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 3grt_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLESAW 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 0.000 176.055 176.094 -0.065 0.000 1.182 18 V CA 0.000 62.249 62.300 -0.085 0.000 1.235 18 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 19 A N 2.761 125.533 122.820 -0.081 0.000 2.328 19 A HA 0.822 5.142 4.320 0.000 0.000 0.284 19 A C 0.302 177.929 177.584 0.071 0.000 1.160 19 A CA -0.157 51.858 52.037 -0.037 0.000 0.818 19 A CB 0.714 19.706 19.000 -0.014 0.000 1.087 19 A HN 0.876 nan 8.150 nan 0.000 0.504 20 S N 1.159 116.846 115.700 -0.021 0.000 2.451 20 S HA 0.662 5.133 4.470 0.000 0.000 0.301 20 S C -0.999 173.600 174.600 -0.002 0.000 1.116 20 S CA -0.118 58.128 58.200 0.077 0.000 1.093 20 S CB 0.439 63.675 63.200 0.060 0.000 1.017 20 S HN 0.566 nan 8.310 nan 0.000 0.482 21 Y N 0.442 120.816 120.300 0.124 0.000 2.805 21 Y HA 0.419 4.969 4.550 0.000 0.000 0.321 21 Y C 1.318 177.328 175.900 0.183 0.000 1.203 21 Y CA -1.008 57.170 58.100 0.131 0.000 1.165 21 Y CB 0.787 39.319 38.460 0.120 0.000 1.371 21 Y HN 0.511 nan 8.280 nan 0.000 0.564 22 D N -1.188 119.457 120.400 0.408 0.000 2.338 22 D HA -0.017 4.623 4.640 0.000 0.000 0.208 22 D C -0.940 175.744 176.300 0.640 0.000 0.997 22 D CA 1.238 55.506 54.000 0.446 0.000 0.880 22 D CB 0.667 41.665 40.800 0.331 0.000 0.980 22 D HN 0.189 nan 8.370 nan 0.000 0.509 23 Y N 0.714 121.182 120.300 0.279 0.000 2.470 23 Y HA 0.411 4.961 4.550 0.000 0.000 0.341 23 Y C -1.528 174.411 175.900 0.066 0.000 1.021 23 Y CA -1.273 56.971 58.100 0.240 0.000 1.025 23 Y CB 1.570 40.069 38.460 0.066 0.000 1.266 23 Y HN -0.263 nan 8.280 nan 0.000 0.448 24 L N 7.152 128.323 121.223 -0.087 0.000 2.427 24 L HA 0.498 4.838 4.340 0.000 0.000 0.264 24 L C -1.627 175.009 176.870 -0.390 0.000 0.989 24 L CA -0.656 54.030 54.840 -0.257 0.000 0.865 24 L CB 1.169 43.161 42.059 -0.113 0.000 1.209 24 L HN 0.426 nan 8.230 nan 0.000 0.430 25 V N 5.644 125.272 119.914 -0.476 0.000 2.364 25 V HA 0.351 4.471 4.120 0.000 0.000 0.272 25 V C 0.544 176.459 176.094 -0.298 0.000 1.036 25 V CA -0.658 61.385 62.300 -0.428 0.000 0.880 25 V CB 1.555 33.121 31.823 -0.428 0.000 0.991 25 V HN 0.401 nan 8.190 nan 0.000 0.460 26 I N 4.642 125.080 120.570 -0.221 0.000 2.308 26 I HA 0.624 4.794 4.170 0.000 0.000 0.293 26 I C 0.863 176.895 176.117 -0.143 0.000 1.078 26 I CA 0.303 61.481 61.300 -0.204 0.000 1.292 26 I CB -0.030 37.860 38.000 -0.183 0.000 1.423 26 I HN 0.909 nan 8.210 nan 0.000 0.493 27 G N 3.994 112.703 108.800 -0.151 0.000 3.393 27 G HA2 0.051 4.011 3.960 0.000 0.000 0.676 27 G HA3 0.051 4.011 3.960 0.000 0.000 0.676 27 G C 0.054 174.887 174.900 -0.112 0.000 1.224 27 G CA -0.596 44.444 45.100 -0.100 0.000 1.109 27 G HN 0.981 nan 8.290 nan 0.000 0.519 28 G N 0.777 109.512 108.800 -0.108 0.000 3.943 28 G HA2 0.661 4.621 3.960 0.000 0.000 0.275 28 G HA3 0.661 4.621 3.960 0.000 0.000 0.275 28 G C 0.832 175.677 174.900 -0.091 0.000 1.234 28 G CA 0.857 45.881 45.100 -0.126 0.000 1.522 28 G HN 1.209 nan 8.290 nan 0.000 0.636 29 G N 0.135 108.899 108.800 -0.059 0.000 2.940 29 G HA2 0.396 4.356 3.960 0.000 0.000 0.164 29 G HA3 0.396 4.356 3.960 0.000 0.000 0.164 29 G C 1.249 176.150 174.900 0.001 0.000 1.326 29 G CA 0.425 45.505 45.100 -0.034 0.000 1.020 29 G HN 0.200 nan 8.290 nan 0.000 0.586 30 S N -0.060 115.658 115.700 0.030 0.000 2.351 30 S HA -0.121 4.350 4.470 0.000 0.000 0.220 30 S C 2.431 177.080 174.600 0.083 0.000 1.035 30 S CA 1.788 60.032 58.200 0.074 0.000 1.031 30 S CB -0.816 62.426 63.200 0.071 0.000 0.928 30 S HN 0.760 nan 8.310 nan 0.000 0.433 31 G N 0.960 109.799 108.800 0.065 0.000 2.394 31 G HA2 0.096 4.056 3.960 0.000 0.000 0.215 31 G HA3 0.096 4.056 3.960 0.000 0.000 0.215 31 G C 1.417 176.344 174.900 0.044 0.000 1.165 31 G CA 0.821 45.962 45.100 0.068 0.000 0.784 31 G HN 0.561 nan 8.290 nan 0.000 0.535 32 G N 1.423 110.225 108.800 0.003 0.000 2.587 32 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 32 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 32 G C 1.792 176.637 174.900 -0.091 0.000 1.240 32 G CA 1.032 46.098 45.100 -0.057 0.000 0.794 32 G HN 0.384 nan 8.290 nan 0.000 0.580 33 L N 0.295 121.438 121.223 -0.132 0.000 1.990 33 L HA -0.167 4.173 4.340 0.000 0.000 0.213 33 L C 2.807 179.630 176.870 -0.078 0.000 1.072 33 L CA 2.012 56.675 54.840 -0.296 0.000 0.755 33 L CB -0.720 41.102 42.059 -0.395 0.000 0.889 33 L HN 0.345 nan 8.230 nan 0.000 0.432 34 E N 0.074 120.376 120.200 0.170 0.000 2.130 34 E HA -0.241 4.109 4.350 0.000 0.000 0.196 34 E C 2.295 179.004 176.600 0.182 0.000 0.998 34 E CA 1.787 58.358 56.400 0.285 0.000 0.806 34 E CB -0.142 29.678 29.700 0.199 0.000 0.738 34 E HN 0.255 nan 8.360 nan 0.000 0.459 35 S N -1.265 114.510 115.700 0.126 0.000 2.383 35 S HA -0.043 4.427 4.470 0.000 0.000 0.227 35 S C 1.895 176.636 174.600 0.233 0.000 1.026 35 S CA 1.073 59.376 58.200 0.171 0.000 0.981 35 S CB -0.396 62.939 63.200 0.225 0.000 0.818 35 S HN 0.484 nan 8.310 nan 0.000 0.472 36 A N 0.619 123.514 122.820 0.125 0.000 1.929 36 A HA -0.020 4.300 4.320 0.000 0.000 0.216 36 A C 1.952 179.567 177.584 0.052 0.000 1.176 36 A CA 0.942 53.019 52.037 0.067 0.000 0.628 36 A CB -0.820 18.091 19.000 -0.149 0.000 0.816 36 A HN 0.717 nan 8.150 nan 0.000 0.444 37 W N 0.209 121.499 121.300 -0.016 0.000 2.355 37 W HA -0.093 4.567 4.660 0.000 0.000 0.309 37 W C 2.443 178.919 176.519 -0.072 0.000 1.206 37 W CA 1.608 58.925 57.345 -0.048 0.000 1.284 37 W CB -0.717 28.713 29.460 -0.050 0.000 1.145 37 W HN 0.243 nan 8.180 nan 0.000 0.502 38 R N 0.394 120.984 120.500 0.150 0.000 2.091 38 R HA -0.121 4.219 4.340 0.000 0.000 0.238 38 R C 2.355 178.605 176.300 -0.083 0.000 1.136 38 R CA 2.032 58.123 56.100 -0.014 0.000 0.959 38 R CB -1.276 28.947 30.300 -0.128 0.000 0.856 38 R HN 0.074 nan 8.270 nan 0.000 0.437 39 A N -0.056 122.682 122.820 -0.137 0.000 1.873 39 A HA -0.043 4.278 4.320 0.000 0.000 0.215 39 A C 2.286 179.677 177.584 -0.321 0.000 1.186 39 A CA 1.774 53.562 52.037 -0.414 0.000 0.616 39 A CB -0.986 17.621 19.000 -0.655 0.000 0.823 39 A HN 0.359 nan 8.150 nan 0.000 0.442 40 A N -0.161 122.581 122.820 -0.129 0.000 1.972 40 A HA -0.183 4.137 4.320 0.000 0.000 0.219 40 A C 2.011 179.602 177.584 0.011 0.000 1.169 40 A CA 1.748 53.764 52.037 -0.035 0.000 0.635 40 A CB -0.505 18.531 19.000 0.061 0.000 0.810 40 A HN 0.717 nan 8.150 nan 0.000 0.446 41 E N -0.285 119.925 120.200 0.018 0.000 2.427 41 E HA -0.021 4.329 4.350 0.000 0.000 0.196 41 E C 1.150 177.765 176.600 0.025 0.000 1.028 41 E CA 0.404 56.823 56.400 0.032 0.000 0.864 41 E CB -0.110 29.608 29.700 0.030 0.000 0.813 41 E HN 0.615 nan 8.360 nan 0.000 0.514 42 L N -0.455 120.763 121.223 -0.008 0.000 2.667 42 L HA 0.296 4.636 4.340 0.000 0.000 0.232 42 L C 1.288 178.166 176.870 0.013 0.000 1.138 42 L CA 0.438 55.291 54.840 0.021 0.000 0.921 42 L CB 0.646 42.728 42.059 0.038 0.000 1.180 42 L HN 0.424 nan 8.230 nan 0.000 0.487 43 G N -0.284 108.509 108.800 -0.010 0.000 2.232 43 G HA2 -0.256 3.704 3.960 0.000 0.000 0.226 43 G HA3 -0.256 3.704 3.960 0.000 0.000 0.226 43 G C 0.524 175.405 174.900 -0.031 0.000 0.996 43 G CA -0.057 45.046 45.100 0.005 0.000 0.626 43 G HN 0.441 nan 8.290 nan 0.000 0.509 44 A N -0.123 122.602 122.820 -0.158 0.000 2.366 44 A HA 0.730 5.050 4.320 0.000 0.000 0.250 44 A C 0.657 178.182 177.584 -0.098 0.000 1.099 44 A CA 1.099 53.001 52.037 -0.226 0.000 0.794 44 A CB 0.367 18.869 19.000 -0.831 0.000 1.056 44 A HN 1.376 nan 8.150 nan 0.000 0.499 45 R N -0.122 120.376 120.500 -0.004 0.000 2.337 45 R HA 0.641 4.981 4.340 0.000 0.000 0.319 45 R C -0.613 175.801 176.300 0.189 0.000 0.954 45 R CA 0.507 56.675 56.100 0.114 0.000 0.840 45 R CB 0.386 30.778 30.300 0.152 0.000 1.164 45 R HN 1.012 nan 8.270 nan 0.000 0.472 46 A N 2.479 125.370 122.820 0.118 0.000 2.387 46 A HA 0.946 5.266 4.320 0.000 0.000 0.298 46 A C -1.182 176.333 177.584 -0.115 0.000 1.165 46 A CA -0.434 51.624 52.037 0.035 0.000 0.814 46 A CB 1.771 20.794 19.000 0.038 0.000 1.357 46 A HN 0.960 nan 8.150 nan 0.000 0.443 47 A N 0.171 122.788 122.820 -0.339 0.000 2.466 47 A HA 0.569 4.889 4.320 0.000 0.000 0.284 47 A C -1.056 176.287 177.584 -0.401 0.000 1.049 47 A CA -0.323 51.454 52.037 -0.434 0.000 0.760 47 A CB 0.750 19.238 19.000 -0.854 0.000 1.274 47 A HN 1.173 nan 8.150 nan 0.000 0.412 48 V N 2.830 122.553 119.914 -0.318 0.000 2.488 48 V HA 0.230 4.350 4.120 0.000 0.000 0.277 48 V C 0.271 176.185 176.094 -0.301 0.000 1.046 48 V CA -0.235 61.882 62.300 -0.305 0.000 0.986 48 V CB 1.320 32.973 31.823 -0.282 0.000 0.989 48 V HN 0.594 nan 8.190 nan 0.000 0.475 49 V N 4.682 124.409 119.914 -0.313 0.000 2.334 49 V HA 0.358 4.478 4.120 0.000 0.000 0.267 49 V C 0.041 175.998 176.094 -0.227 0.000 1.040 49 V CA -0.361 61.754 62.300 -0.308 0.000 0.866 49 V CB 1.137 32.743 31.823 -0.361 0.000 1.019 49 V HN 0.927 nan 8.190 nan 0.000 0.468 50 E N 3.313 123.399 120.200 -0.189 0.000 2.165 50 E HA 0.360 4.711 4.350 0.000 0.000 0.266 50 E C 0.773 177.290 176.600 -0.139 0.000 0.889 50 E CA -0.124 56.192 56.400 -0.140 0.000 0.756 50 E CB 2.009 31.640 29.700 -0.115 0.000 1.131 50 E HN 0.495 nan 8.360 nan 0.000 0.411 51 S N 3.532 119.146 115.700 -0.143 0.000 2.496 51 S HA 0.062 4.532 4.470 0.000 0.000 0.224 51 S C 0.191 174.485 174.600 -0.510 0.000 0.996 51 S CA 1.013 59.056 58.200 -0.262 0.000 0.927 51 S CB -0.022 63.059 63.200 -0.199 0.000 0.774 51 S HN 0.665 nan 8.310 nan 0.000 0.524 52 H N -0.176 118.881 119.070 -0.022 0.000 5.199 52 H HA 0.528 5.084 4.556 0.000 0.000 0.185 52 H C -0.675 174.633 175.328 -0.034 0.000 1.309 52 H CA -0.758 55.279 56.048 -0.020 0.000 0.262 52 H CB 0.440 30.195 29.762 -0.012 0.000 1.619 52 H HN -0.008 nan 8.280 nan 0.000 0.311 53 K N 1.618 122.095 120.400 0.128 0.000 2.159 53 K HA 0.379 4.699 4.320 0.000 0.000 0.266 53 K C -0.818 175.767 176.600 -0.025 0.000 0.975 53 K CA -0.414 55.886 56.287 0.022 0.000 0.865 53 K CB 1.845 34.344 32.500 -0.002 0.000 1.087 53 K HN 0.147 nan 8.250 nan 0.000 0.446 54 L N 0.912 122.103 121.223 -0.053 0.000 2.461 54 L HA 0.095 4.435 4.340 0.000 0.000 0.272 54 L C 1.406 178.169 176.870 -0.178 0.000 1.197 54 L CA 0.876 55.664 54.840 -0.087 0.000 0.836 54 L CB 0.314 42.344 42.059 -0.048 0.000 1.105 54 L HN 1.098 nan 8.230 nan 0.000 0.477 55 G N 0.616 109.284 108.800 -0.220 0.000 2.238 55 G HA2 -0.003 3.958 3.960 0.000 0.000 0.217 55 G HA3 -0.003 3.958 3.960 0.000 0.000 0.217 55 G C 0.627 175.404 174.900 -0.205 0.000 0.996 55 G CA -0.215 44.654 45.100 -0.386 0.000 0.632 55 G HN 1.443 nan 8.290 nan 0.000 0.503 56 G N -0.841 107.885 108.800 -0.123 0.000 2.569 56 G HA2 -0.075 3.885 3.960 0.000 0.000 0.259 56 G HA3 -0.075 3.885 3.960 0.000 0.000 0.259 56 G C 0.957 175.822 174.900 -0.057 0.000 1.263 56 G CA 1.260 46.323 45.100 -0.063 0.000 0.928 56 G HN 1.281 nan 8.290 nan 0.000 0.572 57 T N -0.365 114.177 114.554 -0.020 0.000 2.812 57 T HA -0.116 4.234 4.350 0.000 0.000 0.264 57 T C 2.439 177.132 174.700 -0.012 0.000 1.042 57 T CA 2.317 64.419 62.100 0.003 0.000 1.140 57 T CB -0.598 68.295 68.868 0.043 0.000 0.870 57 T HN 0.955 nan 8.240 nan 0.000 0.445 58 c N 1.302 119.890 118.600 -0.019 0.000 2.413 58 c HA -0.083 4.487 4.570 0.000 0.000 0.277 58 c C 2.736 176.761 174.090 -0.110 0.000 1.228 58 c CA 0.859 57.168 56.329 -0.033 0.000 1.731 58 c CB -1.178 41.322 42.510 -0.016 0.000 2.042 58 c HN 0.381 nan 8.230 nan 0.000 0.468 59 V N 1.854 121.665 119.914 -0.171 0.000 2.379 59 V HA -0.142 3.978 4.120 0.000 0.000 0.245 59 V C 2.339 178.290 176.094 -0.239 0.000 1.044 59 V CA 2.313 64.460 62.300 -0.254 0.000 1.036 59 V CB -0.771 30.819 31.823 -0.388 0.000 0.664 59 V HN 0.578 nan 8.190 nan 0.000 0.453 60 N N 0.580 119.169 118.700 -0.185 0.000 2.290 60 N HA -0.032 4.708 4.740 0.000 0.000 0.179 60 N C 1.067 176.479 175.510 -0.162 0.000 1.016 60 N CA 1.856 54.813 53.050 -0.154 0.000 0.871 60 N CB 0.621 39.048 38.487 -0.100 0.000 0.987 60 N HN 0.565 nan 8.380 nan 0.000 0.431 61 V N -3.747 116.097 119.914 -0.115 0.000 3.098 61 V HA 0.650 4.771 4.120 0.000 0.000 0.416 61 V C 0.349 176.507 176.094 0.106 0.000 1.449 61 V CA -0.245 62.039 62.300 -0.026 0.000 1.486 61 V CB 0.572 32.545 31.823 0.250 0.000 1.277 61 V HN 0.144 nan 8.190 nan 0.000 0.623 62 G N -0.048 108.719 108.800 -0.055 0.000 3.324 62 G HA2 0.213 4.173 3.960 0.000 0.000 0.188 62 G HA3 0.213 4.173 3.960 0.000 0.000 0.188 62 G C 0.989 175.903 174.900 0.022 0.000 1.384 62 G CA 0.725 45.874 45.100 0.082 0.000 0.841 62 G HN 0.310 nan 8.290 nan 0.000 0.758 63 c N 0.434 119.045 118.600 0.018 0.000 2.367 63 c HA -0.057 4.513 4.570 0.000 0.000 0.276 63 c C 2.886 176.930 174.090 -0.076 0.000 1.195 63 c CA 1.061 57.384 56.329 -0.011 0.000 1.756 63 c CB -1.502 41.005 42.510 -0.006 0.000 2.046 63 c HN 0.259 nan 8.230 nan 0.000 0.453 64 V N 2.501 122.349 119.914 -0.110 0.000 2.220 64 V HA -0.172 3.948 4.120 0.000 0.000 0.246 64 V C 0.082 176.102 176.094 -0.123 0.000 1.049 64 V CA 2.723 64.953 62.300 -0.116 0.000 1.003 64 V CB -2.002 29.702 31.823 -0.197 0.000 0.634 64 V HN 0.359 nan 8.190 nan 0.000 0.444 65 P HA -0.162 nan 4.420 nan 0.000 0.216 65 P C 1.776 179.012 177.300 -0.106 0.000 1.153 65 P CA 1.339 64.221 63.100 -0.364 0.000 0.848 65 P CB -0.139 30.912 31.700 -1.082 0.000 0.787 66 K N 0.639 121.027 120.400 -0.020 0.000 1.991 66 K HA -0.222 4.098 4.320 0.000 0.000 0.212 66 K C 1.981 178.658 176.600 0.129 0.000 1.049 66 K CA 1.760 58.198 56.287 0.252 0.000 0.932 66 K CB -0.778 31.868 32.500 0.243 0.000 0.717 66 K HN -0.122 nan 8.250 nan 0.000 0.441 67 K N 0.908 121.277 120.400 -0.051 0.000 2.074 67 K HA -0.105 4.215 4.320 0.000 0.000 0.209 67 K C 2.235 178.874 176.600 0.066 0.000 1.048 67 K CA 1.153 57.362 56.287 -0.130 0.000 0.926 67 K CB -0.580 31.764 32.500 -0.261 0.000 0.713 67 K HN 0.092 nan 8.250 nan 0.000 0.444 68 V N 1.315 121.264 119.914 0.059 0.000 2.295 68 V HA -0.280 3.840 4.120 0.000 0.000 0.246 68 V C 2.468 178.603 176.094 0.067 0.000 1.049 68 V CA 1.549 63.881 62.300 0.053 0.000 1.024 68 V CB -0.364 31.482 31.823 0.038 0.000 0.648 68 V HN 0.279 nan 8.190 nan 0.000 0.447 69 M N -1.712 117.961 119.600 0.121 0.000 2.229 69 M HA -0.152 4.329 4.480 0.000 0.000 0.264 69 M C 1.936 178.345 176.300 0.181 0.000 1.063 69 M CA 1.395 56.774 55.300 0.131 0.000 1.114 69 M CB -1.277 31.496 32.600 0.288 0.000 1.387 69 M HN 0.638 nan 8.290 nan 0.000 0.420 70 W N 2.154 123.468 121.300 0.024 0.000 2.381 70 W HA -0.140 4.520 4.660 0.000 0.000 0.301 70 W C 1.937 178.453 176.519 -0.005 0.000 1.205 70 W CA 1.319 58.678 57.345 0.023 0.000 1.285 70 W CB -0.320 29.102 29.460 -0.063 0.000 1.133 70 W HN 0.229 nan 8.180 nan 0.000 0.521 71 N N -0.212 118.610 118.700 0.203 0.000 2.149 71 N HA -0.168 4.572 4.740 0.000 0.000 0.188 71 N C 1.554 176.997 175.510 -0.112 0.000 1.019 71 N CA 2.344 55.404 53.050 0.017 0.000 0.857 71 N CB -0.903 37.630 38.487 0.077 0.000 0.997 71 N HN 0.188 nan 8.380 nan 0.000 0.426 72 T N 0.705 115.201 114.554 -0.097 0.000 2.777 72 T HA 0.008 4.358 4.350 0.000 0.000 0.266 72 T C 1.996 176.569 174.700 -0.212 0.000 1.040 72 T CA 1.224 63.238 62.100 -0.144 0.000 1.141 72 T CB -0.305 68.476 68.868 -0.145 0.000 0.868 72 T HN 0.316 nan 8.240 nan 0.000 0.444 73 A N 1.158 123.841 122.820 -0.228 0.000 1.933 73 A HA -0.044 4.276 4.320 0.000 0.000 0.218 73 A C 2.519 179.887 177.584 -0.360 0.000 1.175 73 A CA 1.242 53.112 52.037 -0.278 0.000 0.628 73 A CB -1.004 17.907 19.000 -0.148 0.000 0.814 73 A HN 0.363 nan 8.150 nan 0.000 0.444 74 V N -0.552 119.092 119.914 -0.450 0.000 2.720 74 V HA -0.232 3.889 4.120 0.000 0.000 0.256 74 V C 2.332 178.065 176.094 -0.602 0.000 1.082 74 V CA 1.909 63.815 62.300 -0.656 0.000 1.101 74 V CB -1.052 30.265 31.823 -0.844 0.000 0.693 74 V HN 0.688 nan 8.190 nan 0.000 0.479 75 H N 0.040 118.866 119.070 -0.408 0.000 2.403 75 H HA -0.079 4.478 4.556 0.000 0.000 0.298 75 H C 2.570 177.728 175.328 -0.283 0.000 1.059 75 H CA 1.708 57.597 56.048 -0.264 0.000 1.363 75 H CB 0.280 29.930 29.762 -0.186 0.000 1.410 75 H HN 0.586 nan 8.280 nan 0.000 0.528 76 S N 0.235 115.775 115.700 -0.266 0.000 2.387 76 S HA -0.119 4.351 4.470 0.000 0.000 0.226 76 S C 1.944 176.223 174.600 -0.536 0.000 1.026 76 S CA 1.137 59.129 58.200 -0.347 0.000 0.972 76 S CB 0.060 63.065 63.200 -0.326 0.000 0.814 76 S HN 0.240 nan 8.310 nan 0.000 0.477 77 E N 1.017 120.933 120.200 -0.474 0.000 2.021 77 E HA -0.083 4.267 4.350 0.000 0.000 0.200 77 E C 1.635 178.103 176.600 -0.220 0.000 1.015 77 E CA 1.851 58.018 56.400 -0.388 0.000 0.824 77 E CB -0.607 28.771 29.700 -0.536 0.000 0.762 77 E HN 0.601 nan 8.360 nan 0.000 0.454 78 F N 0.249 120.078 119.950 -0.201 0.000 2.307 78 F HA -0.109 4.418 4.527 0.000 0.000 0.301 78 F C 2.268 177.979 175.800 -0.148 0.000 1.076 78 F CA 1.032 58.952 58.000 -0.134 0.000 1.383 78 F CB -0.840 38.017 39.000 -0.238 0.000 1.055 78 F HN 0.181 nan 8.300 nan 0.000 0.526 79 M N -0.514 119.003 119.600 -0.138 0.000 2.213 79 M HA -0.229 4.251 4.480 0.000 0.000 0.263 79 M C 2.033 178.341 176.300 0.012 0.000 1.062 79 M CA 1.816 57.005 55.300 -0.185 0.000 1.105 79 M CB -0.439 31.993 32.600 -0.281 0.000 1.385 79 M HN 0.070 nan 8.290 nan 0.000 0.417 80 H N 0.516 119.657 119.070 0.117 0.000 2.457 80 H HA -0.011 4.545 4.556 0.000 0.000 0.294 80 H C 0.804 176.259 175.328 0.211 0.000 1.064 80 H CA 1.214 57.348 56.048 0.143 0.000 1.330 80 H CB -0.314 29.516 29.762 0.114 0.000 1.395 80 H HN 0.528 nan 8.280 nan 0.000 0.541 81 D N -0.688 119.951 120.400 0.399 0.000 2.342 81 D HA -0.030 4.610 4.640 0.000 0.000 0.221 81 D C 1.558 178.132 176.300 0.456 0.000 1.101 81 D CA 0.067 54.315 54.000 0.413 0.000 0.837 81 D CB 0.097 41.205 40.800 0.513 0.000 0.938 81 D HN 0.352 nan 8.370 nan 0.000 0.508 82 H N 2.035 121.251 119.070 0.244 0.000 2.270 82 H HA -0.010 4.546 4.556 0.000 0.000 0.299 82 H C 2.064 177.595 175.328 0.338 0.000 1.077 82 H CA 2.048 58.233 56.048 0.229 0.000 1.294 82 H CB -0.047 29.777 29.762 0.103 0.000 1.371 82 H HN 0.098 nan 8.280 nan 0.000 0.491 83 A N 0.522 123.499 122.820 0.262 0.000 1.908 83 A HA -0.189 4.131 4.320 0.000 0.000 0.218 83 A C 2.061 179.704 177.584 0.099 0.000 1.181 83 A CA 1.955 54.079 52.037 0.145 0.000 0.627 83 A CB -0.541 18.536 19.000 0.128 0.000 0.818 83 A HN 0.491 nan 8.150 nan 0.000 0.445 84 D N -1.753 118.714 120.400 0.112 0.000 2.265 84 D HA -0.129 4.512 4.640 0.000 0.000 0.208 84 D C 0.474 176.690 176.300 -0.140 0.000 0.977 84 D CA 1.098 55.089 54.000 -0.016 0.000 0.871 84 D CB -0.232 40.549 40.800 -0.033 0.000 0.925 84 D HN 0.635 nan 8.370 nan 0.000 0.485 85 Y N -0.476 119.852 120.300 0.046 0.000 2.625 85 Y HA 0.327 4.877 4.550 0.000 0.000 0.285 85 Y C 1.625 177.472 175.900 -0.087 0.000 1.168 85 Y CA 0.035 58.163 58.100 0.047 0.000 1.250 85 Y CB 0.627 39.206 38.460 0.199 0.000 1.130 85 Y HN 0.005 nan 8.280 nan 0.000 0.526 86 G N -0.684 108.074 108.800 -0.070 0.000 2.159 86 G HA2 -0.307 3.653 3.960 0.000 0.000 0.256 86 G HA3 -0.307 3.653 3.960 0.000 0.000 0.256 86 G C -0.087 174.555 174.900 -0.431 0.000 0.977 86 G CA -0.060 44.880 45.100 -0.268 0.000 0.652 86 G HN 0.239 nan 8.290 nan 0.000 0.531 87 F N 0.430 120.249 119.950 -0.220 0.000 2.509 87 F HA 0.680 5.208 4.527 0.000 0.000 0.334 87 F C -1.767 173.923 175.800 -0.182 0.000 1.060 87 F CA -2.610 55.194 58.000 -0.326 0.000 0.997 87 F CB 1.104 39.533 39.000 -0.951 0.000 1.271 87 F HN -0.175 nan 8.300 nan 0.000 0.488 88 P HA 0.266 nan 4.420 nan 0.000 0.276 88 P C -1.015 176.422 177.300 0.228 0.000 1.252 88 P CA -0.459 62.726 63.100 0.142 0.000 0.802 88 P CB 0.819 32.599 31.700 0.133 0.000 1.035 89 S N -0.156 115.657 115.700 0.187 0.000 2.624 89 S HA 0.375 4.846 4.470 0.000 0.000 0.263 89 S C -0.348 174.362 174.600 0.183 0.000 1.287 89 S CA -0.297 58.029 58.200 0.211 0.000 0.990 89 S CB 0.097 63.389 63.200 0.154 0.000 0.950 89 S HN 0.456 nan 8.310 nan 0.000 0.561 90 C N 1.652 121.041 119.300 0.148 0.000 2.431 90 C HA 0.441 4.901 4.460 0.000 0.000 0.321 90 C C 1.351 176.394 174.990 0.089 0.000 1.202 90 C CA -0.958 58.117 59.018 0.095 0.000 1.398 90 C CB 0.615 28.381 27.740 0.043 0.000 2.047 90 C HN 1.019 nan 8.230 nan 0.000 0.465 91 E N 1.696 121.943 120.200 0.079 0.000 2.038 91 E HA 0.175 4.525 4.350 0.000 0.000 0.195 91 E C 1.495 178.147 176.600 0.086 0.000 1.000 91 E CA 1.532 57.979 56.400 0.080 0.000 0.803 91 E CB -0.299 29.440 29.700 0.065 0.000 0.750 91 E HN 1.499 nan 8.360 nan 0.000 0.448 92 G N 0.840 109.686 108.800 0.077 0.000 2.215 92 G HA2 -0.314 3.646 3.960 0.000 0.000 0.198 92 G HA3 -0.314 3.646 3.960 0.000 0.000 0.198 92 G C -0.229 174.743 174.900 0.120 0.000 1.047 92 G CA -0.009 45.145 45.100 0.090 0.000 0.747 92 G HN 0.290 nan 8.290 nan 0.000 0.495 93 K N 0.722 121.182 120.400 0.100 0.000 2.245 93 K HA 0.334 4.654 4.320 0.000 0.000 0.281 93 K C 0.330 177.011 176.600 0.134 0.000 1.079 93 K CA -0.759 55.590 56.287 0.104 0.000 1.000 93 K CB -0.281 32.254 32.500 0.058 0.000 1.038 93 K HN 0.257 nan 8.250 nan 0.000 0.430 94 F N 4.548 124.524 119.950 0.043 0.000 2.495 94 F HA 0.123 4.650 4.527 0.000 0.000 0.365 94 F C -0.016 175.829 175.800 0.075 0.000 1.090 94 F CA -0.369 57.660 58.000 0.049 0.000 1.235 94 F CB 0.515 39.553 39.000 0.063 0.000 1.119 94 F HN 0.440 nan 8.300 nan 0.000 0.562 95 N N 7.614 125.853 118.700 -0.769 0.000 2.457 95 N HA -0.026 4.714 4.740 0.000 0.000 0.250 95 N C 0.805 175.704 175.510 -1.018 0.000 0.982 95 N CA -0.383 52.290 53.050 -0.628 0.000 0.941 95 N CB 0.414 38.716 38.487 -0.308 0.000 1.120 95 N HN 0.969 nan 8.380 nan 0.000 0.505 96 W N 5.079 125.835 121.300 -0.907 0.000 2.332 96 W HA -0.150 4.510 4.660 0.000 0.000 0.321 96 W C 1.362 177.707 176.519 -0.289 0.000 1.219 96 W CA 1.312 58.326 57.345 -0.552 0.000 1.277 96 W CB 0.060 29.432 29.460 -0.147 0.000 1.161 96 W HN 0.620 nan 8.180 nan 0.000 0.476 97 R N -0.060 120.490 120.500 0.084 0.000 2.139 97 R HA -0.199 4.141 4.340 0.000 0.000 0.243 97 R C 2.005 178.257 176.300 -0.080 0.000 1.145 97 R CA 1.925 58.046 56.100 0.034 0.000 0.976 97 R CB -0.833 29.494 30.300 0.046 0.000 0.866 97 R HN 0.145 nan 8.270 nan 0.000 0.449 98 V N 0.973 120.802 119.914 -0.143 0.000 2.255 98 V HA -0.251 3.869 4.120 0.000 0.000 0.247 98 V C 2.121 178.134 176.094 -0.135 0.000 1.051 98 V CA 1.775 63.997 62.300 -0.131 0.000 1.018 98 V CB -0.361 31.372 31.823 -0.151 0.000 0.641 98 V HN 0.243 nan 8.190 nan 0.000 0.445 99 I N -0.529 119.929 120.570 -0.187 0.000 2.761 99 I HA -0.098 4.072 4.170 0.000 0.000 0.261 99 I C 2.293 178.296 176.117 -0.189 0.000 1.198 99 I CA 1.400 62.605 61.300 -0.159 0.000 1.482 99 I CB -0.498 37.442 38.000 -0.100 0.000 1.100 99 I HN 0.176 nan 8.210 nan 0.000 0.445 100 K N 0.598 120.853 120.400 -0.241 0.000 2.001 100 K HA -0.186 4.134 4.320 0.000 0.000 0.208 100 K C 1.881 178.439 176.600 -0.069 0.000 1.048 100 K CA 1.675 57.854 56.287 -0.179 0.000 0.932 100 K CB -0.112 32.329 32.500 -0.099 0.000 0.715 100 K HN 0.369 nan 8.250 nan 0.000 0.437 101 E N 0.432 120.602 120.200 -0.050 0.000 2.153 101 E HA -0.164 4.186 4.350 0.000 0.000 0.194 101 E C 2.012 178.599 176.600 -0.021 0.000 0.988 101 E CA 1.172 57.558 56.400 -0.023 0.000 0.811 101 E CB 0.142 29.830 29.700 -0.020 0.000 0.746 101 E HN 0.276 nan 8.360 nan 0.000 0.466 102 K N 0.435 120.811 120.400 -0.040 0.000 2.031 102 K HA -0.076 4.244 4.320 0.000 0.000 0.205 102 K C 2.263 178.864 176.600 0.001 0.000 1.049 102 K CA 0.582 56.851 56.287 -0.030 0.000 0.939 102 K CB -0.090 32.374 32.500 -0.061 0.000 0.717 102 K HN -0.024 nan 8.250 nan 0.000 0.438 103 R N 1.366 121.858 120.500 -0.013 0.000 2.080 103 R HA -0.183 4.158 4.340 0.000 0.000 0.236 103 R C 1.497 177.823 176.300 0.042 0.000 1.137 103 R CA 2.065 58.179 56.100 0.024 0.000 0.943 103 R CB -0.145 30.140 30.300 -0.025 0.000 0.846 103 R HN 0.114 nan 8.270 nan 0.000 0.431 104 D N -0.030 120.377 120.400 0.011 0.000 2.178 104 D HA -0.124 4.516 4.640 0.000 0.000 0.201 104 D C 1.615 177.928 176.300 0.021 0.000 0.980 104 D CA 1.333 55.337 54.000 0.007 0.000 0.842 104 D CB -0.147 40.660 40.800 0.010 0.000 0.948 104 D HN 0.408 nan 8.370 nan 0.000 0.472 105 A N 0.185 123.031 122.820 0.043 0.000 1.873 105 A HA -0.215 4.105 4.320 0.000 0.000 0.215 105 A C 2.163 179.811 177.584 0.108 0.000 1.186 105 A CA 1.022 53.093 52.037 0.056 0.000 0.616 105 A CB -1.052 17.975 19.000 0.046 0.000 0.823 105 A HN 0.251 nan 8.150 nan 0.000 0.442 106 Y N 1.214 121.494 120.300 -0.033 0.000 2.151 106 Y HA -0.227 4.323 4.550 0.000 0.000 0.284 106 Y C 2.399 178.282 175.900 -0.030 0.000 1.166 106 Y CA 1.625 59.707 58.100 -0.030 0.000 1.163 106 Y CB -0.760 37.675 38.460 -0.042 0.000 0.974 106 Y HN 0.074 nan 8.280 nan 0.000 0.511 107 V N -0.642 119.220 119.914 -0.087 0.000 2.343 107 V HA -0.313 3.807 4.120 0.000 0.000 0.247 107 V C 2.437 178.455 176.094 -0.126 0.000 1.051 107 V CA 2.040 64.220 62.300 -0.200 0.000 1.036 107 V CB -1.056 30.679 31.823 -0.147 0.000 0.654 107 V HN 0.379 nan 8.190 nan 0.000 0.451 108 S N -0.140 115.533 115.700 -0.045 0.000 2.348 108 S HA -0.225 4.245 4.470 0.000 0.000 0.221 108 S C 2.107 176.705 174.600 -0.002 0.000 1.033 108 S CA 1.621 59.811 58.200 -0.017 0.000 1.010 108 S CB -0.373 62.832 63.200 0.008 0.000 0.891 108 S HN 0.494 nan 8.310 nan 0.000 0.442 109 R N 0.898 121.413 120.500 0.026 0.000 2.117 109 R HA -0.012 4.328 4.340 0.000 0.000 0.243 109 R C 2.211 178.538 176.300 0.045 0.000 1.143 109 R CA 1.144 57.279 56.100 0.057 0.000 0.968 109 R CB -0.561 29.815 30.300 0.127 0.000 0.863 109 R HN 0.357 nan 8.270 nan 0.000 0.444 110 L N 0.122 121.319 121.223 -0.043 0.000 2.093 110 L HA -0.185 4.155 4.340 0.000 0.000 0.208 110 L C 1.724 178.669 176.870 0.125 0.000 1.085 110 L CA 1.479 56.321 54.840 0.002 0.000 0.755 110 L CB -0.454 41.456 42.059 -0.248 0.000 0.904 110 L HN 0.340 nan 8.230 nan 0.000 0.435 111 N N -0.063 118.636 118.700 -0.002 0.000 2.025 111 N HA -0.207 4.533 4.740 0.000 0.000 0.194 111 N C 1.972 177.550 175.510 0.114 0.000 1.044 111 N CA 1.210 54.271 53.050 0.019 0.000 0.851 111 N CB -0.240 38.231 38.487 -0.026 0.000 1.036 111 N HN 0.307 nan 8.380 nan 0.000 0.422 112 A N 1.662 124.531 122.820 0.081 0.000 1.869 112 A HA -0.203 4.117 4.320 0.000 0.000 0.218 112 A C 2.183 179.831 177.584 0.106 0.000 1.203 112 A CA 1.425 53.508 52.037 0.076 0.000 0.638 112 A CB -1.038 17.995 19.000 0.055 0.000 0.831 112 A HN 0.252 nan 8.150 nan 0.000 0.450 113 I N -2.040 118.605 120.570 0.126 0.000 2.194 113 I HA -0.336 3.834 4.170 0.000 0.000 0.246 113 I C 2.453 178.628 176.117 0.096 0.000 1.093 113 I CA 1.759 63.116 61.300 0.095 0.000 1.355 113 I CB -0.444 37.608 38.000 0.087 0.000 1.046 113 I HN 0.429 nan 8.210 nan 0.000 0.413 114 Y N 0.415 120.759 120.300 0.073 0.000 2.184 114 Y HA -0.266 4.284 4.550 0.000 0.000 0.290 114 Y C 2.751 178.711 175.900 0.101 0.000 1.129 114 Y CA 1.532 59.714 58.100 0.137 0.000 1.144 114 Y CB -0.796 37.713 38.460 0.083 0.000 0.995 114 Y HN 0.135 nan 8.280 nan 0.000 0.513 115 Q N 0.695 120.606 119.800 0.184 0.000 2.029 115 Q HA -0.275 4.065 4.340 0.000 0.000 0.209 115 Q C 2.240 178.285 176.000 0.076 0.000 0.999 115 Q CA 2.307 58.163 55.803 0.088 0.000 0.857 115 Q CB -0.495 28.279 28.738 0.061 0.000 0.926 115 Q HN 0.523 nan 8.270 nan 0.000 0.415 116 N N -0.504 118.241 118.700 0.074 0.000 2.011 116 N HA -0.260 4.480 4.740 0.000 0.000 0.199 116 N C 1.497 177.049 175.510 0.070 0.000 1.047 116 N CA 1.849 54.930 53.050 0.052 0.000 0.863 116 N CB -0.360 38.147 38.487 0.034 0.000 1.056 116 N HN 0.417 nan 8.380 nan 0.000 0.427 117 N N 0.662 119.424 118.700 0.104 0.000 2.069 117 N HA -0.201 4.539 4.740 0.000 0.000 0.196 117 N C 2.055 177.780 175.510 0.358 0.000 1.024 117 N CA 1.198 54.360 53.050 0.187 0.000 0.869 117 N CB -0.197 38.441 38.487 0.252 0.000 1.035 117 N HN 0.296 nan 8.380 nan 0.000 0.434 118 L N 0.711 122.098 121.223 0.274 0.000 1.955 118 L HA -0.211 4.130 4.340 0.000 0.000 0.213 118 L C 2.964 179.862 176.870 0.047 0.000 1.072 118 L CA 1.950 56.831 54.840 0.068 0.000 0.755 118 L CB -1.356 40.637 42.059 -0.110 0.000 0.888 118 L HN 0.425 nan 8.230 nan 0.000 0.432 119 T N -2.540 112.031 114.554 0.027 0.000 2.759 119 T HA -0.283 4.067 4.350 0.000 0.000 0.269 119 T C 1.819 176.503 174.700 -0.027 0.000 1.042 119 T CA 1.577 63.686 62.100 0.015 0.000 1.140 119 T CB -0.297 68.585 68.868 0.024 0.000 0.864 119 T HN 0.055 nan 8.240 nan 0.000 0.455 120 K N 1.265 121.648 120.400 -0.028 0.000 2.152 120 K HA 0.070 4.390 4.320 0.000 0.000 0.206 120 K C 2.041 178.462 176.600 -0.298 0.000 1.048 120 K CA 1.153 57.378 56.287 -0.104 0.000 0.933 120 K CB -0.341 32.127 32.500 -0.052 0.000 0.721 120 K HN 0.348 nan 8.250 nan 0.000 0.447 121 S N -0.302 115.290 115.700 -0.179 0.000 2.634 121 S HA 0.085 4.555 4.470 0.000 0.000 0.221 121 S C -0.799 173.648 174.600 -0.254 0.000 0.952 121 S CA -0.017 58.049 58.200 -0.223 0.000 0.930 121 S CB -0.412 62.887 63.200 0.165 0.000 0.780 121 S HN 0.489 nan 8.310 nan 0.000 0.498 122 H N -0.245 118.867 119.070 0.070 0.000 2.903 122 H HA -0.128 4.428 4.556 0.000 0.000 0.285 122 H C -0.404 174.949 175.328 0.041 0.000 1.231 122 H CA 0.424 56.502 56.048 0.051 0.000 1.135 122 H CB -2.096 27.693 29.762 0.045 0.000 1.328 122 H HN 0.396 nan 8.280 nan 0.000 0.388 123 I N 1.494 122.102 120.570 0.064 0.000 2.312 123 I HA 0.104 4.274 4.170 0.000 0.000 0.290 123 I C 0.841 176.950 176.117 -0.013 0.000 1.008 123 I CA -0.404 60.896 61.300 0.001 0.000 1.226 123 I CB 1.183 39.119 38.000 -0.106 0.000 1.371 123 I HN 0.236 nan 8.210 nan 0.000 0.468 124 E N 6.967 127.176 120.200 0.015 0.000 2.384 124 E HA 0.209 4.559 4.350 0.000 0.000 0.266 124 E C -0.857 175.686 176.600 -0.095 0.000 1.012 124 E CA 0.077 56.486 56.400 0.015 0.000 0.901 124 E CB 0.678 30.452 29.700 0.123 0.000 0.967 124 E HN 0.443 nan 8.360 nan 0.000 0.435 125 I N 6.199 126.720 120.570 -0.082 0.000 2.371 125 I HA 0.192 4.362 4.170 0.000 0.000 0.282 125 I C -0.545 175.492 176.117 -0.134 0.000 1.031 125 I CA -0.805 60.417 61.300 -0.129 0.000 1.180 125 I CB 0.801 38.743 38.000 -0.096 0.000 1.336 125 I HN 0.439 nan 8.210 nan 0.000 0.467 126 I N 5.779 126.216 120.570 -0.221 0.000 2.347 126 I HA 0.153 4.323 4.170 0.000 0.000 0.294 126 I C 0.726 176.728 176.117 -0.192 0.000 1.090 126 I CA -0.197 60.959 61.300 -0.240 0.000 1.314 126 I CB -0.051 37.639 38.000 -0.517 0.000 1.423 126 I HN 0.515 nan 8.210 nan 0.000 0.503 127 R N 4.636 125.068 120.500 -0.112 0.000 2.612 127 R HA 0.514 4.854 4.340 0.000 0.000 0.273 127 R C 0.346 176.593 176.300 -0.088 0.000 1.376 127 R CA 0.110 56.153 56.100 -0.095 0.000 1.171 127 R CB 0.059 30.324 30.300 -0.058 0.000 1.151 127 R HN 0.959 nan 8.270 nan 0.000 0.560 128 G N 0.430 109.160 108.800 -0.117 0.000 2.335 128 G HA2 -0.001 3.960 3.960 0.000 0.000 0.291 128 G HA3 -0.001 3.960 3.960 0.000 0.000 0.291 128 G C -1.855 172.993 174.900 -0.088 0.000 1.261 128 G CA -0.876 44.171 45.100 -0.089 0.000 0.871 128 G HN 0.510 nan 8.290 nan 0.000 0.491 129 H N 0.263 119.256 119.070 -0.129 0.000 2.581 129 H HA 0.750 5.306 4.556 0.000 0.000 0.308 129 H C 0.394 175.663 175.328 -0.099 0.000 1.040 129 H CA 0.322 56.300 56.048 -0.117 0.000 1.231 129 H CB 0.867 30.573 29.762 -0.094 0.000 1.396 129 H HN 0.750 nan 8.280 nan 0.000 0.467 130 A N 4.003 126.446 122.820 -0.628 0.000 2.322 130 A HA 0.735 5.055 4.320 0.000 0.000 0.269 130 A C -0.500 176.724 177.584 -0.599 0.000 1.094 130 A CA 0.094 51.819 52.037 -0.521 0.000 0.807 130 A CB 0.113 18.841 19.000 -0.455 0.000 1.047 130 A HN 0.993 nan 8.150 nan 0.000 0.487 131 A N 0.963 123.579 122.820 -0.339 0.000 2.540 131 A HA 0.611 4.931 4.320 0.000 0.000 0.297 131 A C -0.891 176.604 177.584 -0.148 0.000 1.056 131 A CA -0.644 51.306 52.037 -0.145 0.000 0.700 131 A CB 0.387 19.409 19.000 0.037 0.000 1.280 131 A HN 0.657 nan 8.150 nan 0.000 0.398 132 F N 1.765 121.706 119.950 -0.015 0.000 2.471 132 F HA 0.420 4.947 4.527 0.000 0.000 0.353 132 F C 1.720 177.528 175.800 0.013 0.000 1.113 132 F CA 1.115 59.114 58.000 -0.000 0.000 1.262 132 F CB 1.159 40.156 39.000 -0.005 0.000 1.146 132 F HN 0.663 nan 8.300 nan 0.000 0.578 133 T N -1.856 112.805 114.554 0.179 0.000 2.897 133 T HA 0.249 4.599 4.350 0.000 0.000 0.278 133 T C 0.996 175.762 174.700 0.110 0.000 0.981 133 T CA -0.609 61.559 62.100 0.113 0.000 0.973 133 T CB 1.212 70.123 68.868 0.072 0.000 1.092 133 T HN 0.463 nan 8.240 nan 0.000 0.543 134 S N -0.040 115.703 115.700 0.071 0.000 2.428 134 S HA -0.011 4.459 4.470 0.000 0.000 0.230 134 S C 0.416 175.044 174.600 0.047 0.000 1.014 134 S CA 0.201 58.432 58.200 0.052 0.000 0.957 134 S CB -0.604 62.618 63.200 0.037 0.000 0.784 134 S HN 0.745 nan 8.310 nan 0.000 0.499 135 D N 2.635 123.066 120.400 0.051 0.000 2.795 135 D HA -0.022 4.618 4.640 0.000 0.000 0.221 135 D C -1.545 174.781 176.300 0.043 0.000 1.108 135 D CA -0.634 53.392 54.000 0.045 0.000 0.832 135 D CB 0.085 40.915 40.800 0.051 0.000 1.183 135 D HN 0.095 nan 8.370 nan 0.000 0.503 136 P HA -0.146 nan 4.420 nan 0.000 0.211 136 P C 0.336 177.653 177.300 0.028 0.000 1.179 136 P CA 1.488 64.601 63.100 0.023 0.000 0.910 136 P CB 0.063 31.773 31.700 0.017 0.000 0.785 137 K N 0.607 121.027 120.400 0.032 0.000 2.382 137 K HA 0.143 4.463 4.320 0.000 0.000 0.275 137 K C -2.688 173.951 176.600 0.064 0.000 1.009 137 K CA -1.900 54.409 56.287 0.037 0.000 0.970 137 K CB -1.100 31.422 32.500 0.036 0.000 0.934 137 K HN -0.011 nan 8.250 nan 0.000 0.479 138 P HA 0.086 nan 4.420 nan 0.000 0.264 138 P C -1.030 176.363 177.300 0.155 0.000 1.193 138 P CA 0.339 63.527 63.100 0.146 0.000 0.763 138 P CB 0.544 32.331 31.700 0.145 0.000 0.810 139 T N 2.886 117.549 114.554 0.182 0.000 2.889 139 T HA 0.663 5.013 4.350 0.000 0.000 0.315 139 T C -0.382 174.335 174.700 0.029 0.000 1.291 139 T CA -0.525 61.635 62.100 0.100 0.000 1.028 139 T CB 0.879 69.795 68.868 0.081 0.000 1.235 139 T HN 0.355 nan 8.240 nan 0.000 0.491 140 I N -1.221 119.322 120.570 -0.044 0.000 2.689 140 I HA 0.860 5.030 4.170 0.000 0.000 0.299 140 I C -0.781 175.344 176.117 0.014 0.000 1.059 140 I CA -0.978 60.229 61.300 -0.155 0.000 1.055 140 I CB 2.460 40.229 38.000 -0.384 0.000 1.243 140 I HN 0.573 nan 8.210 nan 0.000 0.425 141 E N 4.040 124.237 120.200 -0.005 0.000 2.114 141 E HA 0.555 4.905 4.350 0.000 0.000 0.266 141 E C -1.676 174.966 176.600 0.070 0.000 0.896 141 E CA -0.726 55.715 56.400 0.068 0.000 0.750 141 E CB 1.839 31.563 29.700 0.041 0.000 1.121 141 E HN 0.602 nan 8.360 nan 0.000 0.413 142 V N 4.083 124.114 119.914 0.195 0.000 2.334 142 V HA 0.180 4.300 4.120 0.000 0.000 0.281 142 V C -0.100 176.087 176.094 0.154 0.000 1.016 142 V CA -0.701 61.670 62.300 0.120 0.000 0.832 142 V CB 1.250 33.082 31.823 0.015 0.000 0.999 142 V HN 0.904 nan 8.190 nan 0.000 0.439 143 S N 4.483 120.234 115.700 0.085 0.000 3.436 143 S HA -0.187 4.283 4.470 0.000 0.000 0.393 143 S C 1.505 176.140 174.600 0.058 0.000 0.914 143 S CA 1.110 59.350 58.200 0.066 0.000 1.317 143 S CB -1.235 61.999 63.200 0.056 0.000 0.920 143 S HN 2.108 nan 8.310 nan 0.000 0.564 144 G N 0.487 109.315 108.800 0.046 0.000 2.196 144 G HA2 -0.353 3.607 3.960 0.000 0.000 0.268 144 G HA3 -0.353 3.607 3.960 0.000 0.000 0.268 144 G C -0.049 174.853 174.900 0.002 0.000 0.975 144 G CA 1.070 46.184 45.100 0.023 0.000 0.648 144 G HN 0.688 nan 8.290 nan 0.000 0.538 145 K N 0.358 120.765 120.400 0.011 0.000 2.207 145 K HA 0.519 4.840 4.320 0.000 0.000 0.255 145 K C -0.128 176.378 176.600 -0.158 0.000 0.941 145 K CA -0.689 55.536 56.287 -0.105 0.000 0.825 145 K CB 1.861 34.272 32.500 -0.149 0.000 1.119 145 K HN 0.148 nan 8.250 nan 0.000 0.430 146 K N 2.224 122.457 120.400 -0.280 0.000 2.138 146 K HA 0.411 4.731 4.320 0.000 0.000 0.263 146 K C -1.051 175.320 176.600 -0.381 0.000 0.965 146 K CA -0.619 55.557 56.287 -0.184 0.000 0.868 146 K CB 0.955 33.408 32.500 -0.077 0.000 1.083 146 K HN 0.391 nan 8.250 nan 0.000 0.443 147 Y N -0.594 119.717 120.300 0.018 0.000 2.581 147 Y HA 0.509 5.059 4.550 0.000 0.000 0.345 147 Y C 0.330 176.260 175.900 0.050 0.000 1.036 147 Y CA -0.860 57.282 58.100 0.070 0.000 1.042 147 Y CB 2.520 41.012 38.460 0.053 0.000 1.289 147 Y HN 0.608 nan 8.280 nan 0.000 0.471 148 T N 0.067 114.782 114.554 0.268 0.000 2.731 148 T HA 0.914 5.264 4.350 0.000 0.000 0.300 148 T C -1.964 172.871 174.700 0.225 0.000 1.283 148 T CA -0.064 62.145 62.100 0.183 0.000 1.005 148 T CB 1.467 70.411 68.868 0.127 0.000 1.420 148 T HN 1.399 nan 8.240 nan 0.000 0.503 149 A N 1.582 124.516 122.820 0.190 0.000 2.581 149 A HA 0.666 4.986 4.320 0.000 0.000 0.294 149 A C -2.650 175.040 177.584 0.177 0.000 1.035 149 A CA -0.766 51.410 52.037 0.231 0.000 0.684 149 A CB 0.698 19.879 19.000 0.302 0.000 1.282 149 A HN 0.571 nan 8.150 nan 0.000 0.417 150 P HA 0.003 nan 4.420 nan 0.000 0.239 150 P C -0.297 176.809 177.300 -0.323 0.000 1.184 150 P CA 1.172 64.237 63.100 -0.059 0.000 0.760 150 P CB -0.163 31.511 31.700 -0.043 0.000 0.884 151 H N -0.307 118.968 119.070 0.342 0.000 3.224 151 H HA 0.375 4.931 4.556 0.000 0.000 0.331 151 H C -0.343 175.279 175.328 0.489 0.000 1.002 151 H CA -0.566 55.792 56.048 0.517 0.000 1.473 151 H CB 1.168 31.280 29.762 0.583 0.000 1.830 151 H HN -0.009 nan 8.280 nan 0.000 0.485 152 I N 3.885 124.747 120.570 0.486 0.000 2.433 152 I HA 0.194 4.365 4.170 0.000 0.000 0.292 152 I C -0.467 175.842 176.117 0.320 0.000 1.001 152 I CA -0.977 60.475 61.300 0.253 0.000 1.119 152 I CB 2.388 40.504 38.000 0.193 0.000 1.289 152 I HN 0.219 nan 8.210 nan 0.000 0.438 153 L N 8.060 129.328 121.223 0.075 0.000 2.319 153 L HA 0.582 4.922 4.340 0.000 0.000 0.281 153 L C -0.796 176.113 176.870 0.065 0.000 1.005 153 L CA -0.045 54.884 54.840 0.148 0.000 0.828 153 L CB 1.010 43.072 42.059 0.005 0.000 1.227 153 L HN 0.408 nan 8.230 nan 0.000 0.415 154 I N 5.819 126.476 120.570 0.145 0.000 2.337 154 I HA 0.488 4.658 4.170 0.000 0.000 0.291 154 I C 0.522 176.688 176.117 0.082 0.000 1.046 154 I CA -0.016 61.350 61.300 0.110 0.000 1.324 154 I CB 1.251 39.351 38.000 0.167 0.000 1.409 154 I HN 0.862 nan 8.210 nan 0.000 0.494 155 A N 3.676 126.517 122.820 0.035 0.000 3.234 155 A HA 0.244 4.565 4.320 0.000 0.000 0.247 155 A C 0.831 178.428 177.584 0.021 0.000 0.938 155 A CA -0.366 51.693 52.037 0.037 0.000 1.039 155 A CB -0.301 18.710 19.000 0.019 0.000 1.197 155 A HN 0.745 nan 8.150 nan 0.000 0.498 156 T N -2.828 111.745 114.554 0.032 0.000 3.148 156 T HA 0.421 4.771 4.350 0.000 0.000 0.253 156 T C 1.403 176.130 174.700 0.044 0.000 1.134 156 T CA 1.072 63.190 62.100 0.030 0.000 1.051 156 T CB -0.348 68.540 68.868 0.035 0.000 0.959 156 T HN 1.991 nan 8.240 nan 0.000 0.525 157 G N 0.683 109.514 108.800 0.052 0.000 2.582 157 G HA2 0.175 4.135 3.960 0.000 0.000 0.288 157 G HA3 0.175 4.135 3.960 0.000 0.000 0.288 157 G C 0.174 175.108 174.900 0.056 0.000 1.247 157 G CA -0.149 44.987 45.100 0.060 0.000 0.972 157 G HN 1.345 nan 8.290 nan 0.000 0.557 158 G N -2.114 106.718 108.800 0.053 0.000 2.870 158 G HA2 0.956 4.917 3.960 0.000 0.000 0.299 158 G HA3 0.956 4.917 3.960 0.000 0.000 0.299 158 G C -0.472 174.448 174.900 0.032 0.000 1.324 158 G CA 0.263 45.386 45.100 0.038 0.000 0.808 158 G HN 1.955 nan 8.290 nan 0.000 0.535 159 M N -2.378 117.234 119.600 0.020 0.000 2.773 159 M HA 0.601 5.081 4.480 0.000 0.000 0.270 159 M C -3.225 173.079 176.300 0.008 0.000 1.238 159 M CA -1.742 53.567 55.300 0.015 0.000 0.832 159 M CB 1.954 34.556 32.600 0.003 0.000 1.672 159 M HN 0.179 nan 8.290 nan 0.000 0.480 160 P HA 0.100 nan 4.420 nan 0.000 0.267 160 P C -0.833 176.450 177.300 -0.028 0.000 1.205 160 P CA 0.144 63.244 63.100 0.001 0.000 0.765 160 P CB 0.866 32.575 31.700 0.015 0.000 0.828 161 S N 2.690 118.369 115.700 -0.035 0.000 2.545 161 S HA 0.440 4.910 4.470 0.000 0.000 0.275 161 S C -0.325 174.194 174.600 -0.135 0.000 1.299 161 S CA 0.060 58.216 58.200 -0.073 0.000 1.048 161 S CB -0.298 62.872 63.200 -0.049 0.000 0.938 161 S HN 0.350 nan 8.310 nan 0.000 0.496 162 T N 5.990 120.411 114.554 -0.221 0.000 2.916 162 T HA 0.542 4.892 4.350 0.000 0.000 0.298 162 T C -2.708 171.700 174.700 -0.485 0.000 1.031 162 T CA -0.786 61.083 62.100 -0.385 0.000 0.993 162 T CB 1.699 70.392 68.868 -0.293 0.000 1.045 162 T HN 0.450 nan 8.240 nan 0.000 0.454 163 P HA 0.231 nan 4.420 nan 0.000 0.272 163 P C -0.336 176.737 177.300 -0.379 0.000 1.230 163 P CA -0.429 62.363 63.100 -0.513 0.000 0.788 163 P CB 0.404 31.646 31.700 -0.762 0.000 0.949 164 H N 1.007 119.959 119.070 -0.197 0.000 2.511 164 H HA 0.078 4.635 4.556 0.000 0.000 0.346 164 H C 0.807 176.086 175.328 -0.082 0.000 1.128 164 H CA -0.174 55.804 56.048 -0.117 0.000 1.342 164 H CB 1.384 31.096 29.762 -0.084 0.000 1.470 164 H HN 0.483 nan 8.280 nan 0.000 0.546 165 E N 1.122 121.361 120.200 0.065 0.000 2.153 165 E HA -0.163 4.187 4.350 0.000 0.000 0.194 165 E C 2.150 178.783 176.600 0.054 0.000 0.988 165 E CA 1.139 57.567 56.400 0.046 0.000 0.811 165 E CB 0.059 29.781 29.700 0.037 0.000 0.746 165 E HN 0.572 nan 8.360 nan 0.000 0.466 166 S N 0.027 115.774 115.700 0.077 0.000 2.365 166 S HA -0.316 4.154 4.470 0.000 0.000 0.221 166 S C 1.854 176.464 174.600 0.015 0.000 1.037 166 S CA 1.844 60.061 58.200 0.029 0.000 1.060 166 S CB -0.212 62.977 63.200 -0.019 0.000 0.974 166 S HN 0.303 nan 8.310 nan 0.000 0.427 167 Q N 0.332 120.148 119.800 0.027 0.000 1.916 167 Q HA 0.196 4.537 4.340 0.000 0.000 0.203 167 Q C 0.460 176.472 176.000 0.020 0.000 0.983 167 Q CA 1.058 56.866 55.803 0.009 0.000 0.846 167 Q CB -0.112 28.630 28.738 0.006 0.000 0.909 167 Q HN 0.545 nan 8.270 nan 0.000 0.427 168 I N 2.544 123.126 120.570 0.020 0.000 2.310 168 I HA 0.230 4.400 4.170 0.000 0.000 0.287 168 I C -2.360 173.795 176.117 0.063 0.000 1.073 168 I CA -2.328 59.001 61.300 0.048 0.000 1.216 168 I CB 1.142 39.176 38.000 0.057 0.000 1.415 168 I HN -0.122 nan 8.210 nan 0.000 0.480 169 P HA 0.058 nan 4.420 nan 0.000 0.261 169 P C 0.831 178.178 177.300 0.078 0.000 1.203 169 P CA 0.679 63.813 63.100 0.057 0.000 0.767 169 P CB 0.536 32.262 31.700 0.044 0.000 0.785 170 G N 3.286 112.134 108.800 0.080 0.000 2.144 170 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 170 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 170 G C 1.090 176.093 174.900 0.171 0.000 0.988 170 G CA 0.177 45.337 45.100 0.099 0.000 0.659 170 G HN 0.586 nan 8.290 nan 0.000 0.522 171 A N 0.988 123.913 122.820 0.175 0.000 1.877 171 A HA 0.150 4.471 4.320 0.000 0.000 0.216 171 A C 2.701 180.461 177.584 0.293 0.000 1.186 171 A CA 2.752 54.949 52.037 0.267 0.000 0.620 171 A CB -0.839 18.120 19.000 -0.067 0.000 0.822 171 A HN 1.816 nan 8.150 nan 0.000 0.443 172 S N -0.282 115.492 115.700 0.123 0.000 2.537 172 S HA 0.003 4.473 4.470 0.000 0.000 0.240 172 S C 1.569 176.245 174.600 0.126 0.000 0.981 172 S CA 1.139 59.399 58.200 0.101 0.000 0.948 172 S CB -0.657 62.563 63.200 0.033 0.000 0.759 172 S HN 0.448 nan 8.310 nan 0.000 0.531 173 L N 0.933 122.242 121.223 0.143 0.000 2.291 173 L HA 0.204 4.545 4.340 0.000 0.000 0.214 173 L C 1.771 178.687 176.870 0.077 0.000 1.120 173 L CA 0.467 55.360 54.840 0.089 0.000 0.799 173 L CB -0.785 41.312 42.059 0.065 0.000 0.925 173 L HN 0.488 nan 8.230 nan 0.000 0.446 174 G N -0.183 108.709 108.800 0.153 0.000 2.522 174 G HA2 0.549 4.509 3.960 0.000 0.000 0.304 174 G HA3 0.549 4.509 3.960 0.000 0.000 0.304 174 G C -0.409 174.567 174.900 0.128 0.000 1.210 174 G CA -0.519 44.599 45.100 0.030 0.000 0.960 174 G HN 0.114 nan 8.290 nan 0.000 0.497 175 I N -2.403 118.198 120.570 0.051 0.000 3.217 175 I HA 0.884 5.054 4.170 0.000 0.000 0.308 175 I C 0.395 176.591 176.117 0.132 0.000 1.091 175 I CA -0.846 60.510 61.300 0.092 0.000 1.013 175 I CB 2.251 40.278 38.000 0.044 0.000 1.250 175 I HN 0.675 nan 8.210 nan 0.000 0.496 176 T N -1.786 112.833 114.554 0.108 0.000 2.678 176 T HA 0.300 4.650 4.350 0.000 0.000 0.260 176 T C 1.077 175.791 174.700 0.024 0.000 0.932 176 T CA 0.125 62.278 62.100 0.089 0.000 1.043 176 T CB 0.789 69.711 68.868 0.089 0.000 1.413 176 T HN 0.820 nan 8.240 nan 0.000 0.568 177 S N 0.225 115.904 115.700 -0.034 0.000 2.399 177 S HA -0.121 4.349 4.470 0.000 0.000 0.231 177 S C 1.182 175.723 174.600 -0.099 0.000 1.022 177 S CA 1.425 59.527 58.200 -0.163 0.000 0.983 177 S CB -0.955 62.163 63.200 -0.137 0.000 0.803 177 S HN 0.690 nan 8.310 nan 0.000 0.480 178 D N 2.500 122.939 120.400 0.065 0.000 2.075 178 D HA 0.060 4.700 4.640 0.000 0.000 0.196 178 D C 2.360 178.742 176.300 0.136 0.000 0.985 178 D CA 1.516 55.613 54.000 0.162 0.000 0.834 178 D CB -1.344 39.525 40.800 0.115 0.000 0.987 178 D HN 0.494 nan 8.370 nan 0.000 0.452 179 G N 0.185 109.041 108.800 0.094 0.000 2.550 179 G HA2 -0.337 3.624 3.960 0.000 0.000 0.222 179 G HA3 -0.337 3.624 3.960 0.000 0.000 0.222 179 G C 1.507 176.460 174.900 0.089 0.000 1.113 179 G CA 0.887 46.036 45.100 0.081 0.000 0.748 179 G HN 0.267 nan 8.290 nan 0.000 0.585 180 F N 0.877 120.760 119.950 -0.112 0.000 2.075 180 F HA 0.018 4.545 4.527 0.000 0.000 0.297 180 F C 1.929 177.695 175.800 -0.056 0.000 1.113 180 F CA 1.120 59.023 58.000 -0.162 0.000 1.218 180 F CB -0.245 38.528 39.000 -0.379 0.000 0.984 180 F HN 0.088 nan 8.300 nan 0.000 0.472 181 F N 0.743 120.864 119.950 0.285 0.000 2.773 181 F HA -0.007 4.520 4.527 0.000 0.000 0.299 181 F C 1.741 177.584 175.800 0.072 0.000 1.204 181 F CA 0.664 58.753 58.000 0.149 0.000 1.454 181 F CB -1.053 38.060 39.000 0.189 0.000 1.117 181 F HN 0.220 nan 8.300 nan 0.000 0.590 182 Q N -0.782 119.123 119.800 0.174 0.000 2.189 182 Q HA 0.251 4.591 4.340 0.000 0.000 0.223 182 Q C 0.188 176.240 176.000 0.086 0.000 0.828 182 Q CA -0.108 55.770 55.803 0.124 0.000 0.967 182 Q CB 0.670 29.465 28.738 0.095 0.000 1.139 182 Q HN 0.271 nan 8.270 nan 0.000 0.497 183 L N 1.878 123.136 121.223 0.057 0.000 2.455 183 L HA 0.059 4.399 4.340 0.000 0.000 0.272 183 L C 0.760 177.719 176.870 0.148 0.000 1.174 183 L CA 0.560 55.396 54.840 -0.007 0.000 0.869 183 L CB 0.524 42.468 42.059 -0.191 0.000 1.130 183 L HN 0.214 nan 8.230 nan 0.000 0.474 184 E N 1.838 122.053 120.200 0.024 0.000 2.501 184 E HA 0.123 4.474 4.350 0.000 0.000 0.200 184 E C -0.447 176.128 176.600 -0.042 0.000 1.016 184 E CA -0.011 56.460 56.400 0.117 0.000 0.921 184 E CB 0.700 30.438 29.700 0.064 0.000 1.034 184 E HN 0.397 nan 8.360 nan 0.000 0.468 185 E N 1.020 120.929 120.200 -0.486 0.000 2.354 185 E HA 0.174 4.524 4.350 0.000 0.000 0.283 185 E C -1.837 174.121 176.600 -1.071 0.000 0.938 185 E CA -0.752 55.277 56.400 -0.618 0.000 0.777 185 E CB 1.405 30.936 29.700 -0.283 0.000 1.222 185 E HN 0.046 nan 8.360 nan 0.000 0.423 186 L N 6.001 126.615 121.223 -1.016 0.000 2.530 186 L HA 0.406 4.746 4.340 0.000 0.000 0.273 186 L C -2.065 174.544 176.870 -0.436 0.000 1.141 186 L CA -0.826 53.489 54.840 -0.876 0.000 0.905 186 L CB 0.171 42.137 42.059 -0.154 0.000 1.202 186 L HN 0.351 nan 8.230 nan 0.000 0.473 187 P HA 0.078 nan 4.420 nan 0.000 0.268 187 P C 0.574 177.794 177.300 -0.134 0.000 1.204 187 P CA 0.068 63.033 63.100 -0.224 0.000 0.768 187 P CB 1.138 32.722 31.700 -0.193 0.000 0.842 188 G N 3.595 112.337 108.800 -0.097 0.000 2.404 188 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 188 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 188 G C 0.754 175.626 174.900 -0.047 0.000 1.174 188 G CA 0.458 45.524 45.100 -0.057 0.000 0.780 188 G HN 0.399 nan 8.290 nan 0.000 0.537 189 R N 0.508 120.974 120.500 -0.057 0.000 2.360 189 R HA 0.610 4.951 4.340 0.000 0.000 0.318 189 R C -1.176 175.086 176.300 -0.062 0.000 0.950 189 R CA -0.324 55.746 56.100 -0.051 0.000 0.837 189 R CB 1.171 31.441 30.300 -0.050 0.000 1.165 189 R HN 0.097 nan 8.270 nan 0.000 0.458 190 S N 1.442 117.110 115.700 -0.054 0.000 2.532 190 S HA 0.680 5.150 4.470 0.000 0.000 0.301 190 S C -0.930 173.628 174.600 -0.070 0.000 1.083 190 S CA -0.587 57.577 58.200 -0.060 0.000 1.025 190 S CB 2.216 65.398 63.200 -0.030 0.000 1.056 190 S HN 0.251 nan 8.310 nan 0.000 0.494 191 V N 3.798 123.651 119.914 -0.102 0.000 2.623 191 V HA 0.513 4.633 4.120 0.000 0.000 0.304 191 V C -0.893 175.108 176.094 -0.154 0.000 1.054 191 V CA -0.509 61.719 62.300 -0.119 0.000 0.882 191 V CB 1.552 33.291 31.823 -0.141 0.000 1.002 191 V HN 0.767 nan 8.190 nan 0.000 0.424 192 I N 4.526 125.022 120.570 -0.123 0.000 2.474 192 I HA 0.582 4.752 4.170 0.000 0.000 0.294 192 I C -0.758 175.293 176.117 -0.110 0.000 1.005 192 I CA -1.052 60.172 61.300 -0.126 0.000 1.113 192 I CB 2.264 40.211 38.000 -0.089 0.000 1.289 192 I HN 0.246 nan 8.210 nan 0.000 0.436 193 V N 4.539 124.392 119.914 -0.102 0.000 2.326 193 V HA 0.878 4.998 4.120 0.000 0.000 0.281 193 V C 0.263 176.388 176.094 0.050 0.000 1.015 193 V CA -0.281 62.009 62.300 -0.017 0.000 0.823 193 V CB 0.793 32.627 31.823 0.019 0.000 1.009 193 V HN 1.075 nan 8.190 nan 0.000 0.436 194 G N 3.361 112.175 108.800 0.023 0.000 2.358 194 G HA2 0.553 4.513 3.960 0.000 0.000 0.303 194 G HA3 0.553 4.513 3.960 0.000 0.000 0.303 194 G C -0.514 174.385 174.900 -0.002 0.000 1.537 194 G CA 0.079 45.193 45.100 0.024 0.000 0.928 194 G HN 1.058 nan 8.290 nan 0.000 0.656 195 A N -0.316 122.507 122.820 0.005 0.000 2.616 195 A HA 0.789 5.109 4.320 0.000 0.000 0.294 195 A C 0.923 178.508 177.584 0.003 0.000 1.091 195 A CA 1.065 53.100 52.037 -0.003 0.000 0.971 195 A CB -0.027 18.977 19.000 0.006 0.000 1.222 195 A HN 1.939 nan 8.150 nan 0.000 0.521 196 G N -1.672 107.125 108.800 -0.005 0.000 2.753 196 G HA2 0.405 4.365 3.960 0.000 0.000 0.285 196 G HA3 0.405 4.365 3.960 0.000 0.000 0.285 196 G C 0.620 175.516 174.900 -0.006 0.000 1.344 196 G CA -0.008 45.108 45.100 0.027 0.000 1.050 196 G HN 0.570 nan 8.290 nan 0.000 0.532 197 Y N -0.827 119.492 120.300 0.033 0.000 2.207 197 Y HA -0.084 4.466 4.550 0.000 0.000 0.287 197 Y C 2.219 178.129 175.900 0.017 0.000 1.156 197 Y CA 1.604 59.707 58.100 0.005 0.000 1.182 197 Y CB -0.471 38.021 38.460 0.053 0.000 0.979 197 Y HN 0.207 nan 8.280 nan 0.000 0.521 198 I N 1.035 121.190 120.570 -0.691 0.000 2.202 198 I HA -0.228 3.942 4.170 0.000 0.000 0.242 198 I C 2.852 178.840 176.117 -0.216 0.000 1.091 198 I CA 1.315 62.339 61.300 -0.460 0.000 1.368 198 I CB -0.712 36.995 38.000 -0.488 0.000 1.058 198 I HN 0.411 nan 8.210 nan 0.000 0.410 199 A N 0.266 122.983 122.820 -0.170 0.000 1.902 199 A HA -0.162 4.158 4.320 0.000 0.000 0.217 199 A C 2.424 179.969 177.584 -0.066 0.000 1.181 199 A CA 1.850 53.824 52.037 -0.105 0.000 0.623 199 A CB -1.009 17.950 19.000 -0.068 0.000 0.818 199 A HN 0.240 nan 8.150 nan 0.000 0.443 200 V N 0.121 120.011 119.914 -0.040 0.000 2.343 200 V HA -0.273 3.847 4.120 0.000 0.000 0.247 200 V C 2.411 178.537 176.094 0.053 0.000 1.051 200 V CA 2.350 64.651 62.300 0.002 0.000 1.036 200 V CB -0.856 30.965 31.823 -0.004 0.000 0.654 200 V HN 0.659 nan 8.190 nan 0.000 0.451 201 E N -0.520 119.722 120.200 0.069 0.000 2.072 201 E HA -0.168 4.183 4.350 0.000 0.000 0.190 201 E C 2.298 178.939 176.600 0.068 0.000 0.982 201 E CA 1.193 57.678 56.400 0.142 0.000 0.803 201 E CB -0.205 29.605 29.700 0.183 0.000 0.755 201 E HN 0.396 nan 8.360 nan 0.000 0.453 202 M N 0.527 120.076 119.600 -0.086 0.000 2.159 202 M HA -0.101 4.379 4.480 0.000 0.000 0.263 202 M C 2.429 178.701 176.300 -0.047 0.000 1.063 202 M CA 1.205 56.377 55.300 -0.213 0.000 1.110 202 M CB -0.987 31.399 32.600 -0.356 0.000 1.374 202 M HN 0.121 nan 8.290 nan 0.000 0.411 203 A N 0.378 123.188 122.820 -0.016 0.000 1.898 203 A HA 0.042 4.362 4.320 0.000 0.000 0.216 203 A C 2.478 180.089 177.584 0.045 0.000 1.181 203 A CA 1.868 53.911 52.037 0.009 0.000 0.620 203 A CB -1.379 17.620 19.000 -0.002 0.000 0.819 203 A HN 0.499 nan 8.150 nan 0.000 0.442 204 G N -0.097 108.759 108.800 0.094 0.000 2.408 204 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 204 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 204 G C 1.524 176.466 174.900 0.070 0.000 1.150 204 G CA 1.079 46.250 45.100 0.118 0.000 0.776 204 G HN 0.466 nan 8.290 nan 0.000 0.542 205 I N 0.150 120.825 120.570 0.175 0.000 2.202 205 I HA -0.083 4.087 4.170 0.000 0.000 0.242 205 I C 2.726 178.936 176.117 0.155 0.000 1.091 205 I CA 0.587 61.999 61.300 0.188 0.000 1.368 205 I CB -0.233 37.959 38.000 0.320 0.000 1.058 205 I HN 0.116 nan 8.210 nan 0.000 0.410 206 L N 0.456 121.803 121.223 0.207 0.000 2.012 206 L HA -0.234 4.106 4.340 0.000 0.000 0.210 206 L C 2.834 179.753 176.870 0.083 0.000 1.073 206 L CA 2.001 56.960 54.840 0.199 0.000 0.748 206 L CB -0.598 41.569 42.059 0.181 0.000 0.891 206 L HN 0.377 nan 8.230 nan 0.000 0.431 207 S N -0.418 115.300 115.700 0.029 0.000 2.428 207 S HA -0.051 4.419 4.470 0.000 0.000 0.230 207 S C 2.068 176.639 174.600 -0.047 0.000 1.014 207 S CA 0.629 58.824 58.200 -0.008 0.000 0.957 207 S CB -0.158 63.031 63.200 -0.018 0.000 0.784 207 S HN 0.323 nan 8.310 nan 0.000 0.499 208 A N 1.923 124.678 122.820 -0.109 0.000 1.929 208 A HA 0.296 4.616 4.320 0.000 0.000 0.216 208 A C 2.143 179.631 177.584 -0.159 0.000 1.176 208 A CA 1.040 52.964 52.037 -0.188 0.000 0.628 208 A CB -0.730 18.044 19.000 -0.376 0.000 0.816 208 A HN 0.569 nan 8.150 nan 0.000 0.444 209 L N -1.372 119.767 121.223 -0.141 0.000 2.610 209 L HA 0.175 4.515 4.340 0.000 0.000 0.232 209 L C 1.737 178.596 176.870 -0.018 0.000 1.149 209 L CA 0.591 55.310 54.840 -0.202 0.000 0.872 209 L CB -0.190 41.757 42.059 -0.187 0.000 0.992 209 L HN 0.622 nan 8.230 nan 0.000 0.447 210 G N -1.317 107.493 108.800 0.018 0.000 2.481 210 G HA2 -0.249 3.712 3.960 0.000 0.000 0.200 210 G HA3 -0.249 3.712 3.960 0.000 0.000 0.200 210 G C 0.441 175.366 174.900 0.042 0.000 1.012 210 G CA 0.065 45.198 45.100 0.055 0.000 0.676 210 G HN 0.221 nan 8.290 nan 0.000 0.488 211 S N 1.276 117.000 115.700 0.041 0.000 2.560 211 S HA 0.407 4.877 4.470 0.000 0.000 0.284 211 S C 0.535 175.137 174.600 0.003 0.000 1.327 211 S CA 0.050 58.258 58.200 0.012 0.000 1.055 211 S CB 0.737 63.942 63.200 0.009 0.000 0.868 211 S HN 0.332 nan 8.310 nan 0.000 0.506 212 K N 4.448 124.842 120.400 -0.009 0.000 2.171 212 K HA 0.139 4.459 4.320 0.000 0.000 0.274 212 K C -0.450 176.138 176.600 -0.019 0.000 1.110 212 K CA 0.061 56.340 56.287 -0.013 0.000 0.952 212 K CB -0.694 31.797 32.500 -0.016 0.000 1.309 212 K HN 0.660 nan 8.250 nan 0.000 0.414 213 T N 1.368 115.913 114.554 -0.016 0.000 2.882 213 T HA 0.281 4.631 4.350 0.000 0.000 0.287 213 T C -0.136 174.549 174.700 -0.026 0.000 0.992 213 T CA -0.347 61.741 62.100 -0.020 0.000 1.076 213 T CB 1.124 69.987 68.868 -0.009 0.000 0.961 213 T HN 0.260 nan 8.240 nan 0.000 0.490 214 S N 1.821 117.499 115.700 -0.036 0.000 2.561 214 S HA 0.517 4.987 4.470 0.000 0.000 0.303 214 S C -1.141 173.433 174.600 -0.044 0.000 1.110 214 S CA -0.705 57.473 58.200 -0.037 0.000 1.034 214 S CB 1.073 64.248 63.200 -0.042 0.000 1.010 214 S HN 0.565 nan 8.310 nan 0.000 0.482 215 L N 4.562 125.763 121.223 -0.036 0.000 2.276 215 L HA 0.578 4.918 4.340 0.000 0.000 0.286 215 L C -0.453 176.394 176.870 -0.038 0.000 1.024 215 L CA -0.217 54.600 54.840 -0.039 0.000 0.826 215 L CB 0.847 42.888 42.059 -0.030 0.000 1.211 215 L HN 0.789 nan 8.230 nan 0.000 0.422 216 M N 7.406 126.980 119.600 -0.043 0.000 2.151 216 M HA 0.429 4.909 4.480 0.000 0.000 0.349 216 M C -0.813 175.471 176.300 -0.027 0.000 1.284 216 M CA -0.302 54.978 55.300 -0.034 0.000 1.173 216 M CB 0.042 32.619 32.600 -0.038 0.000 1.469 216 M HN 0.657 nan 8.290 nan 0.000 0.439 217 I N 1.458 122.001 120.570 -0.045 0.000 2.525 217 I HA 0.499 4.669 4.170 0.000 0.000 0.301 217 I C 0.479 176.527 176.117 -0.116 0.000 0.992 217 I CA -1.006 60.259 61.300 -0.059 0.000 1.162 217 I CB 1.768 39.727 38.000 -0.068 0.000 1.332 217 I HN 0.665 nan 8.210 nan 0.000 0.458 218 R N 1.651 122.089 120.500 -0.103 0.000 2.189 218 R HA 0.160 4.500 4.340 0.000 0.000 0.218 218 R C 0.584 176.515 176.300 -0.615 0.000 1.074 218 R CA 0.856 56.829 56.100 -0.212 0.000 0.991 218 R CB -0.478 29.778 30.300 -0.072 0.000 0.883 218 R HN 0.684 nan 8.270 nan 0.000 0.457 219 H N -0.291 118.475 119.070 -0.507 0.000 3.889 219 H HA 0.106 4.663 4.556 0.000 0.000 0.351 219 H C 0.323 175.010 175.328 -1.069 0.000 1.657 219 H CA -0.287 55.184 56.048 -0.962 0.000 1.319 219 H CB 0.625 30.142 29.762 -0.408 0.000 1.314 219 H HN 0.052 nan 8.280 nan 0.000 0.771 220 D N 0.255 120.345 120.400 -0.516 0.000 2.333 220 D HA 0.073 4.713 4.640 0.000 0.000 0.208 220 D C 0.097 176.358 176.300 -0.065 0.000 0.984 220 D CA 0.641 54.542 54.000 -0.165 0.000 0.873 220 D CB 0.921 41.809 40.800 0.146 0.000 0.935 220 D HN 0.180 nan 8.370 nan 0.000 0.521 221 K N -0.503 119.860 120.400 -0.062 0.000 2.469 221 K HA 0.567 4.887 4.320 0.000 0.000 0.268 221 K C -0.898 175.676 176.600 -0.043 0.000 1.027 221 K CA -1.120 55.143 56.287 -0.039 0.000 0.893 221 K CB 3.051 35.538 32.500 -0.022 0.000 1.460 221 K HN -0.067 nan 8.250 nan 0.000 0.449 222 V N -1.605 118.285 119.914 -0.040 0.000 2.994 222 V HA 0.520 4.640 4.120 0.000 0.000 0.318 222 V C 0.141 176.204 176.094 -0.051 0.000 1.085 222 V CA -1.082 61.193 62.300 -0.042 0.000 0.998 222 V CB 0.915 32.706 31.823 -0.052 0.000 1.063 222 V HN 0.785 nan 8.190 nan 0.000 0.447 223 L N 0.138 121.337 121.223 -0.041 0.000 3.739 223 L HA -0.196 4.144 4.340 0.000 0.000 0.442 223 L C 1.892 178.836 176.870 0.124 0.000 1.241 223 L CA 0.530 55.358 54.840 -0.021 0.000 0.819 223 L CB -1.127 40.654 42.059 -0.464 0.000 1.679 223 L HN 0.842 nan 8.230 nan 0.000 0.889 224 R N 0.317 120.865 120.500 0.080 0.000 2.152 224 R HA -0.118 4.223 4.340 0.000 0.000 0.232 224 R C 2.066 178.407 176.300 0.068 0.000 1.117 224 R CA 1.625 57.745 56.100 0.033 0.000 0.981 224 R CB -0.112 30.151 30.300 -0.062 0.000 0.870 224 R HN 0.755 nan 8.270 nan 0.000 0.451 225 S N -0.520 115.265 115.700 0.142 0.000 2.631 225 S HA 0.094 4.565 4.470 0.000 0.000 0.217 225 S C 0.329 174.945 174.600 0.026 0.000 0.958 225 S CA -0.326 57.909 58.200 0.058 0.000 0.920 225 S CB -0.080 63.126 63.200 0.010 0.000 0.776 225 S HN -0.040 nan 8.310 nan 0.000 0.517 226 F N 2.462 122.382 119.950 -0.049 0.000 2.408 226 F HA 0.380 4.907 4.527 0.000 0.000 0.325 226 F C 0.847 176.569 175.800 -0.130 0.000 1.082 226 F CA -1.674 56.284 58.000 -0.070 0.000 1.032 226 F CB 0.392 39.367 39.000 -0.042 0.000 1.259 226 F HN 0.059 nan 8.300 nan 0.000 0.503 227 D N 0.941 121.299 120.400 -0.070 0.000 2.586 227 D HA -0.102 4.539 4.640 0.000 0.000 0.234 227 D C 1.272 177.530 176.300 -0.069 0.000 1.132 227 D CA 0.675 54.543 54.000 -0.220 0.000 0.860 227 D CB 0.998 41.425 40.800 -0.622 0.000 1.159 227 D HN 0.718 nan 8.370 nan 0.000 0.490 228 S N 4.540 120.209 115.700 -0.051 0.000 2.426 228 S HA -0.384 4.086 4.470 0.000 0.000 0.253 228 S C 2.101 176.696 174.600 -0.008 0.000 1.104 228 S CA 2.060 60.248 58.200 -0.019 0.000 1.158 228 S CB -0.601 62.589 63.200 -0.016 0.000 1.043 228 S HN 0.795 nan 8.310 nan 0.000 0.443 229 M N 0.735 120.329 119.600 -0.010 0.000 2.106 229 M HA -0.116 4.365 4.480 0.000 0.000 0.259 229 M C 1.792 178.098 176.300 0.010 0.000 1.068 229 M CA 1.912 57.216 55.300 0.008 0.000 1.100 229 M CB -0.348 32.267 32.600 0.025 0.000 1.351 229 M HN 0.343 nan 8.290 nan 0.000 0.404 230 I N -0.524 120.053 120.570 0.012 0.000 2.193 230 I HA -0.197 3.973 4.170 0.000 0.000 0.240 230 I C 2.619 178.720 176.117 -0.027 0.000 1.084 230 I CA 1.298 62.602 61.300 0.007 0.000 1.365 230 I CB -1.849 36.182 38.000 0.052 0.000 1.064 230 I HN 0.362 nan 8.210 nan 0.000 0.410 231 S N 0.326 116.022 115.700 -0.008 0.000 2.387 231 S HA -0.196 4.275 4.470 0.000 0.000 0.230 231 S C 2.057 176.642 174.600 -0.024 0.000 1.035 231 S CA 2.323 60.509 58.200 -0.023 0.000 1.014 231 S CB -0.211 62.993 63.200 0.006 0.000 0.836 231 S HN 0.527 nan 8.310 nan 0.000 0.466 232 T N 1.325 115.873 114.554 -0.010 0.000 2.698 232 T HA -0.028 4.322 4.350 0.000 0.000 0.260 232 T C 1.740 176.436 174.700 -0.007 0.000 1.044 232 T CA 1.442 63.539 62.100 -0.004 0.000 1.149 232 T CB -0.767 68.103 68.868 0.004 0.000 0.864 232 T HN 0.477 nan 8.240 nan 0.000 0.419 233 N N 0.201 118.897 118.700 -0.007 0.000 2.061 233 N HA -0.140 4.600 4.740 0.000 0.000 0.193 233 N C 2.048 177.549 175.510 -0.014 0.000 1.030 233 N CA 1.358 54.404 53.050 -0.008 0.000 0.856 233 N CB -0.576 37.907 38.487 -0.005 0.000 1.023 233 N HN 0.403 nan 8.380 nan 0.000 0.424 234 C N -0.463 118.819 119.300 -0.030 0.000 2.425 234 C HA -0.047 4.413 4.460 0.000 0.000 0.277 234 C C 2.482 177.456 174.990 -0.027 0.000 1.280 234 C CA 1.482 60.477 59.018 -0.039 0.000 1.744 234 C CB -1.507 26.181 27.740 -0.088 0.000 1.989 234 C HN 0.511 nan 8.230 nan 0.000 0.491 235 T N 0.346 114.884 114.554 -0.026 0.000 2.821 235 T HA -0.143 4.207 4.350 0.000 0.000 0.267 235 T C 1.581 176.276 174.700 -0.008 0.000 1.046 235 T CA 1.713 63.802 62.100 -0.018 0.000 1.139 235 T CB -0.282 68.578 68.868 -0.014 0.000 0.871 235 T HN 0.692 nan 8.240 nan 0.000 0.454 236 E N 0.820 121.017 120.200 -0.005 0.000 2.047 236 E HA -0.099 4.252 4.350 0.000 0.000 0.191 236 E C 2.446 179.046 176.600 -0.000 0.000 0.987 236 E CA 0.755 57.154 56.400 -0.001 0.000 0.799 236 E CB -0.014 29.687 29.700 0.000 0.000 0.752 236 E HN 0.436 nan 8.360 nan 0.000 0.449 237 E N 0.710 120.912 120.200 0.002 0.000 2.204 237 E HA -0.164 4.186 4.350 0.000 0.000 0.195 237 E C 2.212 178.820 176.600 0.014 0.000 0.990 237 E CA 0.578 56.985 56.400 0.010 0.000 0.821 237 E CB -0.067 29.647 29.700 0.023 0.000 0.750 237 E HN 0.305 nan 8.360 nan 0.000 0.477 238 L N 0.919 122.149 121.223 0.011 0.000 2.005 238 L HA -0.191 4.150 4.340 0.000 0.000 0.207 238 L C 2.450 179.319 176.870 -0.001 0.000 1.072 238 L CA 1.329 56.175 54.840 0.009 0.000 0.744 238 L CB -0.268 41.794 42.059 0.004 0.000 0.895 238 L HN 0.075 nan 8.230 nan 0.000 0.433 239 E N -0.090 120.108 120.200 -0.002 0.000 2.038 239 E HA -0.231 4.119 4.350 0.000 0.000 0.195 239 E C 1.863 178.459 176.600 -0.007 0.000 1.000 239 E CA 1.280 57.677 56.400 -0.004 0.000 0.803 239 E CB -0.278 29.421 29.700 -0.001 0.000 0.750 239 E HN 0.459 nan 8.360 nan 0.000 0.448 240 N N 0.542 119.238 118.700 -0.005 0.000 2.334 240 N HA -0.168 4.572 4.740 0.000 0.000 0.187 240 N C 1.408 176.911 175.510 -0.013 0.000 1.016 240 N CA 1.251 54.296 53.050 -0.009 0.000 0.879 240 N CB -0.077 38.405 38.487 -0.008 0.000 0.965 240 N HN 0.140 nan 8.380 nan 0.000 0.438 241 A N -0.736 122.077 122.820 -0.012 0.000 2.267 241 A HA 0.461 4.781 4.320 0.000 0.000 0.213 241 A C 1.526 179.093 177.584 -0.029 0.000 1.192 241 A CA 0.878 52.902 52.037 -0.021 0.000 0.851 241 A CB 0.262 19.247 19.000 -0.026 0.000 0.881 241 A HN 0.311 nan 8.150 nan 0.000 0.494 242 G N -1.836 106.951 108.800 -0.022 0.000 2.205 242 G HA2 -0.134 3.826 3.960 0.000 0.000 0.180 242 G HA3 -0.134 3.826 3.960 0.000 0.000 0.180 242 G C 0.057 174.946 174.900 -0.018 0.000 1.004 242 G CA -0.048 45.038 45.100 -0.022 0.000 0.670 242 G HN 0.625 nan 8.290 nan 0.000 0.496 243 V N 1.531 121.435 119.914 -0.016 0.000 2.488 243 V HA 0.422 4.543 4.120 0.000 0.000 0.277 243 V C 0.645 176.732 176.094 -0.013 0.000 1.046 243 V CA -0.223 62.069 62.300 -0.014 0.000 0.986 243 V CB 1.691 33.508 31.823 -0.009 0.000 0.989 243 V HN 0.371 nan 8.190 nan 0.000 0.475 244 E N 4.131 124.322 120.200 -0.015 0.000 2.044 244 E HA 0.289 4.639 4.350 0.000 0.000 0.282 244 E C -0.980 175.612 176.600 -0.014 0.000 1.031 244 E CA -0.459 55.933 56.400 -0.013 0.000 0.824 244 E CB 1.169 30.860 29.700 -0.014 0.000 1.076 244 E HN 0.539 nan 8.360 nan 0.000 0.395 245 V N 7.031 126.939 119.914 -0.010 0.000 2.389 245 V HA 0.102 4.222 4.120 0.000 0.000 0.264 245 V C 0.283 176.372 176.094 -0.008 0.000 1.049 245 V CA -0.253 62.038 62.300 -0.013 0.000 0.932 245 V CB 0.520 32.335 31.823 -0.013 0.000 1.011 245 V HN 0.617 nan 8.190 nan 0.000 0.475 246 L N 6.771 127.986 121.223 -0.014 0.000 2.302 246 L HA 0.400 4.740 4.340 0.000 0.000 0.285 246 L C 0.424 177.285 176.870 -0.014 0.000 1.090 246 L CA -0.291 54.547 54.840 -0.004 0.000 0.866 246 L CB 0.087 42.141 42.059 -0.009 0.000 1.244 246 L HN 0.577 nan 8.230 nan 0.000 0.435 247 K N 2.914 123.316 120.400 0.004 0.000 2.154 247 K HA 0.388 4.708 4.320 0.000 0.000 0.264 247 K C 0.022 176.643 176.600 0.035 0.000 1.008 247 K CA -0.766 55.486 56.287 -0.057 0.000 0.937 247 K CB 0.589 33.082 32.500 -0.011 0.000 1.002 247 K HN 0.257 nan 8.250 nan 0.000 0.469 248 F N -0.654 119.277 119.950 -0.032 0.000 3.069 248 F HA -0.289 4.238 4.527 0.000 0.000 0.285 248 F C -0.087 175.684 175.800 -0.048 0.000 0.827 248 F CA 0.495 58.454 58.000 -0.068 0.000 1.108 248 F CB -2.073 36.895 39.000 -0.053 0.000 1.252 248 F HN 0.321 nan 8.300 nan 0.000 0.483 249 S N -0.176 115.547 115.700 0.040 0.000 2.608 249 S HA 0.764 5.234 4.470 0.000 0.000 0.291 249 S C -0.093 174.521 174.600 0.023 0.000 1.146 249 S CA -0.794 57.429 58.200 0.039 0.000 1.043 249 S CB 2.576 65.792 63.200 0.027 0.000 1.037 249 S HN 0.258 nan 8.310 nan 0.000 0.520 250 Q N 0.726 120.548 119.800 0.037 0.000 2.389 250 Q HA 0.457 4.797 4.340 0.000 0.000 0.277 250 Q C -1.472 174.568 176.000 0.067 0.000 1.082 250 Q CA -0.841 54.994 55.803 0.054 0.000 0.810 250 Q CB 2.230 30.999 28.738 0.051 0.000 1.374 250 Q HN 0.429 nan 8.270 nan 0.000 0.422 251 V N 2.840 122.820 119.914 0.111 0.000 2.389 251 V HA 0.060 4.180 4.120 0.000 0.000 0.264 251 V C 1.062 177.232 176.094 0.126 0.000 1.049 251 V CA 0.254 62.628 62.300 0.123 0.000 0.932 251 V CB 0.839 32.783 31.823 0.202 0.000 1.011 251 V HN 0.724 nan 8.190 nan 0.000 0.475 252 K N 3.599 124.049 120.400 0.083 0.000 2.005 252 K HA 0.025 4.345 4.320 0.000 0.000 0.206 252 K C 0.583 177.231 176.600 0.079 0.000 1.044 252 K CA 1.182 57.510 56.287 0.068 0.000 0.942 252 K CB 0.388 32.914 32.500 0.045 0.000 0.727 252 K HN 0.942 nan 8.250 nan 0.000 0.439 253 E N -0.872 119.374 120.200 0.077 0.000 2.375 253 E HA 0.306 4.656 4.350 0.000 0.000 0.280 253 E C -1.444 175.199 176.600 0.073 0.000 0.972 253 E CA -0.938 55.510 56.400 0.081 0.000 0.782 253 E CB 1.927 31.660 29.700 0.055 0.000 1.229 253 E HN -0.196 nan 8.360 nan 0.000 0.439 254 V N 1.676 121.642 119.914 0.087 0.000 2.513 254 V HA 0.555 4.675 4.120 0.000 0.000 0.299 254 V C -0.377 175.744 176.094 0.044 0.000 1.035 254 V CA -0.723 61.613 62.300 0.060 0.000 0.889 254 V CB 1.563 33.438 31.823 0.087 0.000 0.988 254 V HN 0.613 nan 8.190 nan 0.000 0.440 255 K N 2.155 122.568 120.400 0.021 0.000 2.464 255 K HA 0.527 4.847 4.320 0.000 0.000 0.253 255 K C -1.145 175.458 176.600 0.004 0.000 0.933 255 K CA -1.163 55.133 56.287 0.015 0.000 0.801 255 K CB 2.488 34.995 32.500 0.012 0.000 1.271 255 K HN 0.443 nan 8.250 nan 0.000 0.430 256 K N 2.479 122.882 120.400 0.005 0.000 2.273 256 K HA 0.113 4.433 4.320 0.000 0.000 0.287 256 K C -0.095 176.502 176.600 -0.004 0.000 1.089 256 K CA -0.019 56.266 56.287 -0.002 0.000 0.909 256 K CB 0.227 32.728 32.500 0.001 0.000 1.123 256 K HN 0.698 nan 8.250 nan 0.000 0.473 257 T N 0.760 115.309 114.554 -0.009 0.000 2.891 257 T HA 0.243 4.594 4.350 0.000 0.000 0.294 257 T C 1.067 175.760 174.700 -0.011 0.000 1.065 257 T CA -0.336 61.759 62.100 -0.009 0.000 0.936 257 T CB 0.265 69.127 68.868 -0.011 0.000 1.415 257 T HN 0.292 nan 8.240 nan 0.000 0.572 258 L N -0.386 120.831 121.223 -0.011 0.000 2.477 258 L HA 0.334 4.674 4.340 0.000 0.000 0.220 258 L C 2.069 178.930 176.870 -0.016 0.000 1.106 258 L CA 0.694 55.527 54.840 -0.012 0.000 0.851 258 L CB -1.331 40.722 42.059 -0.010 0.000 0.994 258 L HN 0.747 nan 8.230 nan 0.000 0.462 259 S N -1.302 114.388 115.700 -0.017 0.000 2.572 259 S HA 0.695 5.165 4.470 0.000 0.000 0.228 259 S C 0.868 175.453 174.600 -0.026 0.000 0.963 259 S CA 0.070 58.258 58.200 -0.020 0.000 0.939 259 S CB -0.093 63.096 63.200 -0.018 0.000 0.804 259 S HN 0.760 nan 8.310 nan 0.000 0.480 260 G N 0.946 109.730 108.800 -0.027 0.000 2.225 260 G HA2 0.094 4.054 3.960 0.000 0.000 0.203 260 G HA3 0.094 4.054 3.960 0.000 0.000 0.203 260 G C -1.539 173.343 174.900 -0.031 0.000 1.335 260 G CA -0.742 44.338 45.100 -0.033 0.000 1.183 260 G HN 0.347 nan 8.290 nan 0.000 0.488 261 L N 0.597 121.797 121.223 -0.038 0.000 2.322 261 L HA 0.774 5.114 4.340 0.000 0.000 0.269 261 L C -0.065 176.785 176.870 -0.033 0.000 1.012 261 L CA -0.733 54.086 54.840 -0.035 0.000 0.815 261 L CB 2.121 44.150 42.059 -0.049 0.000 1.295 261 L HN 0.701 nan 8.230 nan 0.000 0.438 262 E N 1.337 121.522 120.200 -0.025 0.000 2.220 262 E HA 0.385 4.735 4.350 0.000 0.000 0.256 262 E C -1.736 174.853 176.600 -0.018 0.000 0.881 262 E CA -0.527 55.860 56.400 -0.021 0.000 0.766 262 E CB 1.952 31.645 29.700 -0.012 0.000 1.187 262 E HN 0.290 nan 8.360 nan 0.000 0.419 263 V N 3.484 123.381 119.914 -0.028 0.000 2.383 263 V HA 0.232 4.352 4.120 0.000 0.000 0.275 263 V C -0.042 176.047 176.094 -0.009 0.000 1.036 263 V CA -0.502 61.783 62.300 -0.025 0.000 0.889 263 V CB 1.483 33.271 31.823 -0.058 0.000 0.985 263 V HN 0.611 nan 8.190 nan 0.000 0.459 264 S N 7.015 122.721 115.700 0.009 0.000 2.438 264 S HA 0.635 5.105 4.470 0.000 0.000 0.293 264 S C -0.298 174.316 174.600 0.022 0.000 1.141 264 S CA -0.425 57.783 58.200 0.015 0.000 1.080 264 S CB 0.861 64.073 63.200 0.022 0.000 0.978 264 S HN 0.796 nan 8.310 nan 0.000 0.479 265 M N 3.605 123.214 119.600 0.016 0.000 2.716 265 M HA 0.723 5.204 4.480 0.000 0.000 0.307 265 M C -1.965 174.349 176.300 0.024 0.000 1.223 265 M CA -0.749 54.564 55.300 0.021 0.000 0.871 265 M CB 1.640 34.246 32.600 0.010 0.000 1.739 265 M HN 0.345 nan 8.290 nan 0.000 0.475 266 V N 1.793 121.725 119.914 0.030 0.000 2.482 266 V HA 0.385 4.505 4.120 0.000 0.000 0.295 266 V C -0.728 175.389 176.094 0.039 0.000 1.026 266 V CA -0.619 61.699 62.300 0.030 0.000 0.856 266 V CB 1.526 33.367 31.823 0.030 0.000 1.001 266 V HN 0.926 nan 8.190 nan 0.000 0.424 267 T N 4.325 118.903 114.554 0.039 0.000 2.781 267 T HA 0.528 4.878 4.350 0.000 0.000 0.305 267 T C 0.412 175.142 174.700 0.050 0.000 1.001 267 T CA -0.067 62.070 62.100 0.062 0.000 0.950 267 T CB 1.124 70.027 68.868 0.058 0.000 0.955 267 T HN 0.848 nan 8.240 nan 0.000 0.471 268 A N 4.099 126.961 122.820 0.070 0.000 3.079 268 A HA 0.527 4.847 4.320 0.000 0.000 0.315 268 A C 0.342 177.884 177.584 -0.069 0.000 1.334 268 A CA -0.577 51.468 52.037 0.013 0.000 1.048 268 A CB -0.149 18.863 19.000 0.020 0.000 1.156 268 A HN 0.668 nan 8.150 nan 0.000 0.523 269 V N 4.637 124.468 119.914 -0.138 0.000 2.421 269 V HA 0.129 4.249 4.120 0.000 0.000 0.271 269 V C -1.673 174.175 176.094 -0.410 0.000 1.031 269 V CA -1.084 60.964 62.300 -0.422 0.000 1.032 269 V CB 0.418 32.115 31.823 -0.210 0.000 1.009 269 V HN 0.715 nan 8.190 nan 0.000 0.477 270 P HA 0.069 nan 4.420 nan 0.000 0.262 270 P C 0.884 178.052 177.300 -0.220 0.000 1.182 270 P CA 1.338 64.244 63.100 -0.323 0.000 0.761 270 P CB 0.817 32.318 31.700 -0.332 0.000 0.795 271 G N 2.669 111.388 108.800 -0.135 0.000 2.213 271 G HA2 -0.165 3.795 3.960 0.000 0.000 0.226 271 G HA3 -0.165 3.795 3.960 0.000 0.000 0.226 271 G C 0.255 175.106 174.900 -0.080 0.000 0.992 271 G CA -0.386 44.657 45.100 -0.095 0.000 0.632 271 G HN 0.643 nan 8.290 nan 0.000 0.511 272 R N -0.602 119.841 120.500 -0.094 0.000 2.939 272 R HA 0.755 5.096 4.340 0.000 0.000 0.254 272 R C -0.333 175.933 176.300 -0.057 0.000 1.123 272 R CA -0.968 55.092 56.100 -0.067 0.000 1.020 272 R CB 0.938 31.198 30.300 -0.068 0.000 1.206 272 R HN 0.155 nan 8.270 nan 0.000 0.491 273 L N 2.275 123.475 121.223 -0.039 0.000 2.326 273 L HA 0.334 4.674 4.340 0.000 0.000 0.278 273 L C -1.949 174.907 176.870 -0.023 0.000 1.092 273 L CA -1.919 52.904 54.840 -0.028 0.000 0.810 273 L CB 0.810 42.857 42.059 -0.020 0.000 1.153 273 L HN 0.201 nan 8.230 nan 0.000 0.439 274 P HA 0.006 nan 4.420 nan 0.000 0.266 274 P C -1.072 176.227 177.300 -0.002 0.000 1.193 274 P CA -0.011 63.084 63.100 -0.007 0.000 0.770 274 P CB 0.737 32.436 31.700 -0.003 0.000 0.836 275 V N 3.731 123.648 119.914 0.004 0.000 2.760 275 V HA 0.608 4.729 4.120 0.000 0.000 0.309 275 V C -0.933 175.167 176.094 0.010 0.000 1.077 275 V CA -0.941 61.362 62.300 0.005 0.000 0.910 275 V CB 2.022 33.847 31.823 0.004 0.000 1.008 275 V HN 0.373 nan 8.190 nan 0.000 0.424 276 M N 5.144 124.749 119.600 0.008 0.000 2.233 276 M HA 0.720 5.200 4.480 0.000 0.000 0.355 276 M C -0.230 176.075 176.300 0.008 0.000 1.191 276 M CA 0.640 55.946 55.300 0.010 0.000 1.101 276 M CB 1.643 34.248 32.600 0.009 0.000 1.592 276 M HN 0.888 nan 8.290 nan 0.000 0.461 277 T N 4.832 119.391 114.554 0.008 0.000 2.909 277 T HA 0.647 4.997 4.350 0.000 0.000 0.299 277 T C -0.963 173.738 174.700 0.001 0.000 1.073 277 T CA -0.917 61.185 62.100 0.004 0.000 0.999 277 T CB 1.401 70.272 68.868 0.005 0.000 1.098 277 T HN 0.490 nan 8.240 nan 0.000 0.477 278 M N 3.041 122.640 119.600 -0.002 0.000 2.294 278 M HA 0.507 4.987 4.480 0.000 0.000 0.335 278 M C -1.059 175.234 176.300 -0.012 0.000 1.079 278 M CA -0.932 54.364 55.300 -0.006 0.000 0.982 278 M CB 1.327 33.923 32.600 -0.006 0.000 1.651 278 M HN 0.418 nan 8.290 nan 0.000 0.437 279 I N 6.096 126.655 120.570 -0.019 0.000 2.355 279 I HA 0.494 4.664 4.170 0.000 0.000 0.288 279 I C -2.283 173.817 176.117 -0.029 0.000 0.999 279 I CA -1.999 59.285 61.300 -0.026 0.000 1.163 279 I CB 1.418 39.396 38.000 -0.038 0.000 1.316 279 I HN 0.315 nan 8.210 nan 0.000 0.454 280 P HA 0.411 nan 4.420 nan 0.000 0.288 280 P C -0.783 176.499 177.300 -0.030 0.000 1.300 280 P CA -0.287 62.798 63.100 -0.025 0.000 0.910 280 P CB 1.699 33.388 31.700 -0.018 0.000 1.256 281 D N -2.371 118.011 120.400 -0.030 0.000 2.945 281 D HA -0.106 4.534 4.640 0.000 0.000 0.225 281 D C -0.142 176.132 176.300 -0.042 0.000 1.158 281 D CA 0.624 54.604 54.000 -0.033 0.000 0.805 281 D CB -2.133 38.651 40.800 -0.028 0.000 1.098 281 D HN 0.078 nan 8.370 nan 0.000 0.426 282 V N 1.201 121.086 119.914 -0.050 0.000 2.508 282 V HA 0.010 4.130 4.120 0.000 0.000 0.281 282 V C 1.498 177.551 176.094 -0.068 0.000 1.041 282 V CA 0.238 62.499 62.300 -0.064 0.000 1.016 282 V CB 1.461 33.237 31.823 -0.079 0.000 0.984 282 V HN 0.005 nan 8.190 nan 0.000 0.478 283 D N 1.848 122.203 120.400 -0.074 0.000 2.201 283 D HA 0.047 4.687 4.640 0.000 0.000 0.209 283 D C 0.525 176.770 176.300 -0.091 0.000 0.961 283 D CA 0.797 54.748 54.000 -0.081 0.000 0.861 283 D CB 0.373 41.119 40.800 -0.090 0.000 0.997 283 D HN 0.547 nan 8.370 nan 0.000 0.486 284 C N 1.455 120.696 119.300 -0.098 0.000 2.364 284 C HA 0.615 5.075 4.460 0.000 0.000 0.324 284 C C -1.190 173.719 174.990 -0.136 0.000 1.234 284 C CA -0.923 58.033 59.018 -0.103 0.000 1.417 284 C CB -0.164 27.524 27.740 -0.086 0.000 2.101 284 C HN 0.154 nan 8.230 nan 0.000 0.466 285 L N 7.350 128.463 121.223 -0.183 0.000 2.295 285 L HA 0.640 4.980 4.340 0.000 0.000 0.281 285 L C -1.011 175.626 176.870 -0.387 0.000 1.018 285 L CA -0.085 54.562 54.840 -0.322 0.000 0.841 285 L CB 0.986 42.811 42.059 -0.389 0.000 1.218 285 L HN 0.764 nan 8.230 nan 0.000 0.424 286 L N 5.360 126.377 121.223 -0.343 0.000 2.287 286 L HA 0.458 4.799 4.340 0.000 0.000 0.287 286 L C -1.187 175.532 176.870 -0.252 0.000 1.022 286 L CA -0.479 54.219 54.840 -0.236 0.000 0.814 286 L CB 0.921 42.909 42.059 -0.118 0.000 1.217 286 L HN 0.701 nan 8.230 nan 0.000 0.420 287 W N 4.778 126.052 121.300 -0.043 0.000 2.358 287 W HA 0.474 5.135 4.660 0.000 0.000 0.307 287 W C 0.397 176.877 176.519 -0.064 0.000 1.203 287 W CA -0.633 56.685 57.345 -0.045 0.000 1.279 287 W CB 1.262 30.699 29.460 -0.038 0.000 1.264 287 W HN 0.570 nan 8.180 nan 0.000 0.474 288 A N 5.253 128.174 122.820 0.169 0.000 2.956 288 A HA 0.218 4.538 4.320 0.000 0.000 0.294 288 A C 0.881 178.495 177.584 0.050 0.000 0.993 288 A CA -0.404 51.659 52.037 0.044 0.000 1.032 288 A CB -0.676 18.297 19.000 -0.044 0.000 1.129 288 A HN 0.796 nan 8.150 nan 0.000 0.505 289 I N -3.949 116.679 120.570 0.097 0.000 3.226 289 I HA 0.534 4.704 4.170 0.000 0.000 0.277 289 I C 0.721 176.854 176.117 0.027 0.000 1.243 289 I CA 0.587 61.925 61.300 0.064 0.000 1.459 289 I CB 0.371 38.414 38.000 0.072 0.000 1.093 289 I HN 0.340 nan 8.210 nan 0.000 0.453 290 G N 1.241 110.050 108.800 0.014 0.000 2.320 290 G HA2 0.323 4.283 3.960 0.000 0.000 0.297 290 G HA3 0.323 4.283 3.960 0.000 0.000 0.297 290 G C -1.683 173.226 174.900 0.015 0.000 1.344 290 G CA -1.019 44.091 45.100 0.016 0.000 0.851 290 G HN 0.080 nan 8.290 nan 0.000 0.567 291 R N -0.192 120.330 120.500 0.036 0.000 2.439 291 R HA 0.633 4.973 4.340 0.000 0.000 0.310 291 R C -0.723 175.595 176.300 0.031 0.000 0.955 291 R CA -0.678 55.445 56.100 0.038 0.000 0.853 291 R CB 1.752 32.092 30.300 0.068 0.000 1.171 291 R HN 0.594 nan 8.270 nan 0.000 0.449 292 V N 4.637 124.544 119.914 -0.012 0.000 2.539 292 V HA 0.420 4.540 4.120 0.000 0.000 0.292 292 V C -2.161 173.880 176.094 -0.089 0.000 1.045 292 V CA -2.547 59.714 62.300 -0.067 0.000 0.945 292 V CB 2.034 33.820 31.823 -0.061 0.000 0.993 292 V HN 0.535 nan 8.190 nan 0.000 0.464 293 P HA 0.190 nan 4.420 nan 0.000 0.269 293 P C -0.998 176.265 177.300 -0.062 0.000 1.215 293 P CA -0.027 62.984 63.100 -0.148 0.000 0.780 293 P CB 0.340 31.860 31.700 -0.300 0.000 0.898 294 N N 0.770 119.464 118.700 -0.010 0.000 3.322 294 N HA 0.116 4.857 4.740 0.000 0.000 0.290 294 N C 0.499 176.033 175.510 0.040 0.000 1.297 294 N CA 0.086 53.150 53.050 0.023 0.000 1.167 294 N CB -0.478 38.036 38.487 0.044 0.000 1.434 294 N HN 0.372 nan 8.380 nan 0.000 0.526 295 T N -3.513 111.056 114.554 0.025 0.000 2.954 295 T HA 0.156 4.507 4.350 0.000 0.000 0.252 295 T C 1.656 176.391 174.700 0.059 0.000 0.983 295 T CA -0.044 62.083 62.100 0.044 0.000 0.941 295 T CB 0.185 69.066 68.868 0.022 0.000 1.141 295 T HN -0.084 nan 8.240 nan 0.000 0.500 296 K N 2.223 122.651 120.400 0.046 0.000 2.097 296 K HA -0.012 4.308 4.320 0.000 0.000 0.206 296 K C 1.438 178.090 176.600 0.086 0.000 1.049 296 K CA 1.352 57.669 56.287 0.051 0.000 0.933 296 K CB -0.547 31.971 32.500 0.030 0.000 0.717 296 K HN 0.353 nan 8.250 nan 0.000 0.442 297 D N 0.068 120.540 120.400 0.121 0.000 2.352 297 D HA -0.053 4.587 4.640 0.000 0.000 0.232 297 D C 1.086 177.541 176.300 0.258 0.000 1.055 297 D CA 0.407 54.522 54.000 0.191 0.000 0.891 297 D CB 0.237 41.154 40.800 0.195 0.000 0.897 297 D HN 0.252 nan 8.370 nan 0.000 0.529 298 L N -0.144 121.188 121.223 0.182 0.000 2.446 298 L HA -0.012 4.328 4.340 0.000 0.000 0.219 298 L C 0.573 177.606 176.870 0.273 0.000 1.116 298 L CA 0.106 55.067 54.840 0.201 0.000 0.844 298 L CB 0.034 42.241 42.059 0.247 0.000 0.970 298 L HN -0.177 nan 8.230 nan 0.000 0.457 299 S N 0.031 115.837 115.700 0.177 0.000 3.706 299 S HA -0.170 4.301 4.470 0.000 0.000 0.363 299 S C 1.230 175.895 174.600 0.109 0.000 0.999 299 S CA 0.092 58.376 58.200 0.140 0.000 1.143 299 S CB -1.591 61.701 63.200 0.152 0.000 0.902 299 S HN 0.330 nan 8.310 nan 0.000 0.476 300 L N 1.258 122.505 121.223 0.041 0.000 2.079 300 L HA -0.221 4.119 4.340 0.000 0.000 0.210 300 L C 2.474 179.277 176.870 -0.113 0.000 1.081 300 L CA 1.944 56.718 54.840 -0.110 0.000 0.752 300 L CB -0.562 41.449 42.059 -0.081 0.000 0.896 300 L HN 0.713 nan 8.230 nan 0.000 0.433 301 N N -0.201 118.474 118.700 -0.042 0.000 2.430 301 N HA -0.206 4.534 4.740 0.000 0.000 0.186 301 N C 1.391 176.883 175.510 -0.029 0.000 1.032 301 N CA 0.847 53.878 53.050 -0.033 0.000 0.893 301 N CB -0.282 38.200 38.487 -0.009 0.000 0.957 301 N HN 0.372 nan 8.380 nan 0.000 0.442 302 K N 0.701 121.092 120.400 -0.015 0.000 2.211 302 K HA 0.075 4.396 4.320 0.000 0.000 0.203 302 K C 1.895 178.479 176.600 -0.026 0.000 1.050 302 K CA 0.515 56.804 56.287 0.003 0.000 0.945 302 K CB 0.074 32.607 32.500 0.054 0.000 0.732 302 K HN 0.353 nan 8.250 nan 0.000 0.451 303 L N -1.285 119.886 121.223 -0.086 0.000 2.575 303 L HA 0.173 4.513 4.340 0.000 0.000 0.228 303 L C 0.915 177.722 176.870 -0.104 0.000 1.075 303 L CA 0.367 55.142 54.840 -0.109 0.000 0.867 303 L CB 0.376 42.310 42.059 -0.209 0.000 1.097 303 L HN 0.290 nan 8.230 nan 0.000 0.485 304 G N 1.462 110.200 108.800 -0.104 0.000 2.142 304 G HA2 -0.249 3.711 3.960 0.000 0.000 0.225 304 G HA3 -0.249 3.711 3.960 0.000 0.000 0.225 304 G C 0.127 174.968 174.900 -0.099 0.000 1.015 304 G CA -0.388 44.663 45.100 -0.081 0.000 0.716 304 G HN 0.226 nan 8.290 nan 0.000 0.508 305 I N 1.767 122.248 120.570 -0.148 0.000 2.578 305 I HA 0.127 4.297 4.170 0.000 0.000 0.286 305 I C 1.383 177.442 176.117 -0.096 0.000 1.126 305 I CA -0.100 61.108 61.300 -0.154 0.000 1.380 305 I CB 0.457 38.307 38.000 -0.249 0.000 1.408 305 I HN 0.540 nan 8.210 nan 0.000 0.532 306 Q N 5.778 125.539 119.800 -0.065 0.000 2.394 306 Q HA 0.426 4.767 4.340 0.000 0.000 0.248 306 Q C -0.240 175.746 176.000 -0.023 0.000 0.992 306 Q CA -0.549 55.231 55.803 -0.039 0.000 0.888 306 Q CB 1.175 29.897 28.738 -0.027 0.000 1.257 306 Q HN 0.689 nan 8.270 nan 0.000 0.462 307 T N -1.415 113.134 114.554 -0.009 0.000 2.804 307 T HA 0.435 4.785 4.350 0.000 0.000 0.290 307 T C -0.738 173.976 174.700 0.022 0.000 1.099 307 T CA -0.616 61.492 62.100 0.013 0.000 1.011 307 T CB 1.299 70.173 68.868 0.011 0.000 1.291 307 T HN 0.782 nan 8.240 nan 0.000 0.523 308 D N -0.688 119.743 120.400 0.051 0.000 2.506 308 D HA 0.196 4.836 4.640 0.000 0.000 0.272 308 D C 0.900 177.227 176.300 0.046 0.000 1.214 308 D CA -0.580 53.452 54.000 0.053 0.000 1.067 308 D CB 0.208 41.057 40.800 0.083 0.000 1.117 308 D HN 0.672 nan 8.370 nan 0.000 0.578 309 D N -0.764 119.661 120.400 0.042 0.000 2.350 309 D HA -0.177 4.463 4.640 0.000 0.000 0.216 309 D C 0.658 176.975 176.300 0.028 0.000 0.968 309 D CA 0.757 54.774 54.000 0.027 0.000 0.894 309 D CB -0.093 40.719 40.800 0.021 0.000 0.909 309 D HN 0.412 nan 8.370 nan 0.000 0.520 310 K N -0.613 119.820 120.400 0.054 0.000 2.372 310 K HA 0.299 4.619 4.320 0.000 0.000 0.200 310 K C 1.127 177.668 176.600 -0.098 0.000 1.022 310 K CA 0.369 56.661 56.287 0.008 0.000 1.125 310 K CB 0.977 33.524 32.500 0.079 0.000 0.855 310 K HN 0.215 nan 8.250 nan 0.000 0.524 311 G N 1.310 110.082 108.800 -0.048 0.000 2.195 311 G HA2 -0.276 3.685 3.960 0.000 0.000 0.246 311 G HA3 -0.276 3.685 3.960 0.000 0.000 0.246 311 G C -0.232 174.623 174.900 -0.076 0.000 0.984 311 G CA -0.061 44.996 45.100 -0.072 0.000 0.633 311 G HN 0.470 nan 8.290 nan 0.000 0.525 312 H N 0.042 119.116 119.070 0.006 0.000 2.972 312 H HA 0.425 4.981 4.556 0.000 0.000 0.343 312 H C 1.129 176.458 175.328 0.003 0.000 1.054 312 H CA 0.585 56.637 56.048 0.007 0.000 1.412 312 H CB 0.570 30.332 29.762 0.000 0.000 1.385 312 H HN 0.310 nan 8.280 nan 0.000 0.600 313 I N 4.125 124.772 120.570 0.129 0.000 2.371 313 I HA 0.026 4.196 4.170 0.000 0.000 0.290 313 I C -0.058 176.095 176.117 0.061 0.000 1.028 313 I CA -0.333 61.008 61.300 0.068 0.000 1.345 313 I CB 0.632 38.665 38.000 0.055 0.000 1.407 313 I HN 0.359 nan 8.210 nan 0.000 0.501 314 I N 7.743 128.332 120.570 0.032 0.000 2.396 314 I HA 0.256 4.426 4.170 0.000 0.000 0.289 314 I C 0.227 176.355 176.117 0.018 0.000 1.056 314 I CA -0.183 61.127 61.300 0.016 0.000 1.365 314 I CB 0.574 38.577 38.000 0.004 0.000 1.407 314 I HN 0.262 nan 8.210 nan 0.000 0.509 315 V N 2.873 122.799 119.914 0.021 0.000 3.102 315 V HA 0.691 4.811 4.120 0.000 0.000 0.312 315 V C -0.407 175.709 176.094 0.037 0.000 1.135 315 V CA -0.957 61.372 62.300 0.047 0.000 1.022 315 V CB 2.157 34.031 31.823 0.085 0.000 1.056 315 V HN 0.716 nan 8.190 nan 0.000 0.436 316 D N 0.915 121.359 120.400 0.075 0.000 2.478 316 D HA 0.158 4.798 4.640 0.000 0.000 0.274 316 D C 1.132 177.444 176.300 0.019 0.000 1.234 316 D CA 0.256 54.290 54.000 0.057 0.000 1.069 316 D CB 0.392 41.260 40.800 0.113 0.000 1.113 316 D HN 0.820 nan 8.370 nan 0.000 0.571 317 E N -0.577 119.560 120.200 -0.106 0.000 2.265 317 E HA -0.177 4.173 4.350 0.000 0.000 0.196 317 E C 0.777 177.223 176.600 -0.257 0.000 0.996 317 E CA 0.853 57.105 56.400 -0.247 0.000 0.832 317 E CB -0.558 28.854 29.700 -0.480 0.000 0.756 317 E HN 0.421 nan 8.360 nan 0.000 0.491 318 F N 1.600 121.619 119.950 0.115 0.000 2.660 318 F HA 0.216 4.743 4.527 0.000 0.000 0.297 318 F C 0.300 176.195 175.800 0.159 0.000 1.132 318 F CA -0.298 57.774 58.000 0.119 0.000 1.372 318 F CB 0.190 39.253 39.000 0.104 0.000 1.003 318 F HN -0.173 nan 8.300 nan 0.000 0.524 319 Q N -0.921 119.047 119.800 0.280 0.000 2.480 319 Q HA -0.252 4.089 4.340 0.000 0.000 0.265 319 Q C -0.829 175.370 176.000 0.331 0.000 1.072 319 Q CA 0.462 56.426 55.803 0.269 0.000 1.018 319 Q CB -2.394 26.504 28.738 0.267 0.000 1.433 319 Q HN 0.404 nan 8.270 nan 0.000 0.513 320 N N 1.839 120.718 118.700 0.298 0.000 2.458 320 N HA 0.169 4.909 4.740 0.000 0.000 0.270 320 N C 0.741 176.298 175.510 0.079 0.000 1.102 320 N CA 0.594 53.772 53.050 0.213 0.000 0.967 320 N CB 1.106 39.718 38.487 0.207 0.000 1.078 320 N HN 0.386 nan 8.380 nan 0.000 0.471 321 T N -0.660 113.883 114.554 -0.018 0.000 2.753 321 T HA 0.077 4.427 4.350 0.000 0.000 0.309 321 T C 1.380 176.053 174.700 -0.046 0.000 1.043 321 T CA -0.450 61.628 62.100 -0.036 0.000 0.964 321 T CB 0.376 69.193 68.868 -0.086 0.000 1.206 321 T HN 0.518 nan 8.240 nan 0.000 0.528 322 N N -0.566 118.103 118.700 -0.052 0.000 2.463 322 N HA 0.004 4.744 4.740 0.000 0.000 0.181 322 N C 0.206 175.678 175.510 -0.063 0.000 1.078 322 N CA 0.037 53.061 53.050 -0.043 0.000 0.902 322 N CB -0.570 37.896 38.487 -0.035 0.000 0.970 322 N HN 0.388 nan 8.380 nan 0.000 0.451 323 V N 0.975 120.830 119.914 -0.099 0.000 2.617 323 V HA 0.190 4.311 4.120 0.000 0.000 0.298 323 V C 0.470 176.481 176.094 -0.139 0.000 1.048 323 V CA -0.892 61.341 62.300 -0.112 0.000 0.964 323 V CB 1.558 33.297 31.823 -0.141 0.000 1.004 323 V HN 0.056 nan 8.190 nan 0.000 0.466 324 K N 2.163 122.497 120.400 -0.109 0.000 2.297 324 K HA 0.489 4.809 4.320 0.000 0.000 0.286 324 K C 0.956 177.468 176.600 -0.147 0.000 1.053 324 K CA 0.821 57.040 56.287 -0.113 0.000 0.940 324 K CB 0.805 33.269 32.500 -0.059 0.000 1.019 324 K HN 1.076 nan 8.250 nan 0.000 0.475 325 G N 3.089 111.752 108.800 -0.229 0.000 2.175 325 G HA2 -0.216 3.745 3.960 0.000 0.000 0.244 325 G HA3 -0.216 3.745 3.960 0.000 0.000 0.244 325 G C -0.020 174.695 174.900 -0.307 0.000 0.982 325 G CA -0.353 44.632 45.100 -0.190 0.000 0.641 325 G HN 0.542 nan 8.290 nan 0.000 0.527 326 I N 0.093 120.303 120.570 -0.599 0.000 2.498 326 I HA 0.654 4.825 4.170 0.000 0.000 0.290 326 I C -0.275 175.414 176.117 -0.714 0.000 1.032 326 I CA -1.246 59.794 61.300 -0.433 0.000 1.073 326 I CB 1.684 39.576 38.000 -0.179 0.000 1.251 326 I HN 0.033 nan 8.210 nan 0.000 0.426 327 Y N 3.514 123.895 120.300 0.135 0.000 2.665 327 Y HA 0.868 5.419 4.550 0.000 0.000 0.336 327 Y C -0.058 175.910 175.900 0.113 0.000 1.085 327 Y CA -1.202 56.976 58.100 0.130 0.000 1.096 327 Y CB 1.748 40.310 38.460 0.170 0.000 1.301 327 Y HN 0.566 nan 8.280 nan 0.000 0.493 328 A N 0.655 123.639 122.820 0.273 0.000 2.520 328 A HA 0.852 5.172 4.320 0.000 0.000 0.298 328 A C -1.570 176.121 177.584 0.177 0.000 1.051 328 A CA -0.574 51.574 52.037 0.185 0.000 0.690 328 A CB 1.383 20.459 19.000 0.127 0.000 1.281 328 A HN 1.275 nan 8.150 nan 0.000 0.402 329 V N -0.668 119.335 119.914 0.149 0.000 3.012 329 V HA 0.991 5.112 4.120 0.000 0.000 0.307 329 V C 0.294 176.461 176.094 0.122 0.000 1.166 329 V CA 0.342 62.728 62.300 0.143 0.000 0.974 329 V CB 0.946 32.853 31.823 0.139 0.000 1.040 329 V HN 2.979 nan 8.190 nan 0.000 0.428 330 G N 2.982 111.861 108.800 0.131 0.000 2.615 330 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 330 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 330 G C -0.010 174.960 174.900 0.116 0.000 1.339 330 G CA 0.593 45.764 45.100 0.118 0.000 0.884 330 G HN 1.120 nan 8.290 nan 0.000 0.559 331 D N -0.739 119.727 120.400 0.111 0.000 2.203 331 D HA -0.094 4.546 4.640 0.000 0.000 0.199 331 D C 2.463 178.850 176.300 0.146 0.000 0.997 331 D CA 1.595 55.668 54.000 0.122 0.000 0.863 331 D CB -0.229 40.635 40.800 0.108 0.000 0.928 331 D HN 0.592 nan 8.370 nan 0.000 0.458 332 V N -0.137 119.851 119.914 0.123 0.000 2.392 332 V HA -0.262 3.858 4.120 0.000 0.000 0.249 332 V C 1.993 178.199 176.094 0.186 0.000 1.059 332 V CA 1.546 63.920 62.300 0.123 0.000 1.051 332 V CB -0.206 31.672 31.823 0.091 0.000 0.658 332 V HN 0.353 nan 8.190 nan 0.000 0.455 333 C N 0.455 119.848 119.300 0.155 0.000 2.500 333 C HA 0.349 4.809 4.460 0.000 0.000 0.273 333 C C 2.176 177.203 174.990 0.062 0.000 1.428 333 C CA 0.418 59.507 59.018 0.119 0.000 1.766 333 C CB -1.040 26.735 27.740 0.059 0.000 1.817 333 C HN 0.908 nan 8.230 nan 0.000 0.543 334 G N 0.748 109.623 108.800 0.125 0.000 2.234 334 G HA2 -0.283 3.678 3.960 0.000 0.000 0.260 334 G HA3 -0.283 3.678 3.960 0.000 0.000 0.260 334 G C 0.153 174.961 174.900 -0.153 0.000 0.987 334 G CA 0.696 45.705 45.100 -0.152 0.000 0.625 334 G HN 0.556 nan 8.290 nan 0.000 0.532 335 K N 0.835 121.167 120.400 -0.113 0.000 2.211 335 K HA 0.717 5.037 4.320 0.000 0.000 0.275 335 K C 0.635 177.225 176.600 -0.016 0.000 1.024 335 K CA 0.612 56.817 56.287 -0.136 0.000 0.887 335 K CB 0.892 33.207 32.500 -0.309 0.000 1.084 335 K HN 1.900 nan 8.250 nan 0.000 0.463 336 A N 4.834 127.662 122.820 0.014 0.000 2.303 336 A HA -0.134 4.186 4.320 0.000 0.000 0.286 336 A C -0.220 177.427 177.584 0.104 0.000 1.429 336 A CA 0.546 52.634 52.037 0.086 0.000 0.738 336 A CB -2.061 17.054 19.000 0.191 0.000 1.149 336 A HN 0.708 nan 8.150 nan 0.000 0.364 337 L N 1.311 122.595 121.223 0.100 0.000 2.505 337 L HA 0.274 4.614 4.340 0.000 0.000 0.275 337 L C 0.288 177.234 176.870 0.127 0.000 1.264 337 L CA 0.549 55.466 54.840 0.127 0.000 1.148 337 L CB -0.797 41.355 42.059 0.155 0.000 1.377 337 L HN 0.573 nan 8.230 nan 0.000 0.442 338 L N 0.514 121.797 121.223 0.100 0.000 2.466 338 L HA 0.294 4.635 4.340 0.000 0.000 0.258 338 L C 1.093 178.007 176.870 0.073 0.000 0.973 338 L CA -0.499 54.383 54.840 0.071 0.000 0.826 338 L CB 2.249 44.328 42.059 0.033 0.000 1.372 338 L HN 0.092 nan 8.230 nan 0.000 0.409 339 T N 0.768 115.361 114.554 0.065 0.000 2.708 339 T HA -0.065 4.285 4.350 0.000 0.000 0.266 339 T C -1.178 173.557 174.700 0.059 0.000 1.037 339 T CA 1.775 63.914 62.100 0.064 0.000 1.146 339 T CB -0.487 68.416 68.868 0.058 0.000 0.865 339 T HN 0.457 nan 8.240 nan 0.000 0.435 340 P HA 0.014 nan 4.420 nan 0.000 0.220 340 P C 1.434 178.750 177.300 0.028 0.000 1.148 340 P CA 0.537 63.658 63.100 0.035 0.000 0.803 340 P CB -0.101 31.611 31.700 0.021 0.000 0.782 341 V N -0.248 119.689 119.914 0.038 0.000 2.488 341 V HA -0.158 3.962 4.120 0.000 0.000 0.246 341 V C 2.388 178.520 176.094 0.064 0.000 1.046 341 V CA 1.960 64.282 62.300 0.037 0.000 1.053 341 V CB -1.603 30.277 31.823 0.094 0.000 0.679 341 V HN 0.091 nan 8.190 nan 0.000 0.458 342 A N 0.325 123.195 122.820 0.082 0.000 1.855 342 A HA -0.145 4.175 4.320 0.000 0.000 0.215 342 A C 2.191 179.822 177.584 0.078 0.000 1.191 342 A CA 1.808 53.900 52.037 0.091 0.000 0.613 342 A CB -0.519 18.533 19.000 0.087 0.000 0.829 342 A HN 0.437 nan 8.150 nan 0.000 0.442 343 I N -0.132 120.481 120.570 0.072 0.000 2.069 343 I HA -0.346 3.824 4.170 0.000 0.000 0.237 343 I C 3.010 179.158 176.117 0.052 0.000 1.053 343 I CA 1.364 62.709 61.300 0.074 0.000 1.311 343 I CB -0.484 37.562 38.000 0.076 0.000 1.030 343 I HN 0.369 nan 8.210 nan 0.000 0.398 344 A N 0.492 123.329 122.820 0.028 0.000 1.986 344 A HA -0.236 4.084 4.320 0.000 0.000 0.220 344 A C 2.426 180.008 177.584 -0.002 0.000 1.171 344 A CA 2.180 54.218 52.037 0.001 0.000 0.640 344 A CB -0.787 18.193 19.000 -0.034 0.000 0.811 344 A HN 0.534 nan 8.150 nan 0.000 0.451 345 A N -0.938 121.891 122.820 0.015 0.000 1.898 345 A HA 0.280 4.600 4.320 0.000 0.000 0.214 345 A C 2.359 179.978 177.584 0.059 0.000 1.183 345 A CA 1.512 53.574 52.037 0.041 0.000 0.622 345 A CB -1.126 17.932 19.000 0.096 0.000 0.824 345 A HN 0.704 nan 8.150 nan 0.000 0.444 346 G N -0.321 108.519 108.800 0.066 0.000 2.448 346 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 346 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 346 G C 1.696 176.612 174.900 0.026 0.000 1.135 346 G CA 0.905 46.048 45.100 0.072 0.000 0.784 346 G HN 0.569 nan 8.290 nan 0.000 0.543 347 R N 0.575 121.078 120.500 0.004 0.000 2.062 347 R HA 0.026 4.366 4.340 0.000 0.000 0.229 347 R C 2.136 178.359 176.300 -0.129 0.000 1.128 347 R CA 1.123 57.181 56.100 -0.072 0.000 0.960 347 R CB -0.288 30.002 30.300 -0.018 0.000 0.855 347 R HN 0.112 nan 8.270 nan 0.000 0.432 348 K N 0.739 121.134 120.400 -0.009 0.000 2.211 348 K HA -0.120 4.200 4.320 0.000 0.000 0.203 348 K C 2.089 178.699 176.600 0.017 0.000 1.050 348 K CA 0.669 56.989 56.287 0.054 0.000 0.945 348 K CB -0.219 32.324 32.500 0.071 0.000 0.732 348 K HN 0.188 nan 8.250 nan 0.000 0.451 349 L N 1.269 122.480 121.223 -0.020 0.000 2.027 349 L HA -0.073 4.267 4.340 0.000 0.000 0.206 349 L C 2.265 179.024 176.870 -0.185 0.000 1.074 349 L CA 1.748 56.541 54.840 -0.079 0.000 0.745 349 L CB -0.751 41.278 42.059 -0.050 0.000 0.898 349 L HN 0.098 nan 8.230 nan 0.000 0.433 350 A N -1.187 121.529 122.820 -0.173 0.000 1.883 350 A HA -0.276 4.045 4.320 0.000 0.000 0.217 350 A C 2.217 179.709 177.584 -0.153 0.000 1.186 350 A CA 1.923 53.853 52.037 -0.177 0.000 0.624 350 A CB -1.037 17.845 19.000 -0.196 0.000 0.822 350 A HN 0.666 nan 8.150 nan 0.000 0.444 351 H N -0.747 118.277 119.070 -0.077 0.000 2.352 351 H HA -0.081 4.476 4.556 0.000 0.000 0.299 351 H C 2.297 177.519 175.328 -0.175 0.000 1.097 351 H CA 1.577 57.571 56.048 -0.089 0.000 1.311 351 H CB -0.324 29.412 29.762 -0.044 0.000 1.377 351 H HN 0.379 nan 8.280 nan 0.000 0.504 352 R N 0.678 121.140 120.500 -0.062 0.000 2.103 352 R HA -0.126 4.214 4.340 0.000 0.000 0.234 352 R C 2.561 178.641 176.300 -0.367 0.000 1.132 352 R CA 1.286 57.287 56.100 -0.164 0.000 0.925 352 R CB -0.582 29.635 30.300 -0.139 0.000 0.842 352 R HN 0.269 nan 8.270 nan 0.000 0.430 353 L N -0.766 120.118 121.223 -0.564 0.000 1.973 353 L HA -0.161 4.179 4.340 0.000 0.000 0.208 353 L C 2.335 178.435 176.870 -1.284 0.000 1.073 353 L CA 1.521 55.757 54.840 -1.007 0.000 0.746 353 L CB -0.567 40.570 42.059 -1.537 0.000 0.891 353 L HN 0.135 nan 8.230 nan 0.000 0.433 354 F N -0.542 119.014 119.950 -0.657 0.000 2.743 354 F HA -0.014 4.514 4.527 0.000 0.000 0.297 354 F C 2.168 177.669 175.800 -0.499 0.000 1.131 354 F CA 0.425 58.071 58.000 -0.590 0.000 1.426 354 F CB -0.097 38.667 39.000 -0.394 0.000 1.116 354 F HN 0.137 nan 8.300 nan 0.000 0.583 355 E N -1.241 118.797 120.200 -0.270 0.000 2.538 355 E HA 0.018 4.368 4.350 0.000 0.000 0.207 355 E C -0.128 176.460 176.600 -0.020 0.000 1.002 355 E CA -0.031 56.349 56.400 -0.033 0.000 0.952 355 E CB -0.176 29.581 29.700 0.095 0.000 1.031 355 E HN 0.306 nan 8.360 nan 0.000 0.476 356 Y N -0.481 119.794 120.300 -0.042 0.000 4.079 356 Y HA -0.298 4.252 4.550 0.000 0.000 0.223 356 Y C -0.258 175.611 175.900 -0.052 0.000 1.155 356 Y CA 0.872 58.936 58.100 -0.060 0.000 1.805 356 Y CB -2.058 36.379 38.460 -0.039 0.000 1.571 356 Y HN 0.082 nan 8.280 nan 0.000 0.654 357 K N 1.646 122.034 120.400 -0.020 0.000 2.171 357 K HA 0.077 4.397 4.320 0.000 0.000 0.274 357 K C 0.936 177.513 176.600 -0.038 0.000 1.110 357 K CA -0.197 56.088 56.287 -0.004 0.000 0.952 357 K CB 0.275 32.775 32.500 -0.001 0.000 1.309 357 K HN 0.406 nan 8.250 nan 0.000 0.414 358 E N 1.282 121.457 120.200 -0.042 0.000 2.284 358 E HA -0.232 4.118 4.350 0.000 0.000 0.200 358 E C 0.368 176.866 176.600 -0.170 0.000 1.008 358 E CA 1.501 57.832 56.400 -0.115 0.000 0.829 358 E CB 0.115 29.770 29.700 -0.073 0.000 0.744 358 E HN 0.630 nan 8.360 nan 0.000 0.491 359 D N -0.700 119.696 120.400 -0.007 0.000 2.513 359 D HA -0.030 4.610 4.640 0.000 0.000 0.222 359 D C -0.189 176.261 176.300 0.250 0.000 1.210 359 D CA -0.244 53.863 54.000 0.179 0.000 0.825 359 D CB -0.061 40.842 40.800 0.172 0.000 1.037 359 D HN -0.109 nan 8.370 nan 0.000 0.506 360 S N 0.849 116.643 115.700 0.156 0.000 2.455 360 S HA 0.433 4.903 4.470 0.000 0.000 0.278 360 S C 0.020 174.763 174.600 0.238 0.000 1.216 360 S CA -0.690 57.602 58.200 0.155 0.000 1.055 360 S CB 0.452 63.726 63.200 0.123 0.000 0.939 360 S HN 0.421 nan 8.310 nan 0.000 0.494 361 K N 1.820 122.336 120.400 0.193 0.000 2.527 361 K HA 0.634 4.954 4.320 0.000 0.000 0.260 361 K C -1.245 175.364 176.600 0.015 0.000 0.937 361 K CA -1.192 55.178 56.287 0.138 0.000 0.826 361 K CB 1.084 33.594 32.500 0.016 0.000 1.359 361 K HN 0.414 nan 8.250 nan 0.000 0.434 362 L N 1.496 122.685 121.223 -0.056 0.000 2.397 362 L HA 0.335 4.675 4.340 0.000 0.000 0.271 362 L C -0.691 176.014 176.870 -0.275 0.000 1.148 362 L CA 0.398 55.114 54.840 -0.206 0.000 0.825 362 L CB 0.931 42.765 42.059 -0.376 0.000 1.117 362 L HN 0.784 nan 8.230 nan 0.000 0.456 363 D N 2.621 122.881 120.400 -0.234 0.000 2.313 363 D HA 0.104 4.745 4.640 0.000 0.000 0.239 363 D C -0.052 176.106 176.300 -0.238 0.000 1.142 363 D CA 0.136 54.047 54.000 -0.148 0.000 0.847 363 D CB 0.522 41.282 40.800 -0.067 0.000 1.082 363 D HN 0.512 nan 8.370 nan 0.000 0.480 364 Y N 2.051 122.341 120.300 -0.017 0.000 2.502 364 Y HA 0.131 4.681 4.550 0.000 0.000 0.295 364 Y C 0.369 176.262 175.900 -0.012 0.000 1.193 364 Y CA -0.137 57.953 58.100 -0.015 0.000 1.295 364 Y CB -0.240 38.206 38.460 -0.024 0.000 1.059 364 Y HN 0.269 nan 8.280 nan 0.000 0.514 365 N N -0.202 118.542 118.700 0.074 0.000 2.489 365 N HA 0.186 4.926 4.740 0.000 0.000 0.284 365 N C -0.452 175.077 175.510 0.031 0.000 1.158 365 N CA -0.653 52.431 53.050 0.057 0.000 0.965 365 N CB 0.407 38.925 38.487 0.051 0.000 1.195 365 N HN 0.083 nan 8.380 nan 0.000 0.506 366 N N -0.581 118.139 118.700 0.033 0.000 2.727 366 N HA -0.196 4.544 4.740 0.000 0.000 0.249 366 N C -1.171 174.347 175.510 0.015 0.000 1.048 366 N CA 0.125 53.191 53.050 0.026 0.000 0.714 366 N CB -1.139 37.366 38.487 0.030 0.000 0.959 366 N HN 0.459 nan 8.380 nan 0.000 0.544 367 I N 0.950 121.527 120.570 0.012 0.000 2.371 367 I HA 0.258 4.428 4.170 0.000 0.000 0.290 367 I C -1.880 174.237 176.117 0.001 0.000 1.028 367 I CA -1.729 59.572 61.300 0.002 0.000 1.345 367 I CB 0.852 38.861 38.000 0.014 0.000 1.407 367 I HN -0.103 nan 8.210 nan 0.000 0.501 368 P HA 0.295 nan 4.420 nan 0.000 0.286 368 P C -0.828 176.462 177.300 -0.017 0.000 1.261 368 P CA -0.475 62.626 63.100 0.001 0.000 0.821 368 P CB 1.455 33.160 31.700 0.009 0.000 1.013 369 T N 0.941 115.482 114.554 -0.021 0.000 2.993 369 T HA 0.505 4.856 4.350 0.000 0.000 0.312 369 T C -1.610 173.048 174.700 -0.070 0.000 1.115 369 T CA -0.514 61.555 62.100 -0.052 0.000 1.027 369 T CB 0.773 69.612 68.868 -0.049 0.000 1.116 369 T HN 0.050 nan 8.240 nan 0.000 0.464 370 V N 4.995 124.797 119.914 -0.187 0.000 2.588 370 V HA 0.629 4.749 4.120 0.000 0.000 0.304 370 V C -0.440 175.349 176.094 -0.509 0.000 1.042 370 V CA -0.650 61.429 62.300 -0.367 0.000 0.877 370 V CB 2.102 33.591 31.823 -0.556 0.000 0.996 370 V HN 0.832 nan 8.190 nan 0.000 0.425 371 V N 5.534 125.181 119.914 -0.444 0.000 2.370 371 V HA 0.402 4.522 4.120 0.000 0.000 0.283 371 V C -0.325 175.496 176.094 -0.454 0.000 1.023 371 V CA -0.376 61.733 62.300 -0.318 0.000 0.857 371 V CB 1.345 33.064 31.823 -0.173 0.000 0.985 371 V HN 0.739 nan 8.190 nan 0.000 0.443 372 F N 4.018 123.843 119.950 -0.208 0.000 2.659 372 F HA 0.241 4.768 4.527 0.000 0.000 0.360 372 F C 1.389 177.195 175.800 0.011 0.000 1.218 372 F CA -0.146 57.618 58.000 -0.393 0.000 1.317 372 F CB -0.129 38.221 39.000 -1.082 0.000 1.697 372 F HN 0.594 nan 8.300 nan 0.000 0.637 373 S N -0.557 115.231 115.700 0.146 0.000 2.647 373 S HA 0.469 4.939 4.470 0.000 0.000 0.284 373 S C -0.422 174.291 174.600 0.189 0.000 1.134 373 S CA -0.739 57.596 58.200 0.225 0.000 1.027 373 S CB 0.930 64.197 63.200 0.112 0.000 1.180 373 S HN 0.414 nan 8.310 nan 0.000 0.521 374 H N 1.377 120.552 119.070 0.176 0.000 2.970 374 H HA 0.429 4.985 4.556 0.000 0.000 0.315 374 H C -2.568 172.800 175.328 0.066 0.000 0.992 374 H CA -1.413 54.707 56.048 0.119 0.000 1.363 374 H CB 1.490 31.262 29.762 0.016 0.000 1.532 374 H HN 0.544 nan 8.280 nan 0.000 0.514 375 P HA 0.130 nan 4.420 nan 0.000 0.274 375 P C -2.724 174.642 177.300 0.109 0.000 1.256 375 P CA -1.660 61.526 63.100 0.143 0.000 0.795 375 P CB 0.568 32.340 31.700 0.119 0.000 1.038 376 P HA 0.254 nan 4.420 nan 0.000 0.275 376 P C -0.295 176.968 177.300 -0.062 0.000 1.228 376 P CA 0.160 63.260 63.100 -0.000 0.000 0.786 376 P CB 0.680 32.367 31.700 -0.022 0.000 0.927 377 I N 1.079 121.566 120.570 -0.138 0.000 2.498 377 I HA 0.637 4.808 4.170 0.000 0.000 0.301 377 I C 0.924 176.976 176.117 -0.107 0.000 0.984 377 I CA -0.287 60.959 61.300 -0.090 0.000 1.204 377 I CB 1.822 39.756 38.000 -0.111 0.000 1.362 377 I HN 0.385 nan 8.210 nan 0.000 0.471 378 G N 1.891 110.685 108.800 -0.010 0.000 2.731 378 G HA2 0.615 4.575 3.960 0.000 0.000 0.298 378 G HA3 0.615 4.575 3.960 0.000 0.000 0.298 378 G C -1.381 173.570 174.900 0.085 0.000 1.424 378 G CA -0.379 44.718 45.100 -0.004 0.000 1.029 378 G HN 0.525 nan 8.290 nan 0.000 0.518 379 T N -0.518 114.094 114.554 0.096 0.000 3.012 379 T HA 0.608 4.958 4.350 0.000 0.000 0.330 379 T C -1.755 172.983 174.700 0.062 0.000 1.321 379 T CA -0.361 61.817 62.100 0.132 0.000 1.067 379 T CB 1.779 70.826 68.868 0.297 0.000 1.235 379 T HN 1.399 nan 8.240 nan 0.000 0.479 380 V N 3.925 123.844 119.914 0.009 0.000 2.971 380 V HA 0.924 5.044 4.120 0.000 0.000 0.309 380 V C 0.390 176.468 176.094 -0.027 0.000 1.130 380 V CA 1.113 63.414 62.300 0.002 0.000 0.964 380 V CB 1.226 33.062 31.823 0.021 0.000 1.029 380 V HN 1.947 nan 8.190 nan 0.000 0.427 381 G N 3.983 112.789 108.800 0.011 0.000 2.681 381 G HA2 -0.136 3.824 3.960 0.000 0.000 0.220 381 G HA3 -0.136 3.824 3.960 0.000 0.000 0.220 381 G C -0.799 174.156 174.900 0.091 0.000 1.353 381 G CA -0.176 44.941 45.100 0.027 0.000 0.872 381 G HN 1.226 nan 8.290 nan 0.000 0.557 382 L N 1.146 122.438 121.223 0.115 0.000 2.418 382 L HA 0.547 4.887 4.340 0.000 0.000 0.265 382 L C 1.762 178.801 176.870 0.282 0.000 1.143 382 L CA -0.039 54.896 54.840 0.159 0.000 0.809 382 L CB 1.191 43.342 42.059 0.154 0.000 1.124 382 L HN 1.058 nan 8.230 nan 0.000 0.456 383 T N -2.535 112.107 114.554 0.147 0.000 2.816 383 T HA 0.092 4.442 4.350 0.000 0.000 0.282 383 T C 0.899 175.651 174.700 0.087 0.000 0.993 383 T CA -0.480 61.625 62.100 0.008 0.000 0.994 383 T CB 1.225 70.022 68.868 -0.119 0.000 1.025 383 T HN 0.760 nan 8.240 nan 0.000 0.529 384 E N 0.432 120.656 120.200 0.040 0.000 2.085 384 E HA -0.219 4.131 4.350 0.000 0.000 0.194 384 E C 1.358 177.997 176.600 0.065 0.000 0.994 384 E CA 1.973 58.413 56.400 0.068 0.000 0.801 384 E CB -0.299 29.423 29.700 0.036 0.000 0.743 384 E HN 0.825 nan 8.360 nan 0.000 0.453 385 D N 0.149 120.570 120.400 0.035 0.000 2.144 385 D HA -0.152 4.489 4.640 0.000 0.000 0.199 385 D C 1.691 178.033 176.300 0.069 0.000 0.984 385 D CA 1.304 55.328 54.000 0.039 0.000 0.834 385 D CB -0.016 40.786 40.800 0.003 0.000 0.955 385 D HN 0.321 nan 8.370 nan 0.000 0.465 386 E N 0.496 120.733 120.200 0.062 0.000 2.107 386 E HA -0.072 4.278 4.350 0.000 0.000 0.191 386 E C 2.155 178.819 176.600 0.108 0.000 0.982 386 E CA 0.767 57.215 56.400 0.079 0.000 0.809 386 E CB -0.069 29.663 29.700 0.054 0.000 0.756 386 E HN 0.258 nan 8.360 nan 0.000 0.459 387 A N 1.660 124.574 122.820 0.158 0.000 1.845 387 A HA -0.201 4.119 4.320 0.000 0.000 0.215 387 A C 2.218 179.957 177.584 0.260 0.000 1.195 387 A CA 1.174 53.387 52.037 0.293 0.000 0.616 387 A CB -0.734 18.421 19.000 0.257 0.000 0.832 387 A HN 0.129 nan 8.150 nan 0.000 0.443 388 I N -1.030 119.642 120.570 0.169 0.000 2.118 388 I HA -0.334 3.836 4.170 0.000 0.000 0.241 388 I C 2.573 178.740 176.117 0.082 0.000 1.070 388 I CA 2.017 63.392 61.300 0.125 0.000 1.327 388 I CB -0.616 37.440 38.000 0.093 0.000 1.034 388 I HN 0.574 nan 8.210 nan 0.000 0.405 389 H N 1.119 120.184 119.070 -0.010 0.000 2.543 389 H HA -0.156 4.400 4.556 0.000 0.000 0.286 389 H C 2.070 177.333 175.328 -0.108 0.000 1.037 389 H CA 1.340 57.360 56.048 -0.045 0.000 1.250 389 H CB 0.286 30.023 29.762 -0.043 0.000 1.373 389 H HN 0.327 nan 8.280 nan 0.000 0.580 390 K N -0.714 119.523 120.400 -0.272 0.000 2.287 390 K HA -0.026 4.294 4.320 0.000 0.000 0.199 390 K C 0.939 177.143 176.600 -0.661 0.000 1.061 390 K CA 0.295 56.258 56.287 -0.539 0.000 0.976 390 K CB 0.413 32.503 32.500 -0.683 0.000 0.898 390 K HN 0.135 nan 8.250 nan 0.000 0.492 391 Y N -0.386 119.884 120.300 -0.050 0.000 2.558 391 Y HA 0.339 4.889 4.550 0.000 0.000 0.273 391 Y C 0.676 176.554 175.900 -0.037 0.000 1.100 391 Y CA 0.346 58.424 58.100 -0.036 0.000 1.276 391 Y CB 1.130 39.580 38.460 -0.016 0.000 1.196 391 Y HN 0.144 nan 8.280 nan 0.000 0.527 392 G N 0.312 109.164 108.800 0.087 0.000 2.770 392 G HA2 -0.154 3.806 3.960 0.000 0.000 0.686 392 G HA3 -0.154 3.806 3.960 0.000 0.000 0.686 392 G C 0.379 175.319 174.900 0.067 0.000 1.180 392 G CA -0.378 44.750 45.100 0.047 0.000 0.767 392 G HN 0.179 nan 8.290 nan 0.000 0.646 393 I N 0.834 121.431 120.570 0.045 0.000 2.181 393 I HA -0.314 3.856 4.170 0.000 0.000 0.247 393 I C 2.593 178.726 176.117 0.028 0.000 1.081 393 I CA 2.430 63.752 61.300 0.037 0.000 1.340 393 I CB -0.363 37.651 38.000 0.023 0.000 1.036 393 I HN 0.746 nan 8.210 nan 0.000 0.417 394 E N 0.971 121.185 120.200 0.025 0.000 2.160 394 E HA -0.136 4.214 4.350 0.000 0.000 0.195 394 E C 0.714 177.323 176.600 0.015 0.000 0.991 394 E CA 1.029 57.438 56.400 0.015 0.000 0.810 394 E CB -0.414 29.294 29.700 0.014 0.000 0.742 394 E HN 0.553 nan 8.360 nan 0.000 0.466 395 N N 0.716 119.437 118.700 0.035 0.000 2.635 395 N HA 0.172 4.912 4.740 0.000 0.000 0.307 395 N C -1.210 174.297 175.510 -0.004 0.000 1.433 395 N CA 0.036 53.098 53.050 0.020 0.000 0.973 395 N CB 1.656 40.173 38.487 0.049 0.000 1.304 395 N HN -0.094 nan 8.380 nan 0.000 0.507 396 V N 0.921 120.831 119.914 -0.006 0.000 2.610 396 V HA 0.188 4.308 4.120 0.000 0.000 0.288 396 V C -0.457 175.615 176.094 -0.037 0.000 1.055 396 V CA -0.713 61.577 62.300 -0.017 0.000 0.902 396 V CB 2.650 34.503 31.823 0.049 0.000 1.030 396 V HN 0.059 nan 8.190 nan 0.000 0.448 397 K N 2.917 123.282 120.400 -0.058 0.000 2.244 397 K HA 0.737 5.057 4.320 0.000 0.000 0.260 397 K C -0.250 176.280 176.600 -0.118 0.000 0.951 397 K CA -0.272 55.945 56.287 -0.117 0.000 0.826 397 K CB 2.109 34.543 32.500 -0.111 0.000 1.108 397 K HN 0.821 nan 8.250 nan 0.000 0.433 398 T N 0.660 115.092 114.554 -0.202 0.000 2.824 398 T HA 0.520 4.870 4.350 0.000 0.000 0.282 398 T C -0.854 173.712 174.700 -0.224 0.000 0.993 398 T CA -0.645 61.394 62.100 -0.102 0.000 0.967 398 T CB 0.495 69.348 68.868 -0.025 0.000 0.960 398 T HN 0.293 nan 8.240 nan 0.000 0.441 399 Y N 1.438 121.718 120.300 -0.032 0.000 2.387 399 Y HA 0.680 5.230 4.550 0.000 0.000 0.336 399 Y C 0.693 176.590 175.900 -0.005 0.000 1.067 399 Y CA -0.586 57.499 58.100 -0.025 0.000 1.114 399 Y CB 2.353 40.784 38.460 -0.049 0.000 1.208 399 Y HN 0.874 nan 8.280 nan 0.000 0.458 400 S N 0.464 116.254 115.700 0.149 0.000 2.661 400 S HA 0.801 5.271 4.470 0.000 0.000 0.285 400 S C -0.889 173.787 174.600 0.127 0.000 1.138 400 S CA -0.933 57.338 58.200 0.118 0.000 0.855 400 S CB 2.426 65.674 63.200 0.080 0.000 1.136 400 S HN 0.574 nan 8.310 nan 0.000 0.484 401 T N 0.352 114.993 114.554 0.144 0.000 2.840 401 T HA 0.677 5.027 4.350 0.000 0.000 0.317 401 T C -1.949 172.885 174.700 0.223 0.000 1.401 401 T CA -0.356 61.855 62.100 0.185 0.000 1.028 401 T CB 1.697 70.686 68.868 0.202 0.000 1.317 401 T HN 0.534 nan 8.240 nan 0.000 0.495 402 S N 2.214 118.070 115.700 0.261 0.000 2.720 402 S HA 0.755 5.225 4.470 0.000 0.000 0.278 402 S C -1.473 173.308 174.600 0.301 0.000 1.172 402 S CA -0.705 57.613 58.200 0.197 0.000 1.019 402 S CB -0.008 63.254 63.200 0.104 0.000 1.049 402 S HN 0.617 nan 8.310 nan 0.000 0.483 403 F N 0.509 120.502 119.950 0.072 0.000 2.692 403 F HA 0.792 5.319 4.527 0.000 0.000 0.320 403 F C -0.496 175.363 175.800 0.098 0.000 1.123 403 F CA -0.981 57.067 58.000 0.081 0.000 0.961 403 F CB 0.940 39.992 39.000 0.086 0.000 1.383 403 F HN 0.206 nan 8.300 nan 0.000 0.483 404 T N 2.386 117.117 114.554 0.296 0.000 2.756 404 T HA 0.458 4.808 4.350 0.000 0.000 0.290 404 T C -2.656 172.257 174.700 0.354 0.000 0.985 404 T CA -1.096 61.127 62.100 0.206 0.000 0.955 404 T CB 0.978 69.954 68.868 0.181 0.000 0.930 404 T HN 0.316 nan 8.240 nan 0.000 0.451 405 P HA -0.004 nan 4.420 nan 0.000 0.264 405 P C 1.093 178.599 177.300 0.344 0.000 1.179 405 P CA 0.046 63.374 63.100 0.379 0.000 0.763 405 P CB 0.368 32.268 31.700 0.333 0.000 0.806 406 M N 1.804 121.572 119.600 0.279 0.000 2.686 406 M HA -0.074 4.406 4.480 0.000 0.000 0.246 406 M C 1.166 177.558 176.300 0.154 0.000 1.096 406 M CA 1.166 56.581 55.300 0.191 0.000 1.076 406 M CB -0.643 32.038 32.600 0.135 0.000 1.504 406 M HN 0.269 nan 8.290 nan 0.000 0.524 407 Y N 0.977 121.306 120.300 0.048 0.000 2.314 407 Y HA -0.126 4.424 4.550 0.000 0.000 0.293 407 Y C 1.760 177.628 175.900 -0.054 0.000 1.129 407 Y CA 1.653 59.731 58.100 -0.037 0.000 1.201 407 Y CB -0.206 38.133 38.460 -0.201 0.000 0.999 407 Y HN 0.394 nan 8.280 nan 0.000 0.541 408 H N -0.113 119.034 119.070 0.129 0.000 2.536 408 H HA 0.309 4.865 4.556 0.000 0.000 0.276 408 H C 1.954 177.272 175.328 -0.018 0.000 1.019 408 H CA 0.524 56.595 56.048 0.038 0.000 1.159 408 H CB -0.059 29.799 29.762 0.160 0.000 1.373 408 H HN 0.525 nan 8.280 nan 0.000 0.584 409 A N 1.007 123.855 122.820 0.048 0.000 2.121 409 A HA -0.043 4.277 4.320 0.000 0.000 0.218 409 A C 2.051 179.595 177.584 -0.066 0.000 1.154 409 A CA 1.433 53.480 52.037 0.016 0.000 0.679 409 A CB -0.201 18.811 19.000 0.019 0.000 0.795 409 A HN 0.291 nan 8.150 nan 0.000 0.458 410 V N -3.558 116.252 119.914 -0.173 0.000 3.330 410 V HA 0.251 4.371 4.120 0.000 0.000 0.309 410 V C 0.386 176.320 176.094 -0.266 0.000 1.481 410 V CA 0.450 62.591 62.300 -0.266 0.000 1.068 410 V CB -0.664 30.885 31.823 -0.457 0.000 0.935 410 V HN 0.413 nan 8.190 nan 0.000 0.453 411 T N -2.448 112.018 114.554 -0.146 0.000 2.859 411 T HA 0.532 4.882 4.350 0.000 0.000 0.281 411 T C 0.474 175.206 174.700 0.054 0.000 1.005 411 T CA -0.440 61.646 62.100 -0.023 0.000 1.025 411 T CB 2.438 71.373 68.868 0.112 0.000 0.977 411 T HN 0.165 nan 8.240 nan 0.000 0.458 412 K N 0.153 120.586 120.400 0.054 0.000 2.167 412 K HA 0.089 4.409 4.320 0.000 0.000 0.203 412 K C 1.441 178.078 176.600 0.060 0.000 1.052 412 K CA 0.372 56.684 56.287 0.043 0.000 0.956 412 K CB 0.120 32.639 32.500 0.031 0.000 0.735 412 K HN 0.393 nan 8.250 nan 0.000 0.451 413 R N 1.768 122.336 120.500 0.114 0.000 2.641 413 R HA 0.130 4.471 4.340 0.000 0.000 0.269 413 R C -0.774 175.568 176.300 0.069 0.000 1.074 413 R CA 0.571 56.742 56.100 0.119 0.000 1.133 413 R CB 0.642 31.082 30.300 0.234 0.000 1.029 413 R HN -0.137 nan 8.270 nan 0.000 0.488 414 K N 0.064 120.419 120.400 -0.076 0.000 2.542 414 K HA 0.295 4.615 4.320 0.000 0.000 0.259 414 K C -1.396 175.007 176.600 -0.327 0.000 0.932 414 K CA -0.492 55.591 56.287 -0.339 0.000 0.820 414 K CB 2.280 34.682 32.500 -0.163 0.000 1.345 414 K HN 0.772 nan 8.250 nan 0.000 0.432 415 T N -1.028 113.211 114.554 -0.526 0.000 2.883 415 T HA 0.706 5.056 4.350 0.000 0.000 0.301 415 T C -1.137 173.479 174.700 -0.139 0.000 1.158 415 T CA -1.005 60.984 62.100 -0.185 0.000 1.007 415 T CB 1.570 70.445 68.868 0.011 0.000 1.186 415 T HN 0.579 nan 8.240 nan 0.000 0.499 416 K N -0.364 119.996 120.400 -0.066 0.000 2.331 416 K HA 0.836 5.156 4.320 0.000 0.000 0.238 416 K C -1.271 175.249 176.600 -0.133 0.000 1.058 416 K CA -1.067 55.170 56.287 -0.084 0.000 0.871 416 K CB 1.827 34.287 32.500 -0.067 0.000 1.292 416 K HN 0.702 nan 8.250 nan 0.000 0.470 417 C N 1.573 120.686 119.300 -0.311 0.000 2.441 417 C HA 0.726 5.186 4.460 0.000 0.000 0.318 417 C C -0.933 173.849 174.990 -0.345 0.000 1.222 417 C CA -0.230 58.537 59.018 -0.419 0.000 1.474 417 C CB 0.531 27.746 27.740 -0.874 0.000 2.125 417 C HN 0.604 nan 8.230 nan 0.000 0.479 418 V N 5.328 125.162 119.914 -0.134 0.000 2.656 418 V HA 0.791 4.911 4.120 0.000 0.000 0.307 418 V C -0.815 175.310 176.094 0.052 0.000 1.051 418 V CA -0.604 61.688 62.300 -0.014 0.000 0.893 418 V CB 1.707 33.535 31.823 0.010 0.000 0.999 418 V HN 0.962 nan 8.190 nan 0.000 0.426 419 M N 4.592 124.259 119.600 0.112 0.000 2.393 419 M HA 0.623 5.103 4.480 0.000 0.000 0.299 419 M C -0.967 175.399 176.300 0.111 0.000 1.103 419 M CA -0.541 54.829 55.300 0.117 0.000 0.910 419 M CB 2.740 35.430 32.600 0.151 0.000 1.659 419 M HN 0.843 nan 8.290 nan 0.000 0.445 420 K N 3.761 124.224 120.400 0.105 0.000 2.507 420 K HA 0.611 4.931 4.320 0.000 0.000 0.251 420 K C -2.002 174.638 176.600 0.067 0.000 0.943 420 K CA -0.486 55.871 56.287 0.115 0.000 0.794 420 K CB 2.451 35.049 32.500 0.163 0.000 1.188 420 K HN 0.900 nan 8.250 nan 0.000 0.428 421 M N 5.449 125.077 119.600 0.047 0.000 2.167 421 M HA 0.281 4.762 4.480 0.000 0.000 0.333 421 M C -1.441 174.880 176.300 0.034 0.000 1.030 421 M CA -0.856 54.420 55.300 -0.040 0.000 0.963 421 M CB 1.429 33.968 32.600 -0.102 0.000 1.589 421 M HN 0.317 nan 8.290 nan 0.000 0.431 422 V N 5.165 125.076 119.914 -0.006 0.000 2.348 422 V HA 0.321 4.441 4.120 0.000 0.000 0.270 422 V C -0.374 175.704 176.094 -0.027 0.000 1.037 422 V CA -0.650 61.669 62.300 0.031 0.000 0.872 422 V CB 0.499 32.378 31.823 0.093 0.000 1.002 422 V HN 0.928 nan 8.190 nan 0.000 0.464 423 C N 4.491 123.781 119.300 -0.018 0.000 2.376 423 C HA 0.892 5.353 4.460 0.000 0.000 0.335 423 C C 0.731 175.634 174.990 -0.144 0.000 1.229 423 C CA -0.579 58.397 59.018 -0.069 0.000 1.867 423 C CB 0.861 28.608 27.740 0.011 0.000 2.319 423 C HN 0.988 nan 8.230 nan 0.000 0.515 424 A N 3.701 126.361 122.820 -0.266 0.000 2.350 424 A HA 0.816 5.136 4.320 0.000 0.000 0.324 424 A C -0.126 177.261 177.584 -0.327 0.000 1.118 424 A CA -0.330 51.413 52.037 -0.490 0.000 0.783 424 A CB 0.325 18.624 19.000 -1.168 0.000 1.236 424 A HN 1.146 nan 8.150 nan 0.000 0.457 425 N N -0.201 118.347 118.700 -0.254 0.000 6.750 425 N HA -0.212 4.528 4.740 0.000 0.000 0.412 425 N C 0.613 176.081 175.510 -0.070 0.000 0.937 425 N CA 0.997 53.976 53.050 -0.118 0.000 1.334 425 N CB -0.257 38.169 38.487 -0.100 0.000 0.815 425 N HN 0.805 nan 8.380 nan 0.000 0.330 426 K N 0.773 121.150 120.400 -0.039 0.000 2.217 426 K HA -0.082 4.239 4.320 0.000 0.000 0.202 426 K C 0.813 177.402 176.600 -0.018 0.000 1.051 426 K CA 1.534 57.809 56.287 -0.021 0.000 0.952 426 K CB 0.042 32.537 32.500 -0.010 0.000 0.736 426 K HN 0.371 nan 8.250 nan 0.000 0.453 427 E N 0.610 120.793 120.200 -0.027 0.000 2.371 427 E HA -0.042 4.309 4.350 0.000 0.000 0.194 427 E C -0.549 176.032 176.600 -0.031 0.000 1.012 427 E CA 0.323 56.709 56.400 -0.022 0.000 0.860 427 E CB 0.091 29.778 29.700 -0.021 0.000 0.811 427 E HN 0.193 nan 8.360 nan 0.000 0.502 428 E N 0.458 120.629 120.200 -0.049 0.000 2.298 428 E HA -0.223 4.127 4.350 0.000 0.000 0.235 428 E C -0.511 176.037 176.600 -0.087 0.000 1.167 428 E CA 0.208 56.574 56.400 -0.056 0.000 0.708 428 E CB -1.218 28.475 29.700 -0.012 0.000 1.236 428 E HN 0.228 nan 8.360 nan 0.000 0.386 429 K N 1.086 121.424 120.400 -0.104 0.000 2.453 429 K HA 0.072 4.392 4.320 0.000 0.000 0.280 429 K C 0.067 176.590 176.600 -0.128 0.000 1.045 429 K CA -0.003 56.226 56.287 -0.096 0.000 1.059 429 K CB 0.629 33.070 32.500 -0.098 0.000 0.901 429 K HN -0.012 nan 8.250 nan 0.000 0.475 430 V N 7.221 127.053 119.914 -0.137 0.000 2.377 430 V HA -0.057 4.063 4.120 0.000 0.000 0.254 430 V C 1.201 177.224 176.094 -0.118 0.000 1.060 430 V CA 0.094 62.271 62.300 -0.205 0.000 1.068 430 V CB 0.348 31.915 31.823 -0.427 0.000 1.113 430 V HN 0.744 nan 8.190 nan 0.000 0.484 431 V N 2.277 122.133 119.914 -0.097 0.000 3.506 431 V HA 0.543 4.663 4.120 0.000 0.000 0.263 431 V C 0.845 176.927 176.094 -0.020 0.000 1.203 431 V CA 0.877 63.160 62.300 -0.028 0.000 1.133 431 V CB -0.068 31.765 31.823 0.016 0.000 0.802 431 V HN 0.739 nan 8.190 nan 0.000 0.459 432 G N 0.175 108.921 108.800 -0.090 0.000 2.766 432 G HA2 0.672 4.632 3.960 0.000 0.000 0.297 432 G HA3 0.672 4.632 3.960 0.000 0.000 0.297 432 G C -1.465 173.179 174.900 -0.427 0.000 1.431 432 G CA -0.652 44.332 45.100 -0.194 0.000 1.042 432 G HN 0.184 nan 8.290 nan 0.000 0.542 433 I N 2.826 123.055 120.570 -0.568 0.000 2.447 433 I HA 0.415 4.585 4.170 0.000 0.000 0.287 433 I C -0.938 174.830 176.117 -0.581 0.000 1.023 433 I CA -0.912 60.106 61.300 -0.470 0.000 1.083 433 I CB 2.109 39.990 38.000 -0.199 0.000 1.245 433 I HN 0.411 nan 8.210 nan 0.000 0.434 434 H N 8.032 127.117 119.070 0.025 0.000 2.689 434 H HA 0.681 5.237 4.556 0.000 0.000 0.346 434 H C -0.753 174.605 175.328 0.049 0.000 1.037 434 H CA -0.703 55.377 56.048 0.053 0.000 1.234 434 H CB 2.185 31.984 29.762 0.062 0.000 1.572 434 H HN 0.613 nan 8.280 nan 0.000 0.524 435 M N 1.097 120.788 119.600 0.152 0.000 2.578 435 M HA 0.513 4.993 4.480 0.000 0.000 0.276 435 M C -1.750 174.591 176.300 0.069 0.000 1.245 435 M CA -0.908 54.452 55.300 0.099 0.000 0.871 435 M CB 3.743 36.395 32.600 0.087 0.000 1.722 435 M HN 0.433 nan 8.290 nan 0.000 0.473 436 Q N 0.920 120.742 119.800 0.036 0.000 2.284 436 Q HA 0.761 5.101 4.340 0.000 0.000 0.269 436 Q C -1.351 174.646 176.000 -0.005 0.000 1.026 436 Q CA -0.180 55.631 55.803 0.013 0.000 0.831 436 Q CB 2.770 31.509 28.738 0.002 0.000 1.322 436 Q HN 1.220 nan 8.270 nan 0.000 0.419 437 G N 1.762 110.572 108.800 0.017 0.000 2.320 437 G HA2 0.148 4.108 3.960 0.000 0.000 0.297 437 G HA3 0.148 4.108 3.960 0.000 0.000 0.297 437 G C -1.608 173.338 174.900 0.078 0.000 1.344 437 G CA -1.085 44.027 45.100 0.020 0.000 0.851 437 G HN 0.561 nan 8.290 nan 0.000 0.567 438 L N 1.457 122.742 121.223 0.103 0.000 2.534 438 L HA 0.357 4.697 4.340 0.000 0.000 0.271 438 L C 1.701 178.650 176.870 0.132 0.000 1.178 438 L CA 1.652 56.573 54.840 0.135 0.000 0.907 438 L CB 0.357 42.493 42.059 0.129 0.000 1.164 438 L HN 1.931 nan 8.230 nan 0.000 0.482 439 G N 1.807 110.697 108.800 0.150 0.000 2.195 439 G HA2 -0.273 3.687 3.960 0.000 0.000 0.246 439 G HA3 -0.273 3.687 3.960 0.000 0.000 0.246 439 G C 0.828 175.802 174.900 0.123 0.000 0.984 439 G CA 0.121 45.304 45.100 0.140 0.000 0.633 439 G HN 0.689 nan 8.290 nan 0.000 0.525 440 C N 2.094 121.457 119.300 0.105 0.000 2.422 440 C HA 0.039 4.499 4.460 0.000 0.000 0.286 440 C C 2.666 177.670 174.990 0.024 0.000 1.412 440 C CA 1.377 60.440 59.018 0.075 0.000 1.786 440 C CB -0.838 26.932 27.740 0.050 0.000 1.835 440 C HN 0.770 nan 8.230 nan 0.000 0.533 441 D N 0.855 121.263 120.400 0.014 0.000 2.103 441 D HA -0.126 4.514 4.640 0.000 0.000 0.199 441 D C 1.651 177.966 176.300 0.025 0.000 0.978 441 D CA 1.295 55.266 54.000 -0.049 0.000 0.829 441 D CB -0.576 40.236 40.800 0.020 0.000 0.981 441 D HN 0.341 nan 8.370 nan 0.000 0.464 442 E N -0.116 120.127 120.200 0.070 0.000 2.318 442 E HA 0.049 4.399 4.350 0.000 0.000 0.193 442 E C 2.046 178.669 176.600 0.040 0.000 0.998 442 E CA -0.034 56.401 56.400 0.058 0.000 0.859 442 E CB -0.167 29.574 29.700 0.069 0.000 0.812 442 E HN 0.399 nan 8.360 nan 0.000 0.492 443 M N 0.209 119.850 119.600 0.067 0.000 2.229 443 M HA -0.117 4.363 4.480 0.000 0.000 0.264 443 M C 1.940 178.303 176.300 0.105 0.000 1.063 443 M CA 0.827 56.182 55.300 0.092 0.000 1.114 443 M CB 0.088 32.790 32.600 0.171 0.000 1.387 443 M HN 0.114 nan 8.290 nan 0.000 0.420 444 L N 0.871 122.155 121.223 0.102 0.000 2.017 444 L HA -0.223 4.117 4.340 0.000 0.000 0.208 444 L C 2.377 179.293 176.870 0.076 0.000 1.073 444 L CA 2.030 56.947 54.840 0.128 0.000 0.745 444 L CB -0.938 41.166 42.059 0.074 0.000 0.894 444 L HN 0.374 nan 8.230 nan 0.000 0.432 445 Q N -0.431 119.376 119.800 0.012 0.000 2.156 445 Q HA -0.209 4.131 4.340 0.000 0.000 0.211 445 Q C 2.042 178.012 176.000 -0.050 0.000 0.995 445 Q CA 2.408 58.202 55.803 -0.014 0.000 0.877 445 Q CB -0.959 27.764 28.738 -0.025 0.000 0.920 445 Q HN 0.589 nan 8.270 nan 0.000 0.416 446 G N -1.299 107.414 108.800 -0.145 0.000 2.414 446 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 446 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 446 G C 0.952 175.739 174.900 -0.188 0.000 1.188 446 G CA 0.694 45.648 45.100 -0.242 0.000 0.783 446 G HN 0.401 nan 8.290 nan 0.000 0.537 447 F N 1.989 121.937 119.950 -0.004 0.000 2.333 447 F HA 0.074 4.601 4.527 0.000 0.000 0.300 447 F C 2.915 178.761 175.800 0.076 0.000 1.083 447 F CA 0.382 58.411 58.000 0.048 0.000 1.395 447 F CB -0.490 38.596 39.000 0.144 0.000 1.056 447 F HN 0.250 nan 8.300 nan 0.000 0.529 448 A N -0.200 122.729 122.820 0.182 0.000 1.930 448 A HA -0.075 4.245 4.320 0.000 0.000 0.217 448 A C 2.392 180.024 177.584 0.079 0.000 1.175 448 A CA 1.633 53.738 52.037 0.114 0.000 0.627 448 A CB -1.090 17.949 19.000 0.065 0.000 0.815 448 A HN 0.163 nan 8.150 nan 0.000 0.443 449 V N -0.108 119.831 119.914 0.042 0.000 2.295 449 V HA -0.231 3.889 4.120 0.000 0.000 0.246 449 V C 3.051 179.168 176.094 0.039 0.000 1.049 449 V CA 1.946 64.256 62.300 0.016 0.000 1.024 449 V CB -1.244 30.563 31.823 -0.027 0.000 0.648 449 V HN 0.597 nan 8.190 nan 0.000 0.447 450 A N -0.268 122.587 122.820 0.059 0.000 1.898 450 A HA -0.144 4.176 4.320 0.000 0.000 0.216 450 A C 2.367 180.056 177.584 0.174 0.000 1.181 450 A CA 1.931 54.023 52.037 0.090 0.000 0.620 450 A CB -0.693 18.333 19.000 0.043 0.000 0.819 450 A HN 0.328 nan 8.150 nan 0.000 0.442 451 V N 0.163 120.207 119.914 0.218 0.000 2.490 451 V HA -0.214 3.906 4.120 0.000 0.000 0.250 451 V C 2.546 178.700 176.094 0.100 0.000 1.061 451 V CA 2.385 64.790 62.300 0.174 0.000 1.064 451 V CB -0.543 31.366 31.823 0.144 0.000 0.670 451 V HN 0.621 nan 8.190 nan 0.000 0.461 452 K N 0.024 120.471 120.400 0.078 0.000 2.167 452 K HA 0.007 4.327 4.320 0.000 0.000 0.203 452 K C 1.957 178.583 176.600 0.043 0.000 1.052 452 K CA 1.426 57.742 56.287 0.048 0.000 0.956 452 K CB -0.311 32.208 32.500 0.031 0.000 0.735 452 K HN 0.352 nan 8.250 nan 0.000 0.451 453 M N -1.213 118.416 119.600 0.047 0.000 2.394 453 M HA 0.041 4.522 4.480 0.000 0.000 0.264 453 M C 0.589 176.917 176.300 0.046 0.000 1.073 453 M CA 1.380 56.703 55.300 0.038 0.000 1.111 453 M CB 0.327 32.946 32.600 0.032 0.000 1.401 453 M HN 0.462 nan 8.290 nan 0.000 0.448 454 G N -0.081 108.757 108.800 0.063 0.000 2.148 454 G HA2 -0.084 3.877 3.960 0.000 0.000 0.157 454 G HA3 -0.084 3.877 3.960 0.000 0.000 0.157 454 G C 0.103 175.048 174.900 0.075 0.000 1.012 454 G CA -0.225 44.910 45.100 0.058 0.000 0.677 454 G HN 0.699 nan 8.290 nan 0.000 0.506 455 A N 0.382 123.279 122.820 0.129 0.000 2.586 455 A HA 0.566 4.887 4.320 0.000 0.000 0.231 455 A C 1.105 178.772 177.584 0.138 0.000 1.055 455 A CA 1.670 53.828 52.037 0.201 0.000 0.756 455 A CB 0.097 19.359 19.000 0.437 0.000 0.988 455 A HN 1.836 nan 8.150 nan 0.000 0.509 456 T N -0.486 114.143 114.554 0.125 0.000 2.927 456 T HA 0.452 4.803 4.350 0.000 0.000 0.286 456 T C 1.009 175.725 174.700 0.026 0.000 1.040 456 T CA -0.666 61.449 62.100 0.025 0.000 1.010 456 T CB 1.401 70.281 68.868 0.019 0.000 1.177 456 T HN 0.573 nan 8.240 nan 0.000 0.546 457 K N 0.092 120.436 120.400 -0.093 0.000 2.097 457 K HA -0.092 4.228 4.320 0.000 0.000 0.206 457 K C 2.382 178.976 176.600 -0.009 0.000 1.049 457 K CA 1.319 57.514 56.287 -0.154 0.000 0.933 457 K CB -0.809 31.553 32.500 -0.231 0.000 0.717 457 K HN 0.727 nan 8.250 nan 0.000 0.442 458 A N 1.890 124.716 122.820 0.010 0.000 1.908 458 A HA -0.213 4.107 4.320 0.000 0.000 0.218 458 A C 1.620 179.249 177.584 0.075 0.000 1.181 458 A CA 2.114 54.168 52.037 0.028 0.000 0.627 458 A CB -0.502 18.509 19.000 0.018 0.000 0.818 458 A HN 0.320 nan 8.150 nan 0.000 0.445 459 D N -0.868 119.606 120.400 0.124 0.000 2.144 459 D HA -0.123 4.517 4.640 0.000 0.000 0.199 459 D C 1.537 177.923 176.300 0.142 0.000 0.984 459 D CA 1.078 55.153 54.000 0.125 0.000 0.834 459 D CB -0.454 40.435 40.800 0.148 0.000 0.955 459 D HN 0.464 nan 8.370 nan 0.000 0.465 460 F N 1.411 121.351 119.950 -0.016 0.000 2.146 460 F HA -0.085 4.442 4.527 0.000 0.000 0.298 460 F C 1.979 177.766 175.800 -0.023 0.000 1.096 460 F CA 0.912 58.907 58.000 -0.008 0.000 1.275 460 F CB -0.279 38.680 39.000 -0.068 0.000 1.008 460 F HN -0.118 nan 8.300 nan 0.000 0.480 461 D N -0.805 119.681 120.400 0.143 0.000 2.347 461 D HA -0.074 4.566 4.640 0.000 0.000 0.215 461 D C 0.899 177.217 176.300 0.029 0.000 0.976 461 D CA 0.618 54.648 54.000 0.049 0.000 0.884 461 D CB -0.368 40.431 40.800 -0.003 0.000 0.915 461 D HN 0.215 nan 8.370 nan 0.000 0.526 462 N N 0.151 118.871 118.700 0.033 0.000 2.320 462 N HA 0.048 4.788 4.740 0.000 0.000 0.237 462 N C -0.672 174.838 175.510 0.001 0.000 1.129 462 N CA 0.157 53.215 53.050 0.013 0.000 0.854 462 N CB 0.846 39.340 38.487 0.012 0.000 1.083 462 N HN -0.094 nan 8.380 nan 0.000 0.504 463 T N 0.254 114.808 114.554 0.001 0.000 2.786 463 T HA 0.296 4.646 4.350 0.000 0.000 0.283 463 T C 0.364 175.064 174.700 0.000 0.000 0.992 463 T CA -0.380 61.712 62.100 -0.014 0.000 0.954 463 T CB 2.282 71.127 68.868 -0.038 0.000 0.934 463 T HN -0.249 nan 8.240 nan 0.000 0.440 464 V N 3.427 123.339 119.914 -0.004 0.000 2.673 464 V HA 0.354 4.475 4.120 0.000 0.000 0.303 464 V C 0.943 177.045 176.094 0.013 0.000 1.046 464 V CA -0.173 62.128 62.300 0.002 0.000 1.126 464 V CB 0.426 32.248 31.823 -0.001 0.000 0.934 464 V HN 1.071 nan 8.190 nan 0.000 0.487 465 A N 6.090 128.923 122.820 0.021 0.000 2.287 465 A HA 0.715 5.035 4.320 0.000 0.000 0.273 465 A C -0.328 177.289 177.584 0.056 0.000 1.091 465 A CA -0.496 51.566 52.037 0.043 0.000 0.817 465 A CB 0.284 19.308 19.000 0.040 0.000 1.069 465 A HN 0.745 nan 8.150 nan 0.000 0.492 466 I N 1.118 121.733 120.570 0.076 0.000 2.359 466 I HA 0.239 4.409 4.170 0.000 0.000 0.284 466 I C -0.449 175.746 176.117 0.129 0.000 1.018 466 I CA -0.028 61.320 61.300 0.080 0.000 1.173 466 I CB 0.946 38.976 38.000 0.050 0.000 1.326 466 I HN 0.747 nan 8.210 nan 0.000 0.462 467 H N 7.582 126.663 119.070 0.017 0.000 2.466 467 H HA 0.639 5.196 4.556 0.000 0.000 0.338 467 H C -2.508 172.833 175.328 0.022 0.000 1.091 467 H CA -1.884 54.174 56.048 0.018 0.000 1.207 467 H CB 1.429 31.196 29.762 0.008 0.000 1.466 467 H HN 0.298 nan 8.280 nan 0.000 0.493 468 P HA 0.378 nan 4.420 nan 0.000 0.300 468 P C -1.379 175.888 177.300 -0.055 0.000 1.326 468 P CA -0.673 62.196 63.100 -0.386 0.000 0.844 468 P CB 1.733 33.099 31.700 -0.556 0.000 0.992 469 T N -2.419 112.171 114.554 0.060 0.000 2.821 469 T HA 0.341 4.691 4.350 0.000 0.000 0.306 469 T C 0.569 175.368 174.700 0.165 0.000 1.313 469 T CA -0.543 61.621 62.100 0.105 0.000 1.012 469 T CB 1.070 69.999 68.868 0.101 0.000 1.298 469 T HN -0.035 nan 8.240 nan 0.000 0.502 470 S N 0.510 116.350 115.700 0.233 0.000 2.436 470 S HA -0.022 4.448 4.470 0.000 0.000 0.228 470 S C 2.237 177.029 174.600 0.321 0.000 1.014 470 S CA 1.119 59.547 58.200 0.380 0.000 0.950 470 S CB -0.452 62.989 63.200 0.402 0.000 0.784 470 S HN 0.925 nan 8.310 nan 0.000 0.504 471 S N 2.385 118.237 115.700 0.255 0.000 2.447 471 S HA -0.157 4.313 4.470 0.000 0.000 0.233 471 S C 1.677 176.436 174.600 0.265 0.000 1.006 471 S CA 1.022 59.399 58.200 0.295 0.000 0.957 471 S CB -0.548 62.812 63.200 0.267 0.000 0.773 471 S HN 0.805 nan 8.310 nan 0.000 0.507 472 E N 1.358 121.663 120.200 0.175 0.000 2.204 472 E HA -0.152 4.198 4.350 0.000 0.000 0.194 472 E C 1.416 178.057 176.600 0.068 0.000 0.989 472 E CA 0.982 57.456 56.400 0.125 0.000 0.824 472 E CB -0.332 29.431 29.700 0.105 0.000 0.756 472 E HN 0.397 nan 8.360 nan 0.000 0.477 473 E N 0.880 121.095 120.200 0.025 0.000 2.333 473 E HA -0.075 4.275 4.350 0.000 0.000 0.198 473 E C 2.043 178.650 176.600 0.011 0.000 1.007 473 E CA 0.472 56.840 56.400 -0.053 0.000 0.845 473 E CB -0.057 29.529 29.700 -0.190 0.000 0.766 473 E HN 0.445 nan 8.360 nan 0.000 0.507 474 L N 0.524 121.771 121.223 0.039 0.000 2.179 474 L HA -0.062 4.278 4.340 0.000 0.000 0.208 474 L C 2.089 178.956 176.870 -0.005 0.000 1.096 474 L CA 0.708 55.509 54.840 -0.065 0.000 0.779 474 L CB 0.071 41.932 42.059 -0.330 0.000 0.922 474 L HN 0.037 nan 8.230 nan 0.000 0.443 475 V N -4.367 115.597 119.914 0.083 0.000 3.649 475 V HA 0.051 4.171 4.120 0.000 0.000 0.275 475 V C 1.335 177.454 176.094 0.041 0.000 1.281 475 V CA 0.932 63.305 62.300 0.121 0.000 1.143 475 V CB -0.603 31.306 31.823 0.142 0.000 0.892 475 V HN 0.497 nan 8.190 nan 0.000 0.441 476 T N -2.229 112.324 114.554 -0.002 0.000 3.339 476 T HA 0.453 4.803 4.350 0.000 0.000 0.292 476 T C 0.130 174.799 174.700 -0.052 0.000 1.012 476 T CA -0.329 61.752 62.100 -0.032 0.000 0.937 476 T CB -0.371 68.474 68.868 -0.038 0.000 1.164 476 T HN 0.322 nan 8.240 nan 0.000 0.509 477 L N 1.550 122.725 121.223 -0.081 0.000 2.467 477 L HA 0.550 4.891 4.340 0.000 0.000 0.270 477 L C 0.879 177.694 176.870 -0.093 0.000 1.205 477 L CA -0.300 54.494 54.840 -0.077 0.000 0.828 477 L CB 0.553 42.539 42.059 -0.122 0.000 1.101 477 L HN 0.290 nan 8.230 nan 0.000 0.479 478 R N 0.000 120.534 120.500 0.056 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.180 56.100 0.133 0.000 0.921 478 R CB 0.000 30.332 30.300 0.053 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535