844 52.842 52.037 -0.066 0.000 0.620 112 A CB -0.571 18.389 19.000 -0.067 0.000 0.821 112 A HN 0.182 nan 8.150 nan 0.000 0.443 113 I N -1.547 118.908 120.570 -0.193 0.000 2.194 113 I HA -0.319 3.851 4.170 -0.000 0.000 0.246 113 I C 2.358 178.332 176.117 -0.238 0.000 1.093 113 I CA 1.489 62.630 61.300 -0.265 0.000 1.355 113 I CB -0.313 37.432 38.000 -0.425 0.000 1.046 113 I HN 0.398 nan 8.210 nan 0.000 0.413 114 Y N 0.196 120.456 120.300 -0.068 0.000 2.184 114 Y HA -0.259 4.291 4.550 -0.000 0.000 0.290 114 Y C 2.711 178.574 175.900 -0.061 0.000 1.129 114 Y CA 1.445 59.508 58.100 -0.063 0.000 1.144 114 Y CB -1.007 37.415 38.460 -0.064 0.000 0.995 114 Y HN 0.202 nan 8.280 nan 0.000 0.513 115 Q N 0.429 120.286 119.800 0.095 0.000 2.112 115 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 115 Q C 2.161 178.159 176.000 -0.004 0.000 0.987 115 Q CA 2.045 57.864 55.803 0.027 0.000 0.858 115 Q CB -0.333 28.408 28.738 0.006 0.000 0.905 115 Q HN 0.435 nan 8.270 nan 0.000 0.420 116 N N -0.493 118.195 118.700 -0.020 0.000 2.216 116 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 116 N C 1.084 176.567 175.510 -0.044 0.000 1.017 116 N CA 1.327 54.352 53.050 -0.041 0.000 0.861 116 N CB -0.046 38.409 38.487 -0.054 0.000 0.986 116 N HN 0.380 nan 8.380 nan 0.000 0.428 117 N N 0.424 119.109 118.700 -0.024 0.000 2.171 117 N HA 0.026 4.766 4.740 -0.000 0.000 0.184 117 N C 1.895 177.393 175.510 -0.019 0.000 1.021 117 N CA 0.523 53.563 53.050 -0.016 0.000 0.854 117 N CB 0.078 38.576 38.487 0.019 0.000 0.994 117 N HN 0.142 nan 8.380 nan 0.000 0.426 118 L N 0.308 121.529 121.223 -0.003 0.000 2.013 118 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 118 L C 2.089 178.922 176.870 -0.062 0.000 1.073 118 L CA 1.289 56.112 54.840 -0.028 0.000 0.753 118 L CB -0.846 41.197 42.059 -0.026 0.000 0.890 118 L HN 0.300 nan 8.230 nan 0.000 0.432 119 T N -0.810 113.700 114.554 -0.074 0.000 2.777 119 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 119 T C 1.925 176.487 174.700 -0.230 0.000 1.040 119 T CA 1.032 63.064 62.100 -0.114 0.000 1.141 119 T CB -0.052 68.766 68.868 -0.083 0.000 0.868 119 T HN 0.239 nan 8.240 nan 0.000 0.444 120 K N 1.096 121.383 120.400 -0.189 0.000 2.152 120 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 120 K C 2.084 178.512 176.600 -0.286 0.000 1.048 120 K CA 1.211 57.359 56.287 -0.232 0.000 0.933 120 K CB -0.057 32.374 32.500 -0.116 0.000 0.721 120 K HN 0.151 nan 8.250 nan 0.000 0.447 121 S N -0.216 115.384 115.700 -0.166 0.000 2.631 121 S HA 0.034 4.503 4.470 -0.000 0.000 0.217 121 S C -0.542 174.069 174.600 0.019 0.000 0.958 121 S CA -0.067 58.099 58.200 -0.055 0.000 0.920 121 S CB -0.204 62.983 63.200 -0.021 0.000 0.776 121 S HN 0.373 nan 8.310 nan 0.000 0.517 122 H N -0.015 119.052 119.070 -0.006 0.000 2.741 122 H HA -0.151 4.405 4.556 -0.000 0.000 0.305 122 H C -0.418 174.908 175.328 -0.003 0.000 1.169 122 H CA 0.485 56.535 56.048 0.002 0.000 1.144 122 H CB -1.971 27.797 29.762 0.010 0.000 1.397 122 H HN 0.422 nan 8.280 nan 0.000 0.409 123 I N 1.220 121.810 120.570 0.033 0.000 2.352 123 I HA 0.071 4.241 4.170 -0.000 0.000 0.290 123 I C 0.922 177.015 176.117 -0.040 0.000 1.036 123 I CA -0.281 61.010 61.300 -0.016 0.000 1.336 123 I CB 0.933 38.901 38.000 -0.053 0.000 1.407 123 I HN 0.231 nan 8.210 nan 0.000 0.497 124 E N 6.996 127.159 120.200 -0.061 0.000 2.360 124 E HA 0.268 4.618 4.350 -0.000 0.000 0.269 124 E C -0.943 175.567 176.600 -0.151 0.000 1.022 124 E CA -0.037 56.321 56.400 -0.070 0.000 0.887 124 E CB 0.651 30.332 29.700 -0.031 0.000 0.990 124 E HN 0.381 nan 8.360 nan 0.000 0.426 125 I N 5.628 126.135 120.570 -0.105 0.000 2.315 125 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 125 I C -0.297 175.740 176.117 -0.133 0.000 1.006 125 I CA -0.315 60.909 61.300 -0.127 0.000 1.265 125 I CB 1.005 38.956 38.000 -0.082 0.000 1.387 125 I HN 0.479 nan 8.210 nan 0.000 0.475 126 I N 6.595 127.043 120.570 -0.203 0.000 2.339 126 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 126 I C -0.015 176.007 176.117 -0.157 0.000 0.994 126 I CA -0.674 60.498 61.300 -0.213 0.000 1.191 126 I CB 0.747 38.481 38.000 -0.443 0.000 1.343 126 I HN 0.394 nan 8.210 nan 0.000 0.458 127 R N 5.109 125.555 120.500 -0.091 0.000 2.229 127 R HA 0.752 5.091 4.340 -0.000 0.000 0.328 127 R C 0.089 176.354 176.300 -0.058 0.000 1.009 127 R CA -0.398 55.659 56.100 -0.072 0.000 0.864 127 R CB 1.461 31.733 30.300 -0.046 0.000 1.085 127 R HN 0.973 nan 8.270 nan 0.000 0.453 128 G N 1.176 109.932 108.800 -0.072 0.000 2.359 128 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.303 128 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.303 128 G C -1.820 173.065 174.900 -0.025 0.000 1.293 128 G CA -0.972 44.105 45.100 -0.039 0.000 0.964 128 G HN 0.672 nan 8.290 nan 0.000 0.531 129 H N 0.602 119.630 119.070 -0.070 0.000 2.640 129 H HA 0.686 5.242 4.556 -0.001 0.000 0.297 129 H C 0.731 176.028 175.328 -0.050 0.000 1.073 129 H CA 0.587 56.603 56.048 -0.054 0.000 1.305 129 H CB 0.738 30.482 29.762 -0.031 0.000 1.404 129 H HN 0.907 nan 8.280 nan 0.000 0.459 130 A N 4.170 126.776 122.820 -0.355 0.000 2.477 130 A HA 0.576 4.896 4.320 -0.000 0.000 0.246 130 A C -0.186 177.203 177.584 -0.325 0.000 1.078 130 A CA 0.223 52.077 52.037 -0.305 0.000 0.770 130 A CB -0.180 18.606 19.000 -0.357 0.000 1.011 130 A HN 0.860 nan 8.150 nan 0.000 0.494 131 A N 1.895 124.640 122.820 -0.125 0.000 2.413 131 A HA 0.766 5.086 4.320 -0.000 0.000 0.307 131 A C -0.621 176.903 177.584 -0.100 0.000 1.087 131 A CA -0.645 51.354 52.037 -0.063 0.000 0.750 131 A CB 0.553 19.617 19.000 0.107 0.000 1.296 131 A HN 0.659 nan 8.150 nan 0.000 0.423 132 F N 1.210 121.179 119.950 0.031 0.000 2.506 132 F HA 0.377 4.904 4.527 -0.000 0.000 0.351 132 F C 1.737 177.561 175.800 0.039 0.000 1.136 132 F CA 1.056 59.077 58.000 0.035 0.000 1.298 132 F CB 1.116 40.132 39.000 0.025 0.000 1.145 132 F HN 0.698 nan 8.300 nan 0.000 0.593 133 T N -2.116 112.582 114.554 0.241 0.000 2.880 133 T HA 0.334 4.683 4.350 -0.000 0.000 0.279 133 T C 0.787 175.562 174.700 0.124 0.000 0.990 133 T CA -0.155 62.031 62.100 0.145 0.000 0.938 133 T CB 1.226 70.155 68.868 0.102 0.000 1.206 133 T HN 0.525 nan 8.240 nan 0.000 0.573 134 S N -1.203 114.545 115.700 0.079 0.000 2.577 134 S HA 0.177 4.646 4.470 -0.000 0.000 0.219 134 S C 0.047 174.673 174.600 0.044 0.000 0.962 134 S CA -0.644 57.588 58.200 0.054 0.000 0.921 134 S CB -0.514 62.710 63.200 0.039 0.000 0.789 134 S HN 0.681 nan 8.310 nan 0.000 0.497 135 D N 3.849 124.281 120.400 0.054 0.000 2.443 135 D HA 0.090 4.730 4.640 -0.000 0.000 0.234 135 D C -1.223 175.101 176.300 0.040 0.000 1.172 135 D CA -0.975 53.053 54.000 0.045 0.000 0.878 135 D CB 0.707 41.539 40.800 0.054 0.000 1.204 135 D HN 0.194 nan 8.370 nan 0.000 0.453 136 P HA -0.034 nan 4.420 nan 0.000 0.216 136 P C 0.398 177.709 177.300 0.019 0.000 1.154 136 P CA 0.392 63.502 63.100 0.017 0.000 0.857 136 P CB 0.529 32.235 31.700 0.011 0.000 0.787 137 K N 1.374 121.790 120.400 0.027 0.000 2.524 137 K HA 0.044 4.364 4.320 -0.000 0.000 0.279 137 K C -2.124 174.514 176.600 0.063 0.000 0.993 137 K CA -1.106 55.203 56.287 0.038 0.000 1.030 137 K CB -0.332 32.192 32.500 0.040 0.000 0.891 137 K HN 0.023 nan 8.250 nan 0.000 0.488 138 P HA 0.067 nan 4.420 nan 0.000 0.271 138 P C -1.299 176.119 177.300 0.197 0.000 1.233 138 P CA 0.179 63.362 63.100 0.139 0.000 0.764 138 P CB 0.877 32.645 31.700 0.112 0.000 0.825 139 T N 3.758 118.464 114.554 0.254 0.000 3.105 139 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 139 T C -0.051 174.756 174.700 0.178 0.000 1.135 139 T CA -0.465 61.746 62.100 0.184 0.000 1.053 139 T CB 0.618 69.561 68.868 0.125 0.000 1.133 139 T HN 0.259 nan 8.240 nan 0.000 0.463 140 I N 0.083 120.697 120.570 0.073 0.000 2.982 140 I HA 0.941 5.111 4.170 -0.000 0.000 0.312 140 I C -0.358 175.802 176.117 0.072 0.000 1.041 140 I CA -1.040 60.232 61.300 -0.047 0.000 1.053 140 I CB 1.885 39.728 38.000 -0.263 0.000 1.248 140 I HN 0.731 nan 8.210 nan 0.000 0.471 141 E N 2.242 122.474 120.200 0.052 0.000 2.314 141 E HA 0.697 5.047 4.350 -0.000 0.000 0.272 141 E C -1.997 174.669 176.600 0.110 0.000 0.884 141 E CA -0.897 55.569 56.400 0.110 0.000 0.753 141 E CB 2.556 32.294 29.700 0.062 0.000 1.213 141 E HN 0.542 nan 8.360 nan 0.000 0.432 142 V N 2.336 122.363 119.914 0.190 0.000 2.577 142 V HA 0.286 4.406 4.120 -0.000 0.000 0.303 142 V C -0.425 175.752 176.094 0.138 0.000 1.042 142 V CA -0.830 61.554 62.300 0.141 0.000 0.872 142 V CB 1.495 33.386 31.823 0.114 0.000 0.998 142 V HN 0.948 nan 8.190 nan 0.000 0.423 143 S N 2.482 118.234 115.700 0.087 0.000 3.310 143 S HA -0.166 4.304 4.470 -0.000 0.000 0.381 143 S C 1.062 175.693 174.600 0.052 0.000 0.908 143 S CA 0.412 58.649 58.200 0.062 0.000 1.333 143 S CB -0.790 62.443 63.200 0.054 0.000 0.931 143 S HN 1.686 nan 8.310 nan 0.000 0.570 144 G N 2.016 110.840 108.800 0.041 0.000 2.527 144 G HA2 0.047 4.006 3.960 -0.000 0.000 0.288 144 G HA3 0.047 4.006 3.960 -0.000 0.000 0.288 144 G C 0.261 175.164 174.900 0.005 0.000 0.651 144 G CA 0.042 45.163 45.100 0.034 0.000 2.096 144 G HN 0.553 nan 8.290 nan 0.000 0.520 145 K N 1.344 121.744 120.400 0.001 0.000 2.144 145 K HA 0.237 4.557 4.320 -0.000 0.000 0.270 145 K C 0.395 176.883 176.600 -0.187 0.000 1.005 145 K CA -0.371 55.841 56.287 -0.124 0.000 0.932 145 K CB 0.949 33.332 32.500 -0.195 0.000 1.021 145 K HN 0.277 nan 8.250 nan 0.000 0.462 146 K N 2.075 122.313 120.400 -0.269 0.000 2.098 146 K HA 0.283 4.603 4.320 -0.000 0.000 0.261 146 K C -1.140 175.207 176.600 -0.421 0.000 0.987 146 K CA -0.391 55.776 56.287 -0.200 0.000 0.916 146 K CB 0.762 33.209 32.500 -0.089 0.000 1.039 146 K HN 0.365 nan 8.250 nan 0.000 0.455 147 Y N -0.654 119.672 120.300 0.044 0.000 2.534 147 Y HA 0.359 4.909 4.550 -0.001 0.000 0.345 147 Y C -0.010 175.942 175.900 0.087 0.000 1.031 147 Y CA -0.763 57.389 58.100 0.086 0.000 1.022 147 Y CB 2.630 41.151 38.460 0.102 0.000 1.292 147 Y HN 0.522 nan 8.280 nan 0.000 0.459 148 T N 0.918 115.638 114.554 0.277 0.000 2.868 148 T HA 0.921 5.271 4.350 -0.000 0.000 0.306 148 T C -1.696 173.152 174.700 0.246 0.000 1.224 148 T CA -0.316 61.912 62.100 0.214 0.000 1.012 148 T CB 1.301 70.252 68.868 0.137 0.000 1.221 148 T HN 1.007 nan 8.240 nan 0.000 0.499 149 A N 3.002 125.958 122.820 0.227 0.000 2.594 149 A HA 0.846 5.165 4.320 -0.000 0.000 0.291 149 A C -2.184 175.502 177.584 0.171 0.000 1.105 149 A CA -1.345 50.838 52.037 0.243 0.000 0.694 149 A CB 1.120 20.326 19.000 0.344 0.000 1.291 149 A HN 0.585 nan 8.150 nan 0.000 0.410 150 P HA -0.096 nan 4.420 nan 0.000 0.219 150 P C -0.137 177.044 177.300 -0.199 0.000 1.146 150 P CA 1.488 64.525 63.100 -0.104 0.000 0.808 150 P CB -0.045 31.533 31.700 -0.203 0.000 0.779 151 H N -0.515 118.783 119.070 0.379 0.000 2.823 151 H HA 0.442 4.998 4.556 -0.000 0.000 0.332 151 H C -0.170 175.510 175.328 0.586 0.000 0.980 151 H CA -0.677 55.707 56.048 0.560 0.000 1.286 151 H CB 1.422 31.520 29.762 0.559 0.000 1.541 151 H HN 0.014 nan 8.280 nan 0.000 0.521 152 I N 4.232 125.159 120.570 0.596 0.000 2.389 152 I HA 0.092 4.261 4.170 -0.000 0.000 0.288 152 I C -0.460 175.921 176.117 0.439 0.000 0.999 152 I CA -0.885 60.648 61.300 0.390 0.000 1.129 152 I CB 2.132 40.318 38.000 0.310 0.000 1.288 152 I HN 0.185 nan 8.210 nan 0.000 0.444 153 L N 8.495 129.856 121.223 0.230 0.000 2.264 153 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 153 L C -0.518 176.415 176.870 0.106 0.000 1.044 153 L CA 0.042 55.009 54.840 0.212 0.000 0.807 153 L CB 0.741 42.829 42.059 0.049 0.000 1.192 153 L HN 0.392 nan 8.230 nan 0.000 0.425 154 I N 6.030 126.700 120.570 0.166 0.000 2.337 154 I HA 0.438 4.608 4.170 -0.000 0.000 0.291 154 I C 0.467 176.635 176.117 0.086 0.000 1.046 154 I CA 0.065 61.437 61.300 0.121 0.000 1.324 154 I CB 1.127 39.234 38.000 0.178 0.000 1.409 154 I HN 0.832 nan 8.210 nan 0.000 0.494 155 A N 3.722 126.562 122.820 0.034 0.000 3.176 155 A HA 0.272 4.592 4.320 -0.000 0.000 0.265 155 A C 0.804 178.395 177.584 0.011 0.000 0.936 155 A CA -0.365 51.688 52.037 0.026 0.000 1.033 155 A CB -0.311 18.690 19.000 0.001 0.000 1.158 155 A HN 0.723 nan 8.150 nan 0.000 0.485 156 T N -3.002 111.569 114.554 0.027 0.000 3.107 156 T HA 0.457 4.806 4.350 -0.000 0.000 0.249 156 T C 1.291 176.013 174.700 0.038 0.000 1.096 156 T CA 0.922 63.035 62.100 0.020 0.000 1.012 156 T CB -0.143 68.738 68.868 0.022 0.000 0.977 156 T HN 2.040 nan 8.240 nan 0.000 0.527 157 G N 0.348 109.177 108.800 0.048 0.000 2.601 157 G HA2 0.239 4.199 3.960 -0.000 0.000 0.252 157 G HA3 0.239 4.199 3.960 -0.000 0.000 0.252 157 G C 0.034 174.975 174.900 0.069 0.000 1.294 157 G CA -0.397 44.737 45.100 0.056 0.000 0.912 157 G HN 1.172 nan 8.290 nan 0.000 0.574 158 G N -1.626 107.215 108.800 0.068 0.000 3.105 158 G HA2 0.972 4.932 3.960 -0.000 0.000 0.277 158 G HA3 0.972 4.932 3.960 -0.000 0.000 0.277 158 G C -0.236 174.696 174.900 0.053 0.000 1.375 158 G CA 0.105 45.248 45.100 0.071 0.000 0.962 158 G HN 1.842 nan 8.290 nan 0.000 0.541 159 M N -1.677 117.952 119.600 0.048 0.000 2.683 159 M HA 0.629 5.109 4.480 -0.000 0.000 0.274 159 M C -3.167 173.157 176.300 0.040 0.000 1.272 159 M CA -1.973 53.350 55.300 0.037 0.000 0.833 159 M CB 2.200 34.812 32.600 0.020 0.000 1.708 159 M HN 0.168 nan 8.290 nan 0.000 0.463 160 P HA 0.198 nan 4.420 nan 0.000 0.275 160 P C -0.795 176.513 177.300 0.013 0.000 1.227 160 P CA -0.173 62.950 63.100 0.039 0.000 0.781 160 P CB 0.814 32.548 31.700 0.055 0.000 0.906 161 S N 1.020 116.721 115.700 0.002 0.000 2.562 161 S HA 0.616 5.085 4.470 -0.000 0.000 0.275 161 S C 0.013 174.557 174.600 -0.094 0.000 1.281 161 S CA -0.418 57.756 58.200 -0.043 0.000 1.045 161 S CB 0.105 63.284 63.200 -0.035 0.000 0.962 161 S HN 0.552 nan 8.310 nan 0.000 0.503 162 T N -0.759 113.684 114.554 -0.185 0.000 2.893 162 T HA 0.682 5.032 4.350 -0.000 0.000 0.291 162 T C -3.168 171.264 174.700 -0.447 0.000 1.028 162 T CA -2.028 59.850 62.100 -0.371 0.000 0.995 162 T CB 0.682 69.371 68.868 -0.297 0.000 1.051 162 T HN 0.438 nan 8.240 nan 0.000 0.470 163 P HA 0.129 nan 4.420 nan 0.000 0.267 163 P C -0.035 177.074 177.300 -0.318 0.000 1.200 163 P CA -0.207 62.623 63.100 -0.450 0.000 0.772 163 P CB 0.199 31.505 31.700 -0.657 0.000 0.855 164 H N 1.071 120.031 119.070 -0.183 0.000 2.629 164 H HA 0.021 4.577 4.556 0.000 0.000 0.357 164 H C 1.018 176.291 175.328 -0.092 0.000 1.121 164 H CA -0.044 55.936 56.048 -0.113 0.000 1.406 164 H CB 1.017 30.733 29.762 -0.078 0.000 1.456 164 H HN 0.524 nan 8.280 nan 0.000 0.579 165 E N 1.020 121.245 120.200 0.042 0.000 2.209 165 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 165 E C 2.061 178.686 176.600 0.043 0.000 0.993 165 E CA 1.443 57.863 56.400 0.033 0.000 0.819 165 E CB 0.097 29.814 29.700 0.030 0.000 0.745 165 E HN 0.621 nan 8.360 nan 0.000 0.477 166 S N -0.479 115.257 115.700 0.060 0.000 2.423 166 S HA -0.211 4.258 4.470 -0.000 0.000 0.231 166 S C 1.749 176.356 174.600 0.013 0.000 1.014 166 S CA 1.071 59.287 58.200 0.026 0.000 0.965 166 S CB -0.169 63.033 63.200 0.003 0.000 0.785 166 S HN 0.302 nan 8.310 nan 0.000 0.495 167 Q N 0.414 120.225 119.800 0.018 0.000 2.165 167 Q HA 0.410 4.749 4.340 -0.000 0.000 0.197 167 Q C 0.238 176.245 176.000 0.011 0.000 0.952 167 Q CA 0.650 56.455 55.803 0.002 0.000 0.848 167 Q CB 0.152 28.884 28.738 -0.010 0.000 0.931 167 Q HN 0.533 nan 8.270 nan 0.000 0.470 168 I N 1.888 122.466 120.570 0.012 0.000 2.517 168 I HA 0.306 4.476 4.170 -0.000 0.000 0.280 168 I C -2.606 173.543 176.117 0.053 0.000 1.061 168 I CA -2.580 58.744 61.300 0.040 0.000 1.091 168 I CB 1.992 40.023 38.000 0.053 0.000 1.205 168 I HN -0.190 nan 8.210 nan 0.000 0.459 169 P HA 0.090 nan 4.420 nan 0.000 0.263 169 P C 0.954 178.299 177.300 0.075 0.000 1.195 169 P CA 0.801 63.933 63.100 0.053 0.000 0.762 169 P CB 0.647 32.371 31.700 0.042 0.000 0.799 170 G N 2.914 111.758 108.800 0.074 0.000 2.175 170 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 170 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 170 G C 1.187 176.182 174.900 0.157 0.000 0.982 170 G CA 0.371 45.528 45.100 0.094 0.000 0.641 170 G HN 0.645 nan 8.290 nan 0.000 0.527 171 A N 0.921 123.841 122.820 0.166 0.000 1.948 171 A HA 0.103 4.423 4.320 -0.000 0.000 0.220 171 A C 2.599 180.359 177.584 0.292 0.000 1.177 171 A CA 2.836 55.030 52.037 0.261 0.000 0.636 171 A CB -0.750 18.216 19.000 -0.055 0.000 0.815 171 A HN 1.741 nan 8.150 nan 0.000 0.449 172 S N -0.449 115.331 115.700 0.134 0.000 2.603 172 S HA 0.123 4.593 4.470 -0.000 0.000 0.229 172 S C 1.476 176.151 174.600 0.124 0.000 0.972 172 S CA 0.811 59.077 58.200 0.110 0.000 0.935 172 S CB -0.523 62.701 63.200 0.040 0.000 0.769 172 S HN 0.474 nan 8.310 nan 0.000 0.536 173 L N 1.192 122.497 121.223 0.137 0.000 2.217 173 L HA 0.182 4.522 4.340 -0.000 0.000 0.211 173 L C 1.828 178.748 176.870 0.082 0.000 1.107 173 L CA 0.341 55.234 54.840 0.089 0.000 0.783 173 L CB -1.074 41.022 42.059 0.061 0.000 0.919 173 L HN 0.459 nan 8.230 nan 0.000 0.442 174 G N 0.690 109.590 108.800 0.167 0.000 2.594 174 G HA2 0.388 4.348 3.960 -0.000 0.000 0.243 174 G HA3 0.388 4.348 3.960 -0.000 0.000 0.243 174 G C -0.129 174.844 174.900 0.122 0.000 1.229 174 G CA -0.424 44.696 45.100 0.034 0.000 0.843 174 G HN 0.206 nan 8.290 nan 0.000 0.578 175 I N -1.375 119.213 120.570 0.029 0.000 3.062 175 I HA 0.842 5.012 4.170 -0.000 0.000 0.316 175 I C 0.575 176.772 176.117 0.133 0.000 1.041 175 I CA -0.952 60.398 61.300 0.083 0.000 1.069 175 I CB 2.125 40.147 38.000 0.036 0.000 1.300 175 I HN 0.591 nan 8.210 nan 0.000 0.518 176 T N -1.438 113.192 114.554 0.127 0.000 2.841 176 T HA 0.304 4.654 4.350 -0.000 0.000 0.276 176 T C 1.095 175.844 174.700 0.081 0.000 1.003 176 T CA -0.044 62.129 62.100 0.122 0.000 0.995 176 T CB 1.112 70.052 68.868 0.121 0.000 1.260 176 T HN 0.824 nan 8.240 nan 0.000 0.581 177 S N 0.199 115.929 115.700 0.050 0.000 2.383 177 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 177 S C 1.356 176.007 174.600 0.085 0.000 1.030 177 S CA 1.633 59.833 58.200 0.001 0.000 1.002 177 S CB -1.056 62.146 63.200 0.002 0.000 0.829 177 S HN 0.721 nan 8.310 nan 0.000 0.467 178 D N 2.400 122.900 120.400 0.166 0.000 2.106 178 D HA -0.051 4.589 4.640 -0.000 0.000 0.191 178 D C 2.218 178.632 176.300 0.191 0.000 0.997 178 D CA 1.685 55.820 54.000 0.225 0.000 0.834 178 D CB -1.164 39.721 40.800 0.142 0.000 0.956 178 D HN 0.560 nan 8.370 nan 0.000 0.448 179 G N -0.401 108.471 108.800 0.120 0.000 2.448 179 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 179 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 179 G C 1.473 176.403 174.900 0.049 0.000 1.127 179 G CA 0.316 45.467 45.100 0.084 0.000 0.766 179 G HN 0.263 nan 8.290 nan 0.000 0.552 180 F N 0.991 120.856 119.950 -0.143 0.000 2.154 180 F HA -0.063 4.463 4.527 -0.000 0.000 0.301 180 F C 1.691 177.372 175.800 -0.198 0.000 1.087 180 F CA 1.142 58.989 58.000 -0.255 0.000 1.274 180 F CB -0.083 38.623 39.000 -0.490 0.000 1.009 180 F HN 0.126 nan 8.300 nan 0.000 0.485 181 F N 0.033 120.061 119.950 0.132 0.000 2.797 181 F HA 0.111 4.638 4.527 -0.000 0.000 0.302 181 F C 1.863 177.694 175.800 0.051 0.000 1.130 181 F CA 0.338 58.383 58.000 0.074 0.000 1.387 181 F CB -0.689 38.404 39.000 0.155 0.000 1.107 181 F HN 0.066 nan 8.300 nan 0.000 0.577 182 Q N -0.176 119.716 119.800 0.152 0.000 2.356 182 Q HA 0.184 4.524 4.340 -0.000 0.000 0.205 182 Q C 0.385 176.412 176.000 0.044 0.000 0.901 182 Q CA -0.070 55.794 55.803 0.101 0.000 0.938 182 Q CB 0.488 29.272 28.738 0.076 0.000 1.081 182 Q HN 0.317 nan 8.270 nan 0.000 0.517 183 L N 1.722 122.932 121.223 -0.021 0.000 2.559 183 L HA -0.081 4.259 4.340 -0.000 0.000 0.274 183 L C 1.067 177.931 176.870 -0.010 0.000 1.205 183 L CA 0.339 55.096 54.840 -0.139 0.000 0.907 183 L CB 0.574 42.405 42.059 -0.380 0.000 1.153 183 L HN 0.180 nan 8.230 nan 0.000 0.490 184 E N 1.242 121.369 120.200 -0.123 0.000 2.364 184 E HA 0.062 4.412 4.350 -0.000 0.000 0.196 184 E C -0.005 176.487 176.600 -0.179 0.000 0.990 184 E CA 0.386 56.774 56.400 -0.020 0.000 0.886 184 E CB 0.594 30.282 29.700 -0.020 0.000 0.866 184 E HN 0.430 nan 8.360 nan 0.000 0.493 185 E N -0.260 119.625 120.200 -0.525 0.000 2.392 185 E HA 0.217 4.567 4.350 -0.000 0.000 0.269 185 E C -1.285 174.678 176.600 -1.061 0.000 0.924 185 E CA -1.078 54.955 56.400 -0.611 0.000 0.784 185 E CB 1.750 31.275 29.700 -0.292 0.000 1.292 185 E HN -0.001 nan 8.360 nan 0.000 0.447 186 L N 3.493 124.288 121.223 -0.713 0.000 2.433 186 L HA 0.258 4.598 4.340 -0.000 0.000 0.275 186 L C -2.241 174.421 176.870 -0.346 0.000 1.128 186 L CA -0.919 53.588 54.840 -0.556 0.000 0.875 186 L CB 0.156 42.246 42.059 0.053 0.000 1.171 186 L HN 0.164 nan 8.230 nan 0.000 0.463 187 P HA 0.104 nan 4.420 nan 0.000 0.264 187 P C 0.711 177.948 177.300 -0.104 0.000 1.193 187 P CA 0.167 63.147 63.100 -0.200 0.000 0.763 187 P CB 0.895 32.493 31.700 -0.169 0.000 0.810 188 G N 2.920 111.671 108.800 -0.081 0.000 2.408 188 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.217 188 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.217 188 G C 0.538 175.419 174.900 -0.033 0.000 1.150 188 G CA 0.533 45.607 45.100 -0.044 0.000 0.776 188 G HN 0.509 nan 8.290 nan 0.000 0.542 189 R N 0.024 120.497 120.500 -0.045 0.000 2.510 189 R HA 0.496 4.836 4.340 -0.000 0.000 0.294 189 R C -1.459 174.810 176.300 -0.051 0.000 1.056 189 R CA -0.226 55.850 56.100 -0.039 0.000 0.918 189 R CB 1.398 31.676 30.300 -0.038 0.000 1.187 189 R HN 0.036 nan 8.270 nan 0.000 0.437 190 S N 2.459 118.133 115.700 -0.043 0.000 2.501 190 S HA 0.605 5.075 4.470 -0.000 0.000 0.301 190 S C -1.007 173.553 174.600 -0.068 0.000 1.096 190 S CA -0.809 57.358 58.200 -0.055 0.000 1.063 190 S CB 2.076 65.260 63.200 -0.026 0.000 1.042 190 S HN 0.332 nan 8.310 nan 0.000 0.494 191 V N 4.098 123.950 119.914 -0.104 0.000 2.407 191 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 191 V C -0.806 175.190 176.094 -0.164 0.000 1.018 191 V CA -0.687 61.538 62.300 -0.125 0.000 0.842 191 V CB 1.176 32.912 31.823 -0.146 0.000 0.996 191 V HN 0.734 nan 8.190 nan 0.000 0.426 192 I N 5.735 126.230 120.570 -0.125 0.000 2.331 192 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 192 I C 0.051 176.101 176.117 -0.112 0.000 0.998 192 I CA -0.642 60.582 61.300 -0.126 0.000 1.267 192 I CB 1.582 39.529 38.000 -0.088 0.000 1.386 192 I HN 0.210 nan 8.210 nan 0.000 0.476 193 V N 5.458 125.305 119.914 -0.112 0.000 2.370 193 V HA 0.912 5.031 4.120 -0.000 0.000 0.279 193 V C 0.526 176.661 176.094 0.068 0.000 1.029 193 V CA -0.160 62.135 62.300 -0.007 0.000 0.870 193 V CB 0.786 32.639 31.823 0.050 0.000 0.984 193 V HN 1.111 nan 8.190 nan 0.000 0.451 194 G N 3.700 112.527 108.800 0.045 0.000 2.359 194 G HA2 0.509 4.469 3.960 -0.000 0.000 0.314 194 G HA3 0.509 4.469 3.960 -0.000 0.000 0.314 194 G C -0.330 174.577 174.900 0.012 0.000 1.364 194 G CA 0.092 45.221 45.100 0.049 0.000 0.978 194 G HN 1.204 nan 8.290 nan 0.000 0.615 195 A N -0.787 122.043 122.820 0.017 0.000 2.628 195 A HA 0.776 5.096 4.320 -0.000 0.000 0.267 195 A C 1.107 178.686 177.584 -0.008 0.000 1.159 195 A CA 1.392 53.428 52.037 -0.001 0.000 0.972 195 A CB 0.081 19.091 19.000 0.017 0.000 1.211 195 A HN 2.111 nan 8.150 nan 0.000 0.576 196 G N -1.389 107.414 108.800 0.005 0.000 2.532 196 G HA2 0.363 4.323 3.960 -0.000 0.000 0.291 196 G HA3 0.363 4.323 3.960 -0.000 0.000 0.291 196 G C 0.668 175.569 174.900 0.001 0.000 1.349 196 G CA 0.114 45.238 45.100 0.040 0.000 1.038 196 G HN 0.607 nan 8.290 nan 0.000 0.518 197 Y N -1.108 119.187 120.300 -0.009 0.000 2.274 197 Y HA 0.003 4.553 4.550 -0.001 0.000 0.290 197 Y C 2.267 178.159 175.900 -0.013 0.000 1.145 197 Y CA 1.235 59.311 58.100 -0.039 0.000 1.203 197 Y CB -0.357 38.122 38.460 0.032 0.000 0.984 197 Y HN 0.217 nan 8.280 nan 0.000 0.533 198 I N 1.024 121.127 120.570 -0.779 0.000 2.252 198 I HA -0.263 3.906 4.170 -0.000 0.000 0.245 198 I C 2.838 178.795 176.117 -0.267 0.000 1.102 198 I CA 1.224 62.169 61.300 -0.593 0.000 1.385 198 I CB -0.680 36.981 38.000 -0.565 0.000 1.064 198 I HN 0.446 nan 8.210 nan 0.000 0.414 199 A N 0.481 123.190 122.820 -0.186 0.000 1.877 199 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 199 A C 2.430 179.959 177.584 -0.091 0.000 1.186 199 A CA 1.826 53.793 52.037 -0.116 0.000 0.620 199 A CB -1.031 17.927 19.000 -0.069 0.000 0.822 199 A HN 0.227 nan 8.150 nan 0.000 0.443 200 V N 0.162 120.033 119.914 -0.070 0.000 2.287 200 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 200 V C 2.467 178.561 176.094 0.001 0.000 1.053 200 V CA 2.437 64.716 62.300 -0.035 0.000 1.027 200 V CB -0.901 30.895 31.823 -0.046 0.000 0.646 200 V HN 0.643 nan 8.190 nan 0.000 0.447 201 E N -0.639 119.558 120.200 -0.004 0.000 2.077 201 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 201 E C 2.321 178.922 176.600 0.002 0.000 0.989 201 E CA 1.432 57.859 56.400 0.046 0.000 0.800 201 E CB -0.185 29.553 29.700 0.064 0.000 0.746 201 E HN 0.438 nan 8.360 nan 0.000 0.452 202 M N 0.199 119.718 119.600 -0.136 0.000 2.117 202 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 202 M C 2.528 178.764 176.300 -0.107 0.000 1.065 202 M CA 1.181 56.317 55.300 -0.274 0.000 1.114 202 M CB -0.938 31.424 32.600 -0.396 0.000 1.361 202 M HN 0.096 nan 8.290 nan 0.000 0.408 203 A N 0.484 123.274 122.820 -0.051 0.000 1.933 203 A HA -0.030 4.289 4.320 -0.000 0.000 0.218 203 A C 2.441 180.057 177.584 0.052 0.000 1.175 203 A CA 2.033 54.069 52.037 -0.002 0.000 0.628 203 A CB -1.385 17.610 19.000 -0.008 0.000 0.814 203 A HN 0.534 nan 8.150 nan 0.000 0.444 204 G N -0.278 108.591 108.800 0.114 0.000 2.394 204 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.215 204 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.215 204 G C 1.527 176.533 174.900 0.177 0.000 1.165 204 G CA 0.965 46.200 45.100 0.225 0.000 0.784 204 G HN 0.453 nan 8.290 nan 0.000 0.535 205 I N 0.256 120.961 120.570 0.225 0.000 2.142 205 I HA -0.134 4.036 4.170 -0.000 0.000 0.240 205 I C 2.740 178.934 176.117 0.129 0.000 1.078 205 I CA 0.788 62.198 61.300 0.183 0.000 1.343 205 I CB -0.172 37.967 38.000 0.232 0.000 1.046 205 I HN 0.112 nan 8.210 nan 0.000 0.405 206 L N -0.494 120.830 121.223 0.169 0.000 2.046 206 L HA -0.236 4.103 4.340 -0.000 0.000 0.208 206 L C 2.724 179.652 176.870 0.097 0.000 1.077 206 L CA 1.402 56.361 54.840 0.198 0.000 0.747 206 L CB -0.473 41.695 42.059 0.182 0.000 0.896 206 L HN 0.222 nan 8.230 nan 0.000 0.432 207 S N -0.667 115.059 115.700 0.044 0.000 2.368 207 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 207 S C 2.125 176.709 174.600 -0.027 0.000 1.029 207 S CA 1.161 59.368 58.200 0.011 0.000 0.988 207 S CB -0.106 63.096 63.200 0.003 0.000 0.838 207 S HN 0.453 nan 8.310 nan 0.000 0.462 208 A N 1.255 124.013 122.820 -0.104 0.000 1.908 208 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 208 A C 2.027 179.513 177.584 -0.163 0.000 1.181 208 A CA 1.408 53.323 52.037 -0.203 0.000 0.627 208 A CB -0.672 18.075 19.000 -0.422 0.000 0.818 208 A HN 0.584 nan 8.150 nan 0.000 0.445 209 L N -2.015 119.127 121.223 -0.135 0.000 2.492 209 L HA 0.209 4.548 4.340 -0.000 0.000 0.223 209 L C 1.593 178.478 176.870 0.025 0.000 1.132 209 L CA 0.624 55.361 54.840 -0.171 0.000 0.850 209 L CB -0.080 41.860 42.059 -0.198 0.000 0.966 209 L HN 0.617 nan 8.230 nan 0.000 0.454 210 G N -0.728 108.103 108.800 0.052 0.000 2.173 210 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.142 210 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.142 210 G C 0.223 175.163 174.900 0.068 0.000 1.019 210 G CA 0.024 45.168 45.100 0.073 0.000 0.699 210 G HN 0.156 nan 8.290 nan 0.000 0.495 211 S N 0.617 116.359 115.700 0.070 0.000 2.549 211 S HA 0.427 4.897 4.470 -0.000 0.000 0.279 211 S C 0.694 175.308 174.600 0.023 0.000 1.321 211 S CA -0.216 58.009 58.200 0.042 0.000 1.054 211 S CB 0.568 63.796 63.200 0.048 0.000 0.899 211 S HN 0.234 nan 8.310 nan 0.000 0.497 212 K N 4.126 124.531 120.400 0.008 0.000 2.294 212 K HA 0.095 4.415 4.320 -0.000 0.000 0.288 212 K C -0.428 176.168 176.600 -0.007 0.000 1.072 212 K CA 0.264 56.551 56.287 0.000 0.000 0.960 212 K CB -0.115 32.382 32.500 -0.006 0.000 1.043 212 K HN 0.601 nan 8.250 nan 0.000 0.455 213 T N 1.748 116.299 114.554 -0.004 0.000 2.794 213 T HA 0.309 4.659 4.350 -0.000 0.000 0.280 213 T C -0.238 174.452 174.700 -0.017 0.000 0.987 213 T CA -0.591 61.504 62.100 -0.009 0.000 0.993 213 T CB 1.369 70.239 68.868 0.002 0.000 0.939 213 T HN 0.271 nan 8.240 nan 0.000 0.449 214 S N 2.285 117.968 115.700 -0.029 0.000 2.532 214 S HA 0.692 5.162 4.470 -0.000 0.000 0.301 214 S C -0.966 173.610 174.600 -0.040 0.000 1.083 214 S CA -0.831 57.350 58.200 -0.031 0.000 1.025 214 S CB 1.461 64.640 63.200 -0.035 0.000 1.056 214 S HN 0.596 nan 8.310 nan 0.000 0.494 215 L N 2.855 124.057 121.223 -0.034 0.000 2.325 215 L HA 0.634 4.974 4.340 -0.000 0.000 0.281 215 L C -0.805 176.043 176.870 -0.037 0.000 1.004 215 L CA -0.445 54.372 54.840 -0.039 0.000 0.823 215 L CB 1.335 43.374 42.059 -0.033 0.000 1.236 215 L HN 0.818 nan 8.230 nan 0.000 0.415 216 M N 7.361 126.938 119.600 -0.038 0.000 2.101 216 M HA 0.569 5.049 4.480 -0.000 0.000 0.340 216 M C -1.191 175.100 176.300 -0.015 0.000 1.057 216 M CA -0.530 54.754 55.300 -0.027 0.000 0.984 216 M CB 0.656 33.240 32.600 -0.027 0.000 1.560 216 M HN 0.686 nan 8.290 nan 0.000 0.435 217 I N 1.134 121.685 120.570 -0.032 0.000 2.785 217 I HA 0.531 4.701 4.170 -0.000 0.000 0.302 217 I C 0.121 176.190 176.117 -0.080 0.000 1.069 217 I CA -0.971 60.307 61.300 -0.038 0.000 1.045 217 I CB 2.144 40.111 38.000 -0.055 0.000 1.236 217 I HN 0.690 nan 8.210 nan 0.000 0.429 218 R N 1.247 121.705 120.500 -0.070 0.000 2.193 218 R HA 0.183 4.523 4.340 -0.000 0.000 0.213 218 R C 0.499 176.509 176.300 -0.484 0.000 1.055 218 R CA 0.808 56.789 56.100 -0.198 0.000 0.995 218 R CB -0.123 30.065 30.300 -0.187 0.000 0.893 218 R HN 0.685 nan 8.270 nan 0.000 0.459 219 H N -1.003 117.874 119.070 -0.321 0.000 3.878 219 H HA 0.104 4.659 4.556 -0.001 0.000 0.332 219 H C 0.320 175.021 175.328 -1.045 0.000 1.613 219 H CA -0.347 55.284 56.048 -0.694 0.000 1.413 219 H CB 0.420 30.017 29.762 -0.275 0.000 1.066 219 H HN 0.026 nan 8.280 nan 0.000 0.797 220 D N 0.119 120.149 120.400 -0.616 0.000 2.392 220 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 220 D C 0.178 176.369 176.300 -0.182 0.000 1.046 220 D CA 0.426 54.150 54.000 -0.458 0.000 0.865 220 D CB 1.180 41.882 40.800 -0.163 0.000 0.969 220 D HN 0.140 nan 8.370 nan 0.000 0.509 221 K N 0.431 120.753 120.400 -0.129 0.000 2.477 221 K HA 0.456 4.776 4.320 -0.000 0.000 0.255 221 K C -0.505 176.050 176.600 -0.074 0.000 0.952 221 K CA -1.038 55.200 56.287 -0.081 0.000 0.826 221 K CB 3.435 35.900 32.500 -0.058 0.000 1.331 221 K HN -0.069 nan 8.250 nan 0.000 0.437 222 V N -0.577 119.294 119.914 -0.073 0.000 3.036 222 V HA 0.412 4.531 4.120 -0.000 0.000 0.308 222 V C 0.464 176.494 176.094 -0.106 0.000 1.070 222 V CA -0.837 61.415 62.300 -0.080 0.000 1.056 222 V CB 0.279 32.049 31.823 -0.088 0.000 1.084 222 V HN 0.851 nan 8.190 nan 0.000 0.471 223 L N -0.020 121.130 121.223 -0.122 0.000 3.713 223 L HA -0.172 4.168 4.340 -0.000 0.000 0.499 223 L C 1.596 178.474 176.870 0.013 0.000 1.281 223 L CA 0.455 55.181 54.840 -0.191 0.000 0.796 223 L CB -1.123 40.558 42.059 -0.631 0.000 1.535 223 L HN 0.831 nan 8.230 nan 0.000 0.851 224 R N 0.073 120.601 120.500 0.046 0.000 2.275 224 R HA -0.019 4.320 4.340 -0.000 0.000 0.199 224 R C 2.062 178.408 176.300 0.076 0.000 0.989 224 R CA 1.089 57.201 56.100 0.020 0.000 1.016 224 R CB 0.133 30.391 30.300 -0.070 0.000 0.918 224 R HN 0.721 nan 8.270 nan 0.000 0.473 225 S N -0.440 115.371 115.700 0.185 0.000 2.558 225 S HA 0.078 4.548 4.470 -0.000 0.000 0.217 225 S C 0.471 175.151 174.600 0.134 0.000 0.975 225 S CA -0.128 58.158 58.200 0.142 0.000 0.912 225 S CB -0.028 63.245 63.200 0.123 0.000 0.776 225 S HN -0.057 nan 8.310 nan 0.000 0.526 226 F N 2.652 122.578 119.950 -0.041 0.000 2.368 226 F HA 0.413 4.939 4.527 -0.001 0.000 0.315 226 F C 0.940 176.670 175.800 -0.116 0.000 1.145 226 F CA -2.037 55.928 58.000 -0.058 0.000 1.095 226 F CB 0.151 39.128 39.000 -0.039 0.000 1.286 226 F HN 0.061 nan 8.300 nan 0.000 0.530 227 D N 0.327 120.699 120.400 -0.047 0.000 2.472 227 D HA -0.077 4.563 4.640 -0.000 0.000 0.237 227 D C 1.133 177.386 176.300 -0.079 0.000 1.141 227 D CA 0.439 54.306 54.000 -0.221 0.000 0.875 227 D CB 1.077 41.473 40.800 -0.674 0.000 1.192 227 D HN 0.626 nan 8.370 nan 0.000 0.450 228 S N 3.702 119.359 115.700 -0.071 0.000 2.447 228 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 228 S C 2.103 176.687 174.600 -0.026 0.000 1.006 228 S CA 0.533 58.714 58.200 -0.033 0.000 0.957 228 S CB -0.175 63.008 63.200 -0.029 0.000 0.773 228 S HN 0.679 nan 8.310 nan 0.000 0.507 229 M N 0.723 120.303 119.600 -0.035 0.000 2.080 229 M HA -0.083 4.397 4.480 -0.000 0.000 0.260 229 M C 1.653 177.950 176.300 -0.004 0.000 1.068 229 M CA 1.701 56.993 55.300 -0.013 0.000 1.109 229 M CB -0.288 32.310 32.600 -0.004 0.000 1.342 229 M HN 0.309 nan 8.290 nan 0.000 0.405 230 I N -0.649 119.922 120.570 0.003 0.000 2.163 230 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 230 I C 2.622 178.723 176.117 -0.026 0.000 1.081 230 I CA 1.306 62.615 61.300 0.015 0.000 1.353 230 I CB -1.756 36.297 38.000 0.089 0.000 1.054 230 I HN 0.350 nan 8.210 nan 0.000 0.407 231 S N 0.337 116.025 115.700 -0.020 0.000 2.372 231 S HA -0.236 4.234 4.470 -0.000 0.000 0.227 231 S C 2.114 176.688 174.600 -0.043 0.000 1.044 231 S CA 2.584 60.756 58.200 -0.047 0.000 1.050 231 S CB -0.248 62.940 63.200 -0.020 0.000 0.901 231 S HN 0.512 nan 8.310 nan 0.000 0.447 232 T N 1.242 115.781 114.554 -0.025 0.000 2.732 232 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 232 T C 1.767 176.457 174.700 -0.017 0.000 1.040 232 T CA 1.541 63.630 62.100 -0.018 0.000 1.145 232 T CB -0.680 68.183 68.868 -0.008 0.000 0.866 232 T HN 0.582 nan 8.240 nan 0.000 0.427 233 N N 0.134 118.825 118.700 -0.014 0.000 2.223 233 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 233 N C 2.008 177.508 175.510 -0.016 0.000 1.016 233 N CA 1.076 54.120 53.050 -0.011 0.000 0.863 233 N CB -0.556 37.927 38.487 -0.006 0.000 0.983 233 N HN 0.388 nan 8.380 nan 0.000 0.429 234 C N -0.641 118.641 119.300 -0.031 0.000 2.457 234 C HA 0.025 4.485 4.460 -0.000 0.000 0.278 234 C C 2.462 177.434 174.990 -0.031 0.000 1.309 234 C CA 1.367 60.362 59.018 -0.039 0.000 1.735 234 C CB -1.473 26.216 27.740 -0.085 0.000 1.992 234 C HN 0.509 nan 8.230 nan 0.000 0.493 235 T N 0.420 114.952 114.554 -0.036 0.000 2.788 235 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 235 T C 1.595 176.287 174.700 -0.014 0.000 1.044 235 T CA 1.822 63.904 62.100 -0.030 0.000 1.139 235 T CB -0.325 68.522 68.868 -0.035 0.000 0.867 235 T HN 0.679 nan 8.240 nan 0.000 0.454 236 E N 0.605 120.800 120.200 -0.009 0.000 2.072 236 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 236 E C 2.454 179.056 176.600 0.004 0.000 0.985 236 E CA 0.777 57.176 56.400 -0.002 0.000 0.801 236 E CB 0.019 29.718 29.700 -0.001 0.000 0.750 236 E HN 0.400 nan 8.360 nan 0.000 0.452 237 E N 0.456 120.661 120.200 0.007 0.000 2.208 237 E HA -0.116 4.233 4.350 -0.000 0.000 0.193 237 E C 2.197 178.816 176.600 0.031 0.000 0.988 237 E CA 0.436 56.849 56.400 0.022 0.000 0.828 237 E CB 0.044 29.763 29.700 0.032 0.000 0.763 237 E HN 0.312 nan 8.360 nan 0.000 0.478 238 L N 0.960 122.197 121.223 0.023 0.000 2.027 238 L HA -0.181 4.158 4.340 -0.000 0.000 0.206 238 L C 2.379 179.259 176.870 0.016 0.000 1.074 238 L CA 1.193 56.048 54.840 0.025 0.000 0.745 238 L CB -0.326 41.740 42.059 0.011 0.000 0.898 238 L HN 0.082 nan 8.230 nan 0.000 0.433 239 E N 0.007 120.211 120.200 0.008 0.000 2.085 239 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 239 E C 1.840 178.444 176.600 0.008 0.000 0.994 239 E CA 1.318 57.721 56.400 0.005 0.000 0.801 239 E CB -0.281 29.421 29.700 0.003 0.000 0.743 239 E HN 0.480 nan 8.360 nan 0.000 0.453 240 N N 0.677 119.382 118.700 0.010 0.000 2.244 240 N HA -0.086 4.653 4.740 -0.000 0.000 0.183 240 N C 1.468 176.986 175.510 0.013 0.000 1.016 240 N CA 1.155 54.210 53.050 0.009 0.000 0.866 240 N CB -0.163 38.328 38.487 0.007 0.000 0.980 240 N HN 0.135 nan 8.380 nan 0.000 0.430 241 A N -0.428 122.405 122.820 0.021 0.000 2.238 241 A HA 0.402 4.722 4.320 -0.000 0.000 0.208 241 A C 1.394 178.986 177.584 0.013 0.000 1.177 241 A CA 0.843 52.893 52.037 0.022 0.000 0.804 241 A CB -0.288 18.728 19.000 0.026 0.000 0.823 241 A HN 0.317 nan 8.150 nan 0.000 0.482 242 G N -1.620 107.186 108.800 0.009 0.000 2.144 242 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 242 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 242 G C 0.079 174.982 174.900 0.004 0.000 0.988 242 G CA -0.020 45.083 45.100 0.005 0.000 0.659 242 G HN 0.714 nan 8.290 nan 0.000 0.522 243 V N 1.168 121.086 119.914 0.006 0.000 2.508 243 V HA 0.310 4.430 4.120 -0.000 0.000 0.281 243 V C 0.937 177.031 176.094 -0.001 0.000 1.041 243 V CA 0.046 62.348 62.300 0.003 0.000 1.016 243 V CB 1.616 33.444 31.823 0.008 0.000 0.984 243 V HN 0.441 nan 8.190 nan 0.000 0.478 244 E N 4.597 124.794 120.200 -0.005 0.000 2.104 244 E HA 0.222 4.572 4.350 -0.000 0.000 0.278 244 E C -0.901 175.693 176.600 -0.011 0.000 1.127 244 E CA -0.431 55.965 56.400 -0.006 0.000 0.897 244 E CB 0.968 30.663 29.700 -0.008 0.000 1.043 244 E HN 0.530 nan 8.360 nan 0.000 0.410 245 V N 7.209 127.117 119.914 -0.010 0.000 2.368 245 V HA 0.120 4.240 4.120 -0.000 0.000 0.266 245 V C 0.254 176.340 176.094 -0.013 0.000 1.045 245 V CA -0.355 61.935 62.300 -0.017 0.000 0.899 245 V CB 0.688 32.498 31.823 -0.022 0.000 1.006 245 V HN 0.640 nan 8.190 nan 0.000 0.470 246 L N 6.651 127.864 121.223 -0.016 0.000 2.302 246 L HA 0.390 4.730 4.340 -0.000 0.000 0.285 246 L C 0.492 177.354 176.870 -0.014 0.000 1.090 246 L CA -0.176 54.661 54.840 -0.004 0.000 0.866 246 L CB 0.133 42.189 42.059 -0.005 0.000 1.244 246 L HN 0.538 nan 8.230 nan 0.000 0.435 247 K N 3.158 123.556 120.400 -0.004 0.000 2.185 247 K HA 0.341 4.661 4.320 -0.000 0.000 0.271 247 K C -0.164 176.463 176.600 0.045 0.000 1.013 247 K CA -0.617 55.626 56.287 -0.075 0.000 0.943 247 K CB 0.566 33.027 32.500 -0.065 0.000 0.998 247 K HN 0.274 nan 8.250 nan 0.000 0.468 248 F N -0.355 119.587 119.950 -0.014 0.000 3.091 248 F HA -0.273 4.253 4.527 -0.001 0.000 0.288 248 F C -0.264 175.511 175.800 -0.042 0.000 0.907 248 F CA 0.384 58.356 58.000 -0.046 0.000 1.028 248 F CB -2.041 36.941 39.000 -0.031 0.000 1.022 248 F HN 0.298 nan 8.300 nan 0.000 0.665 249 S N -0.315 115.426 115.700 0.069 0.000 2.568 249 S HA 0.833 5.303 4.470 -0.000 0.000 0.293 249 S C -0.456 174.167 174.600 0.038 0.000 1.089 249 S CA -0.929 57.304 58.200 0.054 0.000 0.945 249 S CB 3.208 66.431 63.200 0.039 0.000 1.077 249 S HN 0.260 nan 8.310 nan 0.000 0.485 250 Q N 0.998 120.827 119.800 0.049 0.000 2.320 250 Q HA 0.400 4.740 4.340 -0.000 0.000 0.272 250 Q C -1.467 174.581 176.000 0.080 0.000 1.023 250 Q CA -0.690 55.153 55.803 0.067 0.000 0.855 250 Q CB 2.351 31.123 28.738 0.057 0.000 1.367 250 Q HN 0.478 nan 8.270 nan 0.000 0.406 251 V N 3.094 123.085 119.914 0.129 0.000 2.572 251 V HA 0.063 4.182 4.120 -0.000 0.000 0.291 251 V C 0.808 176.982 176.094 0.133 0.000 1.039 251 V CA 0.287 62.673 62.300 0.142 0.000 1.055 251 V CB 0.908 32.880 31.823 0.247 0.000 0.969 251 V HN 0.703 nan 8.190 nan 0.000 0.482 252 K N 2.827 123.284 120.400 0.095 0.000 2.350 252 K HA 0.237 4.557 4.320 -0.000 0.000 0.196 252 K C 0.445 177.092 176.600 0.079 0.000 1.084 252 K CA 0.471 56.803 56.287 0.075 0.000 0.967 252 K CB 0.829 33.358 32.500 0.049 0.000 0.950 252 K HN 0.990 nan 8.250 nan 0.000 0.512 253 E N -1.126 119.124 120.200 0.083 0.000 2.417 253 E HA 0.338 4.687 4.350 -0.000 0.000 0.280 253 E C -1.344 175.303 176.600 0.079 0.000 1.112 253 E CA -0.919 55.535 56.400 0.090 0.000 0.863 253 E CB 1.363 31.100 29.700 0.062 0.000 1.346 253 E HN -0.247 nan 8.360 nan 0.000 0.443 254 V N 0.799 120.764 119.914 0.085 0.000 2.638 254 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 254 V C -0.671 175.450 176.094 0.045 0.000 1.052 254 V CA -0.866 61.471 62.300 0.060 0.000 0.885 254 V CB 1.659 33.532 31.823 0.084 0.000 0.999 254 V HN 0.548 nan 8.190 nan 0.000 0.424 255 K N 2.546 122.960 120.400 0.023 0.000 2.316 255 K HA 0.553 4.873 4.320 -0.000 0.000 0.251 255 K C -0.867 175.738 176.600 0.008 0.000 0.934 255 K CA -1.042 55.256 56.287 0.017 0.000 0.802 255 K CB 3.063 35.571 32.500 0.013 0.000 1.171 255 K HN 0.521 nan 8.250 nan 0.000 0.426 256 K N 1.620 122.024 120.400 0.007 0.000 2.322 256 K HA 0.090 4.409 4.320 -0.000 0.000 0.283 256 K C 0.151 176.749 176.600 -0.002 0.000 1.042 256 K CA 0.195 56.482 56.287 0.000 0.000 0.958 256 K CB 0.675 33.176 32.500 0.002 0.000 0.984 256 K HN 0.783 nan 8.250 nan 0.000 0.473 257 T N -0.139 114.411 114.554 -0.008 0.000 2.762 257 T HA 0.298 4.648 4.350 -0.000 0.000 0.272 257 T C 1.172 175.865 174.700 -0.010 0.000 0.982 257 T CA -0.868 61.228 62.100 -0.008 0.000 1.013 257 T CB 0.353 69.216 68.868 -0.009 0.000 1.309 257 T HN 0.444 nan 8.240 nan 0.000 0.572 258 L N 0.810 122.027 121.223 -0.010 0.000 2.217 258 L HA 0.097 4.437 4.340 -0.000 0.000 0.211 258 L C 2.236 179.097 176.870 -0.015 0.000 1.107 258 L CA 1.246 56.080 54.840 -0.011 0.000 0.783 258 L CB -0.279 41.774 42.059 -0.010 0.000 0.919 258 L HN 0.865 nan 8.230 nan 0.000 0.442 259 S N -1.382 114.308 115.700 -0.017 0.000 2.601 259 S HA 0.585 5.054 4.470 -0.000 0.000 0.244 259 S C 0.512 175.097 174.600 -0.025 0.000 1.001 259 S CA -0.023 58.165 58.200 -0.020 0.000 0.984 259 S CB 0.695 63.885 63.200 -0.018 0.000 0.842 259 S HN 0.482 nan 8.310 nan 0.000 0.474 260 G N 1.178 109.962 108.800 -0.026 0.000 2.255 260 G HA2 0.048 4.008 3.960 -0.000 0.000 0.216 260 G HA3 0.048 4.008 3.960 -0.000 0.000 0.216 260 G C -1.316 173.567 174.900 -0.028 0.000 1.307 260 G CA -0.803 44.278 45.100 -0.032 0.000 1.162 260 G HN 0.381 nan 8.290 nan 0.000 0.494 261 L N 0.950 122.152 121.223 -0.035 0.000 2.379 261 L HA 0.689 5.029 4.340 -0.000 0.000 0.269 261 L C 0.446 177.298 176.870 -0.030 0.000 1.084 261 L CA -0.606 54.215 54.840 -0.032 0.000 0.802 261 L CB 1.629 43.661 42.059 -0.045 0.000 1.175 261 L HN 0.823 nan 8.230 nan 0.000 0.448 262 E N 1.467 121.655 120.200 -0.021 0.000 2.199 262 E HA 0.476 4.825 4.350 -0.000 0.000 0.265 262 E C -1.797 174.794 176.600 -0.015 0.000 0.882 262 E CA -0.666 55.722 56.400 -0.018 0.000 0.759 262 E CB 2.187 31.881 29.700 -0.010 0.000 1.148 262 E HN 0.298 nan 8.360 nan 0.000 0.412 263 V N 3.844 123.744 119.914 -0.023 0.000 2.370 263 V HA 0.255 4.374 4.120 -0.000 0.000 0.283 263 V C -0.311 175.780 176.094 -0.005 0.000 1.023 263 V CA -0.618 61.669 62.300 -0.022 0.000 0.857 263 V CB 1.647 33.437 31.823 -0.056 0.000 0.985 263 V HN 0.724 nan 8.190 nan 0.000 0.443 264 S N 7.508 123.215 115.700 0.013 0.000 2.465 264 S HA 0.614 5.084 4.470 -0.000 0.000 0.279 264 S C -0.143 174.473 174.600 0.026 0.000 1.201 264 S CA -0.495 57.716 58.200 0.019 0.000 1.053 264 S CB 0.498 63.714 63.200 0.026 0.000 0.953 264 S HN 0.755 nan 8.310 nan 0.000 0.488 265 M N 1.607 121.219 119.600 0.020 0.000 2.528 265 M HA 0.696 5.176 4.480 -0.000 0.000 0.321 265 M C -1.142 175.174 176.300 0.027 0.000 1.153 265 M CA -1.044 54.272 55.300 0.028 0.000 0.951 265 M CB 1.201 33.814 32.600 0.021 0.000 1.705 265 M HN 0.137 nan 8.290 nan 0.000 0.451 266 V N 2.051 121.984 119.914 0.033 0.000 2.498 266 V HA 0.313 4.433 4.120 -0.000 0.000 0.279 266 V C 0.132 176.250 176.094 0.039 0.000 1.048 266 V CA -0.150 62.168 62.300 0.030 0.000 0.967 266 V CB 1.184 33.024 31.823 0.028 0.000 0.988 266 V HN 0.975 nan 8.190 nan 0.000 0.473 267 T N 4.473 119.050 114.554 0.038 0.000 2.749 267 T HA 0.597 4.947 4.350 -0.000 0.000 0.287 267 T C 0.206 174.929 174.700 0.039 0.000 0.970 267 T CA -0.177 61.958 62.100 0.058 0.000 0.980 267 T CB 1.362 70.266 68.868 0.059 0.000 0.924 267 T HN 0.857 nan 8.240 nan 0.000 0.456 268 A N 3.667 126.516 122.820 0.048 0.000 3.105 268 A HA 0.557 4.877 4.320 -0.000 0.000 0.336 268 A C 0.122 177.618 177.584 -0.147 0.000 1.042 268 A CA -0.579 51.443 52.037 -0.024 0.000 0.851 268 A CB 0.032 19.024 19.000 -0.014 0.000 1.068 268 A HN 0.685 nan 8.150 nan 0.000 0.477 269 V N 2.596 122.402 119.914 -0.180 0.000 2.450 269 V HA 0.124 4.244 4.120 -0.000 0.000 0.281 269 V C -1.929 173.920 176.094 -0.408 0.000 1.019 269 V CA -0.952 61.084 62.300 -0.441 0.000 1.062 269 V CB 0.057 31.762 31.823 -0.197 0.000 0.979 269 V HN 0.659 nan 8.190 nan 0.000 0.477 270 P HA -0.184 nan 4.420 nan 0.000 0.242 270 P C 0.976 178.158 177.300 -0.197 0.000 1.069 270 P CA 1.878 64.767 63.100 -0.352 0.000 0.793 270 P CB -0.413 31.042 31.700 -0.408 0.000 0.679 271 G N 1.921 110.642 108.800 -0.132 0.000 2.160 271 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.251 271 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.251 271 G C 0.228 175.084 174.900 -0.073 0.000 1.008 271 G CA -0.079 44.971 45.100 -0.083 0.000 0.724 271 G HN 0.656 nan 8.290 nan 0.000 0.514 272 R N -1.532 118.916 120.500 -0.086 0.000 2.905 272 R HA 0.669 5.009 4.340 -0.000 0.000 0.260 272 R C -0.049 176.218 176.300 -0.056 0.000 1.086 272 R CA -1.082 54.981 56.100 -0.062 0.000 0.978 272 R CB 1.056 31.319 30.300 -0.062 0.000 1.215 272 R HN 0.125 nan 8.270 nan 0.000 0.480 273 L N 2.531 123.731 121.223 -0.038 0.000 2.349 273 L HA 0.312 4.651 4.340 -0.000 0.000 0.275 273 L C -1.951 174.902 176.870 -0.028 0.000 1.115 273 L CA -1.848 52.975 54.840 -0.030 0.000 0.820 273 L CB 0.812 42.859 42.059 -0.020 0.000 1.135 273 L HN 0.249 nan 8.230 nan 0.000 0.445 274 P HA 0.019 nan 4.420 nan 0.000 0.264 274 P C -0.925 176.371 177.300 -0.006 0.000 1.193 274 P CA 0.049 63.140 63.100 -0.015 0.000 0.763 274 P CB 0.803 32.495 31.700 -0.012 0.000 0.810 275 V N 4.909 124.824 119.914 0.001 0.000 2.588 275 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 275 V C -0.789 175.311 176.094 0.010 0.000 1.042 275 V CA -0.855 61.448 62.300 0.004 0.000 0.877 275 V CB 1.813 33.638 31.823 0.004 0.000 0.996 275 V HN 0.368 nan 8.190 nan 0.000 0.425 276 M N 5.969 125.574 119.600 0.009 0.000 2.157 276 M HA 0.515 4.995 4.480 -0.000 0.000 0.354 276 M C -0.114 176.192 176.300 0.010 0.000 1.170 276 M CA 0.040 55.347 55.300 0.011 0.000 1.060 276 M CB 1.395 34.002 32.600 0.010 0.000 1.615 276 M HN 1.018 nan 8.290 nan 0.000 0.460 277 T N 1.765 116.325 114.554 0.011 0.000 2.887 277 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 277 T C -0.732 173.971 174.700 0.005 0.000 1.087 277 T CA -0.965 61.139 62.100 0.007 0.000 1.009 277 T CB 2.291 71.163 68.868 0.006 0.000 1.203 277 T HN 0.632 nan 8.240 nan 0.000 0.518 278 M N 1.467 121.068 119.600 0.001 0.000 2.253 278 M HA 0.549 5.029 4.480 -0.000 0.000 0.314 278 M C -1.232 175.064 176.300 -0.008 0.000 1.019 278 M CA -0.701 54.598 55.300 -0.002 0.000 0.932 278 M CB 1.469 34.068 32.600 -0.001 0.000 1.606 278 M HN 0.550 nan 8.290 nan 0.000 0.430 279 I N 6.693 127.255 120.570 -0.014 0.000 2.291 279 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 279 I C -2.164 173.939 176.117 -0.024 0.000 1.050 279 I CA -1.769 59.519 61.300 -0.021 0.000 1.245 279 I CB 0.432 38.414 38.000 -0.031 0.000 1.405 279 I HN 0.387 nan 8.210 nan 0.000 0.478 280 P HA 0.249 nan 4.420 nan 0.000 0.281 280 P C -0.617 176.668 177.300 -0.026 0.000 1.264 280 P CA -0.062 63.026 63.100 -0.020 0.000 0.824 280 P CB 0.944 32.635 31.700 -0.015 0.000 1.092 281 D N -2.033 118.351 120.400 -0.026 0.000 2.947 281 D HA -0.098 4.542 4.640 -0.000 0.000 0.224 281 D C -0.610 175.667 176.300 -0.038 0.000 1.132 281 D CA 0.632 54.614 54.000 -0.029 0.000 0.801 281 D CB -2.006 38.779 40.800 -0.024 0.000 1.097 281 D HN 0.058 nan 8.370 nan 0.000 0.431 282 V N 1.243 121.130 119.914 -0.045 0.000 2.364 282 V HA 0.142 4.262 4.120 -0.000 0.000 0.272 282 V C 1.284 177.339 176.094 -0.064 0.000 1.036 282 V CA -0.374 61.891 62.300 -0.058 0.000 0.880 282 V CB 1.739 33.520 31.823 -0.070 0.000 0.991 282 V HN 0.010 nan 8.190 nan 0.000 0.460 283 D N 2.278 122.636 120.400 -0.069 0.000 2.249 283 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 283 D C 0.602 176.847 176.300 -0.091 0.000 0.962 283 D CA 0.864 54.816 54.000 -0.079 0.000 0.860 283 D CB 0.587 41.334 40.800 -0.087 0.000 0.955 283 D HN 0.527 nan 8.370 nan 0.000 0.505 284 C N 1.706 120.948 119.300 -0.096 0.000 2.442 284 C HA 0.540 5.000 4.460 -0.000 0.000 0.335 284 C C -1.081 173.831 174.990 -0.131 0.000 1.134 284 C CA -0.976 57.980 59.018 -0.103 0.000 1.344 284 C CB -0.429 27.256 27.740 -0.091 0.000 1.956 284 C HN 0.128 nan 8.230 nan 0.000 0.438 285 L N 6.591 127.710 121.223 -0.174 0.000 2.272 285 L HA 0.765 5.105 4.340 -0.000 0.000 0.289 285 L C -0.852 175.799 176.870 -0.365 0.000 1.032 285 L CA -0.105 54.555 54.840 -0.299 0.000 0.810 285 L CB 1.254 43.093 42.059 -0.367 0.000 1.205 285 L HN 0.765 nan 8.230 nan 0.000 0.422 286 L N 5.633 126.640 121.223 -0.361 0.000 2.316 286 L HA 0.515 4.854 4.340 -0.000 0.000 0.280 286 L C -1.382 175.343 176.870 -0.243 0.000 1.006 286 L CA -0.131 54.568 54.840 -0.234 0.000 0.836 286 L CB 0.946 42.940 42.059 -0.110 0.000 1.221 286 L HN 0.637 nan 8.230 nan 0.000 0.418 287 W N 5.349 126.636 121.300 -0.021 0.000 2.388 287 W HA 0.539 5.199 4.660 -0.000 0.000 0.308 287 W C 0.344 176.841 176.519 -0.037 0.000 1.263 287 W CA -0.667 56.663 57.345 -0.024 0.000 1.286 287 W CB 1.092 30.542 29.460 -0.017 0.000 1.294 287 W HN 0.633 nan 8.180 nan 0.000 0.493 288 A N 5.543 128.475 122.820 0.187 0.000 3.105 288 A HA 0.373 4.693 4.320 -0.000 0.000 0.336 288 A C 0.268 177.898 177.584 0.077 0.000 1.042 288 A CA -0.491 51.590 52.037 0.075 0.000 0.851 288 A CB -0.567 18.418 19.000 -0.025 0.000 1.068 288 A HN 0.818 nan 8.150 nan 0.000 0.477 289 I N -2.764 117.868 120.570 0.103 0.000 4.082 289 I HA 0.652 4.822 4.170 -0.000 0.000 0.337 289 I C 0.559 176.709 176.117 0.056 0.000 1.352 289 I CA 0.092 61.444 61.300 0.086 0.000 1.097 289 I CB 0.726 38.782 38.000 0.093 0.000 1.048 289 I HN 0.527 nan 8.210 nan 0.000 0.393 290 G N 1.493 110.321 108.800 0.048 0.000 2.361 290 G HA2 0.227 4.187 3.960 -0.000 0.000 0.305 290 G HA3 0.227 4.187 3.960 -0.000 0.000 0.305 290 G C -1.609 173.323 174.900 0.052 0.000 1.367 290 G CA -1.127 44.005 45.100 0.054 0.000 0.951 290 G HN 0.162 nan 8.290 nan 0.000 0.615 291 R N -0.581 119.963 120.500 0.073 0.000 2.711 291 R HA 0.756 5.096 4.340 -0.000 0.000 0.284 291 R C -0.126 176.224 176.300 0.084 0.000 0.968 291 R CA -0.775 55.370 56.100 0.075 0.000 0.924 291 R CB 2.087 32.443 30.300 0.093 0.000 1.162 291 R HN 1.128 nan 8.270 nan 0.000 0.465 292 V N -0.983 118.963 119.914 0.053 0.000 2.667 292 V HA 0.598 4.718 4.120 -0.000 0.000 0.308 292 V C -2.368 173.745 176.094 0.031 0.000 1.048 292 V CA -2.783 59.530 62.300 0.021 0.000 0.928 292 V CB 1.744 33.559 31.823 -0.013 0.000 1.004 292 V HN 0.611 nan 8.190 nan 0.000 0.444 293 P HA 0.277 nan 4.420 nan 0.000 0.274 293 P C -0.870 176.450 177.300 0.033 0.000 1.237 293 P CA -0.288 62.840 63.100 0.047 0.000 0.793 293 P CB 0.526 32.258 31.700 0.054 0.000 0.977 294 N N 0.611 119.345 118.700 0.057 0.000 2.868 294 N HA 0.176 4.916 4.740 -0.000 0.000 0.252 294 N C 0.563 176.116 175.510 0.072 0.000 1.130 294 N CA 0.084 53.173 53.050 0.064 0.000 1.026 294 N CB -0.402 38.126 38.487 0.069 0.000 1.335 294 N HN 0.386 nan 8.380 nan 0.000 0.516 295 T N -2.983 111.610 114.554 0.064 0.000 3.041 295 T HA 0.154 4.504 4.350 -0.000 0.000 0.276 295 T C 1.474 176.223 174.700 0.081 0.000 0.948 295 T CA -0.276 61.869 62.100 0.075 0.000 0.885 295 T CB 0.184 69.085 68.868 0.055 0.000 1.175 295 T HN 0.003 nan 8.240 nan 0.000 0.529 296 K N 1.798 122.242 120.400 0.072 0.000 2.211 296 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 296 K C 0.424 177.079 176.600 0.092 0.000 1.050 296 K CA 1.102 57.428 56.287 0.065 0.000 0.945 296 K CB -0.145 32.383 32.500 0.048 0.000 0.732 296 K HN 0.385 nan 8.250 nan 0.000 0.451 297 D N -0.188 120.297 120.400 0.142 0.000 2.431 297 D HA 0.068 4.707 4.640 -0.000 0.000 0.213 297 D C 1.131 177.593 176.300 0.270 0.000 1.130 297 D CA -0.064 54.059 54.000 0.204 0.000 0.834 297 D CB 0.583 41.532 40.800 0.247 0.000 0.985 297 D HN 0.111 nan 8.370 nan 0.000 0.504 298 L N 0.215 121.551 121.223 0.190 0.000 2.592 298 L HA 0.035 4.375 4.340 -0.000 0.000 0.227 298 L C 0.193 177.218 176.870 0.258 0.000 1.127 298 L CA 0.162 55.113 54.840 0.186 0.000 0.884 298 L CB -0.019 42.158 42.059 0.198 0.000 1.065 298 L HN -0.164 nan 8.230 nan 0.000 0.457 299 S N 0.349 116.163 115.700 0.190 0.000 3.550 299 S HA -0.189 4.280 4.470 -0.000 0.000 0.372 299 S C 1.251 175.942 174.600 0.151 0.000 0.966 299 S CA 0.143 58.440 58.200 0.162 0.000 1.229 299 S CB -1.497 61.804 63.200 0.170 0.000 0.917 299 S HN 0.369 nan 8.310 nan 0.000 0.496 300 L N 0.829 122.113 121.223 0.103 0.000 2.201 300 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 300 L C 2.469 179.310 176.870 -0.048 0.000 1.105 300 L CA 1.589 56.428 54.840 -0.002 0.000 0.775 300 L CB -0.470 41.593 42.059 0.007 0.000 0.913 300 L HN 0.686 nan 8.230 nan 0.000 0.440 301 N N 0.084 118.782 118.700 -0.004 0.000 2.396 301 N HA -0.177 4.562 4.740 -0.000 0.000 0.180 301 N C 1.407 176.906 175.510 -0.017 0.000 1.028 301 N CA 0.807 53.849 53.050 -0.013 0.000 0.893 301 N CB -0.262 38.227 38.487 0.004 0.000 0.967 301 N HN 0.270 nan 8.380 nan 0.000 0.440 302 K N 0.209 120.608 120.400 -0.002 0.000 2.211 302 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 302 K C 1.218 177.794 176.600 -0.040 0.000 1.047 302 K CA 0.851 57.139 56.287 0.001 0.000 0.935 302 K CB 0.047 32.576 32.500 0.048 0.000 0.728 302 K HN 0.311 nan 8.250 nan 0.000 0.452 303 L N -0.947 120.215 121.223 -0.103 0.000 2.858 303 L HA 0.191 4.530 4.340 -0.000 0.000 0.251 303 L C 0.621 177.417 176.870 -0.123 0.000 1.149 303 L CA -0.078 54.675 54.840 -0.144 0.000 0.955 303 L CB 0.906 42.793 42.059 -0.286 0.000 1.289 303 L HN 0.222 nan 8.230 nan 0.000 0.542 304 G N 1.700 110.444 108.800 -0.093 0.000 2.295 304 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.287 304 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.287 304 G C 0.027 174.876 174.900 -0.085 0.000 1.055 304 G CA -0.039 45.019 45.100 -0.071 0.000 0.922 304 G HN 0.267 nan 8.290 nan 0.000 0.503 305 I N 0.160 120.663 120.570 -0.112 0.000 2.441 305 I HA 0.167 4.337 4.170 -0.000 0.000 0.287 305 I C 1.103 177.188 176.117 -0.054 0.000 1.049 305 I CA -0.165 61.072 61.300 -0.105 0.000 1.381 305 I CB 1.042 38.949 38.000 -0.155 0.000 1.409 305 I HN 0.215 nan 8.210 nan 0.000 0.523 306 Q N 4.761 124.539 119.800 -0.036 0.000 2.296 306 Q HA 0.241 4.580 4.340 -0.000 0.000 0.262 306 Q C -0.216 175.786 176.000 0.003 0.000 0.981 306 Q CA -0.145 55.650 55.803 -0.014 0.000 0.905 306 Q CB 1.137 29.870 28.738 -0.009 0.000 1.186 306 Q HN 0.737 nan 8.270 nan 0.000 0.399 307 T N -1.118 113.441 114.554 0.008 0.000 2.940 307 T HA 0.436 4.785 4.350 -0.000 0.000 0.288 307 T C -0.285 174.431 174.700 0.028 0.000 1.045 307 T CA -1.066 61.048 62.100 0.024 0.000 1.018 307 T CB 1.420 70.295 68.868 0.012 0.000 1.151 307 T HN 0.553 nan 8.240 nan 0.000 0.529 308 D N -0.426 120.002 120.400 0.048 0.000 2.511 308 D HA 0.174 4.814 4.640 -0.000 0.000 0.276 308 D C 0.869 177.178 176.300 0.014 0.000 1.220 308 D CA -0.538 53.489 54.000 0.045 0.000 1.077 308 D CB 0.074 40.930 40.800 0.094 0.000 1.126 308 D HN 0.609 nan 8.370 nan 0.000 0.583 309 D N -0.993 119.416 120.400 0.015 0.000 2.312 309 D HA -0.140 4.500 4.640 -0.000 0.000 0.211 309 D C 0.810 177.091 176.300 -0.032 0.000 0.964 309 D CA 0.833 54.831 54.000 -0.004 0.000 0.877 309 D CB -0.168 40.634 40.800 0.003 0.000 0.924 309 D HN 0.381 nan 8.370 nan 0.000 0.515 310 K N -0.777 119.583 120.400 -0.066 0.000 2.358 310 K HA 0.349 4.669 4.320 -0.000 0.000 0.200 310 K C 1.120 177.548 176.600 -0.287 0.000 1.030 310 K CA 0.409 56.595 56.287 -0.168 0.000 1.097 310 K CB 1.023 33.404 32.500 -0.199 0.000 0.862 310 K HN 0.175 nan 8.250 nan 0.000 0.534 311 G N 1.423 110.108 108.800 -0.192 0.000 2.157 311 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.239 311 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.239 311 G C -0.475 174.355 174.900 -0.116 0.000 0.982 311 G CA -0.225 44.798 45.100 -0.128 0.000 0.650 311 G HN 0.499 nan 8.290 nan 0.000 0.527 312 H N -0.178 118.906 119.070 0.023 0.000 2.972 312 H HA 0.385 4.940 4.556 -0.001 0.000 0.343 312 H C 1.182 176.522 175.328 0.020 0.000 1.054 312 H CA 0.260 56.322 56.048 0.023 0.000 1.412 312 H CB 0.655 30.426 29.762 0.014 0.000 1.385 312 H HN 0.317 nan 8.280 nan 0.000 0.600 313 I N 3.999 124.660 120.570 0.152 0.000 2.441 313 I HA 0.001 4.170 4.170 -0.000 0.000 0.287 313 I C 0.012 176.173 176.117 0.074 0.000 1.049 313 I CA -0.310 61.045 61.300 0.091 0.000 1.381 313 I CB 0.601 38.650 38.000 0.081 0.000 1.409 313 I HN 0.378 nan 8.210 nan 0.000 0.523 314 I N 7.502 128.101 120.570 0.048 0.000 2.371 314 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 314 I C 0.271 176.406 176.117 0.029 0.000 1.028 314 I CA -0.157 61.161 61.300 0.030 0.000 1.345 314 I CB 0.694 38.706 38.000 0.020 0.000 1.407 314 I HN 0.268 nan 8.210 nan 0.000 0.501 315 V N 2.971 122.899 119.914 0.024 0.000 3.074 315 V HA 0.729 4.849 4.120 -0.000 0.000 0.314 315 V C -0.456 175.659 176.094 0.034 0.000 1.117 315 V CA -0.978 61.349 62.300 0.046 0.000 1.014 315 V CB 2.052 33.918 31.823 0.072 0.000 1.057 315 V HN 0.709 nan 8.190 nan 0.000 0.438 316 D N 0.738 121.183 120.400 0.074 0.000 2.469 316 D HA 0.263 4.903 4.640 -0.000 0.000 0.278 316 D C 0.628 176.954 176.300 0.044 0.000 1.231 316 D CA -0.096 53.946 54.000 0.071 0.000 1.075 316 D CB 0.337 41.221 40.800 0.140 0.000 1.121 316 D HN 0.699 nan 8.370 nan 0.000 0.571 317 E N -1.454 118.733 120.200 -0.022 0.000 2.516 317 E HA 0.050 4.400 4.350 -0.000 0.000 0.199 317 E C 0.437 176.861 176.600 -0.293 0.000 1.069 317 E CA 0.505 56.800 56.400 -0.175 0.000 0.876 317 E CB -0.425 29.094 29.700 -0.301 0.000 0.843 317 E HN 0.332 nan 8.360 nan 0.000 0.530 318 F N 0.711 120.718 119.950 0.094 0.000 2.653 318 F HA 0.186 4.712 4.527 -0.001 0.000 0.304 318 F C 0.361 176.239 175.800 0.129 0.000 1.092 318 F CA -0.285 57.773 58.000 0.097 0.000 1.279 318 F CB 0.513 39.562 39.000 0.082 0.000 1.044 318 F HN -0.211 nan 8.300 nan 0.000 0.564 319 Q N -0.767 119.186 119.800 0.254 0.000 2.493 319 Q HA -0.213 4.127 4.340 -0.000 0.000 0.260 319 Q C -0.914 175.279 176.000 0.321 0.000 0.905 319 Q CA 0.396 56.348 55.803 0.249 0.000 1.140 319 Q CB -2.601 26.281 28.738 0.240 0.000 1.435 319 Q HN 0.381 nan 8.270 nan 0.000 0.581 320 N N 2.000 120.879 118.700 0.298 0.000 2.497 320 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 320 N C 0.891 176.456 175.510 0.093 0.000 1.142 320 N CA 0.722 53.896 53.050 0.207 0.000 0.965 320 N CB 1.039 39.630 38.487 0.173 0.000 1.077 320 N HN 0.391 nan 8.380 nan 0.000 0.462 321 T N -0.785 113.774 114.554 0.008 0.000 2.652 321 T HA -0.003 4.347 4.350 -0.000 0.000 0.319 321 T C 1.418 176.099 174.700 -0.031 0.000 1.029 321 T CA -0.441 61.647 62.100 -0.020 0.000 0.990 321 T CB 0.336 69.167 68.868 -0.061 0.000 1.098 321 T HN 0.565 nan 8.240 nan 0.000 0.520 322 N N -0.439 118.239 118.700 -0.036 0.000 2.512 322 N HA -0.036 4.703 4.740 -0.000 0.000 0.183 322 N C 0.049 175.524 175.510 -0.059 0.000 1.073 322 N CA 0.149 53.178 53.050 -0.036 0.000 0.911 322 N CB -0.439 38.029 38.487 -0.030 0.000 0.964 322 N HN 0.404 nan 8.380 nan 0.000 0.447 323 V N 1.418 121.276 119.914 -0.094 0.000 2.398 323 V HA 0.174 4.293 4.120 -0.000 0.000 0.286 323 V C 0.506 176.516 176.094 -0.140 0.000 1.026 323 V CA -1.111 61.121 62.300 -0.113 0.000 0.868 323 V CB 1.720 33.455 31.823 -0.148 0.000 0.982 323 V HN 0.068 nan 8.190 nan 0.000 0.443 324 K N 2.789 123.126 120.400 -0.104 0.000 2.412 324 K HA 0.304 4.623 4.320 -0.000 0.000 0.281 324 K C 1.214 177.732 176.600 -0.137 0.000 1.027 324 K CA 1.150 57.376 56.287 -0.101 0.000 0.989 324 K CB 0.721 33.193 32.500 -0.046 0.000 0.935 324 K HN 1.153 nan 8.250 nan 0.000 0.475 325 G N 3.289 111.970 108.800 -0.198 0.000 2.176 325 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 325 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 325 G C 0.118 174.796 174.900 -0.371 0.000 0.979 325 G CA 0.137 45.143 45.100 -0.157 0.000 0.641 325 G HN 0.551 nan 8.290 nan 0.000 0.530 326 I N 0.182 120.385 120.570 -0.612 0.000 2.465 326 I HA 0.662 4.832 4.170 -0.000 0.000 0.291 326 I C -0.194 175.521 176.117 -0.670 0.000 1.014 326 I CA -1.324 59.699 61.300 -0.462 0.000 1.093 326 I CB 1.528 39.418 38.000 -0.183 0.000 1.267 326 I HN 0.061 nan 8.210 nan 0.000 0.431 327 Y N 3.783 124.178 120.300 0.158 0.000 2.634 327 Y HA 0.866 5.416 4.550 -0.000 0.000 0.340 327 Y C -0.059 175.919 175.900 0.131 0.000 1.058 327 Y CA -1.193 56.994 58.100 0.145 0.000 1.081 327 Y CB 1.889 40.454 38.460 0.175 0.000 1.295 327 Y HN 0.519 nan 8.280 nan 0.000 0.487 328 A N 0.873 123.857 122.820 0.274 0.000 2.488 328 A HA 0.794 5.113 4.320 -0.000 0.000 0.298 328 A C -1.482 176.207 177.584 0.174 0.000 1.044 328 A CA -0.633 51.518 52.037 0.190 0.000 0.693 328 A CB 1.092 20.174 19.000 0.137 0.000 1.272 328 A HN 1.079 nan 8.150 nan 0.000 0.402 329 V N -0.107 119.894 119.914 0.145 0.000 3.001 329 V HA 1.026 5.146 4.120 -0.000 0.000 0.314 329 V C 0.495 176.652 176.094 0.105 0.000 1.099 329 V CA 0.285 62.663 62.300 0.130 0.000 0.989 329 V CB 0.940 32.835 31.823 0.119 0.000 1.040 329 V HN 2.937 nan 8.190 nan 0.000 0.434 330 G N 2.450 111.315 108.800 0.109 0.000 2.508 330 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 330 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 330 G C 0.014 174.965 174.900 0.085 0.000 1.287 330 G CA 0.570 45.724 45.100 0.090 0.000 0.916 330 G HN 0.971 nan 8.290 nan 0.000 0.574 331 D N -0.612 119.836 120.400 0.081 0.000 2.182 331 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 331 D C 2.471 178.839 176.300 0.113 0.000 0.986 331 D CA 1.397 55.451 54.000 0.090 0.000 0.847 331 D CB -0.148 40.707 40.800 0.092 0.000 0.942 331 D HN 0.521 nan 8.370 nan 0.000 0.467 332 V N -0.251 119.730 119.914 0.112 0.000 2.867 332 V HA -0.209 3.911 4.120 -0.000 0.000 0.260 332 V C 1.702 177.897 176.094 0.167 0.000 1.099 332 V CA 1.305 63.689 62.300 0.140 0.000 1.122 332 V CB -0.220 31.667 31.823 0.107 0.000 0.708 332 V HN 0.337 nan 8.190 nan 0.000 0.490 333 C N 0.145 119.507 119.300 0.103 0.000 2.634 333 C HA 0.489 4.949 4.460 -0.000 0.000 0.268 333 C C 1.948 176.870 174.990 -0.113 0.000 1.322 333 C CA 0.167 59.212 59.018 0.044 0.000 1.737 333 C CB -0.659 27.095 27.740 0.023 0.000 1.976 333 C HN 0.824 nan 8.230 nan 0.000 0.547 334 G N 1.312 110.032 108.800 -0.134 0.000 2.136 334 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.242 334 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.242 334 G C -0.088 174.648 174.900 -0.275 0.000 0.989 334 G CA 0.467 45.327 45.100 -0.401 0.000 0.682 334 G HN 0.616 nan 8.290 nan 0.000 0.522 335 K N 0.034 120.342 120.400 -0.154 0.000 2.413 335 K HA 0.652 4.971 4.320 -0.000 0.000 0.257 335 K C 0.519 177.110 176.600 -0.016 0.000 0.946 335 K CA -0.049 56.157 56.287 -0.135 0.000 0.823 335 K CB 1.200 33.544 32.500 -0.260 0.000 1.109 335 K HN 1.717 nan 8.250 nan 0.000 0.427 336 A N 3.818 126.644 122.820 0.010 0.000 1.936 336 A HA -0.148 4.172 4.320 -0.000 0.000 0.254 336 A C -0.706 176.918 177.584 0.068 0.000 1.352 336 A CA -0.043 52.032 52.037 0.062 0.000 0.724 336 A CB -1.364 17.736 19.000 0.167 0.000 1.196 336 A HN 0.605 nan 8.150 nan 0.000 0.283 337 L N 2.495 123.751 121.223 0.055 0.000 2.399 337 L HA 0.554 4.894 4.340 -0.000 0.000 0.257 337 L C 0.149 177.065 176.870 0.077 0.000 1.236 337 L CA 0.874 55.763 54.840 0.082 0.000 1.144 337 L CB -0.297 41.832 42.059 0.117 0.000 1.379 337 L HN 0.584 nan 8.230 nan 0.000 0.414 338 L N -0.325 120.931 121.223 0.056 0.000 2.409 338 L HA 0.410 4.749 4.340 -0.000 0.000 0.262 338 L C 1.300 178.193 176.870 0.038 0.000 0.992 338 L CA -0.467 54.393 54.840 0.034 0.000 0.817 338 L CB 2.015 44.071 42.059 -0.006 0.000 1.350 338 L HN 0.035 nan 8.230 nan 0.000 0.411 339 T N 0.798 115.374 114.554 0.037 0.000 2.708 339 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 339 T C -1.183 173.525 174.700 0.013 0.000 1.037 339 T CA 1.780 63.896 62.100 0.027 0.000 1.146 339 T CB -0.473 68.414 68.868 0.031 0.000 0.865 339 T HN 0.461 nan 8.240 nan 0.000 0.435 340 P HA 0.066 nan 4.420 nan 0.000 0.223 340 P C 1.475 178.760 177.300 -0.025 0.000 1.151 340 P CA 0.405 63.500 63.100 -0.007 0.000 0.787 340 P CB -0.118 31.576 31.700 -0.010 0.000 0.788 341 V N 0.536 120.437 119.914 -0.022 0.000 2.307 341 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 341 V C 2.529 178.617 176.094 -0.010 0.000 1.045 341 V CA 2.173 64.449 62.300 -0.040 0.000 1.024 341 V CB -1.759 30.069 31.823 0.008 0.000 0.651 341 V HN 0.091 nan 8.190 nan 0.000 0.449 342 A N 0.085 122.920 122.820 0.026 0.000 1.892 342 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 342 A C 2.200 179.794 177.584 0.016 0.000 1.188 342 A CA 2.326 54.383 52.037 0.034 0.000 0.631 342 A CB -0.626 18.393 19.000 0.032 0.000 0.822 342 A HN 0.515 nan 8.150 nan 0.000 0.447 343 I N -0.583 119.988 120.570 0.001 0.000 2.113 343 I HA -0.271 3.899 4.170 -0.000 0.000 0.238 343 I C 3.033 179.149 176.117 -0.002 0.000 1.070 343 I CA 1.137 62.435 61.300 -0.002 0.000 1.332 343 I CB -0.456 37.542 38.000 -0.004 0.000 1.044 343 I HN 0.365 nan 8.210 nan 0.000 0.402 344 A N 0.705 123.512 122.820 -0.022 0.000 1.908 344 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 344 A C 2.505 180.070 177.584 -0.031 0.000 1.181 344 A CA 2.034 54.050 52.037 -0.035 0.000 0.627 344 A CB -0.899 18.053 19.000 -0.080 0.000 0.818 344 A HN 0.469 nan 8.150 nan 0.000 0.445 345 A N -0.618 122.179 122.820 -0.038 0.000 1.930 345 A HA 0.149 4.468 4.320 -0.000 0.000 0.217 345 A C 2.395 180.005 177.584 0.043 0.000 1.175 345 A CA 1.863 53.902 52.037 0.002 0.000 0.627 345 A CB -1.304 17.728 19.000 0.053 0.000 0.815 345 A HN 0.724 nan 8.150 nan 0.000 0.443 346 G N -0.618 108.208 108.800 0.044 0.000 2.402 346 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 346 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 346 G C 1.790 176.718 174.900 0.047 0.000 1.162 346 G CA 0.847 45.981 45.100 0.057 0.000 0.777 346 G HN 0.560 nan 8.290 nan 0.000 0.539 347 R N -0.067 120.456 120.500 0.038 0.000 2.073 347 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 347 R C 2.591 178.955 176.300 0.107 0.000 1.120 347 R CA 1.172 57.300 56.100 0.048 0.000 0.967 347 R CB -0.186 30.159 30.300 0.074 0.000 0.862 347 R HN 0.120 nan 8.270 nan 0.000 0.436 348 K N 0.901 121.363 120.400 0.102 0.000 2.032 348 K HA -0.157 4.162 4.320 -0.000 0.000 0.209 348 K C 1.896 178.542 176.600 0.078 0.000 1.048 348 K CA 1.078 57.433 56.287 0.113 0.000 0.927 348 K CB -0.504 32.024 32.500 0.048 0.000 0.712 348 K HN 0.012 nan 8.250 nan 0.000 0.441 349 L N 0.266 121.503 121.223 0.024 0.000 2.042 349 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 349 L C 1.953 178.710 176.870 -0.190 0.000 1.076 349 L CA 2.131 56.932 54.840 -0.065 0.000 0.749 349 L CB -0.778 41.251 42.059 -0.049 0.000 0.893 349 L HN 0.192 nan 8.230 nan 0.000 0.432 350 A N -1.686 121.053 122.820 -0.134 0.000 1.969 350 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 350 A C 2.169 179.611 177.584 -0.237 0.000 1.169 350 A CA 1.524 53.454 52.037 -0.177 0.000 0.635 350 A CB -0.904 18.025 19.000 -0.119 0.000 0.810 350 A HN 0.668 nan 8.150 nan 0.000 0.445 351 H N -0.747 118.264 119.070 -0.098 0.000 2.357 351 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 351 H C 2.279 177.496 175.328 -0.186 0.000 1.082 351 H CA 1.740 57.724 56.048 -0.106 0.000 1.342 351 H CB -0.152 29.576 29.762 -0.056 0.000 1.389 351 H HN 0.547 nan 8.280 nan 0.000 0.511 352 R N 0.637 121.081 120.500 -0.093 0.000 2.073 352 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 352 R C 2.406 178.455 176.300 -0.418 0.000 1.134 352 R CA 1.089 57.081 56.100 -0.181 0.000 0.952 352 R CB -0.124 30.102 30.300 -0.123 0.000 0.850 352 R HN 0.201 nan 8.270 nan 0.000 0.433 353 L N -1.032 119.765 121.223 -0.709 0.000 2.131 353 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 353 L C 1.306 177.272 176.870 -1.506 0.000 1.087 353 L CA 0.903 55.001 54.840 -1.237 0.000 0.767 353 L CB -0.014 40.887 42.059 -1.930 0.000 0.917 353 L HN 0.184 nan 8.230 nan 0.000 0.441 354 F N -1.880 117.638 119.950 -0.720 0.000 2.746 354 F HA 0.149 4.676 4.527 -0.000 0.000 0.313 354 F C 2.005 177.363 175.800 -0.737 0.000 1.095 354 F CA -0.151 57.398 58.000 -0.751 0.000 1.224 354 F CB 0.217 38.923 39.000 -0.490 0.000 1.060 354 F HN -0.092 nan 8.300 nan 0.000 0.584 355 E N -0.828 119.113 120.200 -0.432 0.000 2.498 355 E HA 0.030 4.380 4.350 -0.000 0.000 0.203 355 E C -0.125 176.429 176.600 -0.076 0.000 1.013 355 E CA 0.008 56.310 56.400 -0.163 0.000 0.927 355 E CB 0.117 29.859 29.700 0.070 0.000 1.012 355 E HN 0.361 nan 8.360 nan 0.000 0.482 356 Y N -0.615 119.650 120.300 -0.058 0.000 4.236 356 Y HA -0.307 4.243 4.550 -0.000 0.000 0.220 356 Y C -0.036 175.837 175.900 -0.044 0.000 1.115 356 Y CA 0.579 58.637 58.100 -0.070 0.000 1.811 356 Y CB -1.957 36.476 38.460 -0.046 0.000 1.581 356 Y HN -0.028 nan 8.280 nan 0.000 0.643 357 K N 2.219 122.646 120.400 0.044 0.000 2.165 357 K HA 0.017 4.337 4.320 -0.000 0.000 0.270 357 K C 0.798 177.408 176.600 0.017 0.000 1.091 357 K CA 0.587 56.898 56.287 0.039 0.000 1.019 357 K CB 0.410 32.931 32.500 0.034 0.000 1.101 357 K HN 0.549 nan 8.250 nan 0.000 0.397 358 E N 0.962 121.168 120.200 0.010 0.000 2.347 358 E HA -0.159 4.190 4.350 -0.000 0.000 0.196 358 E C 0.619 177.209 176.600 -0.018 0.000 1.008 358 E CA 0.988 57.358 56.400 -0.050 0.000 0.852 358 E CB 0.003 29.665 29.700 -0.063 0.000 0.783 358 E HN 0.460 nan 8.360 nan 0.000 0.505 359 D N 0.372 120.824 120.400 0.087 0.000 2.427 359 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 359 D C -0.233 176.202 176.300 0.225 0.000 1.157 359 D CA -0.305 53.822 54.000 0.212 0.000 0.828 359 D CB 0.033 40.910 40.800 0.128 0.000 0.974 359 D HN -0.013 nan 8.370 nan 0.000 0.498 360 S N 0.661 116.479 115.700 0.197 0.000 2.422 360 S HA 0.351 4.821 4.470 -0.000 0.000 0.283 360 S C -0.269 174.451 174.600 0.199 0.000 1.163 360 S CA -0.565 57.719 58.200 0.141 0.000 1.054 360 S CB -0.064 63.193 63.200 0.096 0.000 0.967 360 S HN 0.449 nan 8.310 nan 0.000 0.499 361 K N 3.110 123.559 120.400 0.082 0.000 2.575 361 K HA 0.504 4.824 4.320 -0.000 0.000 0.279 361 K C -1.696 174.862 176.600 -0.070 0.000 0.969 361 K CA -1.141 55.136 56.287 -0.016 0.000 0.868 361 K CB 0.621 32.965 32.500 -0.260 0.000 1.457 361 K HN 0.368 nan 8.250 nan 0.000 0.426 362 L N 2.206 123.366 121.223 -0.106 0.000 2.290 362 L HA 0.283 4.622 4.340 -0.000 0.000 0.284 362 L C -0.636 176.097 176.870 -0.229 0.000 1.078 362 L CA 0.286 54.989 54.840 -0.230 0.000 0.815 362 L CB 0.811 42.613 42.059 -0.429 0.000 1.162 362 L HN 0.729 nan 8.230 nan 0.000 0.435 363 D N 3.684 123.976 120.400 -0.180 0.000 2.358 363 D HA -0.043 4.596 4.640 -0.000 0.000 0.258 363 D C -0.096 176.100 176.300 -0.172 0.000 1.223 363 D CA 0.422 54.358 54.000 -0.106 0.000 0.886 363 D CB 0.363 41.121 40.800 -0.069 0.000 1.120 363 D HN 0.506 nan 8.370 nan 0.000 0.482 364 Y N 2.168 122.437 120.300 -0.051 0.000 2.495 364 Y HA 0.181 4.731 4.550 -0.000 0.000 0.293 364 Y C 0.441 176.317 175.900 -0.041 0.000 1.186 364 Y CA -0.373 57.700 58.100 -0.046 0.000 1.266 364 Y CB -0.142 38.288 38.460 -0.050 0.000 1.101 364 Y HN 0.265 nan 8.280 nan 0.000 0.517 365 N N 0.166 118.901 118.700 0.058 0.000 2.487 365 N HA 0.161 4.901 4.740 -0.000 0.000 0.292 365 N C -0.482 175.032 175.510 0.006 0.000 1.108 365 N CA -0.557 52.513 53.050 0.034 0.000 0.956 365 N CB 0.461 38.966 38.487 0.029 0.000 1.176 365 N HN 0.155 nan 8.380 nan 0.000 0.484 366 N N 0.106 118.809 118.700 0.006 0.000 2.740 366 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 366 N C -1.136 174.362 175.510 -0.021 0.000 1.062 366 N CA 0.166 53.212 53.050 -0.006 0.000 0.704 366 N CB -1.094 37.395 38.487 0.004 0.000 0.968 366 N HN 0.479 nan 8.380 nan 0.000 0.547 367 I N 1.443 121.998 120.570 -0.026 0.000 2.396 367 I HA 0.205 4.374 4.170 -0.000 0.000 0.289 367 I C -1.581 174.506 176.117 -0.049 0.000 1.056 367 I CA -1.516 59.760 61.300 -0.040 0.000 1.365 367 I CB 0.433 38.413 38.000 -0.034 0.000 1.407 367 I HN -0.055 nan 8.210 nan 0.000 0.509 368 P HA 0.299 nan 4.420 nan 0.000 0.282 368 P C -0.920 176.335 177.300 -0.074 0.000 1.249 368 P CA -0.343 62.724 63.100 -0.055 0.000 0.806 368 P CB 1.214 32.894 31.700 -0.033 0.000 0.984 369 T N 0.772 115.271 114.554 -0.092 0.000 2.861 369 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 369 T C -0.441 174.177 174.700 -0.137 0.000 1.003 369 T CA -0.497 61.532 62.100 -0.119 0.000 0.977 369 T CB 1.404 70.188 68.868 -0.139 0.000 0.996 369 T HN 0.085 nan 8.240 nan 0.000 0.448 370 V N 3.208 122.987 119.914 -0.225 0.000 2.417 370 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 370 V C -0.205 175.590 176.094 -0.498 0.000 1.024 370 V CA -0.683 61.371 62.300 -0.409 0.000 0.861 370 V CB 1.797 33.236 31.823 -0.640 0.000 0.985 370 V HN 0.741 nan 8.190 nan 0.000 0.436 371 V N 5.621 125.294 119.914 -0.402 0.000 2.394 371 V HA 0.379 4.499 4.120 -0.000 0.000 0.282 371 V C -0.241 175.562 176.094 -0.486 0.000 1.031 371 V CA -0.326 61.795 62.300 -0.299 0.000 0.881 371 V CB 1.279 33.036 31.823 -0.111 0.000 0.982 371 V HN 0.730 nan 8.190 nan 0.000 0.451 372 F N 3.740 123.517 119.950 -0.289 0.000 2.660 372 F HA 0.252 4.779 4.527 -0.000 0.000 0.342 372 F C 1.399 176.991 175.800 -0.346 0.000 1.195 372 F CA -0.272 57.340 58.000 -0.648 0.000 1.300 372 F CB -0.099 38.262 39.000 -1.066 0.000 1.616 372 F HN 0.584 nan 8.300 nan 0.000 0.592 373 S N -0.705 114.940 115.700 -0.091 0.000 2.632 373 S HA 0.387 4.857 4.470 -0.000 0.000 0.267 373 S C -0.330 174.211 174.600 -0.098 0.000 1.193 373 S CA -0.739 57.442 58.200 -0.031 0.000 1.003 373 S CB 0.638 63.837 63.200 -0.001 0.000 1.073 373 S HN 0.379 nan 8.310 nan 0.000 0.553 374 H N 1.347 120.553 119.070 0.227 0.000 2.708 374 H HA 0.451 5.007 4.556 -0.000 0.000 0.320 374 H C -2.599 172.793 175.328 0.105 0.000 0.991 374 H CA -1.573 54.581 56.048 0.176 0.000 1.243 374 H CB 1.032 30.839 29.762 0.074 0.000 1.446 374 H HN 0.481 nan 8.280 nan 0.000 0.502 375 P HA 0.147 nan 4.420 nan 0.000 0.274 375 P C -2.631 174.734 177.300 0.108 0.000 1.256 375 P CA -1.669 61.536 63.100 0.174 0.000 0.795 375 P CB 0.221 32.007 31.700 0.142 0.000 1.038 376 P HA 0.258 nan 4.420 nan 0.000 0.274 376 P C -0.412 176.834 177.300 -0.089 0.000 1.237 376 P CA 0.106 63.167 63.100 -0.066 0.000 0.793 376 P CB 0.639 32.241 31.700 -0.162 0.000 0.977 377 I N 0.705 121.180 120.570 -0.158 0.000 2.377 377 I HA 0.472 4.642 4.170 -0.000 0.000 0.293 377 I C 0.870 176.923 176.117 -0.106 0.000 0.987 377 I CA -0.374 60.876 61.300 -0.083 0.000 1.185 377 I CB 1.732 39.699 38.000 -0.055 0.000 1.341 377 I HN 0.336 nan 8.210 nan 0.000 0.455 378 G N 2.899 111.677 108.800 -0.038 0.000 2.470 378 G HA2 0.594 4.553 3.960 -0.000 0.000 0.320 378 G HA3 0.594 4.553 3.960 -0.000 0.000 0.320 378 G C -1.019 173.891 174.900 0.017 0.000 1.245 378 G CA -0.323 44.756 45.100 -0.035 0.000 0.935 378 G HN 0.457 nan 8.290 nan 0.000 0.476 379 T N 0.056 114.612 114.554 0.002 0.000 2.952 379 T HA 0.611 4.960 4.350 -0.000 0.000 0.305 379 T C -1.521 173.127 174.700 -0.087 0.000 1.064 379 T CA -0.482 61.612 62.100 -0.010 0.000 1.008 379 T CB 1.795 70.738 68.868 0.126 0.000 1.078 379 T HN 0.961 nan 8.240 nan 0.000 0.459 380 V N 4.481 124.292 119.914 -0.171 0.000 2.932 380 V HA 0.839 4.959 4.120 -0.000 0.000 0.307 380 V C 0.418 176.421 176.094 -0.152 0.000 1.147 380 V CA 1.084 63.311 62.300 -0.122 0.000 0.951 380 V CB 1.167 32.953 31.823 -0.063 0.000 1.031 380 V HN 1.695 nan 8.190 nan 0.000 0.426 381 G N 4.877 113.636 108.800 -0.069 0.000 2.499 381 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.232 381 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.232 381 G C -0.851 174.070 174.900 0.034 0.000 1.251 381 G CA -0.085 44.999 45.100 -0.026 0.000 0.917 381 G HN 1.238 nan 8.290 nan 0.000 0.580 382 L N 1.610 122.885 121.223 0.086 0.000 2.325 382 L HA 0.565 4.905 4.340 -0.000 0.000 0.279 382 L C 1.601 178.626 176.870 0.259 0.000 1.054 382 L CA -0.246 54.676 54.840 0.137 0.000 0.804 382 L CB 1.620 43.761 42.059 0.137 0.000 1.200 382 L HN 1.034 nan 8.230 nan 0.000 0.436 383 T N -2.284 112.353 114.554 0.138 0.000 2.795 383 T HA -0.008 4.342 4.350 -0.000 0.000 0.314 383 T C 1.002 175.724 174.700 0.037 0.000 1.069 383 T CA -0.171 61.916 62.100 -0.022 0.000 1.071 383 T CB 0.966 69.767 68.868 -0.111 0.000 0.988 383 T HN 0.825 nan 8.240 nan 0.000 0.543 384 E N 0.619 120.808 120.200 -0.019 0.000 2.110 384 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 384 E C 1.241 177.859 176.600 0.030 0.000 0.988 384 E CA 1.603 58.015 56.400 0.019 0.000 0.804 384 E CB -0.270 29.425 29.700 -0.009 0.000 0.745 384 E HN 0.747 nan 8.360 nan 0.000 0.458 385 D N 0.726 121.130 120.400 0.007 0.000 2.103 385 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 385 D C 1.823 178.159 176.300 0.060 0.000 0.997 385 D CA 1.721 55.734 54.000 0.022 0.000 0.833 385 D CB -0.197 40.600 40.800 -0.006 0.000 0.961 385 D HN 0.341 nan 8.370 nan 0.000 0.447 386 E N 0.094 120.326 120.200 0.054 0.000 2.118 386 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 386 E C 2.036 178.711 176.600 0.124 0.000 0.992 386 E CA 1.061 57.512 56.400 0.086 0.000 0.804 386 E CB -0.110 29.626 29.700 0.060 0.000 0.741 386 E HN 0.249 nan 8.360 nan 0.000 0.458 387 A N 0.968 123.876 122.820 0.146 0.000 1.898 387 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 387 A C 2.170 179.895 177.584 0.236 0.000 1.181 387 A CA 1.052 53.239 52.037 0.249 0.000 0.620 387 A CB -0.508 18.617 19.000 0.209 0.000 0.819 387 A HN 0.139 nan 8.150 nan 0.000 0.442 388 I N -1.176 119.481 120.570 0.146 0.000 2.226 388 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 388 I C 2.505 178.683 176.117 0.102 0.000 1.100 388 I CA 1.600 62.968 61.300 0.115 0.000 1.374 388 I CB -0.419 37.628 38.000 0.078 0.000 1.057 388 I HN 0.553 nan 8.210 nan 0.000 0.413 389 H N 1.104 120.183 119.070 0.014 0.000 2.491 389 H HA -0.133 4.422 4.556 -0.000 0.000 0.290 389 H C 2.010 177.303 175.328 -0.058 0.000 1.050 389 H CA 1.171 57.209 56.048 -0.018 0.000 1.309 389 H CB 0.353 30.100 29.762 -0.025 0.000 1.392 389 H HN 0.215 nan 8.280 nan 0.000 0.554 390 K N -0.455 119.819 120.400 -0.210 0.000 2.335 390 K HA -0.026 4.294 4.320 -0.000 0.000 0.195 390 K C 0.496 176.786 176.600 -0.517 0.000 1.058 390 K CA 0.285 56.308 56.287 -0.440 0.000 0.988 390 K CB 0.559 32.773 32.500 -0.476 0.000 0.880 390 K HN 0.258 nan 8.250 nan 0.000 0.513 391 Y N -0.327 119.933 120.300 -0.066 0.000 2.426 391 Y HA 0.264 4.814 4.550 -0.000 0.000 0.249 391 Y C 0.593 176.469 175.900 -0.041 0.000 1.103 391 Y CA 0.262 58.335 58.100 -0.045 0.000 1.256 391 Y CB 1.149 39.595 38.460 -0.023 0.000 1.208 391 Y HN 0.147 nan 8.280 nan 0.000 0.519 392 G N 1.009 109.850 108.800 0.068 0.000 2.731 392 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.686 392 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.686 392 G C 0.603 175.539 174.900 0.060 0.000 1.395 392 G CA -0.173 44.954 45.100 0.045 0.000 0.870 392 G HN 0.245 nan 8.290 nan 0.000 0.591 393 I N 0.685 121.277 120.570 0.038 0.000 2.493 393 I HA -0.121 4.049 4.170 -0.000 0.000 0.254 393 I C 2.603 178.730 176.117 0.017 0.000 1.160 393 I CA 1.835 63.153 61.300 0.029 0.000 1.445 393 I CB -0.341 37.670 38.000 0.018 0.000 1.086 393 I HN 0.798 nan 8.210 nan 0.000 0.433 394 E N 0.816 121.026 120.200 0.016 0.000 2.371 394 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 394 E C 0.731 177.332 176.600 0.001 0.000 1.012 394 E CA 0.639 57.041 56.400 0.004 0.000 0.860 394 E CB -0.339 29.364 29.700 0.005 0.000 0.811 394 E HN 0.496 nan 8.360 nan 0.000 0.502 395 N N 0.962 119.673 118.700 0.018 0.000 2.235 395 N HA 0.118 4.858 4.740 -0.000 0.000 0.209 395 N C -0.600 174.888 175.510 -0.035 0.000 1.122 395 N CA 0.061 53.113 53.050 0.003 0.000 0.845 395 N CB 1.504 40.019 38.487 0.046 0.000 1.004 395 N HN -0.030 nan 8.380 nan 0.000 0.499 396 V N 1.075 120.977 119.914 -0.020 0.000 2.448 396 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 396 V C 0.083 176.141 176.094 -0.061 0.000 1.025 396 V CA -0.710 61.567 62.300 -0.038 0.000 0.859 396 V CB 2.513 34.345 31.823 0.015 0.000 0.988 396 V HN -0.128 nan 8.190 nan 0.000 0.431 397 K N 3.092 123.441 120.400 -0.085 0.000 2.426 397 K HA 0.581 4.901 4.320 -0.000 0.000 0.254 397 K C -0.379 176.126 176.600 -0.159 0.000 0.936 397 K CA -0.309 55.889 56.287 -0.150 0.000 0.801 397 K CB 2.214 34.617 32.500 -0.161 0.000 1.139 397 K HN 0.893 nan 8.250 nan 0.000 0.424 398 T N 0.363 114.790 114.554 -0.211 0.000 2.895 398 T HA 0.603 4.952 4.350 -0.000 0.000 0.283 398 T C -0.578 173.928 174.700 -0.322 0.000 1.014 398 T CA -0.515 61.496 62.100 -0.149 0.000 1.037 398 T CB 0.732 69.568 68.868 -0.054 0.000 1.006 398 T HN 0.330 nan 8.240 nan 0.000 0.468 399 Y N 1.003 121.279 120.300 -0.039 0.000 2.446 399 Y HA 0.649 5.199 4.550 -0.000 0.000 0.345 399 Y C 0.602 176.491 175.900 -0.018 0.000 0.984 399 Y CA -0.595 57.485 58.100 -0.033 0.000 1.058 399 Y CB 2.526 40.953 38.460 -0.055 0.000 1.220 399 Y HN 1.125 nan 8.280 nan 0.000 0.455 400 S N 0.430 116.218 115.700 0.147 0.000 2.625 400 S HA 0.873 5.343 4.470 -0.000 0.000 0.271 400 S C -0.996 173.672 174.600 0.114 0.000 1.161 400 S CA -0.818 57.446 58.200 0.108 0.000 0.820 400 S CB 2.403 65.646 63.200 0.072 0.000 1.137 400 S HN 0.645 nan 8.310 nan 0.000 0.470 401 T N -0.126 114.505 114.554 0.129 0.000 2.802 401 T HA 0.751 5.100 4.350 -0.000 0.000 0.311 401 T C -1.950 172.872 174.700 0.204 0.000 1.405 401 T CA -0.262 61.942 62.100 0.172 0.000 1.016 401 T CB 1.675 70.663 68.868 0.201 0.000 1.352 401 T HN 1.273 nan 8.240 nan 0.000 0.498 402 S N 1.941 117.793 115.700 0.253 0.000 2.603 402 S HA 0.782 5.251 4.470 -0.000 0.000 0.274 402 S C -1.710 173.063 174.600 0.289 0.000 1.168 402 S CA -0.702 57.602 58.200 0.174 0.000 0.963 402 S CB 0.249 63.502 63.200 0.088 0.000 1.078 402 S HN 0.789 nan 8.310 nan 0.000 0.477 403 F N 0.172 120.162 119.950 0.067 0.000 2.686 403 F HA 0.721 5.248 4.527 -0.000 0.000 0.311 403 F C -0.720 175.137 175.800 0.096 0.000 1.128 403 F CA -0.915 57.131 58.000 0.075 0.000 0.946 403 F CB 0.977 40.023 39.000 0.077 0.000 1.336 403 F HN 0.263 nan 8.300 nan 0.000 0.457 404 T N 3.032 117.706 114.554 0.199 0.000 2.733 404 T HA 0.466 4.816 4.350 -0.000 0.000 0.294 404 T C -2.615 172.266 174.700 0.302 0.000 0.956 404 T CA -1.044 61.147 62.100 0.151 0.000 0.987 404 T CB 0.797 69.756 68.868 0.152 0.000 0.920 404 T HN 0.335 nan 8.240 nan 0.000 0.470 405 P HA 0.045 nan 4.420 nan 0.000 0.266 405 P C 1.036 178.515 177.300 0.299 0.000 1.193 405 P CA -0.076 63.229 63.100 0.341 0.000 0.770 405 P CB 0.483 32.335 31.700 0.252 0.000 0.836 406 M N 2.780 122.532 119.600 0.253 0.000 2.358 406 M HA -0.211 4.269 4.480 -0.000 0.000 0.264 406 M C 1.612 177.991 176.300 0.131 0.000 1.064 406 M CA 1.524 56.923 55.300 0.166 0.000 1.093 406 M CB -0.489 32.182 32.600 0.119 0.000 1.401 406 M HN 0.368 nan 8.290 nan 0.000 0.440 407 Y N 0.536 120.860 120.300 0.039 0.000 2.132 407 Y HA -0.344 4.206 4.550 -0.000 0.000 0.280 407 Y C 1.892 177.794 175.900 0.003 0.000 1.193 407 Y CA 2.184 60.267 58.100 -0.028 0.000 1.157 407 Y CB -0.465 37.870 38.460 -0.209 0.000 0.966 407 Y HN 0.355 nan 8.280 nan 0.000 0.511 408 H N -0.673 118.449 119.070 0.088 0.000 2.539 408 H HA 0.326 4.882 4.556 -0.000 0.000 0.269 408 H C 2.118 177.428 175.328 -0.031 0.000 0.980 408 H CA 0.487 56.548 56.048 0.022 0.000 1.152 408 H CB -0.224 29.632 29.762 0.158 0.000 1.407 408 H HN 0.507 nan 8.280 nan 0.000 0.564 409 A N 0.913 123.770 122.820 0.061 0.000 1.978 409 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 409 A C 2.127 179.676 177.584 -0.059 0.000 1.170 409 A CA 1.949 53.997 52.037 0.019 0.000 0.636 409 A CB -0.442 18.568 19.000 0.016 0.000 0.810 409 A HN 0.274 nan 8.150 nan 0.000 0.448 410 V N -2.752 117.061 119.914 -0.168 0.000 3.319 410 V HA 0.288 4.408 4.120 -0.000 0.000 0.317 410 V C 0.463 176.379 176.094 -0.297 0.000 1.411 410 V CA 0.505 62.644 62.300 -0.268 0.000 1.112 410 V CB -0.878 30.685 31.823 -0.434 0.000 1.031 410 V HN 0.527 nan 8.190 nan 0.000 0.448 411 T N -3.176 111.283 114.554 -0.158 0.000 2.945 411 T HA 0.589 4.939 4.350 -0.000 0.000 0.286 411 T C 0.539 175.249 174.700 0.016 0.000 1.025 411 T CA -0.409 61.666 62.100 -0.043 0.000 1.039 411 T CB 2.545 71.489 68.868 0.127 0.000 1.068 411 T HN 0.036 nan 8.240 nan 0.000 0.497 412 K N 0.275 120.693 120.400 0.030 0.000 2.044 412 K HA 0.182 4.502 4.320 -0.000 0.000 0.204 412 K C 1.262 177.872 176.600 0.018 0.000 1.049 412 K CA 0.485 56.783 56.287 0.019 0.000 0.945 412 K CB -0.138 32.374 32.500 0.021 0.000 0.724 412 K HN 0.614 nan 8.250 nan 0.000 0.440 413 R N 1.366 121.899 120.500 0.056 0.000 2.623 413 R HA -0.005 4.335 4.340 -0.000 0.000 0.271 413 R C -0.766 175.436 176.300 -0.163 0.000 1.043 413 R CA 0.569 56.681 56.100 0.020 0.000 1.083 413 R CB 0.366 30.752 30.300 0.144 0.000 0.974 413 R HN -0.161 nan 8.270 nan 0.000 0.436 414 K N 2.576 122.816 120.400 -0.266 0.000 2.378 414 K HA 0.312 4.632 4.320 -0.000 0.000 0.252 414 K C -0.784 175.573 176.600 -0.404 0.000 0.931 414 K CA -0.650 55.351 56.287 -0.477 0.000 0.794 414 K CB 2.237 34.626 32.500 -0.184 0.000 1.181 414 K HN 0.825 nan 8.250 nan 0.000 0.425 415 T N -1.137 113.138 114.554 -0.465 0.000 2.924 415 T HA 0.571 4.921 4.350 -0.000 0.000 0.291 415 T C -0.160 174.546 174.700 0.009 0.000 1.045 415 T CA -0.963 61.102 62.100 -0.058 0.000 1.015 415 T CB 1.906 70.852 68.868 0.130 0.000 1.103 415 T HN 0.257 nan 8.240 nan 0.000 0.496 416 K N 0.094 120.484 120.400 -0.017 0.000 2.098 416 K HA 0.573 4.893 4.320 -0.000 0.000 0.257 416 K C -0.616 175.894 176.600 -0.150 0.000 0.999 416 K CA -0.743 55.496 56.287 -0.080 0.000 0.924 416 K CB 1.192 33.653 32.500 -0.066 0.000 1.028 416 K HN 0.729 nan 8.250 nan 0.000 0.466 417 C N 3.240 122.299 119.300 -0.401 0.000 2.281 417 C HA 0.551 5.011 4.460 -0.000 0.000 0.323 417 C C -0.634 174.125 174.990 -0.384 0.000 1.270 417 C CA -0.564 58.163 59.018 -0.484 0.000 1.559 417 C CB -0.588 26.598 27.740 -0.923 0.000 2.239 417 C HN 0.561 nan 8.230 nan 0.000 0.488 418 V N 5.933 125.765 119.914 -0.137 0.000 2.435 418 V HA 0.738 4.858 4.120 -0.000 0.000 0.290 418 V C -0.460 175.656 176.094 0.036 0.000 1.030 418 V CA -0.555 61.731 62.300 -0.023 0.000 0.881 418 V CB 1.422 33.246 31.823 0.002 0.000 0.983 418 V HN 0.929 nan 8.190 nan 0.000 0.445 419 M N 4.333 123.989 119.600 0.093 0.000 2.530 419 M HA 0.634 5.114 4.480 -0.000 0.000 0.307 419 M C -0.711 175.638 176.300 0.082 0.000 1.161 419 M CA -0.561 54.791 55.300 0.087 0.000 0.903 419 M CB 2.763 35.427 32.600 0.107 0.000 1.711 419 M HN 0.770 nan 8.290 nan 0.000 0.451 420 K N 3.073 123.516 120.400 0.073 0.000 2.535 420 K HA 0.562 4.881 4.320 -0.000 0.000 0.250 420 K C -2.014 174.617 176.600 0.052 0.000 0.948 420 K CA -0.440 55.900 56.287 0.089 0.000 0.796 420 K CB 2.454 35.031 32.500 0.128 0.000 1.216 420 K HN 0.877 nan 8.250 nan 0.000 0.432 421 M N 5.415 125.035 119.600 0.033 0.000 2.114 421 M HA 0.285 4.765 4.480 -0.000 0.000 0.332 421 M C -1.408 174.918 176.300 0.042 0.000 1.014 421 M CA -0.818 54.459 55.300 -0.039 0.000 0.956 421 M CB 1.327 33.844 32.600 -0.139 0.000 1.551 421 M HN 0.245 nan 8.290 nan 0.000 0.427 422 V N 5.083 125.010 119.914 0.022 0.000 2.406 422 V HA 0.365 4.484 4.120 -0.000 0.000 0.272 422 V C -0.351 175.729 176.094 -0.024 0.000 1.043 422 V CA -0.536 61.783 62.300 0.033 0.000 0.915 422 V CB 0.860 32.737 31.823 0.090 0.000 0.988 422 V HN 0.951 nan 8.190 nan 0.000 0.466 423 C N 4.136 123.421 119.300 -0.025 0.000 2.561 423 C HA 0.902 5.361 4.460 -0.000 0.000 0.319 423 C C 0.486 175.387 174.990 -0.148 0.000 1.198 423 C CA -0.654 58.325 59.018 -0.065 0.000 1.665 423 C CB 1.271 29.032 27.740 0.034 0.000 2.258 423 C HN 0.995 nan 8.230 nan 0.000 0.493 424 A N 3.805 126.473 122.820 -0.253 0.000 2.330 424 A HA 0.823 5.143 4.320 -0.000 0.000 0.313 424 A C -0.239 177.168 177.584 -0.295 0.000 1.124 424 A CA -0.172 51.592 52.037 -0.456 0.000 0.774 424 A CB 0.289 18.646 19.000 -1.071 0.000 1.198 424 A HN 1.159 nan 8.150 nan 0.000 0.465 425 N N -0.045 118.530 118.700 -0.208 0.000 6.961 425 N HA -0.193 4.546 4.740 -0.000 0.000 0.424 425 N C 0.730 176.202 175.510 -0.064 0.000 0.941 425 N CA 0.726 53.709 53.050 -0.112 0.000 1.267 425 N CB -0.348 38.074 38.487 -0.108 0.000 0.829 425 N HN 0.792 nan 8.380 nan 0.000 0.253 426 K N 1.283 121.663 120.400 -0.034 0.000 2.057 426 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 426 K C 1.735 178.327 176.600 -0.014 0.000 1.050 426 K CA 1.758 58.035 56.287 -0.017 0.000 0.935 426 K CB -0.018 32.478 32.500 -0.007 0.000 0.715 426 K HN 0.529 nan 8.250 nan 0.000 0.439 427 E N 1.208 121.397 120.200 -0.019 0.000 2.478 427 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 427 E C -0.690 175.898 176.600 -0.020 0.000 1.046 427 E CA 0.745 57.137 56.400 -0.013 0.000 0.870 427 E CB -0.219 29.475 29.700 -0.010 0.000 0.818 427 E HN 0.357 nan 8.360 nan 0.000 0.527 428 E N 1.320 121.498 120.200 -0.037 0.000 2.246 428 E HA -0.164 4.186 4.350 -0.000 0.000 0.211 428 E C -0.541 176.022 176.600 -0.061 0.000 1.278 428 E CA 0.357 56.733 56.400 -0.041 0.000 0.694 428 E CB -1.050 28.657 29.700 0.011 0.000 1.166 428 E HN 0.235 nan 8.360 nan 0.000 0.370 429 K N 1.074 121.425 120.400 -0.082 0.000 2.511 429 K HA 0.022 4.341 4.320 -0.000 0.000 0.280 429 K C 0.039 176.577 176.600 -0.104 0.000 1.008 429 K CA 0.173 56.415 56.287 -0.076 0.000 1.050 429 K CB 0.650 33.099 32.500 -0.086 0.000 0.889 429 K HN 0.025 nan 8.250 nan 0.000 0.484 430 V N 6.487 126.346 119.914 -0.092 0.000 2.397 430 V HA -0.033 4.086 4.120 -0.000 0.000 0.262 430 V C 1.189 177.239 176.094 -0.073 0.000 1.047 430 V CA -0.036 62.181 62.300 -0.138 0.000 1.003 430 V CB 0.612 32.287 31.823 -0.247 0.000 1.037 430 V HN 0.688 nan 8.190 nan 0.000 0.480 431 V N 1.995 121.867 119.914 -0.071 0.000 3.578 431 V HA 0.650 4.770 4.120 -0.000 0.000 0.290 431 V C 0.748 176.837 176.094 -0.007 0.000 1.376 431 V CA 0.629 62.922 62.300 -0.012 0.000 1.083 431 V CB 0.222 32.062 31.823 0.028 0.000 0.911 431 V HN 0.784 nan 8.190 nan 0.000 0.433 432 G N 0.347 109.111 108.800 -0.060 0.000 2.760 432 G HA2 0.707 4.667 3.960 -0.000 0.000 0.296 432 G HA3 0.707 4.667 3.960 -0.000 0.000 0.296 432 G C -1.556 173.177 174.900 -0.278 0.000 1.427 432 G CA -0.600 44.421 45.100 -0.132 0.000 1.109 432 G HN 0.187 nan 8.290 nan 0.000 0.553 433 I N 2.252 122.528 120.570 -0.489 0.000 2.545 433 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 433 I C -0.876 174.805 176.117 -0.726 0.000 1.040 433 I CA -0.929 60.100 61.300 -0.452 0.000 1.068 433 I CB 2.497 40.347 38.000 -0.249 0.000 1.251 433 I HN 0.417 nan 8.210 nan 0.000 0.424 434 H N 7.602 126.655 119.070 -0.028 0.000 2.877 434 H HA 0.654 5.210 4.556 -0.000 0.000 0.347 434 H C -1.058 174.270 175.328 0.001 0.000 1.042 434 H CA -0.750 55.299 56.048 0.001 0.000 1.276 434 H CB 2.151 31.925 29.762 0.020 0.000 1.681 434 H HN 0.571 nan 8.280 nan 0.000 0.521 435 M N 1.078 120.739 119.600 0.102 0.000 2.520 435 M HA 0.502 4.982 4.480 -0.000 0.000 0.283 435 M C -1.651 174.676 176.300 0.044 0.000 1.237 435 M CA -0.944 54.393 55.300 0.060 0.000 0.885 435 M CB 3.677 36.296 32.600 0.032 0.000 1.727 435 M HN 0.452 nan 8.290 nan 0.000 0.468 436 Q N 0.945 120.759 119.800 0.023 0.000 2.305 436 Q HA 0.814 5.154 4.340 -0.000 0.000 0.271 436 Q C -1.363 174.633 176.000 -0.005 0.000 1.046 436 Q CA -0.324 55.484 55.803 0.007 0.000 0.798 436 Q CB 2.715 31.455 28.738 0.003 0.000 1.286 436 Q HN 1.152 nan 8.270 nan 0.000 0.435 437 G N 2.064 110.873 108.800 0.015 0.000 2.368 437 G HA2 0.204 4.164 3.960 -0.000 0.000 0.293 437 G HA3 0.204 4.164 3.960 -0.000 0.000 0.293 437 G C -1.535 173.408 174.900 0.071 0.000 1.467 437 G CA -1.028 44.081 45.100 0.016 0.000 0.804 437 G HN 0.591 nan 8.290 nan 0.000 0.535 438 L N 1.293 122.568 121.223 0.087 0.000 2.584 438 L HA 0.295 4.635 4.340 -0.000 0.000 0.272 438 L C 1.708 178.642 176.870 0.108 0.000 1.195 438 L CA 1.899 56.800 54.840 0.101 0.000 0.920 438 L CB 0.361 42.453 42.059 0.055 0.000 1.173 438 L HN 1.793 nan 8.230 nan 0.000 0.489 439 G N 2.039 110.918 108.800 0.132 0.000 2.195 439 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 439 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 439 G C 0.798 175.767 174.900 0.115 0.000 0.984 439 G CA 0.122 45.299 45.100 0.128 0.000 0.633 439 G HN 0.691 nan 8.290 nan 0.000 0.525 440 C N 2.009 121.365 119.300 0.093 0.000 2.456 440 C HA 0.085 4.544 4.460 -0.000 0.000 0.279 440 C C 2.673 177.670 174.990 0.011 0.000 1.427 440 C CA 1.260 60.316 59.018 0.064 0.000 1.778 440 C CB -0.724 27.038 27.740 0.036 0.000 1.842 440 C HN 0.767 nan 8.230 nan 0.000 0.531 441 D N 0.943 121.333 120.400 -0.018 0.000 2.144 441 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 441 D C 1.490 177.793 176.300 0.004 0.000 0.978 441 D CA 1.307 55.250 54.000 -0.094 0.000 0.833 441 D CB -0.517 40.214 40.800 -0.114 0.000 0.961 441 D HN 0.422 nan 8.370 nan 0.000 0.470 442 E N -0.386 119.852 120.200 0.064 0.000 2.474 442 E HA 0.099 4.449 4.350 -0.000 0.000 0.194 442 E C 1.990 178.626 176.600 0.061 0.000 1.041 442 E CA -0.148 56.291 56.400 0.064 0.000 0.874 442 E CB 0.080 29.826 29.700 0.076 0.000 0.914 442 E HN 0.394 nan 8.360 nan 0.000 0.498 443 M N 0.204 119.860 119.600 0.094 0.000 2.254 443 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 443 M C 1.991 178.415 176.300 0.207 0.000 1.066 443 M CA 0.796 56.195 55.300 0.165 0.000 1.123 443 M CB 0.140 32.877 32.600 0.229 0.000 1.388 443 M HN 0.098 nan 8.290 nan 0.000 0.425 444 L N 0.071 121.382 121.223 0.146 0.000 2.131 444 L HA -0.139 4.200 4.340 -0.000 0.000 0.206 444 L C 2.265 179.208 176.870 0.120 0.000 1.087 444 L CA 1.716 56.659 54.840 0.172 0.000 0.767 444 L CB -0.660 41.436 42.059 0.062 0.000 0.917 444 L HN 0.268 nan 8.230 nan 0.000 0.441 445 Q N -0.265 119.557 119.800 0.037 0.000 2.077 445 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 445 Q C 2.104 178.083 176.000 -0.035 0.000 0.989 445 Q CA 2.243 58.046 55.803 -0.001 0.000 0.853 445 Q CB -0.909 27.819 28.738 -0.016 0.000 0.907 445 Q HN 0.528 nan 8.270 nan 0.000 0.418 446 G N -1.117 107.613 108.800 -0.116 0.000 2.418 446 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 446 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 446 G C 0.979 175.742 174.900 -0.229 0.000 1.158 446 G CA 0.787 45.746 45.100 -0.235 0.000 0.771 446 G HN 0.390 nan 8.290 nan 0.000 0.545 447 F N 1.585 121.522 119.950 -0.022 0.000 2.293 447 F HA 0.179 4.706 4.527 -0.000 0.000 0.300 447 F C 2.890 178.715 175.800 0.042 0.000 1.086 447 F CA 0.533 58.543 58.000 0.016 0.000 1.375 447 F CB -0.280 38.775 39.000 0.091 0.000 1.045 447 F HN 0.242 nan 8.300 nan 0.000 0.516 448 A N -0.372 122.548 122.820 0.168 0.000 1.968 448 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 448 A C 2.347 179.961 177.584 0.050 0.000 1.169 448 A CA 1.238 53.330 52.037 0.092 0.000 0.638 448 A CB -1.061 17.967 19.000 0.046 0.000 0.812 448 A HN 0.140 nan 8.150 nan 0.000 0.446 449 V N 0.186 120.110 119.914 0.016 0.000 2.252 449 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 449 V C 3.089 179.188 176.094 0.008 0.000 1.056 449 V CA 2.156 64.450 62.300 -0.009 0.000 1.022 449 V CB -1.345 30.450 31.823 -0.048 0.000 0.641 449 V HN 0.606 nan 8.190 nan 0.000 0.445 450 A N -0.505 122.324 122.820 0.015 0.000 1.917 450 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 450 A C 2.382 180.041 177.584 0.124 0.000 1.182 450 A CA 2.318 54.383 52.037 0.046 0.000 0.633 450 A CB -0.758 18.246 19.000 0.008 0.000 0.819 450 A HN 0.356 nan 8.150 nan 0.000 0.448 451 V N -0.007 120.000 119.914 0.154 0.000 2.453 451 V HA -0.177 3.942 4.120 -0.000 0.000 0.247 451 V C 2.480 178.616 176.094 0.070 0.000 1.048 451 V CA 1.987 64.365 62.300 0.130 0.000 1.049 451 V CB -0.493 31.395 31.823 0.109 0.000 0.672 451 V HN 0.486 nan 8.190 nan 0.000 0.457 452 K N -0.290 120.138 120.400 0.048 0.000 2.283 452 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 452 K C 1.823 178.437 176.600 0.023 0.000 1.048 452 K CA 1.129 57.431 56.287 0.025 0.000 0.948 452 K CB -0.118 32.386 32.500 0.007 0.000 0.742 452 K HN 0.441 nan 8.250 nan 0.000 0.458 453 M N -0.585 119.033 119.600 0.030 0.000 2.618 453 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 453 M C 0.706 177.028 176.300 0.035 0.000 1.123 453 M CA 0.579 55.894 55.300 0.025 0.000 1.060 453 M CB 0.364 32.974 32.600 0.017 0.000 1.535 453 M HN 0.204 nan 8.290 nan 0.000 0.507 454 G N 1.772 110.600 108.800 0.048 0.000 2.272 454 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.280 454 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.280 454 G C 0.099 175.038 174.900 0.066 0.000 1.067 454 G CA 0.060 45.189 45.100 0.049 0.000 0.902 454 G HN 0.716 nan 8.290 nan 0.000 0.500 455 A N 0.089 122.976 122.820 0.111 0.000 2.498 455 A HA 0.713 5.033 4.320 -0.000 0.000 0.239 455 A C 1.087 178.758 177.584 0.145 0.000 1.068 455 A CA 1.197 53.336 52.037 0.169 0.000 0.766 455 A CB 0.304 19.496 19.000 0.319 0.000 1.003 455 A HN 1.914 nan 8.150 nan 0.000 0.497 456 T N -0.632 113.999 114.554 0.129 0.000 2.948 456 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 456 T C 0.971 175.716 174.700 0.075 0.000 1.019 456 T CA -0.476 61.657 62.100 0.056 0.000 1.013 456 T CB 1.315 70.201 68.868 0.030 0.000 1.117 456 T HN 0.630 nan 8.240 nan 0.000 0.533 457 K N 0.075 120.450 120.400 -0.042 0.000 2.147 457 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 457 K C 2.353 178.966 176.600 0.021 0.000 1.049 457 K CA 1.178 57.401 56.287 -0.107 0.000 0.936 457 K CB -0.775 31.590 32.500 -0.226 0.000 0.722 457 K HN 0.717 nan 8.250 nan 0.000 0.446 458 A N 1.901 124.738 122.820 0.028 0.000 1.883 458 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 458 A C 1.667 179.300 177.584 0.081 0.000 1.186 458 A CA 2.074 54.135 52.037 0.039 0.000 0.624 458 A CB -0.588 18.427 19.000 0.025 0.000 0.822 458 A HN 0.380 nan 8.150 nan 0.000 0.444 459 D N -0.982 119.490 120.400 0.121 0.000 2.149 459 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 459 D C 1.631 178.004 176.300 0.122 0.000 0.990 459 D CA 1.249 55.316 54.000 0.111 0.000 0.839 459 D CB -0.365 40.507 40.800 0.120 0.000 0.948 459 D HN 0.473 nan 8.370 nan 0.000 0.460 460 F N 1.509 121.455 119.950 -0.005 0.000 2.113 460 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 460 F C 2.200 177.994 175.800 -0.009 0.000 1.103 460 F CA 0.945 58.952 58.000 0.011 0.000 1.248 460 F CB -0.351 38.640 39.000 -0.016 0.000 0.999 460 F HN -0.165 nan 8.300 nan 0.000 0.475 461 D N -0.615 119.879 120.400 0.157 0.000 2.264 461 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 461 D C 1.378 177.698 176.300 0.034 0.000 0.966 461 D CA 0.901 54.937 54.000 0.059 0.000 0.864 461 D CB -0.351 40.453 40.800 0.008 0.000 0.933 461 D HN 0.271 nan 8.370 nan 0.000 0.499 462 N N -0.105 118.614 118.700 0.032 0.000 2.230 462 N HA 0.015 4.755 4.740 -0.000 0.000 0.202 462 N C -0.388 175.119 175.510 -0.005 0.000 1.119 462 N CA 0.181 53.237 53.050 0.009 0.000 0.851 462 N CB 0.844 39.335 38.487 0.007 0.000 0.990 462 N HN 0.006 nan 8.380 nan 0.000 0.497 463 T N 1.152 115.701 114.554 -0.009 0.000 2.780 463 T HA 0.230 4.580 4.350 -0.000 0.000 0.294 463 T C 0.726 175.420 174.700 -0.010 0.000 0.949 463 T CA -0.352 61.730 62.100 -0.029 0.000 1.074 463 T CB 2.121 70.946 68.868 -0.072 0.000 0.910 463 T HN -0.228 nan 8.240 nan 0.000 0.501 464 V N 3.189 123.094 119.914 -0.014 0.000 2.673 464 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 464 V C 0.987 177.084 176.094 0.005 0.000 1.046 464 V CA -0.534 61.763 62.300 -0.005 0.000 1.126 464 V CB 0.188 32.006 31.823 -0.008 0.000 0.934 464 V HN 1.095 nan 8.190 nan 0.000 0.487 465 A N 6.045 128.874 122.820 0.016 0.000 2.351 465 A HA 0.631 4.950 4.320 -0.000 0.000 0.257 465 A C -0.270 177.345 177.584 0.051 0.000 1.087 465 A CA -0.365 51.695 52.037 0.038 0.000 0.798 465 A CB 0.077 19.097 19.000 0.033 0.000 1.033 465 A HN 0.747 nan 8.150 nan 0.000 0.488 466 I N 1.497 122.108 120.570 0.069 0.000 2.312 466 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 466 I C -0.134 176.059 176.117 0.127 0.000 1.008 466 I CA -0.090 61.255 61.300 0.077 0.000 1.226 466 I CB 1.092 39.120 38.000 0.046 0.000 1.371 466 I HN 0.800 nan 8.210 nan 0.000 0.468 467 H N 7.485 126.563 119.070 0.012 0.000 2.569 467 H HA 0.606 5.162 4.556 -0.000 0.000 0.357 467 H C -2.460 172.879 175.328 0.018 0.000 1.153 467 H CA -1.917 54.139 56.048 0.013 0.000 1.193 467 H CB 1.752 31.516 29.762 0.005 0.000 1.602 467 H HN 0.315 nan 8.280 nan 0.000 0.523 468 P HA 0.243 nan 4.420 nan 0.000 0.292 468 P C -1.127 176.090 177.300 -0.138 0.000 1.326 468 P CA -0.538 62.221 63.100 -0.569 0.000 0.787 468 P CB 0.936 32.227 31.700 -0.682 0.000 0.903 469 T N -1.797 112.752 114.554 -0.008 0.000 2.887 469 T HA 0.352 4.701 4.350 -0.000 0.000 0.292 469 T C 1.007 175.778 174.700 0.118 0.000 1.087 469 T CA -0.557 61.580 62.100 0.062 0.000 1.009 469 T CB 1.147 70.061 68.868 0.077 0.000 1.203 469 T HN 0.006 nan 8.240 nan 0.000 0.518 470 S N 0.749 116.561 115.700 0.188 0.000 2.383 470 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 470 S C 2.311 177.062 174.600 0.252 0.000 1.026 470 S CA 1.552 59.935 58.200 0.306 0.000 0.981 470 S CB -0.630 62.782 63.200 0.354 0.000 0.818 470 S HN 0.936 nan 8.310 nan 0.000 0.472 471 S N 2.403 118.231 115.700 0.214 0.000 2.423 471 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 471 S C 1.699 176.441 174.600 0.236 0.000 1.014 471 S CA 1.143 59.499 58.200 0.259 0.000 0.965 471 S CB -0.621 62.742 63.200 0.271 0.000 0.785 471 S HN 0.808 nan 8.310 nan 0.000 0.495 472 E N 1.244 121.538 120.200 0.157 0.000 2.333 472 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 472 E C 1.446 178.087 176.600 0.069 0.000 1.007 472 E CA 1.024 57.495 56.400 0.119 0.000 0.845 472 E CB -0.299 29.461 29.700 0.100 0.000 0.766 472 E HN 0.460 nan 8.360 nan 0.000 0.507 473 E N 1.016 121.231 120.200 0.026 0.000 2.204 473 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 473 E C 2.084 178.694 176.600 0.017 0.000 0.989 473 E CA 0.559 56.935 56.400 -0.040 0.000 0.824 473 E CB -0.117 29.497 29.700 -0.143 0.000 0.756 473 E HN 0.442 nan 8.360 nan 0.000 0.477 474 L N 0.837 122.088 121.223 0.047 0.000 2.376 474 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 474 L C 1.938 178.881 176.870 0.122 0.000 1.133 474 L CA 0.516 55.352 54.840 -0.007 0.000 0.816 474 L CB 0.118 42.021 42.059 -0.259 0.000 0.933 474 L HN 0.025 nan 8.230 nan 0.000 0.449 475 V N -5.209 114.797 119.914 0.154 0.000 3.483 475 V HA 0.135 4.255 4.120 -0.000 0.000 0.301 475 V C 1.229 177.360 176.094 0.063 0.000 1.389 475 V CA 0.660 63.062 62.300 0.169 0.000 1.101 475 V CB -0.140 31.779 31.823 0.159 0.000 0.971 475 V HN 0.401 nan 8.190 nan 0.000 0.434 476 T N -2.080 112.485 114.554 0.018 0.000 3.288 476 T HA 0.466 4.816 4.350 -0.000 0.000 0.293 476 T C 0.167 174.845 174.700 -0.036 0.000 1.008 476 T CA -0.290 61.800 62.100 -0.016 0.000 0.929 476 T CB -0.369 68.484 68.868 -0.024 0.000 1.152 476 T HN 0.321 nan 8.240 nan 0.000 0.517 477 L N 1.806 122.994 121.223 -0.059 0.000 2.456 477 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 477 L C 0.935 177.759 176.870 -0.076 0.000 1.189 477 L CA -0.395 54.409 54.840 -0.060 0.000 0.846 477 L CB 0.402 42.399 42.059 -0.102 0.000 1.111 477 L HN 0.129 nan 8.230 nan 0.000 0.475 478 R N 0.000 120.530 120.500 0.050 0.000 2.786 478 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 478 R CA 0.000 56.155 56.100 0.092 0.000 0.921 478 R CB 0.000 30.333 30.300 0.055 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535