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 3m49_1_A DATA FIRST_RESID 2 DATA SEQUENCE SHSIEQLSIN TIRTLSIDAI EKANSGHPGX PXGAAPXAYT LWTQFXKHNP DATA SEQUENCE NNPTWFNRDR FVLSAGHGSX LLYSLLHLSG YDVTXDDLKN FRQWGSKTPG DATA SEQUENCE HPEYGHTAGV DATTGPLGQG IATAVGXAXA ERHLAAKYNR DAYNIVDHYT DATA SEQUENCE YAICGDGDLX EGVSAEASSL AAHLQLGRLV VLYDSNDISL DGDLNRSFSE DATA SEQUENCE SVEDRYKAYG WQVIRVEDGN DIEAIAKAIE EAKADEKRPT LIEVRTTIGF DATA SEQUENCE GSPNKSGKSA SHGSPLGVEE TKLTKEAYAW TAEQDFHVAE EVYENFRKTV DATA SEQUENCE QDVGETAQAE WNTXLGEYAQ AYPELANELQ AAXNGLLPEG WEQNLPTYEL DATA SEQUENCE GSKAATRNSS GAVINAIAES VPSFFGGSAD LAGSNKTYXN NEKDFTRDDY DATA SEQUENCE SGKNIWYGVR EFAXGAAXNG IALHGGLKTY GGTFFVFSDY LRPAIRLAAL DATA SEQUENCE XQLPVTYVFT HDSIAVGEDG PTHEPIEQLA ALRAXPNVSV IRPADGNESV DATA SEQUENCE AAWRLALEST NKPTALVLTR QDLPTLEGAK DDTYEKVAKG AYVVSASKKE DATA SEQUENCE TADVILLATG SEVSLAVEAQ KALAVDGVDA SVVSXPSXDR FEAQTAEYKE DATA SEQUENCE SVLPKAVTKR FAIEXGATFG WHRYVGLEGD VLGIDTFGAS APGEKIXEEY DATA SEQUENCE GFTVENVVRK VKEXL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.003 0.000 1.055 2 S CA 0.000 58.134 58.200 -0.109 0.000 1.107 2 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 3 H N 1.430 120.504 119.070 0.007 0.000 2.520 3 H HA 0.288 4.844 4.556 0.000 0.000 0.284 3 H C 1.036 176.361 175.328 -0.005 0.000 1.037 3 H CA 0.128 56.178 56.048 0.003 0.000 1.168 3 H CB 0.437 30.200 29.762 0.002 0.000 1.497 3 H HN 0.624 nan 8.280 nan 0.000 0.547 4 S N 0.253 116.001 115.700 0.081 0.000 2.593 4 S HA -0.022 4.448 4.470 -0.000 0.000 0.269 4 S C 1.423 176.034 174.600 0.018 0.000 1.334 4 S CA -0.625 57.597 58.200 0.037 0.000 1.015 4 S CB 1.262 64.466 63.200 0.006 0.000 0.912 4 S HN 0.211 nan 8.310 nan 0.000 0.541 5 I N 1.290 121.866 120.570 0.010 0.000 2.361 5 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 5 I C 2.034 178.116 176.117 -0.059 0.000 1.133 5 I CA 1.546 62.844 61.300 -0.002 0.000 1.413 5 I CB -0.894 37.114 38.000 0.013 0.000 1.073 5 I HN 0.832 nan 8.210 nan 0.000 0.424 6 E N -0.109 120.045 120.200 -0.075 0.000 2.051 6 E HA -0.287 4.063 4.350 -0.000 0.000 0.192 6 E C 2.138 178.524 176.600 -0.356 0.000 0.991 6 E CA 1.455 57.719 56.400 -0.227 0.000 0.799 6 E CB -0.361 29.298 29.700 -0.069 0.000 0.748 6 E HN 0.485 nan 8.360 nan 0.000 0.449 7 Q N 0.173 119.870 119.800 -0.173 0.000 2.119 7 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 7 Q C 1.962 177.902 176.000 -0.100 0.000 0.972 7 Q CA 0.910 56.630 55.803 -0.138 0.000 0.847 7 Q CB -0.270 28.440 28.738 -0.045 0.000 0.903 7 Q HN 0.312 nan 8.270 nan 0.000 0.433 8 L N -0.319 120.880 121.223 -0.041 0.000 2.017 8 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 8 L C 2.089 178.986 176.870 0.044 0.000 1.073 8 L CA 2.005 56.874 54.840 0.049 0.000 0.745 8 L CB -0.961 41.130 42.059 0.053 0.000 0.894 8 L HN 0.122 nan 8.230 nan 0.000 0.432 9 S N -0.294 115.369 115.700 -0.062 0.000 2.370 9 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 9 S C 1.981 176.523 174.600 -0.096 0.000 1.033 9 S CA 1.866 60.058 58.200 -0.013 0.000 1.011 9 S CB -0.463 62.667 63.200 -0.116 0.000 0.852 9 S HN 0.475 nan 8.310 nan 0.000 0.457 10 I N 1.927 122.294 120.570 -0.339 0.000 2.226 10 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 10 I C 1.879 177.858 176.117 -0.230 0.000 1.100 10 I CA 0.961 62.083 61.300 -0.297 0.000 1.374 10 I CB -0.352 37.434 38.000 -0.356 0.000 1.057 10 I HN 0.225 nan 8.210 nan 0.000 0.413 11 N N 0.062 118.636 118.700 -0.210 0.000 2.396 11 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 11 N C 1.741 177.038 175.510 -0.355 0.000 1.028 11 N CA 1.231 54.085 53.050 -0.326 0.000 0.893 11 N CB -0.401 37.992 38.487 -0.158 0.000 0.967 11 N HN 0.307 nan 8.380 nan 0.000 0.440 12 T N 1.197 115.697 114.554 -0.090 0.000 2.857 12 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 12 T C 2.069 176.661 174.700 -0.180 0.000 1.048 12 T CA 0.407 62.461 62.100 -0.077 0.000 1.139 12 T CB -0.010 68.955 68.868 0.162 0.000 0.874 12 T HN 0.157 nan 8.240 nan 0.000 0.455 13 I N 0.866 121.357 120.570 -0.132 0.000 2.163 13 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 13 I C 2.785 178.778 176.117 -0.206 0.000 1.085 13 I CA 1.423 62.638 61.300 -0.143 0.000 1.347 13 I CB -0.283 37.663 38.000 -0.091 0.000 1.044 13 I HN 0.152 nan 8.210 nan 0.000 0.408 14 R N 0.309 120.652 120.500 -0.261 0.000 2.070 14 R HA -0.160 4.180 4.340 -0.000 0.000 0.233 14 R C 2.456 178.591 176.300 -0.275 0.000 1.137 14 R CA 2.248 58.197 56.100 -0.252 0.000 0.945 14 R CB -0.958 29.131 30.300 -0.351 0.000 0.845 14 R HN 0.501 nan 8.270 nan 0.000 0.430 15 T N -0.191 114.087 114.554 -0.460 0.000 2.833 15 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 15 T C 2.025 176.474 174.700 -0.418 0.000 1.054 15 T CA 0.901 62.672 62.100 -0.549 0.000 1.135 15 T CB -0.312 67.851 68.868 -1.176 0.000 0.869 15 T HN 0.098 nan 8.240 nan 0.000 0.466 16 L N 0.924 121.951 121.223 -0.327 0.000 2.046 16 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 16 L C 3.181 179.904 176.870 -0.244 0.000 1.077 16 L CA 1.359 56.059 54.840 -0.234 0.000 0.747 16 L CB -0.621 41.377 42.059 -0.102 0.000 0.896 16 L HN 0.312 nan 8.230 nan 0.000 0.432 17 S N 0.139 115.702 115.700 -0.227 0.000 2.356 17 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 17 S C 1.939 176.406 174.600 -0.222 0.000 1.032 17 S CA 1.339 59.400 58.200 -0.231 0.000 1.005 17 S CB -0.300 62.781 63.200 -0.199 0.000 0.867 17 S HN 0.268 nan 8.310 nan 0.000 0.449 18 I N 1.826 122.273 120.570 -0.206 0.000 2.163 18 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 18 I C 2.058 178.044 176.117 -0.219 0.000 1.085 18 I CA 1.316 62.510 61.300 -0.177 0.000 1.347 18 I CB -0.438 37.464 38.000 -0.163 0.000 1.044 18 I HN 0.168 nan 8.210 nan 0.000 0.408 19 D N 0.866 121.047 120.400 -0.365 0.000 2.144 19 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 19 D C 2.222 178.268 176.300 -0.424 0.000 0.984 19 D CA 1.479 55.146 54.000 -0.556 0.000 0.834 19 D CB -0.173 39.978 40.800 -1.082 0.000 0.955 19 D HN 0.359 nan 8.370 nan 0.000 0.465 20 A N 0.390 123.065 122.820 -0.243 0.000 1.930 20 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 20 A C 2.325 180.027 177.584 0.198 0.000 1.175 20 A CA 0.742 52.877 52.037 0.164 0.000 0.627 20 A CB -0.558 18.461 19.000 0.032 0.000 0.815 20 A HN 0.190 nan 8.150 nan 0.000 0.443 21 I N -0.509 120.097 120.570 0.059 0.000 2.286 21 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 21 I C 2.418 178.606 176.117 0.118 0.000 1.104 21 I CA 0.961 62.360 61.300 0.165 0.000 1.397 21 I CB -0.294 37.746 38.000 0.067 0.000 1.072 21 I HN 0.275 nan 8.210 nan 0.000 0.417 22 E N 1.053 121.275 120.200 0.037 0.000 2.058 22 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 22 E C 2.084 178.735 176.600 0.086 0.000 0.997 22 E CA 1.376 57.794 56.400 0.030 0.000 0.801 22 E CB -0.290 29.395 29.700 -0.025 0.000 0.746 22 E HN 0.443 nan 8.360 nan 0.000 0.450 23 K N 0.482 120.972 120.400 0.150 0.000 2.057 23 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 23 K C 2.054 178.756 176.600 0.169 0.000 1.050 23 K CA 1.100 57.507 56.287 0.200 0.000 0.935 23 K CB -0.064 32.649 32.500 0.354 0.000 0.715 23 K HN 0.053 nan 8.250 nan 0.000 0.439 24 A N 1.295 124.240 122.820 0.208 0.000 2.067 24 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 24 A C 0.868 178.507 177.584 0.091 0.000 1.158 24 A CA 1.322 53.451 52.037 0.154 0.000 0.661 24 A CB -0.594 18.529 19.000 0.205 0.000 0.801 24 A HN 0.710 nan 8.150 nan 0.000 0.452 25 N N -1.393 117.362 118.700 0.092 0.000 2.721 25 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 25 N C -0.394 175.136 175.510 0.034 0.000 1.072 25 N CA 1.121 54.202 53.050 0.052 0.000 0.710 25 N CB -1.421 37.088 38.487 0.036 0.000 0.993 25 N HN 0.594 nan 8.380 nan 0.000 0.547 26 S N -1.493 114.238 115.700 0.052 0.000 2.556 26 S HA 0.707 5.177 4.470 -0.000 0.000 0.280 26 S C -0.285 174.360 174.600 0.075 0.000 1.141 26 S CA 0.581 58.787 58.200 0.011 0.000 0.883 26 S CB 1.090 64.273 63.200 -0.029 0.000 1.103 26 S HN 1.325 nan 8.310 nan 0.000 0.453 27 G N 2.801 111.594 108.800 -0.012 0.000 2.334 27 G HA2 0.239 4.199 3.960 -0.000 0.000 0.315 27 G HA3 0.239 4.199 3.960 -0.000 0.000 0.315 27 G C -2.083 172.712 174.900 -0.176 0.000 1.284 27 G CA -0.801 44.367 45.100 0.113 0.000 0.985 27 G HN 0.962 nan 8.290 nan 0.000 0.504 28 H N 1.185 120.293 119.070 0.064 0.000 2.866 28 H HA 0.507 5.063 4.556 -0.000 0.000 0.287 28 H C -1.683 173.618 175.328 -0.045 0.000 1.106 28 H CA -1.237 54.782 56.048 -0.048 0.000 1.396 28 H CB 2.166 31.886 29.762 -0.070 0.000 1.469 28 H HN 0.339 nan 8.280 nan 0.000 0.500 29 P HA 0.062 nan 4.420 nan 0.000 0.234 29 P C 1.108 178.420 177.300 0.019 0.000 1.175 29 P CA 0.307 63.407 63.100 0.000 0.000 0.801 29 P CB 0.641 32.328 31.700 -0.022 0.000 0.891 35 A N 0.944 123.762 122.820 -0.003 0.000 2.267 35 A HA 0.732 5.052 4.320 -0.000 0.000 0.213 35 A C 2.399 179.969 177.584 -0.024 0.000 1.192 35 A CA 1.614 53.642 52.037 -0.014 0.000 0.851 35 A CB -0.254 18.747 19.000 0.001 0.000 0.881 35 A HN 1.208 nan 8.150 nan 0.000 0.494 36 A N 0.931 123.726 122.820 -0.042 0.000 1.917 36 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 36 A C -0.853 176.726 177.584 -0.008 0.000 1.182 36 A CA 1.156 53.165 52.037 -0.047 0.000 0.633 36 A CB -1.453 17.491 19.000 -0.093 0.000 0.819 36 A HN 0.449 nan 8.150 nan 0.000 0.448 40 Y N 2.403 122.708 120.300 0.009 0.000 2.151 40 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 40 Y C 2.453 178.406 175.900 0.088 0.000 1.166 40 Y CA 3.163 61.298 58.100 0.058 0.000 1.163 40 Y CB -0.431 38.036 38.460 0.011 0.000 0.974 40 Y HN 0.321 nan 8.280 nan 0.000 0.511 41 T N 1.213 115.842 114.554 0.125 0.000 2.674 41 T HA -0.205 4.145 4.350 -0.000 0.000 0.265 41 T C 1.783 176.539 174.700 0.093 0.000 1.039 41 T CA 1.516 63.664 62.100 0.081 0.000 1.150 41 T CB -0.762 68.199 68.868 0.155 0.000 0.864 41 T HN 0.354 nan 8.240 nan 0.000 0.427 42 L N 0.435 121.699 121.223 0.067 0.000 2.012 42 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 42 L C 2.189 179.046 176.870 -0.022 0.000 1.073 42 L CA 1.768 56.602 54.840 -0.010 0.000 0.748 42 L CB -0.827 41.168 42.059 -0.106 0.000 0.891 42 L HN 0.444 nan 8.230 nan 0.000 0.431 43 W N 0.097 121.269 121.300 -0.213 0.000 2.381 43 W HA -0.195 4.465 4.660 -0.000 0.000 0.301 43 W C 2.181 178.670 176.519 -0.049 0.000 1.205 43 W CA 2.463 59.710 57.345 -0.163 0.000 1.285 43 W CB -0.228 29.172 29.460 -0.099 0.000 1.133 43 W HN 0.492 nan 8.180 nan 0.000 0.521 44 T N -2.726 111.800 114.554 -0.046 0.000 3.037 44 T HA 0.069 4.419 4.350 -0.000 0.000 0.251 44 T C 1.347 175.895 174.700 -0.253 0.000 1.079 44 T CA 0.510 62.475 62.100 -0.223 0.000 1.067 44 T CB 0.161 68.636 68.868 -0.655 0.000 0.948 44 T HN 0.195 nan 8.240 nan 0.000 0.496 45 Q N -0.765 118.889 119.800 -0.242 0.000 2.245 45 Q HA 0.411 4.751 4.340 -0.000 0.000 0.236 45 Q C -0.665 174.863 176.000 -0.786 0.000 0.842 45 Q CA -0.030 55.507 55.803 -0.443 0.000 0.945 45 Q CB 0.814 29.300 28.738 -0.419 0.000 1.122 45 Q HN 0.457 nan 8.270 nan 0.000 0.506 49 H N 0.133 119.240 119.070 0.062 0.000 3.064 49 H HA 0.360 4.916 4.556 0.000 0.000 0.352 49 H C -1.672 173.703 175.328 0.079 0.000 1.260 49 H CA -1.080 55.024 56.048 0.094 0.000 1.160 49 H CB 1.627 31.343 29.762 -0.076 0.000 1.879 49 H HN 0.423 nan 8.280 nan 0.000 0.544 50 N N 2.505 121.261 118.700 0.095 0.000 2.569 50 N HA 0.198 4.938 4.740 -0.000 0.000 0.254 50 N C -2.164 173.147 175.510 -0.331 0.000 1.004 50 N CA -2.502 50.459 53.050 -0.149 0.000 0.904 50 N CB 1.458 39.863 38.487 -0.137 0.000 1.165 50 N HN 0.367 nan 8.380 nan 0.000 0.513 51 P HA -0.116 nan 4.420 nan 0.000 0.218 51 P C 0.462 177.422 177.300 -0.566 0.000 1.146 51 P CA 1.048 63.439 63.100 -1.182 0.000 0.813 51 P CB 0.254 31.481 31.700 -0.787 0.000 0.778 52 N N -1.422 117.090 118.700 -0.313 0.000 2.463 52 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 52 N C 0.352 175.797 175.510 -0.107 0.000 1.078 52 N CA 0.750 53.697 53.050 -0.172 0.000 0.902 52 N CB -0.371 38.032 38.487 -0.140 0.000 0.970 52 N HN 0.103 nan 8.380 nan 0.000 0.451 53 N N 0.400 119.041 118.700 -0.098 0.000 2.752 53 N HA 0.196 4.936 4.740 -0.000 0.000 0.260 53 N C -2.266 173.299 175.510 0.092 0.000 1.562 53 N CA -1.634 51.416 53.050 -0.001 0.000 0.788 53 N CB 1.113 39.586 38.487 -0.023 0.000 1.192 53 N HN -0.119 nan 8.380 nan 0.000 0.503 54 P HA -0.034 nan 4.420 nan 0.000 0.230 54 P C 0.617 178.045 177.300 0.214 0.000 1.158 54 P CA 0.987 64.240 63.100 0.255 0.000 0.769 54 P CB 0.061 31.981 31.700 0.367 0.000 0.807 55 T N -6.577 108.082 114.554 0.174 0.000 3.145 55 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 55 T C 0.120 174.924 174.700 0.173 0.000 1.039 55 T CA -0.814 61.377 62.100 0.152 0.000 0.928 55 T CB -0.909 68.044 68.868 0.142 0.000 1.029 55 T HN -0.070 nan 8.240 nan 0.000 0.554 56 W N 2.122 123.396 121.300 -0.044 0.000 2.476 56 W HA 0.158 4.818 4.660 0.000 0.000 0.338 56 W C 0.513 176.897 176.519 -0.224 0.000 1.328 56 W CA -2.161 55.106 57.345 -0.130 0.000 1.300 56 W CB -0.566 28.786 29.460 -0.181 0.000 1.252 56 W HN 0.262 nan 8.180 nan 0.000 0.568 57 F N 4.801 124.577 119.950 -0.291 0.000 2.216 57 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 57 F C 1.784 177.099 175.800 -0.809 0.000 1.085 57 F CA 2.178 59.920 58.000 -0.430 0.000 1.326 57 F CB -0.278 38.647 39.000 -0.126 0.000 1.027 57 F HN 0.434 nan 8.300 nan 0.000 0.497 58 N N 0.252 118.040 118.700 -1.521 0.000 2.251 58 N HA 0.044 4.784 4.740 -0.000 0.000 0.217 58 N C -0.083 174.300 175.510 -1.879 0.000 1.124 58 N CA -0.315 51.842 53.050 -1.490 0.000 0.843 58 N CB -0.082 37.604 38.487 -1.334 0.000 1.024 58 N HN 0.254 nan 8.380 nan 0.000 0.501 59 R N -0.354 118.980 120.500 -1.944 0.000 2.694 59 R HA 0.119 4.459 4.340 -0.000 0.000 0.268 59 R C -0.844 174.917 176.300 -0.899 0.000 1.061 59 R CA -0.209 55.117 56.100 -1.290 0.000 1.133 59 R CB 0.262 30.217 30.300 -0.574 0.000 1.020 59 R HN -0.005 nan 8.270 nan 0.000 0.475 60 D N 1.833 121.980 120.400 -0.422 0.000 2.455 60 D HA 0.064 4.704 4.640 -0.000 0.000 0.241 60 D C 0.028 176.234 176.300 -0.156 0.000 1.138 60 D CA 0.251 54.165 54.000 -0.144 0.000 0.877 60 D CB 0.632 41.531 40.800 0.165 0.000 1.187 60 D HN 0.257 nan 8.370 nan 0.000 0.451 61 R N 1.504 121.951 120.500 -0.088 0.000 2.500 61 R HA 0.516 4.856 4.340 -0.000 0.000 0.275 61 R C -0.414 176.001 176.300 0.192 0.000 1.051 61 R CA -0.616 55.471 56.100 -0.022 0.000 1.088 61 R CB 0.524 30.798 30.300 -0.043 0.000 1.063 61 R HN 0.401 nan 8.270 nan 0.000 0.511 62 F N 0.787 120.756 119.950 0.032 0.000 2.557 62 F HA 0.397 4.924 4.527 0.000 0.000 0.316 62 F C -1.330 174.526 175.800 0.095 0.000 1.141 62 F CA -0.843 57.218 58.000 0.102 0.000 0.922 62 F CB 1.575 40.634 39.000 0.098 0.000 1.194 62 F HN 0.101 nan 8.300 nan 0.000 0.443 63 V N 7.062 126.481 119.914 -0.825 0.000 2.444 63 V HA 0.324 4.444 4.120 -0.000 0.000 0.294 63 V C -0.700 174.850 176.094 -0.907 0.000 1.022 63 V CA -0.762 61.168 62.300 -0.616 0.000 0.850 63 V CB 1.580 33.241 31.823 -0.271 0.000 0.992 63 V HN 0.669 nan 8.190 nan 0.000 0.426 64 L N 4.413 125.284 121.223 -0.586 0.000 2.387 64 L HA 0.312 4.652 4.340 -0.000 0.000 0.267 64 L C 1.609 178.373 176.870 -0.177 0.000 1.197 64 L CA 0.866 55.525 54.840 -0.303 0.000 1.070 64 L CB 0.557 42.582 42.059 -0.057 0.000 1.349 64 L HN 0.764 nan 8.230 nan 0.000 0.422 65 S N 3.052 118.649 115.700 -0.170 0.000 2.383 65 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 65 S C 1.281 175.839 174.600 -0.070 0.000 1.030 65 S CA 0.905 59.046 58.200 -0.099 0.000 1.002 65 S CB -0.049 63.101 63.200 -0.083 0.000 0.829 65 S HN 0.758 nan 8.310 nan 0.000 0.467 66 A N 0.900 123.660 122.820 -0.100 0.000 2.990 66 A HA 0.542 4.862 4.320 -0.000 0.000 0.282 66 A C 1.368 178.767 177.584 -0.307 0.000 1.688 66 A CA 0.171 52.103 52.037 -0.174 0.000 1.391 66 A CB -0.708 18.162 19.000 -0.216 0.000 1.112 66 A HN 0.498 nan 8.150 nan 0.000 0.588 67 G N 1.005 109.751 108.800 -0.090 0.000 2.470 67 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 67 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 67 G C 1.338 176.206 174.900 -0.052 0.000 1.121 67 G CA 1.108 46.210 45.100 0.003 0.000 0.766 67 G HN 0.993 nan 8.290 nan 0.000 0.553 68 H N -0.018 119.036 119.070 -0.027 0.000 2.489 68 H HA 0.000 4.556 4.556 0.000 0.000 0.293 68 H C 2.155 177.294 175.328 -0.315 0.000 1.066 68 H CA 0.924 56.715 56.048 -0.429 0.000 1.305 68 H CB -0.618 28.706 29.762 -0.730 0.000 1.386 68 H HN 0.227 nan 8.280 nan 0.000 0.551 69 G N 1.805 110.289 108.800 -0.525 0.000 3.279 69 G HA2 0.019 3.979 3.960 -0.000 0.000 0.230 69 G HA3 0.019 3.979 3.960 -0.000 0.000 0.230 69 G C 0.586 175.326 174.900 -0.265 0.000 1.230 69 G CA 0.185 45.102 45.100 -0.304 0.000 0.891 69 G HN 0.616 nan 8.290 nan 0.000 0.518 73 L N 0.142 121.163 121.223 -0.337 0.000 2.044 73 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 73 L C 2.282 179.000 176.870 -0.253 0.000 1.075 73 L CA 2.240 56.875 54.840 -0.342 0.000 0.747 73 L CB -0.808 41.119 42.059 -0.220 0.000 0.903 73 L HN 0.426 nan 8.230 nan 0.000 0.435 74 Y N -0.358 119.854 120.300 -0.147 0.000 2.224 74 Y HA -0.133 4.417 4.550 0.000 0.000 0.289 74 Y C 2.852 178.678 175.900 -0.122 0.000 1.146 74 Y CA 0.991 59.029 58.100 -0.103 0.000 1.182 74 Y CB -1.453 36.964 38.460 -0.072 0.000 0.983 74 Y HN 0.193 nan 8.280 nan 0.000 0.524 75 S N 0.184 115.859 115.700 -0.043 0.000 2.359 75 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 75 S C 2.205 176.681 174.600 -0.207 0.000 1.035 75 S CA 1.340 59.483 58.200 -0.095 0.000 1.018 75 S CB -0.686 62.421 63.200 -0.155 0.000 0.876 75 S HN 0.353 nan 8.310 nan 0.000 0.448 76 L N 0.898 121.880 121.223 -0.401 0.000 2.046 76 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 76 L C 2.258 178.882 176.870 -0.410 0.000 1.077 76 L CA 0.976 55.394 54.840 -0.704 0.000 0.747 76 L CB -0.529 40.663 42.059 -1.445 0.000 0.896 76 L HN 0.290 nan 8.230 nan 0.000 0.432 77 L N -1.078 120.012 121.223 -0.222 0.000 2.017 77 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 77 L C 2.698 179.695 176.870 0.212 0.000 1.073 77 L CA 1.481 56.358 54.840 0.063 0.000 0.745 77 L CB -0.744 41.318 42.059 0.005 0.000 0.894 77 L HN 0.325 nan 8.230 nan 0.000 0.432 78 H N 0.344 119.447 119.070 0.054 0.000 2.293 78 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 78 H C 2.155 177.529 175.328 0.077 0.000 1.082 78 H CA 1.772 57.868 56.048 0.079 0.000 1.308 78 H CB -0.166 29.630 29.762 0.057 0.000 1.375 78 H HN 0.135 nan 8.280 nan 0.000 0.495 79 L N -0.463 120.623 121.223 -0.228 0.000 2.131 79 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 79 L C 2.267 178.916 176.870 -0.369 0.000 1.092 79 L CA 1.339 55.903 54.840 -0.460 0.000 0.759 79 L CB -0.257 41.189 42.059 -1.021 0.000 0.903 79 L HN 0.271 nan 8.230 nan 0.000 0.435 80 S N -0.743 114.870 115.700 -0.144 0.000 2.527 80 S HA 0.118 4.588 4.470 -0.000 0.000 0.222 80 S C 1.430 176.136 174.600 0.176 0.000 0.985 80 S CA 0.763 59.112 58.200 0.248 0.000 0.921 80 S CB 0.427 64.050 63.200 0.704 0.000 0.772 80 S HN 0.656 nan 8.310 nan 0.000 0.529 81 G N 0.232 109.083 108.800 0.085 0.000 2.144 81 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 81 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 81 G C -0.032 174.882 174.900 0.024 0.000 0.988 81 G CA -0.429 44.670 45.100 -0.002 0.000 0.659 81 G HN 0.471 nan 8.290 nan 0.000 0.522 82 Y N 0.313 120.652 120.300 0.066 0.000 2.335 82 Y HA 0.350 4.900 4.550 0.000 0.000 0.348 82 Y C 1.281 177.223 175.900 0.069 0.000 1.280 82 Y CA 0.484 58.642 58.100 0.097 0.000 1.504 82 Y CB 0.464 39.030 38.460 0.177 0.000 1.366 82 Y HN 0.081 nan 8.280 nan 0.000 0.621 83 D N 1.179 121.724 120.400 0.241 0.000 2.885 83 D HA 0.111 4.751 4.640 -0.000 0.000 0.234 83 D C -1.363 175.024 176.300 0.144 0.000 1.129 83 D CA 0.308 54.395 54.000 0.144 0.000 0.991 83 D CB -0.688 40.172 40.800 0.099 0.000 1.137 83 D HN 0.152 nan 8.370 nan 0.000 0.459 84 V N 1.939 121.962 119.914 0.182 0.000 2.376 84 V HA 0.316 4.436 4.120 -0.000 0.000 0.287 84 V C 0.813 177.050 176.094 0.238 0.000 1.015 84 V CA -0.751 61.637 62.300 0.147 0.000 0.834 84 V CB 1.402 33.310 31.823 0.143 0.000 1.001 84 V HN 0.390 nan 8.190 nan 0.000 0.428 88 D N 1.015 121.355 120.400 -0.101 0.000 2.116 88 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 88 D C 2.205 178.451 176.300 -0.091 0.000 0.998 88 D CA 1.045 54.991 54.000 -0.089 0.000 0.836 88 D CB -0.188 40.563 40.800 -0.081 0.000 0.951 88 D HN 0.362 nan 8.370 nan 0.000 0.449 89 L N 0.287 121.436 121.223 -0.123 0.000 2.131 89 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 89 L C 2.150 179.014 176.870 -0.011 0.000 1.092 89 L CA 1.058 55.867 54.840 -0.053 0.000 0.759 89 L CB -0.309 41.706 42.059 -0.075 0.000 0.903 89 L HN -0.034 nan 8.230 nan 0.000 0.435 90 K N -0.057 120.215 120.400 -0.213 0.000 2.555 90 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 90 K C 0.696 177.260 176.600 -0.059 0.000 1.032 90 K CA 0.364 56.473 56.287 -0.296 0.000 1.004 90 K CB 0.054 32.242 32.500 -0.521 0.000 0.804 90 K HN 0.274 nan 8.250 nan 0.000 0.496 91 N N 0.427 119.125 118.700 -0.002 0.000 2.282 91 N HA 0.011 4.751 4.740 -0.000 0.000 0.240 91 N C -0.632 174.939 175.510 0.102 0.000 1.182 91 N CA -0.252 52.821 53.050 0.039 0.000 0.874 91 N CB 0.263 38.748 38.487 -0.002 0.000 1.126 91 N HN 0.036 nan 8.380 nan 0.000 0.516 92 F N 2.578 122.528 119.950 0.000 0.000 2.612 92 F HA -0.073 4.454 4.527 -0.000 0.000 0.389 92 F C 1.298 177.130 175.800 0.054 0.000 1.055 92 F CA 0.585 58.606 58.000 0.035 0.000 1.232 92 F CB 0.236 39.297 39.000 0.103 0.000 1.044 92 F HN 0.187 nan 8.300 nan 0.000 0.560 93 R N 1.159 121.399 120.500 -0.434 0.000 3.951 93 R HA -0.202 4.138 4.340 -0.000 0.000 0.352 93 R C -0.567 175.656 176.300 -0.128 0.000 1.178 93 R CA 0.848 56.704 56.100 -0.406 0.000 0.949 93 R CB -1.385 28.545 30.300 -0.617 0.000 1.452 93 R HN 0.623 nan 8.270 nan 0.000 0.540 94 Q N -0.189 119.584 119.800 -0.045 0.000 2.248 94 Q HA 0.176 4.516 4.340 -0.000 0.000 0.263 94 Q C -0.133 175.919 176.000 0.087 0.000 1.007 94 Q CA -0.597 55.234 55.803 0.047 0.000 0.877 94 Q CB 0.674 29.448 28.738 0.061 0.000 1.315 94 Q HN 0.219 nan 8.270 nan 0.000 0.454 95 W N 1.747 123.036 121.300 -0.020 0.000 2.476 95 W HA 0.041 4.700 4.660 -0.000 0.000 0.338 95 W C 0.669 177.188 176.519 0.000 0.000 1.328 95 W CA 2.048 59.388 57.345 -0.008 0.000 1.300 95 W CB 0.110 29.569 29.460 -0.003 0.000 1.252 95 W HN 0.927 nan 8.180 nan 0.000 0.568 96 G N 3.644 112.026 108.800 -0.697 0.000 2.168 96 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 96 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 96 G C 0.359 175.124 174.900 -0.224 0.000 0.977 96 G CA 0.561 45.323 45.100 -0.563 0.000 0.659 96 G HN 1.105 nan 8.290 nan 0.000 0.533 97 S N -1.010 114.602 115.700 -0.146 0.000 2.614 97 S HA 0.539 5.009 4.470 -0.000 0.000 0.265 97 S C 1.046 175.594 174.600 -0.087 0.000 1.303 97 S CA 0.365 58.513 58.200 -0.086 0.000 1.000 97 S CB 1.341 64.507 63.200 -0.057 0.000 0.935 97 S HN 0.300 nan 8.310 nan 0.000 0.551 98 K N 0.363 120.709 120.400 -0.089 0.000 2.505 98 K HA 0.093 4.413 4.320 -0.000 0.000 0.192 98 K C 0.225 176.690 176.600 -0.224 0.000 1.025 98 K CA 0.555 56.783 56.287 -0.097 0.000 1.086 98 K CB -0.014 32.439 32.500 -0.078 0.000 0.840 98 K HN 0.829 nan 8.250 nan 0.000 0.514 99 T N -0.200 114.203 114.554 -0.251 0.000 3.514 99 T HA 0.256 4.606 4.350 -0.000 0.000 0.259 99 T C -2.686 171.993 174.700 -0.035 0.000 1.466 99 T CA -2.049 59.763 62.100 -0.480 0.000 1.562 99 T CB 0.671 69.313 68.868 -0.376 0.000 0.924 99 T HN -0.157 nan 8.240 nan 0.000 0.678 100 P HA 0.186 nan 4.420 nan 0.000 0.272 100 P C 1.399 178.784 177.300 0.141 0.000 1.230 100 P CA -0.056 63.067 63.100 0.038 0.000 0.788 100 P CB 0.645 32.353 31.700 0.013 0.000 0.949 101 G N 0.734 109.496 108.800 -0.064 0.000 2.469 101 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 101 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 101 G C 0.125 174.932 174.900 -0.155 0.000 1.136 101 G CA 1.052 46.057 45.100 -0.159 0.000 0.759 101 G HN 0.627 nan 8.290 nan 0.000 0.562 102 H N -0.559 118.586 119.070 0.124 0.000 2.679 102 H HA 0.468 5.024 4.556 0.000 0.000 0.367 102 H C -2.472 172.937 175.328 0.134 0.000 1.162 102 H CA -1.966 54.139 56.048 0.096 0.000 1.181 102 H CB 1.795 31.588 29.762 0.052 0.000 1.693 102 H HN -0.092 nan 8.280 nan 0.000 0.538 103 P HA 0.033 nan 4.420 nan 0.000 0.265 103 P C -0.860 176.565 177.300 0.209 0.000 1.193 103 P CA 0.200 63.429 63.100 0.215 0.000 0.765 103 P CB 0.579 32.351 31.700 0.120 0.000 0.823 104 E N 2.155 122.488 120.200 0.222 0.000 2.235 104 E HA 0.135 4.485 4.350 -0.000 0.000 0.252 104 E C -0.859 175.904 176.600 0.271 0.000 0.886 104 E CA -0.881 55.629 56.400 0.183 0.000 0.767 104 E CB 0.837 30.531 29.700 -0.009 0.000 1.205 104 E HN 0.404 nan 8.360 nan 0.000 0.421 105 Y N 2.092 122.491 120.300 0.165 0.000 2.811 105 Y HA 0.117 4.667 4.550 0.000 0.000 0.334 105 Y C 1.366 177.386 175.900 0.201 0.000 1.247 105 Y CA 1.960 60.156 58.100 0.161 0.000 1.526 105 Y CB 0.457 38.990 38.460 0.122 0.000 1.284 105 Y HN 0.793 nan 8.280 nan 0.000 0.586 106 G N 3.974 112.449 108.800 -0.542 0.000 2.225 106 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 106 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 106 G C 0.887 175.633 174.900 -0.255 0.000 0.988 106 G CA 0.489 45.295 45.100 -0.489 0.000 0.625 106 G HN 0.800 nan 8.290 nan 0.000 0.527 107 H N -0.045 118.968 119.070 -0.095 0.000 2.874 107 H HA 0.226 4.782 4.556 0.000 0.000 0.264 107 H C 0.111 175.421 175.328 -0.030 0.000 1.007 107 H CA 1.311 57.328 56.048 -0.053 0.000 1.207 107 H CB 1.199 30.944 29.762 -0.029 0.000 1.487 107 H HN 0.353 nan 8.280 nan 0.000 0.505 108 T N 0.817 115.435 114.554 0.107 0.000 2.991 108 T HA 0.439 4.789 4.350 -0.000 0.000 0.303 108 T C -0.364 174.405 174.700 0.114 0.000 1.015 108 T CA -0.665 61.494 62.100 0.098 0.000 1.007 108 T CB 2.421 71.374 68.868 0.142 0.000 1.034 108 T HN 0.257 nan 8.240 nan 0.000 0.446 109 A N 1.461 124.353 122.820 0.120 0.000 2.520 109 A HA 0.548 4.868 4.320 -0.000 0.000 0.245 109 A C 1.578 179.298 177.584 0.226 0.000 1.072 109 A CA 0.742 52.887 52.037 0.181 0.000 0.761 109 A CB -0.813 18.315 19.000 0.212 0.000 1.004 109 A HN 1.944 nan 8.150 nan 0.000 0.499 110 G N 0.938 109.896 108.800 0.263 0.000 2.176 110 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.253 110 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.253 110 G C 0.209 175.211 174.900 0.171 0.000 0.979 110 G CA 0.168 45.380 45.100 0.185 0.000 0.641 110 G HN 1.427 nan 8.290 nan 0.000 0.530 111 V N 1.737 121.781 119.914 0.217 0.000 2.385 111 V HA 0.335 4.455 4.120 -0.000 0.000 0.269 111 V C 0.870 177.150 176.094 0.310 0.000 1.043 111 V CA 0.133 62.589 62.300 0.261 0.000 0.906 111 V CB 1.535 33.523 31.823 0.275 0.000 0.995 111 V HN 0.226 nan 8.190 nan 0.000 0.467 112 D N 3.485 124.039 120.400 0.257 0.000 2.333 112 D HA 0.289 4.929 4.640 -0.000 0.000 0.208 112 D C 0.607 176.967 176.300 0.101 0.000 0.984 112 D CA 0.941 55.059 54.000 0.197 0.000 0.873 112 D CB 0.801 41.661 40.800 0.101 0.000 0.935 112 D HN 0.663 nan 8.370 nan 0.000 0.521 113 A N -0.601 122.296 122.820 0.127 0.000 2.589 113 A HA 0.494 4.814 4.320 -0.000 0.000 0.296 113 A C -0.611 177.049 177.584 0.126 0.000 1.062 113 A CA -0.648 51.416 52.037 0.045 0.000 0.686 113 A CB 1.122 20.102 19.000 -0.034 0.000 1.282 113 A HN -0.118 nan 8.150 nan 0.000 0.404 114 T N 2.601 117.238 114.554 0.139 0.000 2.794 114 T HA 0.583 4.933 4.350 -0.000 0.000 0.296 114 T C 0.600 175.348 174.700 0.081 0.000 0.949 114 T CA 0.760 62.944 62.100 0.141 0.000 1.101 114 T CB 0.412 69.376 68.868 0.160 0.000 0.905 114 T HN 1.147 nan 8.240 nan 0.000 0.516 115 T N -0.301 114.299 114.554 0.077 0.000 2.742 115 T HA 0.853 5.203 4.350 -0.000 0.000 0.282 115 T C 0.786 175.514 174.700 0.047 0.000 1.025 115 T CA -0.040 62.086 62.100 0.043 0.000 1.020 115 T CB 1.883 70.760 68.868 0.014 0.000 1.317 115 T HN 0.738 nan 8.240 nan 0.000 0.538 116 G N 0.297 109.104 108.800 0.012 0.000 3.753 116 G HA2 0.025 3.985 3.960 -0.000 0.000 0.196 116 G HA3 0.025 3.985 3.960 -0.000 0.000 0.196 116 G C -2.592 172.239 174.900 -0.114 0.000 1.538 116 G CA -0.383 44.640 45.100 -0.129 0.000 1.040 116 G HN 0.872 nan 8.290 nan 0.000 0.427 117 P HA 0.527 nan 4.420 nan 0.000 0.276 117 P C 0.403 177.707 177.300 0.007 0.000 1.264 117 P CA -0.162 62.930 63.100 -0.013 0.000 0.769 117 P CB 0.694 32.412 31.700 0.029 0.000 0.840 118 L N 2.206 123.434 121.223 0.009 0.000 2.467 118 L HA 0.217 4.557 4.340 -0.000 0.000 0.270 118 L C 1.842 178.689 176.870 -0.040 0.000 1.205 118 L CA 0.998 55.838 54.840 -0.001 0.000 0.828 118 L CB -0.304 41.758 42.059 0.006 0.000 1.101 118 L HN 0.769 nan 8.230 nan 0.000 0.479 119 G N 0.494 109.253 108.800 -0.069 0.000 2.454 119 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.225 119 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.225 119 G C 0.931 175.735 174.900 -0.160 0.000 1.138 119 G CA 0.440 45.463 45.100 -0.129 0.000 0.667 119 G HN 0.639 nan 8.290 nan 0.000 0.512 120 Q N 0.618 120.337 119.800 -0.136 0.000 2.167 120 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 120 Q C 2.824 178.781 176.000 -0.072 0.000 0.970 120 Q CA 1.311 57.040 55.803 -0.123 0.000 0.855 120 Q CB -0.332 28.392 28.738 -0.024 0.000 0.911 120 Q HN 0.649 nan 8.270 nan 0.000 0.438 121 G N 1.640 110.405 108.800 -0.059 0.000 2.476 121 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 121 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 121 G C 1.421 176.286 174.900 -0.058 0.000 1.164 121 G CA 0.853 45.917 45.100 -0.061 0.000 0.768 121 G HN 0.240 nan 8.290 nan 0.000 0.560 122 I N 1.374 121.912 120.570 -0.053 0.000 2.163 122 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 122 I C 3.286 179.405 176.117 0.004 0.000 1.085 122 I CA 1.110 62.402 61.300 -0.013 0.000 1.347 122 I CB -0.221 37.772 38.000 -0.011 0.000 1.044 122 I HN 0.256 nan 8.210 nan 0.000 0.408 123 A N 0.056 122.852 122.820 -0.040 0.000 1.969 123 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 123 A C 2.354 179.936 177.584 -0.003 0.000 1.169 123 A CA 2.206 54.224 52.037 -0.032 0.000 0.635 123 A CB -0.956 17.975 19.000 -0.115 0.000 0.810 123 A HN 0.392 nan 8.150 nan 0.000 0.445 124 T N 0.277 114.821 114.554 -0.015 0.000 2.777 124 T HA 0.008 4.358 4.350 -0.000 0.000 0.266 124 T C 2.237 176.936 174.700 -0.001 0.000 1.040 124 T CA 1.433 63.529 62.100 -0.005 0.000 1.141 124 T CB -0.406 68.451 68.868 -0.019 0.000 0.868 124 T HN 0.582 nan 8.240 nan 0.000 0.444 125 A N 1.067 123.883 122.820 -0.007 0.000 1.933 125 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 125 A C 2.570 180.163 177.584 0.015 0.000 1.175 125 A CA 1.264 53.300 52.037 -0.001 0.000 0.628 125 A CB -1.043 17.955 19.000 -0.003 0.000 0.814 125 A HN 0.352 nan 8.150 nan 0.000 0.444 126 V N 0.246 120.183 119.914 0.039 0.000 2.287 126 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 126 V C 2.068 178.186 176.094 0.041 0.000 1.053 126 V CA 1.164 63.492 62.300 0.047 0.000 1.027 126 V CB -1.667 30.206 31.823 0.083 0.000 0.646 126 V HN 0.635 nan 8.190 nan 0.000 0.447 132 E N 0.826 120.673 120.200 -0.589 0.000 2.058 132 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 132 E C 1.930 178.280 176.600 -0.416 0.000 0.997 132 E CA 1.323 57.367 56.400 -0.593 0.000 0.801 132 E CB -0.183 29.114 29.700 -0.671 0.000 0.746 132 E HN 0.383 nan 8.360 nan 0.000 0.450 133 R N -0.277 119.991 120.500 -0.386 0.000 2.092 133 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 133 R C 2.343 178.562 176.300 -0.136 0.000 1.119 133 R CA 1.426 57.280 56.100 -0.410 0.000 0.970 133 R CB -1.222 28.512 30.300 -0.943 0.000 0.864 133 R HN 0.395 nan 8.270 nan 0.000 0.440 134 H N 0.949 119.933 119.070 -0.144 0.000 2.321 134 H HA -0.008 4.548 4.556 0.000 0.000 0.300 134 H C 2.027 177.243 175.328 -0.186 0.000 1.087 134 H CA 1.761 57.714 56.048 -0.157 0.000 1.319 134 H CB -0.287 29.009 29.762 -0.776 0.000 1.379 134 H HN 0.033 nan 8.280 nan 0.000 0.501 135 L N -0.446 120.626 121.223 -0.252 0.000 2.056 135 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 135 L C 2.856 179.735 176.870 0.015 0.000 1.078 135 L CA 1.004 55.797 54.840 -0.079 0.000 0.749 135 L CB -0.660 41.439 42.059 0.066 0.000 0.901 135 L HN 0.409 nan 8.230 nan 0.000 0.433 136 A N 0.118 122.905 122.820 -0.055 0.000 1.883 136 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 136 A C 2.537 180.103 177.584 -0.030 0.000 1.186 136 A CA 1.911 53.932 52.037 -0.026 0.000 0.624 136 A CB -0.828 18.116 19.000 -0.094 0.000 0.822 136 A HN 0.403 nan 8.150 nan 0.000 0.444 137 A N -0.347 122.440 122.820 -0.055 0.000 1.902 137 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 137 A C 2.134 179.634 177.584 -0.139 0.000 1.181 137 A CA 1.828 53.839 52.037 -0.044 0.000 0.623 137 A CB -0.404 18.622 19.000 0.043 0.000 0.818 137 A HN 0.559 nan 8.150 nan 0.000 0.443 138 K N -2.021 118.205 120.400 -0.290 0.000 2.062 138 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 138 K C 1.560 177.873 176.600 -0.480 0.000 1.051 138 K CA 1.616 57.614 56.287 -0.481 0.000 0.941 138 K CB -0.202 31.817 32.500 -0.801 0.000 0.719 138 K HN 0.646 nan 8.250 nan 0.000 0.440 139 Y N 0.488 120.753 120.300 -0.059 0.000 2.535 139 Y HA 0.142 4.692 4.550 0.000 0.000 0.266 139 Y C 0.421 176.331 175.900 0.017 0.000 1.088 139 Y CA -0.593 57.514 58.100 0.012 0.000 1.285 139 Y CB 0.106 38.591 38.460 0.041 0.000 1.166 139 Y HN -0.086 nan 8.280 nan 0.000 0.525 140 N N 1.924 120.686 118.700 0.103 0.000 2.492 140 N HA 0.151 4.891 4.740 -0.000 0.000 0.260 140 N C -0.249 175.293 175.510 0.055 0.000 1.215 140 N CA 0.225 53.315 53.050 0.066 0.000 0.923 140 N CB 0.462 38.976 38.487 0.044 0.000 1.092 140 N HN 0.016 nan 8.380 nan 0.000 0.448 141 R N 1.395 121.961 120.500 0.110 0.000 2.725 141 R HA 0.298 4.638 4.340 -0.000 0.000 0.277 141 R C 0.248 176.659 176.300 0.185 0.000 0.987 141 R CA -0.573 55.561 56.100 0.057 0.000 0.901 141 R CB 1.263 31.388 30.300 -0.292 0.000 1.207 141 R HN 0.572 nan 8.270 nan 0.000 0.463 142 D N 1.232 121.717 120.400 0.140 0.000 3.910 142 D HA -0.313 4.327 4.640 -0.000 0.000 0.153 142 D C 0.763 177.067 176.300 0.006 0.000 0.802 142 D CA 2.410 56.469 54.000 0.099 0.000 1.009 142 D CB -0.783 40.113 40.800 0.160 0.000 0.453 142 D HN 0.639 nan 8.370 nan 0.000 0.422 143 A N -0.257 122.476 122.820 -0.144 0.000 2.307 143 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 143 A C 0.051 177.486 177.584 -0.249 0.000 1.228 143 A CA 0.058 51.963 52.037 -0.219 0.000 0.857 143 A CB -0.205 18.623 19.000 -0.286 0.000 0.897 143 A HN 0.370 nan 8.150 nan 0.000 0.495 144 Y N 2.100 122.456 120.300 0.093 0.000 2.691 144 Y HA 0.184 4.734 4.550 -0.000 0.000 0.338 144 Y C 0.466 176.352 175.900 -0.023 0.000 1.148 144 Y CA -1.607 56.521 58.100 0.048 0.000 1.430 144 Y CB -0.052 38.503 38.460 0.159 0.000 1.303 144 Y HN 0.441 nan 8.280 nan 0.000 0.499 145 N N 2.785 121.550 118.700 0.108 0.000 3.245 145 N HA 0.009 4.749 4.740 -0.000 0.000 0.296 145 N C 0.650 176.243 175.510 0.138 0.000 1.254 145 N CA 0.107 53.214 53.050 0.095 0.000 1.190 145 N CB 0.123 38.665 38.487 0.092 0.000 1.460 145 N HN 0.455 nan 8.380 nan 0.000 0.538 146 I N -0.199 120.400 120.570 0.049 0.000 2.252 146 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 146 I C 0.540 176.895 176.117 0.398 0.000 1.102 146 I CA 0.727 62.082 61.300 0.093 0.000 1.385 146 I CB -0.383 37.411 38.000 -0.342 0.000 1.064 146 I HN 0.144 nan 8.210 nan 0.000 0.414 147 V N 2.794 122.837 119.914 0.214 0.000 2.311 147 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 147 V C -0.687 175.431 176.094 0.040 0.000 1.022 147 V CA -0.408 61.993 62.300 0.169 0.000 0.830 147 V CB 1.504 33.407 31.823 0.134 0.000 1.012 147 V HN 0.227 nan 8.190 nan 0.000 0.452 148 D N 4.261 124.676 120.400 0.024 0.000 2.362 148 D HA 0.320 4.960 4.640 -0.000 0.000 0.232 148 D C -0.816 175.479 176.300 -0.009 0.000 1.329 148 D CA -0.288 53.691 54.000 -0.035 0.000 0.944 148 D CB 0.680 41.520 40.800 0.066 0.000 1.471 148 D HN 0.857 nan 8.370 nan 0.000 0.533 149 H N -0.327 118.655 119.070 -0.147 0.000 2.960 149 H HA 0.620 5.176 4.556 0.000 0.000 0.323 149 H C -1.609 173.594 175.328 -0.208 0.000 1.326 149 H CA -0.761 55.218 56.048 -0.115 0.000 1.124 149 H CB 0.389 30.006 29.762 -0.241 0.000 1.853 149 H HN -0.007 nan 8.280 nan 0.000 0.536 150 Y N -0.365 119.941 120.300 0.010 0.000 2.519 150 Y HA 0.595 5.145 4.550 -0.000 0.000 0.324 150 Y C 0.188 175.984 175.900 -0.173 0.000 1.214 150 Y CA -0.507 57.460 58.100 -0.221 0.000 1.260 150 Y CB 2.267 40.454 38.460 -0.454 0.000 1.311 150 Y HN 0.767 nan 8.280 nan 0.000 0.505 151 T N 1.827 116.227 114.554 -0.255 0.000 2.847 151 T HA 0.426 4.776 4.350 -0.000 0.000 0.291 151 T C -1.559 172.995 174.700 -0.244 0.000 0.998 151 T CA -0.640 61.371 62.100 -0.149 0.000 0.967 151 T CB -0.106 68.709 68.868 -0.088 0.000 0.954 151 T HN 0.236 nan 8.240 nan 0.000 0.441 152 Y N 1.363 121.752 120.300 0.149 0.000 2.446 152 Y HA 0.761 5.311 4.550 -0.000 0.000 0.338 152 Y C 0.326 176.261 175.900 0.058 0.000 1.055 152 Y CA -0.984 57.222 58.100 0.177 0.000 1.101 152 Y CB 1.713 40.354 38.460 0.301 0.000 1.221 152 Y HN 0.792 nan 8.280 nan 0.000 0.460 153 A N 2.718 125.661 122.820 0.205 0.000 2.539 153 A HA 0.834 5.154 4.320 -0.000 0.000 0.296 153 A C -1.537 176.088 177.584 0.068 0.000 1.073 153 A CA -0.721 51.280 52.037 -0.059 0.000 0.700 153 A CB 1.206 20.171 19.000 -0.059 0.000 1.296 153 A HN 0.696 nan 8.150 nan 0.000 0.405 154 I N 1.442 121.992 120.570 -0.033 0.000 2.406 154 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 154 I C 0.012 176.136 176.117 0.012 0.000 0.999 154 I CA -0.503 60.848 61.300 0.085 0.000 1.124 154 I CB 1.454 39.574 38.000 0.200 0.000 1.289 154 I HN 0.917 nan 8.210 nan 0.000 0.441 155 C N 3.224 122.555 119.300 0.051 0.000 2.913 155 C HA 1.021 5.481 4.460 -0.000 0.000 0.322 155 C C 0.377 175.442 174.990 0.125 0.000 1.292 155 C CA -0.396 58.639 59.018 0.028 0.000 1.649 155 C CB 0.973 28.689 27.740 -0.040 0.000 2.139 155 C HN 0.856 nan 8.230 nan 0.000 0.475 156 G N -0.257 108.612 108.800 0.114 0.000 3.175 156 G HA2 0.462 4.422 3.960 -0.000 0.000 0.255 156 G HA3 0.462 4.422 3.960 -0.000 0.000 0.255 156 G C -0.029 174.969 174.900 0.164 0.000 1.352 156 G CA -0.173 45.057 45.100 0.218 0.000 1.037 156 G HN 0.768 nan 8.290 nan 0.000 0.556 157 D N -0.058 120.456 120.400 0.191 0.000 2.123 157 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 157 D C 2.468 178.631 176.300 -0.228 0.000 0.992 157 D CA 1.693 55.672 54.000 -0.035 0.000 0.833 157 D CB -0.392 40.360 40.800 -0.080 0.000 0.954 157 D HN 0.429 nan 8.370 nan 0.000 0.455 158 G N 1.334 110.064 108.800 -0.116 0.000 2.440 158 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 158 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 158 G C 1.363 176.198 174.900 -0.110 0.000 1.154 158 G CA 0.776 45.804 45.100 -0.120 0.000 0.767 158 G HN 0.157 nan 8.290 nan 0.000 0.552 159 D N -0.108 120.246 120.400 -0.078 0.000 2.133 159 D HA -0.062 4.578 4.640 -0.000 0.000 0.195 159 D C 1.224 177.447 176.300 -0.128 0.000 0.997 159 D CA 0.603 54.548 54.000 -0.092 0.000 0.840 159 D CB 0.011 40.758 40.800 -0.087 0.000 0.947 159 D HN 0.094 nan 8.370 nan 0.000 0.452 163 G N 0.974 109.767 108.800 -0.013 0.000 2.448 163 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 163 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 163 G C 1.233 176.087 174.900 -0.076 0.000 1.127 163 G CA 1.005 46.101 45.100 -0.006 0.000 0.766 163 G HN 0.293 nan 8.290 nan 0.000 0.552 164 V N 1.622 121.406 119.914 -0.217 0.000 2.626 164 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 164 V C 3.097 179.032 176.094 -0.266 0.000 1.067 164 V CA 2.660 64.708 62.300 -0.420 0.000 1.081 164 V CB -0.228 30.866 31.823 -1.214 0.000 0.686 164 V HN 0.547 nan 8.190 nan 0.000 0.468 165 S N 0.425 116.009 115.700 -0.192 0.000 2.406 165 S HA -0.021 4.449 4.470 -0.000 0.000 0.228 165 S C 2.114 176.649 174.600 -0.109 0.000 1.020 165 S CA 1.188 59.317 58.200 -0.119 0.000 0.965 165 S CB -0.494 62.656 63.200 -0.083 0.000 0.798 165 S HN 0.767 nan 8.310 nan 0.000 0.488 166 A N 2.089 124.855 122.820 -0.091 0.000 1.877 166 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 166 A C 2.164 179.612 177.584 -0.227 0.000 1.186 166 A CA 1.501 53.474 52.037 -0.107 0.000 0.620 166 A CB -0.790 18.231 19.000 0.034 0.000 0.822 166 A HN 0.663 nan 8.150 nan 0.000 0.443 167 E N -0.200 119.924 120.200 -0.126 0.000 2.038 167 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 167 E C 2.315 178.845 176.600 -0.118 0.000 1.000 167 E CA 1.126 57.465 56.400 -0.101 0.000 0.803 167 E CB -0.333 29.346 29.700 -0.035 0.000 0.750 167 E HN 0.608 nan 8.360 nan 0.000 0.448 168 A N 0.873 123.636 122.820 -0.095 0.000 1.972 168 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 168 A C 2.304 179.891 177.584 0.005 0.000 1.169 168 A CA 1.584 53.609 52.037 -0.021 0.000 0.635 168 A CB -0.283 18.712 19.000 -0.009 0.000 0.810 168 A HN 0.106 nan 8.150 nan 0.000 0.446 169 S N -0.774 114.848 115.700 -0.130 0.000 2.395 169 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 169 S C 2.261 176.701 174.600 -0.266 0.000 1.027 169 S CA 1.105 59.263 58.200 -0.070 0.000 0.965 169 S CB -0.243 62.611 63.200 -0.577 0.000 0.812 169 S HN 0.676 nan 8.310 nan 0.000 0.482 170 S N 1.592 116.843 115.700 -0.748 0.000 2.359 170 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 170 S C 1.881 176.443 174.600 -0.062 0.000 1.035 170 S CA 1.171 59.089 58.200 -0.470 0.000 1.018 170 S CB -0.478 62.521 63.200 -0.335 0.000 0.876 170 S HN 0.355 nan 8.310 nan 0.000 0.448 171 L N 1.877 123.086 121.223 -0.023 0.000 2.017 171 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 171 L C 2.528 179.458 176.870 0.101 0.000 1.073 171 L CA 2.215 57.099 54.840 0.073 0.000 0.745 171 L CB -1.302 40.811 42.059 0.090 0.000 0.894 171 L HN 0.338 nan 8.230 nan 0.000 0.432 172 A N -0.557 122.317 122.820 0.089 0.000 1.908 172 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 172 A C 2.440 179.972 177.584 -0.086 0.000 1.181 172 A CA 1.931 53.977 52.037 0.015 0.000 0.627 172 A CB -1.172 17.847 19.000 0.032 0.000 0.818 172 A HN 0.590 nan 8.150 nan 0.000 0.445 173 A N -1.491 121.324 122.820 -0.008 0.000 1.898 173 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 173 A C 2.118 179.707 177.584 0.008 0.000 1.181 173 A CA 1.619 53.632 52.037 -0.041 0.000 0.620 173 A CB -0.959 18.167 19.000 0.210 0.000 0.819 173 A HN 0.755 nan 8.150 nan 0.000 0.442 174 H N -0.189 118.874 119.070 -0.012 0.000 2.387 174 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 174 H C 1.481 176.773 175.328 -0.059 0.000 1.090 174 H CA 1.600 57.632 56.048 -0.026 0.000 1.332 174 H CB -0.024 29.730 29.762 -0.014 0.000 1.386 174 H HN 0.416 nan 8.280 nan 0.000 0.516 175 L N 0.620 121.790 121.223 -0.088 0.000 2.591 175 L HA -0.010 4.330 4.340 -0.000 0.000 0.228 175 L C 0.475 177.291 176.870 -0.090 0.000 1.133 175 L CA 0.277 55.045 54.840 -0.120 0.000 0.880 175 L CB 0.027 42.095 42.059 0.016 0.000 1.033 175 L HN 0.272 nan 8.230 nan 0.000 0.450 176 Q N 0.737 120.459 119.800 -0.130 0.000 2.452 176 Q HA -0.196 4.144 4.340 -0.000 0.000 0.318 176 Q C -0.318 175.622 176.000 -0.099 0.000 1.386 176 Q CA 0.336 56.066 55.803 -0.120 0.000 0.872 176 Q CB -1.663 27.006 28.738 -0.115 0.000 1.151 176 Q HN 0.492 nan 8.270 nan 0.000 0.417 177 L N 0.092 121.204 121.223 -0.185 0.000 2.399 177 L HA 0.166 4.506 4.340 -0.000 0.000 0.257 177 L C 1.660 178.357 176.870 -0.288 0.000 1.236 177 L CA 0.216 54.915 54.840 -0.235 0.000 1.144 177 L CB 0.101 42.023 42.059 -0.228 0.000 1.379 177 L HN 0.433 nan 8.230 nan 0.000 0.414 178 G N 1.125 109.787 108.800 -0.231 0.000 2.679 178 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 178 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 178 G C 1.499 176.268 174.900 -0.218 0.000 1.137 178 G CA 0.019 45.002 45.100 -0.195 0.000 0.787 178 G HN 0.489 nan 8.290 nan 0.000 0.534 179 R N -1.067 119.207 120.500 -0.377 0.000 2.317 179 R HA 0.269 4.609 4.340 -0.000 0.000 0.208 179 R C -0.053 176.022 176.300 -0.375 0.000 0.914 179 R CA -0.408 55.314 56.100 -0.631 0.000 1.060 179 R CB 0.166 29.890 30.300 -0.959 0.000 1.015 179 R HN 0.275 nan 8.270 nan 0.000 0.498 180 L N 0.908 121.969 121.223 -0.268 0.000 2.264 180 L HA 0.342 4.682 4.340 -0.000 0.000 0.289 180 L C -0.951 175.862 176.870 -0.096 0.000 1.044 180 L CA -0.382 54.343 54.840 -0.192 0.000 0.807 180 L CB 1.549 43.484 42.059 -0.207 0.000 1.192 180 L HN -0.257 nan 8.230 nan 0.000 0.425 181 V N 6.023 125.935 119.914 -0.003 0.000 2.482 181 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 181 V C -0.592 175.660 176.094 0.263 0.000 1.026 181 V CA -0.667 61.726 62.300 0.156 0.000 0.856 181 V CB 1.870 33.825 31.823 0.220 0.000 1.001 181 V HN 0.494 nan 8.190 nan 0.000 0.424 182 V N 6.183 126.274 119.914 0.295 0.000 2.384 182 V HA 0.485 4.605 4.120 -0.000 0.000 0.287 182 V C -0.415 175.798 176.094 0.199 0.000 1.020 182 V CA -0.620 61.827 62.300 0.246 0.000 0.850 182 V CB 1.666 33.627 31.823 0.230 0.000 0.987 182 V HN 0.611 nan 8.190 nan 0.000 0.436 183 L N 5.637 126.973 121.223 0.188 0.000 2.265 183 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 183 L C -0.543 176.431 176.870 0.174 0.000 1.058 183 L CA -0.133 54.800 54.840 0.156 0.000 0.809 183 L CB 0.628 42.772 42.059 0.141 0.000 1.179 183 L HN 0.650 nan 8.230 nan 0.000 0.429 184 Y N 3.319 123.613 120.300 -0.009 0.000 2.417 184 Y HA 0.319 4.869 4.550 -0.000 0.000 0.336 184 Y C -0.221 175.670 175.900 -0.015 0.000 0.961 184 Y CA -2.067 56.010 58.100 -0.038 0.000 1.215 184 Y CB 0.749 39.150 38.460 -0.098 0.000 1.120 184 Y HN 0.649 nan 8.280 nan 0.000 0.499 185 D N 4.113 124.574 120.400 0.103 0.000 2.383 185 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 185 D C -0.700 175.466 176.300 -0.223 0.000 1.263 185 D CA 0.466 54.433 54.000 -0.054 0.000 0.936 185 D CB 0.355 41.179 40.800 0.040 0.000 1.053 185 D HN 0.388 nan 8.370 nan 0.000 0.507 186 S N 3.385 118.786 115.700 -0.497 0.000 2.488 186 S HA 0.245 4.715 4.470 -0.000 0.000 0.310 186 S C 0.322 174.791 174.600 -0.218 0.000 1.093 186 S CA -0.820 57.008 58.200 -0.620 0.000 1.129 186 S CB -0.224 62.380 63.200 -0.993 0.000 0.989 186 S HN 0.538 nan 8.310 nan 0.000 0.479 187 N N 2.601 121.253 118.700 -0.080 0.000 2.170 187 N HA 0.173 4.913 4.740 -0.000 0.000 0.222 187 N C -0.426 175.099 175.510 0.025 0.000 1.218 187 N CA -0.199 52.844 53.050 -0.011 0.000 0.889 187 N CB 0.091 38.594 38.487 0.027 0.000 1.083 187 N HN 0.419 nan 8.380 nan 0.000 0.520 188 D N -0.260 120.162 120.400 0.037 0.000 3.076 188 D HA -0.135 4.505 4.640 -0.000 0.000 0.218 188 D C -0.801 175.532 176.300 0.054 0.000 1.156 188 D CA 0.776 54.813 54.000 0.062 0.000 0.921 188 D CB -0.812 40.018 40.800 0.050 0.000 1.113 188 D HN 0.398 nan 8.370 nan 0.000 0.418 189 I N 0.408 121.005 120.570 0.044 0.000 2.582 189 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 189 I C 0.704 176.816 176.117 -0.008 0.000 1.066 189 I CA -0.547 60.770 61.300 0.028 0.000 1.053 189 I CB 2.036 40.065 38.000 0.049 0.000 1.241 189 I HN -0.005 nan 8.210 nan 0.000 0.421 190 S N 5.358 121.025 115.700 -0.056 0.000 2.759 190 S HA 0.537 5.007 4.470 -0.000 0.000 0.310 190 S C 0.942 175.396 174.600 -0.243 0.000 1.123 190 S CA -0.729 57.384 58.200 -0.146 0.000 0.959 190 S CB 1.832 64.958 63.200 -0.125 0.000 1.172 190 S HN 0.606 nan 8.310 nan 0.000 0.539 191 L N 0.243 121.223 121.223 -0.405 0.000 2.043 191 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 191 L C 1.424 178.182 176.870 -0.188 0.000 1.075 191 L CA 1.966 56.526 54.840 -0.467 0.000 0.752 191 L CB -0.375 41.438 42.059 -0.410 0.000 0.891 191 L HN 0.721 nan 8.230 nan 0.000 0.432 192 D N -0.694 119.632 120.400 -0.124 0.000 2.348 192 D HA 0.195 4.835 4.640 -0.000 0.000 0.211 192 D C 0.810 177.086 176.300 -0.039 0.000 0.998 192 D CA 0.980 54.942 54.000 -0.062 0.000 0.873 192 D CB 0.783 41.556 40.800 -0.046 0.000 0.925 192 D HN 0.551 nan 8.370 nan 0.000 0.524 193 G N -0.310 108.466 108.800 -0.041 0.000 2.373 193 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.250 193 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.250 193 G C -1.579 173.318 174.900 -0.005 0.000 1.304 193 G CA -0.869 44.222 45.100 -0.015 0.000 0.948 193 G HN -0.112 nan 8.290 nan 0.000 0.474 194 D N 0.711 121.117 120.400 0.010 0.000 2.493 194 D HA 0.153 4.793 4.640 -0.000 0.000 0.240 194 D C 1.599 177.921 176.300 0.036 0.000 1.142 194 D CA -0.315 53.700 54.000 0.025 0.000 0.872 194 D CB 1.728 42.545 40.800 0.028 0.000 1.173 194 D HN 0.336 nan 8.370 nan 0.000 0.467 195 L N 3.937 125.193 121.223 0.054 0.000 2.127 195 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 195 L C 1.676 178.629 176.870 0.139 0.000 1.089 195 L CA 1.642 56.536 54.840 0.091 0.000 0.757 195 L CB -0.617 41.517 42.059 0.126 0.000 0.899 195 L HN 0.428 nan 8.230 nan 0.000 0.434 196 N N -0.530 118.232 118.700 0.104 0.000 2.609 196 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 196 N C 1.467 177.016 175.510 0.066 0.000 1.157 196 N CA 0.933 54.035 53.050 0.087 0.000 0.918 196 N CB -0.575 37.946 38.487 0.056 0.000 0.978 196 N HN 0.427 nan 8.380 nan 0.000 0.448 197 R N -0.572 119.964 120.500 0.061 0.000 2.299 197 R HA 0.130 4.470 4.340 -0.000 0.000 0.197 197 R C 0.796 177.130 176.300 0.056 0.000 0.971 197 R CA 0.995 57.121 56.100 0.044 0.000 1.030 197 R CB 0.146 30.462 30.300 0.028 0.000 0.932 197 R HN 0.510 nan 8.270 nan 0.000 0.477 198 S N -1.680 114.077 115.700 0.095 0.000 2.733 198 S HA 0.185 4.655 4.470 -0.000 0.000 0.270 198 S C -0.135 174.594 174.600 0.215 0.000 1.062 198 S CA -0.713 57.557 58.200 0.115 0.000 1.256 198 S CB 0.390 63.642 63.200 0.086 0.000 1.187 198 S HN 0.167 nan 8.310 nan 0.000 0.666 199 F N 2.455 122.409 119.950 0.008 0.000 2.605 199 F HA 0.599 5.126 4.527 0.000 0.000 0.320 199 F C -0.230 175.580 175.800 0.017 0.000 1.159 199 F CA -0.021 57.987 58.000 0.013 0.000 0.999 199 F CB 1.952 40.964 39.000 0.020 0.000 1.258 199 F HN 0.118 nan 8.300 nan 0.000 0.464 200 S N 1.938 117.407 115.700 -0.384 0.000 3.067 200 S HA 0.131 4.601 4.470 -0.000 0.000 0.253 200 S C -0.395 173.983 174.600 -0.370 0.000 0.942 200 S CA -0.476 57.555 58.200 -0.282 0.000 1.197 200 S CB -0.515 62.617 63.200 -0.113 0.000 1.143 200 S HN 0.728 nan 8.310 nan 0.000 0.638 201 E N 1.348 121.162 120.200 -0.644 0.000 2.409 201 E HA 0.394 4.744 4.350 -0.000 0.000 0.257 201 E C -0.265 176.155 176.600 -0.301 0.000 1.150 201 E CA -0.528 55.617 56.400 -0.425 0.000 0.942 201 E CB 0.457 29.887 29.700 -0.451 0.000 0.979 201 E HN 0.110 nan 8.360 nan 0.000 0.447 202 S N 1.471 117.076 115.700 -0.158 0.000 2.409 202 S HA 0.102 4.572 4.470 -0.000 0.000 0.308 202 S C 0.798 175.388 174.600 -0.017 0.000 1.080 202 S CA -0.734 57.426 58.200 -0.066 0.000 1.081 202 S CB 0.387 63.562 63.200 -0.042 0.000 1.009 202 S HN 0.484 nan 8.310 nan 0.000 0.502 203 V N 5.221 125.170 119.914 0.059 0.000 2.332 203 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 203 V C 2.558 178.738 176.094 0.144 0.000 1.055 203 V CA 2.385 64.771 62.300 0.143 0.000 1.038 203 V CB -0.796 31.153 31.823 0.210 0.000 0.651 203 V HN 0.959 nan 8.190 nan 0.000 0.450 204 E N 0.100 120.366 120.200 0.110 0.000 2.070 204 E HA -0.301 4.049 4.350 -0.000 0.000 0.197 204 E C 1.833 178.486 176.600 0.088 0.000 1.004 204 E CA 1.900 58.361 56.400 0.103 0.000 0.805 204 E CB -0.136 29.611 29.700 0.078 0.000 0.744 204 E HN 0.605 nan 8.360 nan 0.000 0.451 205 D N -0.217 120.205 120.400 0.036 0.000 2.144 205 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 205 D C 2.007 178.269 176.300 -0.064 0.000 0.978 205 D CA 0.844 54.841 54.000 -0.005 0.000 0.833 205 D CB -0.294 40.490 40.800 -0.027 0.000 0.961 205 D HN 0.190 nan 8.370 nan 0.000 0.470 206 R N -0.463 119.981 120.500 -0.093 0.000 2.073 206 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 206 R C 2.105 178.124 176.300 -0.468 0.000 1.134 206 R CA 1.196 57.118 56.100 -0.297 0.000 0.952 206 R CB -0.369 29.777 30.300 -0.257 0.000 0.850 206 R HN 0.159 nan 8.270 nan 0.000 0.433 207 Y N 0.773 120.927 120.300 -0.243 0.000 2.242 207 Y HA -0.120 4.430 4.550 0.000 0.000 0.291 207 Y C 2.203 178.140 175.900 0.062 0.000 1.137 207 Y CA 1.679 59.703 58.100 -0.127 0.000 1.181 207 Y CB 0.024 38.381 38.460 -0.171 0.000 0.989 207 Y HN 0.060 nan 8.280 nan 0.000 0.527 208 K N -0.412 120.078 120.400 0.150 0.000 2.057 208 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 208 K C 2.361 179.005 176.600 0.073 0.000 1.049 208 K CA 1.086 57.457 56.287 0.140 0.000 0.931 208 K CB -0.371 32.183 32.500 0.091 0.000 0.714 208 K HN 0.269 nan 8.250 nan 0.000 0.440 209 A N 0.758 123.546 122.820 -0.053 0.000 1.908 209 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 209 A C 1.818 179.384 177.584 -0.030 0.000 1.181 209 A CA 1.416 53.394 52.037 -0.099 0.000 0.627 209 A CB -0.757 18.111 19.000 -0.221 0.000 0.818 209 A HN 0.263 nan 8.150 nan 0.000 0.445 210 Y N -0.992 119.314 120.300 0.010 0.000 2.274 210 Y HA 0.173 4.723 4.550 0.000 0.000 0.290 210 Y C 2.116 178.119 175.900 0.172 0.000 1.145 210 Y CA 0.716 58.857 58.100 0.068 0.000 1.203 210 Y CB -0.499 37.986 38.460 0.042 0.000 0.984 210 Y HN 0.513 nan 8.280 nan 0.000 0.533 211 G N -3.279 105.742 108.800 0.370 0.000 2.151 211 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.140 211 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.140 211 G C -0.464 174.619 174.900 0.306 0.000 1.020 211 G CA -0.665 44.594 45.100 0.265 0.000 0.688 211 G HN 0.121 nan 8.290 nan 0.000 0.500 212 W N 1.113 122.514 121.300 0.168 0.000 2.303 212 W HA 0.648 5.308 4.660 -0.000 0.000 0.334 212 W C 0.799 177.404 176.519 0.143 0.000 1.197 212 W CA -0.589 56.868 57.345 0.186 0.000 1.262 212 W CB 0.696 30.360 29.460 0.339 0.000 1.153 212 W HN 0.250 nan 8.180 nan 0.000 0.596 213 Q N 1.557 121.543 119.800 0.309 0.000 2.304 213 Q HA 0.393 4.733 4.340 -0.000 0.000 0.260 213 Q C -1.196 174.975 176.000 0.284 0.000 0.965 213 Q CA -0.012 55.927 55.803 0.227 0.000 0.898 213 Q CB 0.787 29.605 28.738 0.135 0.000 1.196 213 Q HN 0.362 nan 8.270 nan 0.000 0.402 214 V N 6.351 126.391 119.914 0.210 0.000 2.487 214 V HA 0.485 4.605 4.120 -0.000 0.000 0.298 214 V C -0.326 175.837 176.094 0.114 0.000 1.028 214 V CA -0.627 61.778 62.300 0.175 0.000 0.860 214 V CB 1.602 33.521 31.823 0.160 0.000 0.991 214 V HN 0.723 nan 8.190 nan 0.000 0.427 215 I N 4.410 125.037 120.570 0.095 0.000 2.465 215 I HA 0.585 4.755 4.170 -0.000 0.000 0.291 215 I C -0.080 176.064 176.117 0.045 0.000 1.014 215 I CA -0.659 60.677 61.300 0.061 0.000 1.093 215 I CB 2.060 40.088 38.000 0.047 0.000 1.267 215 I HN 0.524 nan 8.210 nan 0.000 0.431 216 R N 4.966 125.484 120.500 0.029 0.000 2.346 216 R HA 0.672 5.012 4.340 -0.000 0.000 0.311 216 R C -1.553 174.746 176.300 -0.002 0.000 0.983 216 R CA -0.496 55.611 56.100 0.012 0.000 0.880 216 R CB 1.623 31.930 30.300 0.012 0.000 1.100 216 R HN 0.469 nan 8.270 nan 0.000 0.453 217 V N 5.285 125.188 119.914 -0.018 0.000 2.334 217 V HA 0.138 4.258 4.120 -0.000 0.000 0.281 217 V C 0.616 176.689 176.094 -0.035 0.000 1.016 217 V CA -0.470 61.815 62.300 -0.025 0.000 0.832 217 V CB 1.439 33.244 31.823 -0.031 0.000 0.999 217 V HN 0.896 nan 8.190 nan 0.000 0.439 218 E N 2.082 122.266 120.200 -0.027 0.000 2.152 218 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 218 E C 0.427 177.005 176.600 -0.036 0.000 0.983 218 E CA 0.737 57.120 56.400 -0.028 0.000 0.818 218 E CB 0.314 30.005 29.700 -0.016 0.000 0.758 218 E HN 0.723 nan 8.360 nan 0.000 0.467 219 D N -0.300 120.076 120.400 -0.041 0.000 2.461 219 D HA 0.177 4.817 4.640 -0.000 0.000 0.240 219 D C 0.962 177.216 176.300 -0.077 0.000 1.094 219 D CA -0.428 53.539 54.000 -0.056 0.000 0.868 219 D CB 0.993 41.764 40.800 -0.047 0.000 1.062 219 D HN -0.010 nan 8.370 nan 0.000 0.530 220 G N 3.225 111.967 108.800 -0.096 0.000 2.498 220 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 220 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 220 G C 1.212 176.023 174.900 -0.147 0.000 1.119 220 G CA 0.131 45.166 45.100 -0.109 0.000 0.766 220 G HN 0.423 nan 8.290 nan 0.000 0.552 221 N N 0.547 119.126 118.700 -0.200 0.000 2.412 221 N HA 0.009 4.749 4.740 -0.000 0.000 0.184 221 N C -0.045 175.386 175.510 -0.132 0.000 1.101 221 N CA 0.181 53.089 53.050 -0.237 0.000 0.881 221 N CB 0.262 38.522 38.487 -0.378 0.000 0.969 221 N HN 0.187 nan 8.380 nan 0.000 0.459 222 D N 1.208 121.555 120.400 -0.088 0.000 2.441 222 D HA 0.063 4.703 4.640 -0.000 0.000 0.221 222 D C 1.529 177.817 176.300 -0.020 0.000 1.156 222 D CA -0.360 53.612 54.000 -0.048 0.000 0.896 222 D CB 0.327 41.105 40.800 -0.036 0.000 1.028 222 D HN 0.224 nan 8.370 nan 0.000 0.509 223 I N 0.593 121.162 120.570 -0.002 0.000 2.676 223 I HA -0.004 4.166 4.170 -0.000 0.000 0.259 223 I C 1.740 177.892 176.117 0.058 0.000 1.194 223 I CA 0.455 61.780 61.300 0.042 0.000 1.473 223 I CB -0.021 38.032 38.000 0.087 0.000 1.096 223 I HN 0.278 nan 8.210 nan 0.000 0.443 224 E N 2.141 122.364 120.200 0.039 0.000 2.077 224 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 224 E C 2.331 178.955 176.600 0.039 0.000 0.989 224 E CA 1.422 57.849 56.400 0.046 0.000 0.800 224 E CB -0.075 29.642 29.700 0.029 0.000 0.746 224 E HN 0.626 nan 8.360 nan 0.000 0.452 225 A N 0.796 123.627 122.820 0.017 0.000 1.933 225 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 225 A C 2.105 179.689 177.584 0.000 0.000 1.175 225 A CA 1.347 53.388 52.037 0.007 0.000 0.628 225 A CB -0.538 18.459 19.000 -0.006 0.000 0.814 225 A HN 0.312 nan 8.150 nan 0.000 0.444 226 I N -0.256 120.315 120.570 0.002 0.000 2.252 226 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 226 I C 2.927 179.016 176.117 -0.046 0.000 1.102 226 I CA 1.033 62.322 61.300 -0.019 0.000 1.385 226 I CB -0.300 37.698 38.000 -0.003 0.000 1.064 226 I HN 0.313 nan 8.210 nan 0.000 0.414 227 A N 0.811 123.660 122.820 0.047 0.000 1.908 227 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 227 A C 2.318 179.925 177.584 0.038 0.000 1.181 227 A CA 1.720 53.845 52.037 0.147 0.000 0.627 227 A CB -0.510 18.702 19.000 0.353 0.000 0.818 227 A HN 0.329 nan 8.150 nan 0.000 0.445 228 K N -0.350 120.077 120.400 0.045 0.000 2.103 228 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 228 K C 2.301 178.880 176.600 -0.034 0.000 1.048 228 K CA 1.150 57.453 56.287 0.026 0.000 0.930 228 K CB -0.343 32.173 32.500 0.028 0.000 0.716 228 K HN 0.466 nan 8.250 nan 0.000 0.444 229 A N 1.569 124.350 122.820 -0.065 0.000 1.873 229 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 229 A C 2.132 179.629 177.584 -0.145 0.000 1.186 229 A CA 1.221 53.214 52.037 -0.072 0.000 0.616 229 A CB -0.533 18.436 19.000 -0.051 0.000 0.823 229 A HN 0.164 nan 8.150 nan 0.000 0.442 230 I N -0.602 119.774 120.570 -0.324 0.000 2.226 230 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 230 I C 2.540 178.385 176.117 -0.452 0.000 1.100 230 I CA 1.710 62.694 61.300 -0.526 0.000 1.374 230 I CB -0.359 36.972 38.000 -1.115 0.000 1.057 230 I HN 0.537 nan 8.210 nan 0.000 0.413 231 E N 1.284 121.268 120.200 -0.360 0.000 2.085 231 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 231 E C 2.129 178.723 176.600 -0.011 0.000 0.994 231 E CA 1.509 57.895 56.400 -0.023 0.000 0.801 231 E CB -0.031 29.753 29.700 0.140 0.000 0.743 231 E HN 0.450 nan 8.360 nan 0.000 0.453 232 E N -0.325 119.861 120.200 -0.022 0.000 2.110 232 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 232 E C 1.903 178.511 176.600 0.014 0.000 0.988 232 E CA 0.953 57.357 56.400 0.006 0.000 0.804 232 E CB -0.115 29.590 29.700 0.007 0.000 0.745 232 E HN 0.365 nan 8.360 nan 0.000 0.458 233 A N 1.266 124.084 122.820 -0.004 0.000 1.898 233 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 233 A C 1.990 179.609 177.584 0.059 0.000 1.181 233 A CA 1.493 53.550 52.037 0.033 0.000 0.620 233 A CB -0.292 18.730 19.000 0.037 0.000 0.819 233 A HN 0.109 nan 8.150 nan 0.000 0.442 234 K N -0.345 120.068 120.400 0.020 0.000 2.211 234 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 234 K C 1.979 178.641 176.600 0.103 0.000 1.050 234 K CA 0.890 57.204 56.287 0.044 0.000 0.945 234 K CB -0.212 32.216 32.500 -0.120 0.000 0.732 234 K HN 0.445 nan 8.250 nan 0.000 0.451 235 A N 1.311 124.171 122.820 0.067 0.000 2.119 235 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 235 A C 0.643 178.262 177.584 0.058 0.000 1.152 235 A CA 0.436 52.512 52.037 0.065 0.000 0.708 235 A CB -0.000 19.029 19.000 0.050 0.000 0.805 235 A HN 0.136 nan 8.150 nan 0.000 0.460 236 D N 0.262 120.697 120.400 0.057 0.000 2.347 236 D HA 0.207 4.847 4.640 -0.000 0.000 0.235 236 D C 0.415 176.734 176.300 0.031 0.000 1.149 236 D CA -0.064 53.959 54.000 0.038 0.000 0.850 236 D CB 0.823 41.644 40.800 0.034 0.000 1.061 236 D HN 0.391 nan 8.370 nan 0.000 0.487 237 E N 2.233 122.442 120.200 0.016 0.000 2.400 237 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 237 E C 0.956 177.533 176.600 -0.037 0.000 1.012 237 E CA 0.369 56.766 56.400 -0.004 0.000 0.875 237 E CB 0.604 30.306 29.700 0.003 0.000 0.859 237 E HN 0.233 nan 8.360 nan 0.000 0.498 238 K N 0.008 120.384 120.400 -0.039 0.000 2.355 238 K HA 0.181 4.501 4.320 -0.000 0.000 0.198 238 K C -0.099 176.448 176.600 -0.087 0.000 1.039 238 K CA 0.124 56.376 56.287 -0.058 0.000 1.075 238 K CB 0.718 33.189 32.500 -0.049 0.000 0.870 238 K HN -0.145 nan 8.250 nan 0.000 0.540 239 R N 0.854 121.298 120.500 -0.093 0.000 2.621 239 R HA 0.329 4.669 4.340 -0.000 0.000 0.292 239 R C -2.723 173.433 176.300 -0.240 0.000 0.969 239 R CA -2.273 53.738 56.100 -0.148 0.000 0.887 239 R CB 1.531 31.798 30.300 -0.054 0.000 1.180 239 R HN -0.087 nan 8.270 nan 0.000 0.450 240 P HA 0.017 nan 4.420 nan 0.000 0.269 240 P C -0.698 176.368 177.300 -0.391 0.000 1.215 240 P CA -0.047 62.623 63.100 -0.717 0.000 0.780 240 P CB 0.781 31.519 31.700 -1.604 0.000 0.898 241 T N 2.411 116.933 114.554 -0.053 0.000 2.841 241 T HA 0.452 4.802 4.350 -0.000 0.000 0.283 241 T C -0.446 174.563 174.700 0.515 0.000 1.000 241 T CA -0.388 61.874 62.100 0.269 0.000 0.977 241 T CB 0.932 69.889 68.868 0.149 0.000 0.979 241 T HN 0.237 nan 8.240 nan 0.000 0.446 242 L N 4.302 125.827 121.223 0.503 0.000 2.305 242 L HA 0.631 4.971 4.340 -0.000 0.000 0.284 242 L C -1.105 175.855 176.870 0.150 0.000 1.013 242 L CA -0.521 54.458 54.840 0.232 0.000 0.819 242 L CB 0.599 42.572 42.059 -0.143 0.000 1.227 242 L HN 0.636 nan 8.230 nan 0.000 0.417 243 I N 4.679 125.328 120.570 0.130 0.000 2.306 243 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 243 I C 0.026 176.194 176.117 0.084 0.000 1.036 243 I CA -0.401 60.953 61.300 0.089 0.000 1.221 243 I CB 1.234 39.272 38.000 0.063 0.000 1.385 243 I HN 0.641 nan 8.210 nan 0.000 0.472 244 E N 6.768 127.006 120.200 0.064 0.000 2.105 244 E HA 0.290 4.640 4.350 -0.000 0.000 0.285 244 E C -1.218 175.324 176.600 -0.096 0.000 1.055 244 E CA -0.477 55.918 56.400 -0.008 0.000 0.843 244 E CB 0.931 30.648 29.700 0.027 0.000 1.067 244 E HN 0.378 nan 8.360 nan 0.000 0.398 245 V N 6.521 126.342 119.914 -0.154 0.000 2.328 245 V HA 0.288 4.408 4.120 -0.000 0.000 0.278 245 V C 0.134 176.128 176.094 -0.166 0.000 1.021 245 V CA -0.869 61.360 62.300 -0.119 0.000 0.838 245 V CB 1.076 32.856 31.823 -0.072 0.000 0.999 245 V HN 0.623 nan 8.190 nan 0.000 0.447 246 R N 3.737 124.161 120.500 -0.127 0.000 2.242 246 R HA 0.391 4.731 4.340 -0.000 0.000 0.334 246 R C 0.418 176.666 176.300 -0.087 0.000 1.071 246 R CA -0.025 56.005 56.100 -0.116 0.000 0.922 246 R CB 0.798 31.051 30.300 -0.077 0.000 1.023 246 R HN 0.897 nan 8.270 nan 0.000 0.458 247 T N -1.579 112.927 114.554 -0.080 0.000 2.926 247 T HA 0.454 4.804 4.350 -0.000 0.000 0.289 247 T C 0.021 174.725 174.700 0.006 0.000 1.054 247 T CA -0.699 61.372 62.100 -0.048 0.000 1.015 247 T CB 1.996 70.837 68.868 -0.045 0.000 1.167 247 T HN 0.233 nan 8.240 nan 0.000 0.526 248 T N 1.975 116.565 114.554 0.060 0.000 2.743 248 T HA 0.436 4.786 4.350 -0.000 0.000 0.292 248 T C 0.272 175.060 174.700 0.146 0.000 0.972 248 T CA -0.519 61.658 62.100 0.129 0.000 0.967 248 T CB 0.250 69.266 68.868 0.246 0.000 0.926 248 T HN 0.682 nan 8.240 nan 0.000 0.459 249 I N 2.703 123.338 120.570 0.108 0.000 2.752 249 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 249 I C 1.217 177.405 176.117 0.119 0.000 1.188 249 I CA 1.050 62.418 61.300 0.113 0.000 1.427 249 I CB 0.231 38.297 38.000 0.110 0.000 1.365 249 I HN 0.936 nan 8.210 nan 0.000 0.585 250 G N 5.938 114.809 108.800 0.118 0.000 2.249 250 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.273 250 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.273 250 G C 0.194 175.157 174.900 0.105 0.000 1.036 250 G CA 0.200 45.354 45.100 0.090 0.000 0.824 250 G HN 0.708 nan 8.290 nan 0.000 0.504 251 F N 0.668 120.651 119.950 0.055 0.000 2.623 251 F HA 0.342 4.869 4.527 -0.000 0.000 0.386 251 F C 1.551 177.431 175.800 0.134 0.000 1.068 251 F CA 1.836 59.883 58.000 0.078 0.000 1.265 251 F CB 0.399 39.448 39.000 0.082 0.000 1.026 251 F HN 1.069 nan 8.300 nan 0.000 0.568 252 G N 2.946 111.247 108.800 -0.832 0.000 2.313 252 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 252 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 252 G C 0.363 174.948 174.900 -0.525 0.000 1.023 252 G CA 0.019 44.685 45.100 -0.724 0.000 0.626 252 G HN 1.071 nan 8.290 nan 0.000 0.503 253 S N 2.416 117.917 115.700 -0.331 0.000 2.455 253 S HA 0.544 5.014 4.470 -0.000 0.000 0.278 253 S C -0.331 174.154 174.600 -0.191 0.000 1.216 253 S CA -0.418 57.642 58.200 -0.235 0.000 1.055 253 S CB 1.419 64.533 63.200 -0.142 0.000 0.939 253 S HN 0.114 nan 8.310 nan 0.000 0.494 254 P HA -0.046 nan 4.420 nan 0.000 0.216 254 P C 0.724 177.969 177.300 -0.091 0.000 1.150 254 P CA 1.142 64.162 63.100 -0.133 0.000 0.837 254 P CB 0.134 31.765 31.700 -0.116 0.000 0.786 255 N N -1.455 117.197 118.700 -0.082 0.000 2.356 255 N HA 0.056 4.796 4.740 -0.000 0.000 0.178 255 N C 1.200 176.684 175.510 -0.043 0.000 1.075 255 N CA 0.588 53.605 53.050 -0.055 0.000 0.889 255 N CB 0.267 38.724 38.487 -0.050 0.000 0.999 255 N HN 0.248 nan 8.380 nan 0.000 0.464 256 K N 0.637 121.007 120.400 -0.050 0.000 2.380 256 K HA 0.139 4.459 4.320 -0.000 0.000 0.198 256 K C 0.324 176.915 176.600 -0.016 0.000 1.070 256 K CA -0.092 56.179 56.287 -0.028 0.000 1.040 256 K CB 0.788 33.272 32.500 -0.026 0.000 0.903 256 K HN 0.018 nan 8.250 nan 0.000 0.549 257 S N 0.105 115.785 115.700 -0.035 0.000 2.560 257 S HA 0.260 4.730 4.470 -0.000 0.000 0.284 257 S C 1.185 175.794 174.600 0.016 0.000 1.327 257 S CA 0.288 58.482 58.200 -0.010 0.000 1.055 257 S CB 0.827 63.996 63.200 -0.051 0.000 0.868 257 S HN 0.478 nan 8.310 nan 0.000 0.506 258 G N 1.723 110.550 108.800 0.046 0.000 2.155 258 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 258 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 258 G C -0.177 174.745 174.900 0.037 0.000 0.983 258 G CA 0.635 45.762 45.100 0.046 0.000 0.676 258 G HN 0.860 nan 8.290 nan 0.000 0.528 259 K N -0.365 120.057 120.400 0.036 0.000 2.385 259 K HA 0.581 4.901 4.320 -0.000 0.000 0.248 259 K C 1.473 178.101 176.600 0.047 0.000 0.955 259 K CA -0.177 56.129 56.287 0.032 0.000 0.816 259 K CB 1.627 34.137 32.500 0.018 0.000 1.250 259 K HN 0.238 nan 8.250 nan 0.000 0.434 260 S N 0.249 115.972 115.700 0.038 0.000 2.469 260 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 260 S C 1.903 176.546 174.600 0.070 0.000 0.998 260 S CA 1.004 59.233 58.200 0.049 0.000 0.957 260 S CB -0.362 62.840 63.200 0.003 0.000 0.764 260 S HN 0.657 nan 8.310 nan 0.000 0.514 261 A N 2.228 125.074 122.820 0.043 0.000 2.024 261 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 261 A C 2.457 180.067 177.584 0.043 0.000 1.164 261 A CA 1.915 53.972 52.037 0.035 0.000 0.643 261 A CB -1.120 17.888 19.000 0.013 0.000 0.806 261 A HN 0.893 nan 8.150 nan 0.000 0.451 262 S N -1.641 114.092 115.700 0.056 0.000 2.562 262 S HA -0.063 4.407 4.470 -0.000 0.000 0.221 262 S C 1.589 176.237 174.600 0.079 0.000 0.975 262 S CA 0.890 59.119 58.200 0.048 0.000 0.918 262 S CB -0.620 62.606 63.200 0.043 0.000 0.772 262 S HN 0.788 nan 8.310 nan 0.000 0.531 263 H N 1.976 121.066 119.070 0.033 0.000 2.293 263 H HA 0.132 4.688 4.556 0.000 0.000 0.300 263 H C 1.719 177.097 175.328 0.083 0.000 1.082 263 H CA 2.033 58.120 56.048 0.066 0.000 1.308 263 H CB -0.543 29.240 29.762 0.034 0.000 1.375 263 H HN 0.476 nan 8.280 nan 0.000 0.495 264 G N -1.058 107.749 108.800 0.012 0.000 3.829 264 G HA2 0.292 4.252 3.960 -0.000 0.000 0.279 264 G HA3 0.292 4.252 3.960 -0.000 0.000 0.279 264 G C -0.816 173.921 174.900 -0.271 0.000 1.008 264 G CA 0.267 45.253 45.100 -0.190 0.000 0.840 264 G HN 0.584 nan 8.290 nan 0.000 0.474 265 S N -0.755 114.856 115.700 -0.148 0.000 2.638 265 S HA 0.749 5.219 4.470 -0.000 0.000 0.274 265 S C -3.460 171.099 174.600 -0.068 0.000 1.157 265 S CA -1.447 56.687 58.200 -0.111 0.000 0.826 265 S CB 2.202 65.368 63.200 -0.057 0.000 1.139 265 S HN -0.124 nan 8.310 nan 0.000 0.474 266 P HA 0.198 nan 4.420 nan 0.000 0.266 266 P C 0.807 178.089 177.300 -0.030 0.000 1.195 266 P CA -0.293 62.792 63.100 -0.025 0.000 0.768 266 P CB 0.284 31.979 31.700 -0.007 0.000 0.838 267 L N 1.459 122.659 121.223 -0.038 0.000 2.079 267 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 267 L C 1.271 178.117 176.870 -0.040 0.000 1.081 267 L CA 1.664 56.477 54.840 -0.044 0.000 0.752 267 L CB -1.067 40.954 42.059 -0.064 0.000 0.896 267 L HN 0.757 nan 8.230 nan 0.000 0.433 268 G N -2.147 106.632 108.800 -0.036 0.000 2.587 268 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 268 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 268 G C 0.079 174.958 174.900 -0.034 0.000 1.236 268 G CA -0.530 44.553 45.100 -0.029 0.000 0.820 268 G HN -0.227 nan 8.290 nan 0.000 0.645 269 V N 0.791 120.691 119.914 -0.024 0.000 2.261 269 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 269 V C 2.722 178.797 176.094 -0.031 0.000 1.047 269 V CA 2.783 65.070 62.300 -0.023 0.000 1.015 269 V CB -0.476 31.340 31.823 -0.011 0.000 0.642 269 V HN 0.760 nan 8.190 nan 0.000 0.446 270 E N -0.228 119.954 120.200 -0.030 0.000 2.072 270 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 270 E C 2.189 178.758 176.600 -0.052 0.000 0.985 270 E CA 1.156 57.535 56.400 -0.035 0.000 0.801 270 E CB -0.269 29.414 29.700 -0.030 0.000 0.750 270 E HN 0.631 nan 8.360 nan 0.000 0.452 271 E N 0.551 120.717 120.200 -0.057 0.000 2.110 271 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 271 E C 1.911 178.450 176.600 -0.102 0.000 0.988 271 E CA 1.502 57.856 56.400 -0.077 0.000 0.804 271 E CB -0.247 29.411 29.700 -0.070 0.000 0.745 271 E HN 0.100 nan 8.360 nan 0.000 0.458 272 T N 0.611 115.111 114.554 -0.090 0.000 2.746 272 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 272 T C 1.617 176.253 174.700 -0.107 0.000 1.039 272 T CA 1.680 63.716 62.100 -0.108 0.000 1.142 272 T CB -0.161 68.652 68.868 -0.091 0.000 0.866 272 T HN 0.212 nan 8.240 nan 0.000 0.444 273 K N 0.799 121.156 120.400 -0.072 0.000 2.057 273 K HA 0.034 4.354 4.320 -0.000 0.000 0.207 273 K C 2.250 178.804 176.600 -0.077 0.000 1.049 273 K CA 1.029 57.285 56.287 -0.051 0.000 0.931 273 K CB -0.380 32.102 32.500 -0.030 0.000 0.714 273 K HN 0.291 nan 8.250 nan 0.000 0.440 274 L N 0.746 121.910 121.223 -0.098 0.000 2.131 274 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 274 L C 2.332 179.083 176.870 -0.198 0.000 1.092 274 L CA 1.132 55.900 54.840 -0.120 0.000 0.759 274 L CB -0.696 41.297 42.059 -0.110 0.000 0.903 274 L HN 0.233 nan 8.230 nan 0.000 0.435 275 T N -0.599 113.798 114.554 -0.261 0.000 2.770 275 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 275 T C 1.931 176.265 174.700 -0.609 0.000 1.039 275 T CA 1.076 62.887 62.100 -0.482 0.000 1.142 275 T CB -0.027 68.571 68.868 -0.450 0.000 0.868 275 T HN 0.249 nan 8.240 nan 0.000 0.435 276 K N 0.951 121.168 120.400 -0.304 0.000 2.063 276 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 276 K C 2.396 179.018 176.600 0.037 0.000 1.048 276 K CA 1.334 57.584 56.287 -0.061 0.000 0.928 276 K CB -0.126 32.428 32.500 0.090 0.000 0.713 276 K HN 0.421 nan 8.250 nan 0.000 0.442 277 E N 0.528 120.709 120.200 -0.031 0.000 2.097 277 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 277 E C 1.877 178.460 176.600 -0.028 0.000 1.000 277 E CA 1.244 57.638 56.400 -0.010 0.000 0.804 277 E CB -0.049 29.626 29.700 -0.042 0.000 0.740 277 E HN 0.360 nan 8.360 nan 0.000 0.454 278 A N -0.024 122.707 122.820 -0.149 0.000 1.969 278 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 278 A C 1.533 179.125 177.584 0.013 0.000 1.169 278 A CA 1.012 52.959 52.037 -0.150 0.000 0.635 278 A CB -0.569 18.235 19.000 -0.327 0.000 0.810 278 A HN 0.373 nan 8.150 nan 0.000 0.445 279 Y N -1.019 119.302 120.300 0.036 0.000 2.578 279 Y HA 0.339 4.889 4.550 -0.000 0.000 0.297 279 Y C 1.709 177.707 175.900 0.164 0.000 1.176 279 Y CA -0.426 57.741 58.100 0.111 0.000 1.315 279 Y CB -1.043 37.492 38.460 0.124 0.000 1.031 279 Y HN 0.488 nan 8.280 nan 0.000 0.524 280 A N -0.563 122.413 122.820 0.260 0.000 2.745 280 A HA -0.249 4.071 4.320 -0.000 0.000 0.296 280 A C 0.274 178.001 177.584 0.237 0.000 1.500 280 A CA 0.670 52.823 52.037 0.193 0.000 0.766 280 A CB -2.132 16.966 19.000 0.163 0.000 1.030 280 A HN 0.623 nan 8.150 nan 0.000 0.489 281 W N 1.444 122.801 121.300 0.094 0.000 2.332 281 W HA 0.424 5.084 4.660 -0.000 0.000 0.306 281 W C 0.876 177.399 176.519 0.007 0.000 1.149 281 W CA 0.362 57.748 57.345 0.070 0.000 1.271 281 W CB 1.039 30.578 29.460 0.133 0.000 1.243 281 W HN 0.743 nan 8.180 nan 0.000 0.459 282 T N 2.054 116.430 114.554 -0.297 0.000 3.044 282 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 282 T C 0.923 175.434 174.700 -0.315 0.000 1.081 282 T CA 0.083 62.047 62.100 -0.227 0.000 1.040 282 T CB 0.115 68.857 68.868 -0.210 0.000 0.962 282 T HN 0.426 nan 8.240 nan 0.000 0.506 283 A N 1.700 124.145 122.820 -0.626 0.000 2.520 283 A HA 0.259 4.579 4.320 -0.000 0.000 0.245 283 A C 1.081 178.593 177.584 -0.120 0.000 1.072 283 A CA -0.285 51.445 52.037 -0.511 0.000 0.761 283 A CB 0.100 18.596 19.000 -0.840 0.000 1.004 283 A HN 0.567 nan 8.150 nan 0.000 0.499 284 E N 0.930 121.077 120.200 -0.088 0.000 2.230 284 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 284 E C 0.069 176.704 176.600 0.058 0.000 0.987 284 E CA 0.331 56.733 56.400 0.004 0.000 0.841 284 E CB 0.107 29.800 29.700 -0.011 0.000 0.783 284 E HN 0.716 nan 8.360 nan 0.000 0.481 285 Q N 1.619 121.464 119.800 0.075 0.000 2.259 285 Q HA 0.144 4.484 4.340 -0.000 0.000 0.249 285 Q C -0.409 175.716 176.000 0.208 0.000 0.914 285 Q CA -0.107 55.780 55.803 0.139 0.000 0.904 285 Q CB 0.774 29.608 28.738 0.160 0.000 1.213 285 Q HN 0.048 nan 8.270 nan 0.000 0.428 286 D N 0.876 121.392 120.400 0.193 0.000 2.368 286 D HA 0.076 4.716 4.640 -0.000 0.000 0.240 286 D C 0.117 176.606 176.300 0.315 0.000 1.169 286 D CA 0.006 54.093 54.000 0.146 0.000 0.906 286 D CB 0.299 41.154 40.800 0.091 0.000 1.187 286 D HN 0.454 nan 8.370 nan 0.000 0.435 287 F N -1.102 118.937 119.950 0.147 0.000 3.074 287 F HA -0.245 4.282 4.527 0.000 0.000 0.289 287 F C 0.509 176.425 175.800 0.194 0.000 0.863 287 F CA 0.267 58.338 58.000 0.119 0.000 1.121 287 F CB -2.445 36.591 39.000 0.060 0.000 1.169 287 F HN 0.450 nan 8.300 nan 0.000 0.570 288 H N 0.155 119.420 119.070 0.325 0.000 2.690 288 H HA 0.619 5.175 4.556 -0.000 0.000 0.314 288 H C -0.711 174.812 175.328 0.325 0.000 1.069 288 H CA -0.292 55.941 56.048 0.309 0.000 1.436 288 H CB 0.838 30.765 29.762 0.276 0.000 1.462 288 H HN 0.004 nan 8.280 nan 0.000 0.511 289 V N 4.764 124.487 119.914 -0.319 0.000 2.531 289 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 289 V C 0.062 175.865 176.094 -0.485 0.000 1.034 289 V CA -0.658 61.465 62.300 -0.296 0.000 0.865 289 V CB 1.377 33.028 31.823 -0.287 0.000 0.995 289 V HN 1.089 nan 8.190 nan 0.000 0.424 290 A N 2.509 125.139 122.820 -0.317 0.000 2.425 290 A HA 0.426 4.746 4.320 -0.000 0.000 0.249 290 A C 1.222 178.777 177.584 -0.049 0.000 1.084 290 A CA 0.052 52.006 52.037 -0.139 0.000 0.781 290 A CB 0.397 19.391 19.000 -0.011 0.000 1.019 290 A HN 1.004 nan 8.150 nan 0.000 0.490 291 E N 1.325 121.563 120.200 0.064 0.000 2.118 291 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 291 E C 1.693 178.380 176.600 0.145 0.000 0.992 291 E CA 2.272 58.780 56.400 0.179 0.000 0.804 291 E CB -0.222 29.560 29.700 0.136 0.000 0.741 291 E HN 0.865 nan 8.360 nan 0.000 0.458 292 E N -0.470 119.779 120.200 0.081 0.000 2.265 292 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 292 E C 1.939 178.595 176.600 0.093 0.000 0.996 292 E CA 1.244 57.691 56.400 0.077 0.000 0.832 292 E CB -0.183 29.546 29.700 0.048 0.000 0.756 292 E HN 0.175 nan 8.360 nan 0.000 0.491 293 V N 0.713 120.668 119.914 0.067 0.000 2.323 293 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 293 V C 1.936 178.169 176.094 0.231 0.000 1.041 293 V CA 1.780 64.148 62.300 0.115 0.000 1.025 293 V CB -0.801 31.037 31.823 0.026 0.000 0.656 293 V HN 0.245 nan 8.190 nan 0.000 0.451 294 Y N 0.756 121.169 120.300 0.189 0.000 2.193 294 Y HA -0.268 4.282 4.550 0.000 0.000 0.285 294 Y C 2.577 178.580 175.900 0.171 0.000 1.166 294 Y CA 1.955 60.147 58.100 0.153 0.000 1.181 294 Y CB -0.560 37.929 38.460 0.048 0.000 0.976 294 Y HN 0.319 nan 8.280 nan 0.000 0.520 295 E N 0.332 120.693 120.200 0.268 0.000 2.106 295 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 295 E C 1.988 178.675 176.600 0.144 0.000 0.984 295 E CA 1.238 57.740 56.400 0.169 0.000 0.806 295 E CB -0.381 29.387 29.700 0.114 0.000 0.750 295 E HN 0.345 nan 8.360 nan 0.000 0.458 296 N N -0.573 118.213 118.700 0.144 0.000 2.061 296 N HA -0.184 4.556 4.740 -0.000 0.000 0.193 296 N C 1.444 176.974 175.510 0.033 0.000 1.030 296 N CA 1.687 54.775 53.050 0.063 0.000 0.856 296 N CB -0.434 38.072 38.487 0.031 0.000 1.023 296 N HN 0.199 nan 8.380 nan 0.000 0.424 297 F N 0.391 120.416 119.950 0.124 0.000 2.234 297 F HA 0.095 4.622 4.527 -0.000 0.000 0.299 297 F C 2.623 178.467 175.800 0.073 0.000 1.087 297 F CA 0.724 58.799 58.000 0.126 0.000 1.340 297 F CB -0.247 38.857 39.000 0.174 0.000 1.031 297 F HN 0.040 nan 8.300 nan 0.000 0.500 298 R N 0.838 121.480 120.500 0.237 0.000 2.073 298 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 298 R C 2.115 178.444 176.300 0.049 0.000 1.134 298 R CA 1.521 57.692 56.100 0.117 0.000 0.952 298 R CB -0.073 30.286 30.300 0.099 0.000 0.850 298 R HN 0.175 nan 8.270 nan 0.000 0.433 299 K N -0.792 119.631 120.400 0.038 0.000 2.062 299 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 299 K C 2.057 178.638 176.600 -0.032 0.000 1.051 299 K CA 1.791 58.076 56.287 -0.003 0.000 0.941 299 K CB -0.026 32.471 32.500 -0.005 0.000 0.719 299 K HN 0.387 nan 8.250 nan 0.000 0.440 300 T N -1.957 112.570 114.554 -0.045 0.000 3.035 300 T HA 0.046 4.396 4.350 -0.000 0.000 0.259 300 T C 1.937 176.585 174.700 -0.087 0.000 1.078 300 T CA 0.399 62.443 62.100 -0.093 0.000 1.132 300 T CB 0.100 68.868 68.868 -0.166 0.000 0.900 300 T HN -0.103 nan 8.240 nan 0.000 0.480 301 V N 0.599 120.487 119.914 -0.044 0.000 2.840 301 V HA 0.112 4.232 4.120 -0.000 0.000 0.234 301 V C 2.716 178.716 176.094 -0.157 0.000 1.159 301 V CA 0.379 62.609 62.300 -0.117 0.000 1.194 301 V CB -0.461 31.355 31.823 -0.011 0.000 0.971 301 V HN 0.248 nan 8.190 nan 0.000 0.494 302 Q N 0.387 120.138 119.800 -0.081 0.000 2.020 302 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 302 Q C 1.947 177.884 176.000 -0.106 0.000 0.982 302 Q CA 2.020 57.756 55.803 -0.112 0.000 0.838 302 Q CB -0.195 28.502 28.738 -0.068 0.000 0.899 302 Q HN 0.572 nan 8.270 nan 0.000 0.423 303 D N -0.091 120.267 120.400 -0.071 0.000 2.117 303 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 303 D C 2.009 178.265 176.300 -0.073 0.000 0.982 303 D CA 0.832 54.794 54.000 -0.065 0.000 0.828 303 D CB -0.168 40.606 40.800 -0.043 0.000 0.967 303 D HN 0.026 nan 8.370 nan 0.000 0.464 304 V N 0.892 120.760 119.914 -0.076 0.000 2.295 304 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 304 V C 2.515 178.568 176.094 -0.067 0.000 1.049 304 V CA 2.089 64.349 62.300 -0.066 0.000 1.024 304 V CB -0.975 30.806 31.823 -0.071 0.000 0.648 304 V HN 0.255 nan 8.190 nan 0.000 0.447 305 G N -0.808 107.927 108.800 -0.107 0.000 2.408 305 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 305 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 305 G C 1.459 176.247 174.900 -0.186 0.000 1.150 305 G CA 0.715 45.751 45.100 -0.107 0.000 0.776 305 G HN 0.564 nan 8.290 nan 0.000 0.542 306 E N 0.000 120.095 120.200 -0.175 0.000 2.077 306 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 306 E C 2.762 179.264 176.600 -0.163 0.000 0.989 306 E CA 1.417 57.705 56.400 -0.188 0.000 0.800 306 E CB -0.255 29.361 29.700 -0.140 0.000 0.746 306 E HN 0.319 nan 8.360 nan 0.000 0.452 307 T N 1.106 115.596 114.554 -0.106 0.000 2.684 307 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 307 T C 2.018 176.686 174.700 -0.054 0.000 1.036 307 T CA 1.361 63.421 62.100 -0.066 0.000 1.148 307 T CB -0.248 68.598 68.868 -0.036 0.000 0.863 307 T HN 0.260 nan 8.240 nan 0.000 0.436 308 A N 1.050 123.840 122.820 -0.050 0.000 1.902 308 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 308 A C 2.258 179.781 177.584 -0.101 0.000 1.181 308 A CA 2.004 54.064 52.037 0.038 0.000 0.623 308 A CB -0.767 18.347 19.000 0.190 0.000 0.818 308 A HN 0.567 nan 8.150 nan 0.000 0.443 309 Q N -0.667 118.818 119.800 -0.524 0.000 2.119 309 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 309 Q C 2.121 177.964 176.000 -0.262 0.000 0.972 309 Q CA 1.481 56.763 55.803 -0.869 0.000 0.847 309 Q CB -0.355 27.673 28.738 -1.184 0.000 0.903 309 Q HN 0.598 nan 8.270 nan 0.000 0.433 310 A N 0.838 123.558 122.820 -0.166 0.000 1.877 310 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 310 A C 1.801 179.396 177.584 0.018 0.000 1.186 310 A CA 1.728 53.729 52.037 -0.061 0.000 0.620 310 A CB -0.576 18.388 19.000 -0.060 0.000 0.822 310 A HN 0.546 nan 8.150 nan 0.000 0.443 311 E N -1.833 118.398 120.200 0.050 0.000 2.110 311 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 311 E C 1.755 178.460 176.600 0.176 0.000 0.988 311 E CA 1.273 57.734 56.400 0.101 0.000 0.804 311 E CB -0.241 29.526 29.700 0.110 0.000 0.745 311 E HN 0.857 nan 8.360 nan 0.000 0.458 312 W N 2.242 123.582 121.300 0.067 0.000 2.381 312 W HA -0.126 4.534 4.660 -0.000 0.000 0.301 312 W C 1.726 178.310 176.519 0.109 0.000 1.205 312 W CA 1.286 58.727 57.345 0.160 0.000 1.285 312 W CB -0.095 29.586 29.460 0.368 0.000 1.133 312 W HN -0.036 nan 8.180 nan 0.000 0.521 313 N N -0.078 118.721 118.700 0.164 0.000 2.120 313 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 313 N C 0.938 176.397 175.510 -0.085 0.000 1.024 313 N CA 1.650 54.693 53.050 -0.012 0.000 0.852 313 N CB -1.133 37.380 38.487 0.043 0.000 1.003 313 N HN 0.034 nan 8.380 nan 0.000 0.424 317 G N 0.056 108.794 108.800 -0.102 0.000 2.421 317 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 317 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 317 G C 1.100 175.980 174.900 -0.034 0.000 1.171 317 G CA 1.148 46.215 45.100 -0.054 0.000 0.775 317 G HN 0.510 nan 8.290 nan 0.000 0.543 318 E N -0.692 119.512 120.200 0.008 0.000 2.072 318 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 318 E C 2.103 178.618 176.600 -0.141 0.000 0.985 318 E CA 0.875 57.304 56.400 0.047 0.000 0.801 318 E CB -0.278 29.566 29.700 0.241 0.000 0.750 318 E HN 0.529 nan 8.360 nan 0.000 0.452 319 Y N 1.485 121.488 120.300 -0.496 0.000 2.128 319 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 319 Y C 2.221 177.915 175.900 -0.344 0.000 1.154 319 Y CA 1.559 59.170 58.100 -0.815 0.000 1.149 319 Y CB -0.420 37.708 38.460 -0.554 0.000 0.976 319 Y HN -0.008 nan 8.280 nan 0.000 0.505 320 A N -0.496 122.222 122.820 -0.170 0.000 2.015 320 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 320 A C 2.093 179.566 177.584 -0.186 0.000 1.163 320 A CA 1.672 53.596 52.037 -0.188 0.000 0.646 320 A CB -0.656 18.295 19.000 -0.082 0.000 0.806 320 A HN 0.561 nan 8.150 nan 0.000 0.448 321 Q N -0.464 119.240 119.800 -0.160 0.000 2.083 321 Q HA 0.099 4.439 4.340 -0.000 0.000 0.198 321 Q C 2.097 177.982 176.000 -0.191 0.000 0.969 321 Q CA 1.779 57.502 55.803 -0.133 0.000 0.838 321 Q CB -0.458 28.232 28.738 -0.079 0.000 0.900 321 Q HN 0.569 nan 8.270 nan 0.000 0.436 322 A N -1.358 121.306 122.820 -0.260 0.000 1.970 322 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 322 A C 0.046 177.222 177.584 -0.680 0.000 1.170 322 A CA 0.831 52.630 52.037 -0.398 0.000 0.645 322 A CB -0.053 18.772 19.000 -0.291 0.000 0.816 322 A HN 0.394 nan 8.150 nan 0.000 0.447 323 Y N -1.470 118.594 120.300 -0.393 0.000 2.535 323 Y HA 0.305 4.855 4.550 -0.000 0.000 0.351 323 Y C -2.154 173.525 175.900 -0.368 0.000 1.050 323 Y CA -1.849 56.017 58.100 -0.390 0.000 1.168 323 Y CB 1.054 39.169 38.460 -0.575 0.000 1.116 323 Y HN 0.170 nan 8.280 nan 0.000 0.654 324 P HA -0.155 nan 4.420 nan 0.000 0.216 324 P C 1.085 178.342 177.300 -0.071 0.000 1.153 324 P CA 1.672 64.703 63.100 -0.115 0.000 0.848 324 P CB 0.524 32.169 31.700 -0.092 0.000 0.787 325 E N -0.963 119.214 120.200 -0.038 0.000 2.072 325 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 325 E C 1.922 178.534 176.600 0.020 0.000 0.982 325 E CA 0.564 56.961 56.400 -0.006 0.000 0.803 325 E CB -0.679 29.025 29.700 0.007 0.000 0.755 325 E HN 0.071 nan 8.360 nan 0.000 0.453 326 L N 1.269 122.507 121.223 0.024 0.000 2.012 326 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 326 L C 2.268 179.196 176.870 0.096 0.000 1.073 326 L CA 2.053 56.943 54.840 0.083 0.000 0.748 326 L CB -0.706 41.367 42.059 0.023 0.000 0.891 326 L HN 0.035 nan 8.230 nan 0.000 0.431 327 A N -1.071 121.707 122.820 -0.071 0.000 1.972 327 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 327 A C 2.227 179.811 177.584 0.000 0.000 1.169 327 A CA 1.850 53.881 52.037 -0.010 0.000 0.635 327 A CB -0.770 18.151 19.000 -0.132 0.000 0.810 327 A HN 0.633 nan 8.150 nan 0.000 0.446 328 N N -0.741 117.953 118.700 -0.010 0.000 2.216 328 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 328 N C 1.868 177.384 175.510 0.009 0.000 1.017 328 N CA 1.294 54.340 53.050 -0.006 0.000 0.861 328 N CB -0.107 38.376 38.487 -0.006 0.000 0.986 328 N HN 0.726 nan 8.380 nan 0.000 0.428 329 E N 0.757 120.989 120.200 0.053 0.000 2.077 329 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 329 E C 2.113 178.736 176.600 0.039 0.000 0.989 329 E CA 0.707 57.162 56.400 0.093 0.000 0.800 329 E CB -0.007 29.805 29.700 0.187 0.000 0.746 329 E HN 0.135 nan 8.360 nan 0.000 0.452 330 L N 1.348 122.529 121.223 -0.070 0.000 2.017 330 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 330 L C 2.460 179.161 176.870 -0.281 0.000 1.073 330 L CA 1.984 56.562 54.840 -0.437 0.000 0.745 330 L CB -0.698 40.997 42.059 -0.607 0.000 0.894 330 L HN 0.130 nan 8.230 nan 0.000 0.432 331 Q N -0.348 119.359 119.800 -0.155 0.000 2.096 331 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 331 Q C 2.175 178.116 176.000 -0.098 0.000 0.982 331 Q CA 2.221 57.951 55.803 -0.121 0.000 0.850 331 Q CB -0.508 28.194 28.738 -0.061 0.000 0.901 331 Q HN 0.628 nan 8.270 nan 0.000 0.422 332 A N 0.475 123.259 122.820 -0.060 0.000 1.877 332 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 332 A C 1.440 179.000 177.584 -0.040 0.000 1.186 332 A CA 1.200 53.219 52.037 -0.031 0.000 0.620 332 A CB -1.396 17.602 19.000 -0.003 0.000 0.822 332 A HN 0.528 nan 8.150 nan 0.000 0.443 336 G N 1.722 110.532 108.800 0.016 0.000 2.198 336 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 336 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 336 G C -0.206 174.701 174.900 0.011 0.000 1.025 336 G CA 0.447 45.564 45.100 0.029 0.000 0.769 336 G HN 0.247 nan 8.290 nan 0.000 0.507 337 L N 0.099 121.323 121.223 0.002 0.000 2.276 337 L HA 0.540 4.880 4.340 -0.000 0.000 0.286 337 L C 1.044 177.897 176.870 -0.029 0.000 1.061 337 L CA -0.918 53.922 54.840 -0.000 0.000 0.807 337 L CB 1.145 43.211 42.059 0.011 0.000 1.177 337 L HN 0.031 nan 8.230 nan 0.000 0.429 338 L N 4.486 125.674 121.223 -0.057 0.000 2.371 338 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 338 L C -1.925 174.949 176.870 0.006 0.000 1.124 338 L CA -1.901 52.842 54.840 -0.161 0.000 0.816 338 L CB 0.477 42.274 42.059 -0.437 0.000 1.129 338 L HN 0.349 nan 8.230 nan 0.000 0.448 339 P HA 0.020 nan 4.420 nan 0.000 0.268 339 P C -0.565 176.863 177.300 0.214 0.000 1.205 339 P CA -0.378 62.788 63.100 0.110 0.000 0.771 339 P CB 0.460 32.218 31.700 0.098 0.000 0.858 340 E N 2.084 122.365 120.200 0.135 0.000 2.558 340 E HA 0.234 4.584 4.350 -0.000 0.000 0.255 340 E C 1.316 177.969 176.600 0.088 0.000 0.968 340 E CA 1.551 58.017 56.400 0.111 0.000 0.939 340 E CB -0.739 28.994 29.700 0.056 0.000 0.921 340 E HN 0.723 nan 8.360 nan 0.000 0.477 341 G N 4.814 113.630 108.800 0.028 0.000 2.159 341 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.256 341 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.256 341 G C 0.842 175.675 174.900 -0.112 0.000 0.977 341 G CA 0.475 45.527 45.100 -0.080 0.000 0.652 341 G HN 0.750 nan 8.290 nan 0.000 0.531 342 W N 1.488 122.750 121.300 -0.065 0.000 2.350 342 W HA -0.088 4.572 4.660 -0.000 0.000 0.289 342 W C 1.565 178.025 176.519 -0.099 0.000 1.215 342 W CA 1.625 58.922 57.345 -0.080 0.000 1.236 342 W CB -0.777 28.633 29.460 -0.084 0.000 1.130 342 W HN 0.517 nan 8.180 nan 0.000 0.541 343 E N 0.975 120.406 120.200 -1.281 0.000 2.358 343 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 343 E C 1.635 177.879 176.600 -0.595 0.000 1.010 343 E CA 0.827 56.426 56.400 -1.335 0.000 0.856 343 E CB -0.750 27.988 29.700 -1.603 0.000 0.795 343 E HN 0.269 nan 8.360 nan 0.000 0.504 344 Q N 0.786 120.346 119.800 -0.400 0.000 2.364 344 Q HA -0.062 4.278 4.340 -0.000 0.000 0.209 344 Q C 1.277 177.170 176.000 -0.177 0.000 0.977 344 Q CA 0.935 56.592 55.803 -0.242 0.000 0.885 344 Q CB -0.434 28.201 28.738 -0.172 0.000 0.941 344 Q HN 0.294 nan 8.270 nan 0.000 0.464 345 N N -0.081 118.519 118.700 -0.167 0.000 2.467 345 N HA 0.020 4.760 4.740 -0.000 0.000 0.184 345 N C -0.033 175.413 175.510 -0.107 0.000 1.106 345 N CA 0.087 53.075 53.050 -0.104 0.000 0.892 345 N CB 0.187 38.642 38.487 -0.052 0.000 0.969 345 N HN 0.143 nan 8.380 nan 0.000 0.454 346 L N 1.335 122.468 121.223 -0.149 0.000 2.436 346 L HA 0.327 4.667 4.340 -0.000 0.000 0.265 346 L C -1.641 175.176 176.870 -0.090 0.000 1.168 346 L CA -1.720 53.051 54.840 -0.114 0.000 0.815 346 L CB 0.268 42.242 42.059 -0.143 0.000 1.109 346 L HN 0.075 nan 8.230 nan 0.000 0.462 347 P HA 0.243 nan 4.420 nan 0.000 0.274 347 P C -0.939 176.310 177.300 -0.084 0.000 1.246 347 P CA -0.372 62.666 63.100 -0.103 0.000 0.795 347 P CB 0.736 32.369 31.700 -0.111 0.000 1.006 348 T N 0.679 115.123 114.554 -0.184 0.000 2.921 348 T HA 0.392 4.742 4.350 -0.000 0.000 0.297 348 T C -1.061 173.481 174.700 -0.262 0.000 1.013 348 T CA -0.193 61.844 62.100 -0.105 0.000 0.990 348 T CB 0.413 69.240 68.868 -0.068 0.000 1.023 348 T HN 0.118 nan 8.240 nan 0.000 0.447 349 Y N 1.996 122.301 120.300 0.009 0.000 2.326 349 Y HA 0.386 4.936 4.550 -0.000 0.000 0.337 349 Y C 0.988 176.895 175.900 0.012 0.000 1.023 349 Y CA -0.863 57.245 58.100 0.013 0.000 1.143 349 Y CB 0.855 39.328 38.460 0.022 0.000 1.183 349 Y HN 0.432 nan 8.280 nan 0.000 0.485 350 E N 3.136 123.387 120.200 0.084 0.000 2.349 350 E HA 0.217 4.567 4.350 -0.000 0.000 0.265 350 E C -0.230 176.419 176.600 0.081 0.000 1.064 350 E CA -0.502 55.933 56.400 0.059 0.000 0.886 350 E CB 1.082 30.795 29.700 0.021 0.000 1.036 350 E HN 0.605 nan 8.360 nan 0.000 0.413 351 L N 0.524 121.783 121.223 0.059 0.000 2.506 351 L HA 0.055 4.395 4.340 -0.000 0.000 0.281 351 L C 1.406 178.303 176.870 0.046 0.000 1.228 351 L CA 0.918 55.789 54.840 0.052 0.000 0.850 351 L CB -0.153 41.929 42.059 0.039 0.000 1.110 351 L HN 0.883 nan 8.230 nan 0.000 0.496 352 G N 1.509 110.336 108.800 0.044 0.000 2.147 352 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 352 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 352 G C 0.101 175.029 174.900 0.046 0.000 1.005 352 G CA 0.296 45.419 45.100 0.037 0.000 0.713 352 G HN 0.874 nan 8.290 nan 0.000 0.515 353 S N -1.369 114.371 115.700 0.067 0.000 2.600 353 S HA 0.866 5.336 4.470 -0.000 0.000 0.300 353 S C -0.571 174.079 174.600 0.083 0.000 1.087 353 S CA -0.798 57.455 58.200 0.087 0.000 0.965 353 S CB 2.742 66.021 63.200 0.132 0.000 1.089 353 S HN 0.405 nan 8.310 nan 0.000 0.496 354 K N 0.349 120.796 120.400 0.078 0.000 2.371 354 K HA 0.826 5.146 4.320 -0.000 0.000 0.251 354 K C -1.323 175.307 176.600 0.049 0.000 0.934 354 K CA -0.898 55.416 56.287 0.044 0.000 0.798 354 K CB 2.345 34.861 32.500 0.027 0.000 1.204 354 K HN 0.934 nan 8.250 nan 0.000 0.427 355 A N 1.191 124.006 122.820 -0.009 0.000 2.555 355 A HA 0.660 4.980 4.320 -0.000 0.000 0.297 355 A C -1.295 176.245 177.584 -0.073 0.000 1.060 355 A CA -0.743 51.279 52.037 -0.024 0.000 0.710 355 A CB 1.348 20.319 19.000 -0.048 0.000 1.282 355 A HN 0.736 nan 8.150 nan 0.000 0.399 356 A N 1.205 124.000 122.820 -0.041 0.000 2.462 356 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 356 A C 1.462 179.010 177.584 -0.060 0.000 1.076 356 A CA 0.591 52.597 52.037 -0.052 0.000 0.773 356 A CB -0.223 18.754 19.000 -0.038 0.000 1.010 356 A HN 1.926 nan 8.150 nan 0.000 0.493 357 T N -0.191 114.325 114.554 -0.063 0.000 3.035 357 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 357 T C 1.569 176.282 174.700 0.021 0.000 1.109 357 T CA 1.182 63.255 62.100 -0.044 0.000 1.119 357 T CB -0.365 68.476 68.868 -0.045 0.000 0.900 357 T HN 0.844 nan 8.240 nan 0.000 0.503 358 R N 1.524 122.043 120.500 0.031 0.000 2.120 358 R HA -0.004 4.336 4.340 -0.000 0.000 0.234 358 R C 1.917 178.279 176.300 0.104 0.000 1.123 358 R CA 1.447 57.602 56.100 0.092 0.000 0.975 358 R CB -0.617 29.749 30.300 0.110 0.000 0.866 358 R HN 0.269 nan 8.270 nan 0.000 0.446 359 N N 1.032 119.775 118.700 0.073 0.000 2.250 359 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 359 N C 1.891 177.474 175.510 0.122 0.000 1.017 359 N CA 1.700 54.806 53.050 0.094 0.000 0.866 359 N CB -0.048 38.489 38.487 0.083 0.000 0.985 359 N HN 0.460 nan 8.380 nan 0.000 0.429 360 S N -0.166 115.586 115.700 0.087 0.000 2.383 360 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 360 S C 2.129 176.832 174.600 0.171 0.000 1.026 360 S CA 1.250 59.536 58.200 0.143 0.000 0.981 360 S CB -0.447 62.679 63.200 -0.122 0.000 0.818 360 S HN 0.229 nan 8.310 nan 0.000 0.472 361 S N 1.942 117.752 115.700 0.183 0.000 2.368 361 S HA -0.014 4.456 4.470 -0.000 0.000 0.225 361 S C 2.077 176.763 174.600 0.142 0.000 1.030 361 S CA 1.527 59.906 58.200 0.298 0.000 0.999 361 S CB -1.334 62.085 63.200 0.365 0.000 0.844 361 S HN 0.728 nan 8.310 nan 0.000 0.459 362 G N 0.708 109.581 108.800 0.122 0.000 2.418 362 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.217 362 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.217 362 G C 1.698 176.615 174.900 0.029 0.000 1.158 362 G CA 0.975 46.120 45.100 0.075 0.000 0.771 362 G HN 0.718 nan 8.290 nan 0.000 0.545 363 A N -0.009 122.848 122.820 0.062 0.000 1.933 363 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 363 A C 2.595 180.159 177.584 -0.034 0.000 1.175 363 A CA 1.772 53.834 52.037 0.041 0.000 0.628 363 A CB -0.539 18.522 19.000 0.102 0.000 0.814 363 A HN 0.257 nan 8.150 nan 0.000 0.444 364 V N 0.129 119.998 119.914 -0.074 0.000 2.358 364 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 364 V C 2.398 178.235 176.094 -0.429 0.000 1.047 364 V CA 1.875 64.041 62.300 -0.224 0.000 1.035 364 V CB -0.619 31.057 31.823 -0.245 0.000 0.658 364 V HN 0.576 nan 8.190 nan 0.000 0.452 365 I N 0.446 120.724 120.570 -0.487 0.000 2.208 365 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 365 I C 2.349 178.377 176.117 -0.148 0.000 1.097 365 I CA 1.604 62.660 61.300 -0.408 0.000 1.363 365 I CB -0.451 37.373 38.000 -0.293 0.000 1.051 365 I HN 0.407 nan 8.210 nan 0.000 0.413 366 N N 0.685 119.329 118.700 -0.094 0.000 2.270 366 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 366 N C 1.910 177.389 175.510 -0.052 0.000 1.016 366 N CA 1.314 54.346 53.050 -0.030 0.000 0.870 366 N CB -0.020 38.470 38.487 0.006 0.000 0.979 366 N HN 0.334 nan 8.380 nan 0.000 0.431 367 A N 1.511 124.276 122.820 -0.092 0.000 1.898 367 A HA -0.045 4.276 4.320 -0.000 0.000 0.216 367 A C 2.248 179.768 177.584 -0.105 0.000 1.181 367 A CA 0.794 52.781 52.037 -0.083 0.000 0.620 367 A CB -0.544 18.407 19.000 -0.082 0.000 0.819 367 A HN 0.148 nan 8.150 nan 0.000 0.442 368 I N -0.132 120.296 120.570 -0.236 0.000 2.226 368 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 368 I C 2.938 178.875 176.117 -0.300 0.000 1.100 368 I CA 0.983 62.043 61.300 -0.400 0.000 1.374 368 I CB -0.331 37.060 38.000 -1.016 0.000 1.057 368 I HN 0.346 nan 8.210 nan 0.000 0.413 369 A N 0.604 123.355 122.820 -0.117 0.000 1.940 369 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 369 A C 2.175 179.781 177.584 0.036 0.000 1.176 369 A CA 1.851 53.941 52.037 0.088 0.000 0.631 369 A CB -0.562 18.530 19.000 0.152 0.000 0.814 369 A HN 0.496 nan 8.150 nan 0.000 0.446 370 E N -0.152 120.049 120.200 0.002 0.000 2.152 370 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 370 E C 2.081 178.689 176.600 0.014 0.000 0.983 370 E CA 1.329 57.736 56.400 0.011 0.000 0.818 370 E CB -0.080 29.622 29.700 0.004 0.000 0.758 370 E HN 0.780 nan 8.360 nan 0.000 0.467 371 S N -0.570 115.134 115.700 0.008 0.000 2.512 371 S HA 0.136 4.606 4.470 -0.000 0.000 0.216 371 S C 0.532 175.152 174.600 0.032 0.000 1.006 371 S CA -0.469 57.759 58.200 0.047 0.000 0.915 371 S CB 0.786 64.052 63.200 0.111 0.000 0.824 371 S HN -0.063 nan 8.310 nan 0.000 0.497 372 V N 3.598 123.483 119.914 -0.047 0.000 2.357 372 V HA 0.401 4.521 4.120 -0.000 0.000 0.281 372 V C -2.133 173.958 176.094 -0.005 0.000 1.015 372 V CA -1.533 60.704 62.300 -0.105 0.000 0.827 372 V CB 1.511 33.130 31.823 -0.339 0.000 1.018 372 V HN 0.093 nan 8.190 nan 0.000 0.432 373 P HA -0.075 nan 4.420 nan 0.000 0.226 373 P C 1.409 178.782 177.300 0.122 0.000 1.153 373 P CA 0.980 64.124 63.100 0.073 0.000 0.777 373 P CB 0.223 31.962 31.700 0.064 0.000 0.794 374 S N -2.285 113.495 115.700 0.134 0.000 2.631 374 S HA 0.059 4.529 4.470 -0.000 0.000 0.217 374 S C 0.333 175.107 174.600 0.289 0.000 0.958 374 S CA -0.556 57.753 58.200 0.182 0.000 0.920 374 S CB -1.308 61.976 63.200 0.140 0.000 0.776 374 S HN 0.034 nan 8.310 nan 0.000 0.517 375 F N 2.017 122.030 119.950 0.105 0.000 2.443 375 F HA 0.533 5.060 4.527 -0.000 0.000 0.353 375 F C -0.456 175.497 175.800 0.254 0.000 1.101 375 F CA -1.150 56.942 58.000 0.154 0.000 1.226 375 F CB 0.631 39.686 39.000 0.092 0.000 1.140 375 F HN 0.220 nan 8.300 nan 0.000 0.557 376 F N 4.493 124.305 119.950 -0.230 0.000 2.651 376 F HA 0.621 5.148 4.527 0.000 0.000 0.329 376 F C -0.684 174.710 175.800 -0.676 0.000 1.186 376 F CA -0.594 57.166 58.000 -0.399 0.000 1.046 376 F CB 1.220 40.023 39.000 -0.327 0.000 1.296 376 F HN 0.613 nan 8.300 nan 0.000 0.497 377 G N 1.793 109.910 108.800 -1.139 0.000 2.340 377 G HA2 0.651 4.611 3.960 -0.000 0.000 0.299 377 G HA3 0.651 4.611 3.960 -0.000 0.000 0.299 377 G C -1.069 173.164 174.900 -1.112 0.000 1.291 377 G CA 0.025 44.220 45.100 -1.509 0.000 0.841 377 G HN 1.516 nan 8.290 nan 0.000 0.500 378 G N -1.527 106.781 108.800 -0.820 0.000 2.450 378 G HA2 0.717 4.677 3.960 -0.000 0.000 0.273 378 G HA3 0.717 4.677 3.960 -0.000 0.000 0.273 378 G C -1.114 173.744 174.900 -0.071 0.000 1.221 378 G CA 0.992 45.894 45.100 -0.331 0.000 0.900 378 G HN 1.877 nan 8.290 nan 0.000 0.483 379 S N -1.540 114.156 115.700 -0.007 0.000 2.564 379 S HA 0.657 5.127 4.470 -0.000 0.000 0.274 379 S C -0.181 174.446 174.600 0.045 0.000 1.124 379 S CA 0.549 58.750 58.200 0.003 0.000 0.869 379 S CB 1.461 64.619 63.200 -0.070 0.000 1.105 379 S HN 1.996 nan 8.310 nan 0.000 0.472 380 A N 2.861 125.677 122.820 -0.007 0.000 3.063 380 A HA 0.451 4.771 4.320 -0.000 0.000 0.263 380 A C 0.575 178.112 177.584 -0.078 0.000 1.736 380 A CA 0.554 52.583 52.037 -0.013 0.000 1.408 380 A CB -1.527 17.438 19.000 -0.059 0.000 1.108 380 A HN 1.183 nan 8.150 nan 0.000 0.621 381 D N -0.655 119.708 120.400 -0.061 0.000 3.041 381 D HA -0.169 4.471 4.640 -0.000 0.000 0.220 381 D C -0.019 176.198 176.300 -0.139 0.000 1.157 381 D CA 1.502 55.461 54.000 -0.069 0.000 0.876 381 D CB -1.500 39.279 40.800 -0.035 0.000 1.107 381 D HN 0.501 nan 8.370 nan 0.000 0.422 382 L N -1.098 120.011 121.223 -0.190 0.000 3.288 382 L HA 0.562 4.902 4.340 -0.000 0.000 0.293 382 L C 2.011 178.796 176.870 -0.143 0.000 1.294 382 L CA 0.209 54.915 54.840 -0.223 0.000 1.006 382 L CB 0.153 41.947 42.059 -0.442 0.000 1.407 382 L HN 0.133 nan 8.230 nan 0.000 0.592 383 A N 0.562 123.272 122.820 -0.184 0.000 1.883 383 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 383 A C 2.258 179.815 177.584 -0.045 0.000 1.186 383 A CA 2.143 54.092 52.037 -0.146 0.000 0.624 383 A CB -0.725 18.075 19.000 -0.333 0.000 0.822 383 A HN 0.486 nan 8.150 nan 0.000 0.444 384 G N -1.013 107.751 108.800 -0.059 0.000 2.418 384 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 384 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 384 G C 1.810 176.761 174.900 0.085 0.000 1.158 384 G CA 1.377 46.483 45.100 0.008 0.000 0.771 384 G HN 0.514 nan 8.290 nan 0.000 0.545 385 S N 0.963 116.725 115.700 0.103 0.000 2.395 385 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 385 S C 2.129 176.922 174.600 0.322 0.000 1.027 385 S CA 0.627 58.976 58.200 0.247 0.000 0.965 385 S CB -0.158 63.213 63.200 0.286 0.000 0.812 385 S HN 0.335 nan 8.310 nan 0.000 0.482 386 N N 1.242 120.059 118.700 0.196 0.000 2.457 386 N HA 0.031 4.771 4.740 -0.000 0.000 0.180 386 N C -0.263 175.368 175.510 0.200 0.000 1.050 386 N CA 0.452 53.637 53.050 0.226 0.000 0.906 386 N CB -0.096 38.477 38.487 0.144 0.000 0.968 386 N HN 0.159 nan 8.380 nan 0.000 0.445 387 K N -0.163 120.335 120.400 0.163 0.000 3.096 387 K HA -0.125 4.195 4.320 -0.000 0.000 0.266 387 K C 0.503 177.196 176.600 0.156 0.000 1.043 387 K CA 0.937 57.314 56.287 0.151 0.000 0.758 387 K CB -2.725 29.863 32.500 0.147 0.000 1.260 387 K HN 0.488 nan 8.250 nan 0.000 0.481 388 T N -4.152 110.501 114.554 0.166 0.000 3.060 388 T HA 0.061 4.411 4.350 -0.000 0.000 0.249 388 T C 0.951 175.767 174.700 0.194 0.000 1.079 388 T CA -0.167 62.052 62.100 0.198 0.000 1.013 388 T CB -0.016 69.009 68.868 0.262 0.000 0.975 388 T HN 0.291 nan 8.240 nan 0.000 0.518 392 N N 0.817 119.572 118.700 0.092 0.000 2.235 392 N HA 0.142 4.882 4.740 -0.000 0.000 0.209 392 N C -0.653 174.897 175.510 0.067 0.000 1.122 392 N CA 0.633 53.730 53.050 0.079 0.000 0.845 392 N CB 0.499 39.022 38.487 0.059 0.000 1.004 392 N HN 0.312 nan 8.380 nan 0.000 0.499 393 E N 0.439 120.666 120.200 0.045 0.000 2.281 393 E HA 0.379 4.729 4.350 -0.000 0.000 0.262 393 E C -0.019 176.620 176.600 0.065 0.000 0.933 393 E CA -0.419 56.005 56.400 0.040 0.000 0.809 393 E CB 2.066 31.772 29.700 0.010 0.000 1.242 393 E HN -0.046 nan 8.360 nan 0.000 0.418 394 K N 0.496 120.954 120.400 0.097 0.000 2.148 394 K HA 0.295 4.615 4.320 -0.000 0.000 0.239 394 K C -0.496 176.209 176.600 0.175 0.000 1.018 394 K CA -0.728 55.641 56.287 0.137 0.000 0.923 394 K CB 0.570 33.135 32.500 0.110 0.000 1.117 394 K HN 0.297 nan 8.250 nan 0.000 0.477 395 D N 1.059 121.588 120.400 0.215 0.000 2.256 395 D HA 0.052 4.692 4.640 -0.000 0.000 0.250 395 D C -0.695 175.744 176.300 0.232 0.000 1.093 395 D CA -0.135 54.031 54.000 0.276 0.000 0.882 395 D CB 0.520 41.448 40.800 0.214 0.000 1.185 395 D HN 0.237 nan 8.370 nan 0.000 0.437 396 F N 2.800 122.827 119.950 0.128 0.000 2.466 396 F HA 0.194 4.721 4.527 -0.000 0.000 0.363 396 F C 0.464 176.299 175.800 0.057 0.000 1.109 396 F CA -0.106 57.968 58.000 0.122 0.000 1.161 396 F CB 0.016 39.096 39.000 0.132 0.000 1.117 396 F HN 0.181 nan 8.300 nan 0.000 0.539 397 T N 2.472 116.791 114.554 -0.393 0.000 2.841 397 T HA 0.324 4.674 4.350 -0.000 0.000 0.296 397 T C 0.923 175.190 174.700 -0.722 0.000 1.166 397 T CA -0.756 61.074 62.100 -0.451 0.000 1.007 397 T CB 1.472 70.153 68.868 -0.313 0.000 1.253 397 T HN 0.675 nan 8.240 nan 0.000 0.511 398 R N 0.377 120.503 120.500 -0.623 0.000 2.200 398 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 398 R C 0.537 176.356 176.300 -0.802 0.000 1.127 398 R CA 1.778 57.449 56.100 -0.716 0.000 0.989 398 R CB -0.587 29.450 30.300 -0.439 0.000 0.869 398 R HN 0.533 nan 8.270 nan 0.000 0.459 399 D N -0.132 119.922 120.400 -0.577 0.000 2.367 399 D HA 0.020 4.660 4.640 -0.000 0.000 0.207 399 D C -0.455 175.608 176.300 -0.395 0.000 1.034 399 D CA 0.600 54.348 54.000 -0.420 0.000 0.861 399 D CB 0.368 41.004 40.800 -0.273 0.000 0.943 399 D HN 0.179 nan 8.370 nan 0.000 0.515 400 D N -0.450 119.675 120.400 -0.460 0.000 2.337 400 D HA 0.015 4.655 4.640 -0.000 0.000 0.238 400 D C -0.189 175.977 176.300 -0.222 0.000 1.331 400 D CA -0.518 53.320 54.000 -0.269 0.000 0.967 400 D CB -0.123 40.603 40.800 -0.125 0.000 1.382 400 D HN -0.209 nan 8.370 nan 0.000 0.549 401 Y N 0.935 121.169 120.300 -0.110 0.000 2.583 401 Y HA -0.026 4.524 4.550 0.000 0.000 0.293 401 Y C 2.466 178.565 175.900 0.330 0.000 1.157 401 Y CA 0.915 58.991 58.100 -0.040 0.000 1.315 401 Y CB -0.069 38.366 38.460 -0.041 0.000 1.021 401 Y HN 0.381 nan 8.280 nan 0.000 0.536 402 S N -1.153 114.723 115.700 0.293 0.000 2.527 402 S HA 0.110 4.580 4.470 -0.000 0.000 0.222 402 S C 1.416 176.244 174.600 0.379 0.000 0.985 402 S CA 0.126 58.466 58.200 0.233 0.000 0.921 402 S CB -0.617 62.613 63.200 0.050 0.000 0.772 402 S HN 0.256 nan 8.310 nan 0.000 0.529 403 G N 1.002 110.031 108.800 0.380 0.000 2.432 403 G HA2 0.272 4.232 3.960 -0.000 0.000 0.239 403 G HA3 0.272 4.232 3.960 -0.000 0.000 0.239 403 G C 0.301 175.457 174.900 0.426 0.000 1.291 403 G CA -0.598 44.705 45.100 0.337 0.000 0.863 403 G HN 0.451 nan 8.290 nan 0.000 0.560 404 K N 0.945 121.506 120.400 0.268 0.000 2.361 404 K HA 0.055 4.375 4.320 -0.000 0.000 0.194 404 K C 0.320 176.897 176.600 -0.038 0.000 1.032 404 K CA -0.059 56.347 56.287 0.198 0.000 1.048 404 K CB 0.289 32.900 32.500 0.185 0.000 0.842 404 K HN 0.339 nan 8.250 nan 0.000 0.526 405 N N 1.777 120.462 118.700 -0.025 0.000 2.414 405 N HA 0.202 4.942 4.740 -0.000 0.000 0.256 405 N C -0.700 174.806 175.510 -0.007 0.000 1.029 405 N CA 0.069 53.033 53.050 -0.142 0.000 0.948 405 N CB 1.055 39.427 38.487 -0.190 0.000 1.102 405 N HN 0.032 nan 8.380 nan 0.000 0.496 406 I N 1.798 122.189 120.570 -0.297 0.000 2.336 406 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 406 I C -0.453 175.521 176.117 -0.238 0.000 0.991 406 I CA -0.737 60.371 61.300 -0.320 0.000 1.227 406 I CB 0.926 38.373 38.000 -0.923 0.000 1.366 406 I HN 0.277 nan 8.210 nan 0.000 0.466 407 W N 6.323 127.500 121.300 -0.205 0.000 2.295 407 W HA 0.340 5.000 4.660 -0.000 0.000 0.333 407 W C 0.409 176.838 176.519 -0.150 0.000 0.990 407 W CA -0.494 56.792 57.345 -0.097 0.000 1.453 407 W CB -0.109 29.342 29.460 -0.015 0.000 1.263 407 W HN 0.455 nan 8.180 nan 0.000 0.380 408 Y N 2.020 122.356 120.300 0.061 0.000 2.509 408 Y HA 0.111 4.661 4.550 -0.000 0.000 0.293 408 Y C 2.011 177.925 175.900 0.024 0.000 1.133 408 Y CA 1.183 59.298 58.100 0.025 0.000 1.283 408 Y CB -0.525 37.912 38.460 -0.038 0.000 1.001 408 Y HN 0.522 nan 8.280 nan 0.000 0.555 409 G N -0.282 108.617 108.800 0.164 0.000 2.741 409 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.222 409 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.222 409 G C -0.556 174.367 174.900 0.038 0.000 1.364 409 G CA -0.486 44.663 45.100 0.082 0.000 0.866 409 G HN 0.017 nan 8.290 nan 0.000 0.555 410 V N 1.458 121.365 119.914 -0.011 0.000 1.973 410 V HA 0.391 4.511 4.120 -0.000 0.000 0.255 410 V C 1.042 177.107 176.094 -0.048 0.000 1.605 410 V CA 0.935 63.193 62.300 -0.069 0.000 1.542 410 V CB -0.856 30.906 31.823 -0.100 0.000 1.504 410 V HN 0.541 nan 8.190 nan 0.000 0.505 411 R N 1.514 122.008 120.500 -0.010 0.000 2.655 411 R HA 0.269 4.609 4.340 -0.000 0.000 0.261 411 R C 0.368 176.694 176.300 0.044 0.000 1.624 411 R CA -0.350 55.771 56.100 0.035 0.000 1.655 411 R CB 0.853 31.191 30.300 0.063 0.000 1.356 411 R HN 0.393 nan 8.270 nan 0.000 0.684 412 E N 0.579 120.801 120.200 0.035 0.000 2.058 412 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 412 E C 1.159 177.854 176.600 0.158 0.000 0.997 412 E CA 1.372 57.806 56.400 0.057 0.000 0.801 412 E CB -0.056 29.680 29.700 0.060 0.000 0.746 412 E HN 0.290 nan 8.360 nan 0.000 0.450 413 F N 1.106 121.082 119.950 0.043 0.000 2.102 413 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 413 F C 1.276 177.075 175.800 -0.002 0.000 1.105 413 F CA 0.616 58.634 58.000 0.030 0.000 1.239 413 F CB -1.007 38.016 39.000 0.039 0.000 0.991 413 F HN -0.058 nan 8.300 nan 0.000 0.474 417 A N 1.187 124.089 122.820 0.136 0.000 1.898 417 A HA 0.648 4.968 4.320 -0.000 0.000 0.216 417 A C 1.956 179.567 177.584 0.045 0.000 1.181 417 A CA 2.045 54.135 52.037 0.088 0.000 0.620 417 A CB -0.863 18.153 19.000 0.026 0.000 0.819 417 A HN 1.602 nan 8.150 nan 0.000 0.442 421 G N 2.001 110.805 108.800 0.005 0.000 2.418 421 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 421 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 421 G C 1.521 176.444 174.900 0.040 0.000 1.158 421 G CA 1.022 46.126 45.100 0.007 0.000 0.771 421 G HN 0.281 nan 8.290 nan 0.000 0.545 422 I N 1.326 121.927 120.570 0.051 0.000 2.179 422 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 422 I C 3.282 179.458 176.117 0.097 0.000 1.088 422 I CA 1.059 62.408 61.300 0.082 0.000 1.357 422 I CB -0.188 37.869 38.000 0.096 0.000 1.051 422 I HN 0.248 nan 8.210 nan 0.000 0.409 423 A N 0.708 123.564 122.820 0.060 0.000 1.930 423 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 423 A C 2.286 179.896 177.584 0.043 0.000 1.175 423 A CA 1.270 53.343 52.037 0.061 0.000 0.627 423 A CB -0.806 18.213 19.000 0.031 0.000 0.815 423 A HN 0.375 nan 8.150 nan 0.000 0.443 424 L N -1.234 119.970 121.223 -0.032 0.000 2.083 424 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 424 L C 2.718 179.575 176.870 -0.022 0.000 1.083 424 L CA 1.521 56.280 54.840 -0.135 0.000 0.752 424 L CB -0.656 41.252 42.059 -0.252 0.000 0.899 424 L HN 0.595 nan 8.230 nan 0.000 0.433 425 H N 0.646 119.693 119.070 -0.037 0.000 2.353 425 H HA -0.050 4.506 4.556 0.000 0.000 0.300 425 H C 0.862 176.221 175.328 0.050 0.000 1.090 425 H CA 1.295 57.317 56.048 -0.042 0.000 1.327 425 H CB 0.072 29.806 29.762 -0.047 0.000 1.383 425 H HN 0.313 nan 8.280 nan 0.000 0.508 426 G N -2.309 106.677 108.800 0.310 0.000 2.692 426 G HA2 0.161 4.121 3.960 -0.000 0.000 0.686 426 G HA3 0.161 4.121 3.960 -0.000 0.000 0.686 426 G C 0.708 175.957 174.900 0.582 0.000 1.243 426 G CA 0.318 45.654 45.100 0.394 0.000 0.782 426 G HN 1.070 nan 8.290 nan 0.000 0.625 427 G N -1.119 107.896 108.800 0.358 0.000 2.232 427 G HA2 0.015 3.975 3.960 -0.000 0.000 0.226 427 G HA3 0.015 3.975 3.960 -0.000 0.000 0.226 427 G C 0.272 175.296 174.900 0.207 0.000 0.996 427 G CA 0.701 45.967 45.100 0.277 0.000 0.626 427 G HN 1.592 nan 8.290 nan 0.000 0.509 428 L N 0.168 121.510 121.223 0.199 0.000 2.388 428 L HA 0.676 5.016 4.340 -0.000 0.000 0.264 428 L C -0.581 176.398 176.870 0.181 0.000 0.998 428 L CA -1.257 53.693 54.840 0.182 0.000 0.817 428 L CB 2.119 44.276 42.059 0.163 0.000 1.338 428 L HN -0.192 nan 8.230 nan 0.000 0.414 429 K N 1.495 122.027 120.400 0.220 0.000 2.265 429 K HA 0.557 4.877 4.320 -0.000 0.000 0.267 429 K C -0.675 176.093 176.600 0.279 0.000 0.994 429 K CA -0.270 56.166 56.287 0.249 0.000 0.860 429 K CB 2.013 34.685 32.500 0.287 0.000 1.099 429 K HN 0.571 nan 8.250 nan 0.000 0.448 430 T N 2.634 117.296 114.554 0.179 0.000 2.907 430 T HA 0.702 5.052 4.350 -0.000 0.000 0.292 430 T C -1.516 173.215 174.700 0.050 0.000 1.043 430 T CA -0.592 61.526 62.100 0.031 0.000 1.003 430 T CB 0.614 69.466 68.868 -0.028 0.000 1.084 430 T HN 0.476 nan 8.240 nan 0.000 0.483 431 Y N -0.324 119.871 120.300 -0.174 0.000 2.625 431 Y HA 0.827 5.377 4.550 -0.000 0.000 0.338 431 Y C -0.554 175.252 175.900 -0.157 0.000 1.123 431 Y CA -1.262 56.753 58.100 -0.142 0.000 1.046 431 Y CB 1.109 39.602 38.460 0.055 0.000 1.299 431 Y HN 0.857 nan 8.280 nan 0.000 0.464 432 G N -0.354 108.431 108.800 -0.025 0.000 2.746 432 G HA2 0.562 4.522 3.960 -0.000 0.000 0.297 432 G HA3 0.562 4.522 3.960 -0.000 0.000 0.297 432 G C -1.482 173.451 174.900 0.056 0.000 1.426 432 G CA -0.541 44.512 45.100 -0.077 0.000 0.989 432 G HN 1.135 nan 8.290 nan 0.000 0.520 433 G N -0.813 108.033 108.800 0.076 0.000 2.448 433 G HA2 0.769 4.729 3.960 -0.000 0.000 0.324 433 G HA3 0.769 4.729 3.960 -0.000 0.000 0.324 433 G C -0.739 174.225 174.900 0.106 0.000 1.203 433 G CA -0.166 45.002 45.100 0.114 0.000 0.954 433 G HN 0.911 nan 8.290 nan 0.000 0.480 434 T N -0.416 114.272 114.554 0.223 0.000 2.711 434 T HA 0.533 4.883 4.350 -0.000 0.000 0.302 434 T C -1.243 173.644 174.700 0.311 0.000 1.373 434 T CA -0.609 61.578 62.100 0.145 0.000 1.000 434 T CB 0.641 69.603 68.868 0.156 0.000 1.483 434 T HN 0.213 nan 8.240 nan 0.000 0.499 435 F N 2.652 122.710 119.950 0.180 0.000 2.572 435 F HA 0.305 4.832 4.527 -0.000 0.000 0.370 435 F C 1.356 177.207 175.800 0.084 0.000 1.103 435 F CA -1.069 56.981 58.000 0.084 0.000 1.286 435 F CB -0.128 38.788 39.000 -0.141 0.000 1.105 435 F HN 0.591 nan 8.300 nan 0.000 0.583 436 F N 2.593 122.615 119.950 0.120 0.000 2.154 436 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 436 F C 2.099 177.700 175.800 -0.330 0.000 1.087 436 F CA 1.560 59.453 58.000 -0.180 0.000 1.274 436 F CB -0.680 38.284 39.000 -0.059 0.000 1.009 436 F HN 0.209 nan 8.300 nan 0.000 0.485 437 V N -0.213 119.499 119.914 -0.337 0.000 2.490 437 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 437 V C 1.810 177.581 176.094 -0.538 0.000 1.061 437 V CA 1.745 63.694 62.300 -0.585 0.000 1.064 437 V CB -0.681 30.718 31.823 -0.706 0.000 0.670 437 V HN 0.223 nan 8.190 nan 0.000 0.461 438 F N 0.622 120.497 119.950 -0.125 0.000 2.732 438 F HA 0.178 4.705 4.527 -0.000 0.000 0.303 438 F C 2.380 178.103 175.800 -0.128 0.000 1.110 438 F CA 0.417 58.351 58.000 -0.110 0.000 1.355 438 F CB -1.109 37.739 39.000 -0.254 0.000 1.081 438 F HN 0.293 nan 8.300 nan 0.000 0.565 439 S N -0.724 114.823 115.700 -0.255 0.000 2.420 439 S HA -0.228 4.242 4.470 -0.000 0.000 0.237 439 S C 1.582 176.046 174.600 -0.228 0.000 1.023 439 S CA 1.571 59.494 58.200 -0.463 0.000 0.991 439 S CB -0.377 62.159 63.200 -1.106 0.000 0.792 439 S HN 0.303 nan 8.310 nan 0.000 0.488 440 D N 0.630 120.946 120.400 -0.140 0.000 2.178 440 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 440 D C 1.410 177.646 176.300 -0.107 0.000 0.980 440 D CA 1.018 54.944 54.000 -0.124 0.000 0.842 440 D CB -0.434 40.315 40.800 -0.084 0.000 0.948 440 D HN 0.519 nan 8.370 nan 0.000 0.472 441 Y N 0.528 120.744 120.300 -0.140 0.000 2.352 441 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 441 Y C 2.091 177.807 175.900 -0.307 0.000 1.136 441 Y CA 0.694 58.700 58.100 -0.156 0.000 1.227 441 Y CB -0.236 38.187 38.460 -0.062 0.000 0.991 441 Y HN 0.018 nan 8.280 nan 0.000 0.545 442 L N -2.563 118.580 121.223 -0.133 0.000 2.857 442 L HA 0.419 4.759 4.340 -0.000 0.000 0.249 442 L C 1.876 178.537 176.870 -0.349 0.000 1.172 442 L CA 0.092 54.777 54.840 -0.259 0.000 0.980 442 L CB -0.178 41.881 42.059 0.000 0.000 1.299 442 L HN -0.179 nan 8.230 nan 0.000 0.535 443 R N 1.540 121.828 120.500 -0.353 0.000 2.119 443 R HA -0.111 4.229 4.340 -0.000 0.000 0.246 443 R C -0.594 175.567 176.300 -0.231 0.000 1.146 443 R CA 2.253 58.196 56.100 -0.263 0.000 0.962 443 R CB -1.141 29.020 30.300 -0.231 0.000 0.863 443 R HN 0.369 nan 8.270 nan 0.000 0.442 444 P HA -0.023 nan 4.420 nan 0.000 0.221 444 P C 0.498 177.822 177.300 0.040 0.000 1.150 444 P CA 1.594 64.614 63.100 -0.133 0.000 0.800 444 P CB 0.050 31.700 31.700 -0.084 0.000 0.787 445 A N -0.607 122.259 122.820 0.077 0.000 1.930 445 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 445 A C 2.112 179.785 177.584 0.149 0.000 1.176 445 A CA 0.889 53.049 52.037 0.205 0.000 0.632 445 A CB -1.388 17.804 19.000 0.320 0.000 0.819 445 A HN 0.086 nan 8.150 nan 0.000 0.445 446 I N -0.784 119.831 120.570 0.074 0.000 2.208 446 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 446 I C 2.686 178.872 176.117 0.116 0.000 1.097 446 I CA 1.689 63.055 61.300 0.109 0.000 1.363 446 I CB -0.369 37.593 38.000 -0.063 0.000 1.051 446 I HN 0.356 nan 8.210 nan 0.000 0.413 447 R N 1.331 121.867 120.500 0.061 0.000 2.081 447 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 447 R C 2.360 178.713 176.300 0.087 0.000 1.131 447 R CA 1.388 57.525 56.100 0.062 0.000 0.960 447 R CB -0.157 30.161 30.300 0.030 0.000 0.856 447 R HN 0.337 nan 8.270 nan 0.000 0.436 448 L N 0.036 121.319 121.223 0.098 0.000 2.131 448 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 448 L C 2.636 179.578 176.870 0.120 0.000 1.092 448 L CA 1.131 56.034 54.840 0.106 0.000 0.759 448 L CB -0.531 41.591 42.059 0.104 0.000 0.903 448 L HN 0.335 nan 8.230 nan 0.000 0.435 449 A N 0.120 123.025 122.820 0.140 0.000 1.902 449 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 449 A C 2.539 180.207 177.584 0.139 0.000 1.181 449 A CA 1.659 53.782 52.037 0.143 0.000 0.623 449 A CB -0.577 18.537 19.000 0.191 0.000 0.818 449 A HN 0.394 nan 8.150 nan 0.000 0.443 450 A N -0.755 122.149 122.820 0.141 0.000 1.898 450 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 450 A C 1.333 178.989 177.584 0.120 0.000 1.181 450 A CA 1.213 53.325 52.037 0.126 0.000 0.620 450 A CB -0.643 18.426 19.000 0.115 0.000 0.819 450 A HN 0.586 nan 8.150 nan 0.000 0.442 454 L N 2.766 124.064 121.223 0.126 0.000 2.275 454 L HA 0.442 4.782 4.340 -0.000 0.000 0.288 454 L C -1.800 175.104 176.870 0.057 0.000 1.046 454 L CA -1.843 53.052 54.840 0.092 0.000 0.805 454 L CB 0.795 42.890 42.059 0.060 0.000 1.193 454 L HN -0.053 nan 8.230 nan 0.000 0.426 455 P HA 0.047 nan 4.420 nan 0.000 0.218 455 P C -0.130 177.163 177.300 -0.011 0.000 1.793 455 P CA -0.062 63.056 63.100 0.030 0.000 0.941 455 P CB -0.101 31.632 31.700 0.055 0.000 1.919 456 V N -1.277 118.587 119.914 -0.083 0.000 3.083 456 V HA 0.600 4.720 4.120 -0.000 0.000 0.306 456 V C 0.114 176.001 176.094 -0.346 0.000 1.077 456 V CA -0.144 62.038 62.300 -0.197 0.000 1.073 456 V CB 0.826 32.475 31.823 -0.289 0.000 1.081 456 V HN 0.087 nan 8.190 nan 0.000 0.474 457 T N 2.891 117.226 114.554 -0.364 0.000 2.812 457 T HA 0.602 4.952 4.350 -0.000 0.000 0.282 457 T C -1.149 173.216 174.700 -0.558 0.000 0.990 457 T CA 0.023 61.873 62.100 -0.417 0.000 0.960 457 T CB 0.807 69.529 68.868 -0.244 0.000 0.948 457 T HN 0.599 nan 8.240 nan 0.000 0.438 458 Y N 1.281 121.371 120.300 -0.350 0.000 2.320 458 Y HA 0.489 5.039 4.550 0.000 0.000 0.334 458 Y C 0.233 175.718 175.900 -0.692 0.000 1.055 458 Y CA -1.228 56.487 58.100 -0.642 0.000 1.143 458 Y CB 0.912 38.650 38.460 -1.204 0.000 1.193 458 Y HN 0.284 nan 8.280 nan 0.000 0.477 459 V N 5.463 125.179 119.914 -0.330 0.000 2.277 459 V HA 0.227 4.347 4.120 -0.000 0.000 0.269 459 V C -0.890 175.186 176.094 -0.030 0.000 1.036 459 V CA -0.644 61.569 62.300 -0.145 0.000 0.821 459 V CB -0.665 31.217 31.823 0.099 0.000 1.052 459 V HN 0.442 nan 8.190 nan 0.000 0.462 460 F N 3.517 123.515 119.950 0.080 0.000 2.332 460 F HA 0.535 5.062 4.527 0.000 0.000 0.368 460 F C 0.977 176.831 175.800 0.090 0.000 1.110 460 F CA -0.861 57.209 58.000 0.117 0.000 1.087 460 F CB 1.462 40.504 39.000 0.070 0.000 1.235 460 F HN 0.515 nan 8.300 nan 0.000 0.470 461 T N -1.358 113.457 114.554 0.436 0.000 2.893 461 T HA 0.422 4.772 4.350 -0.000 0.000 0.279 461 T C -0.436 174.551 174.700 0.479 0.000 0.991 461 T CA -0.552 61.787 62.100 0.399 0.000 0.950 461 T CB 0.646 69.819 68.868 0.508 0.000 1.223 461 T HN 0.587 nan 8.240 nan 0.000 0.585 462 H N 0.328 119.454 119.070 0.094 0.000 2.750 462 H HA -0.081 4.475 4.556 -0.000 0.000 0.327 462 H C 0.523 175.857 175.328 0.010 0.000 1.199 462 H CA 0.848 56.872 56.048 -0.040 0.000 1.149 462 H CB -1.765 27.816 29.762 -0.302 0.000 1.543 462 H HN 0.820 nan 8.280 nan 0.000 0.427 463 D N -0.923 119.533 120.400 0.093 0.000 2.363 463 D HA 0.016 4.656 4.640 -0.000 0.000 0.226 463 D C 0.813 177.204 176.300 0.150 0.000 1.020 463 D CA 0.847 54.950 54.000 0.172 0.000 0.892 463 D CB 0.309 41.108 40.800 -0.001 0.000 0.900 463 D HN 0.510 nan 8.370 nan 0.000 0.531 464 S N -0.780 114.935 115.700 0.025 0.000 2.727 464 S HA 0.309 4.779 4.470 -0.000 0.000 0.278 464 S C 1.187 175.736 174.600 -0.086 0.000 1.186 464 S CA -0.459 57.720 58.200 -0.034 0.000 0.836 464 S CB 0.055 63.197 63.200 -0.097 0.000 1.186 464 S HN 0.045 nan 8.310 nan 0.000 0.499 465 I N -0.818 119.672 120.570 -0.133 0.000 2.657 465 I HA 0.079 4.249 4.170 -0.000 0.000 0.261 465 I C 2.188 178.206 176.117 -0.165 0.000 1.212 465 I CA 1.404 62.597 61.300 -0.177 0.000 1.453 465 I CB -0.881 36.934 38.000 -0.309 0.000 1.092 465 I HN 0.667 nan 8.210 nan 0.000 0.452 466 A N 1.370 124.099 122.820 -0.151 0.000 2.131 466 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 466 A C 2.387 179.904 177.584 -0.111 0.000 1.158 466 A CA 1.774 53.735 52.037 -0.127 0.000 0.665 466 A CB -1.008 17.917 19.000 -0.124 0.000 0.795 466 A HN 0.385 nan 8.150 nan 0.000 0.460 467 V N -0.994 118.857 119.914 -0.106 0.000 2.380 467 V HA -0.097 4.023 4.120 -0.000 0.000 0.251 467 V C 2.254 178.305 176.094 -0.072 0.000 1.063 467 V CA 2.059 64.309 62.300 -0.084 0.000 1.055 467 V CB -1.538 30.242 31.823 -0.073 0.000 0.657 467 V HN 1.156 nan 8.190 nan 0.000 0.455 468 G N -0.595 108.156 108.800 -0.081 0.000 2.779 468 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.284 468 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.284 468 G C 0.684 175.547 174.900 -0.062 0.000 1.326 468 G CA 0.470 45.527 45.100 -0.071 0.000 0.983 468 G HN 0.372 nan 8.290 nan 0.000 0.555 469 E N 1.047 121.215 120.200 -0.053 0.000 2.150 469 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 469 E C 1.961 178.512 176.600 -0.081 0.000 0.985 469 E CA 1.251 57.620 56.400 -0.052 0.000 0.814 469 E CB -0.182 29.495 29.700 -0.039 0.000 0.752 469 E HN 0.471 nan 8.360 nan 0.000 0.466 470 D N -0.180 120.150 120.400 -0.116 0.000 2.263 470 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 470 D C 0.987 177.174 176.300 -0.188 0.000 0.971 470 D CA 1.277 55.137 54.000 -0.233 0.000 0.867 470 D CB -0.178 40.418 40.800 -0.340 0.000 0.929 470 D HN 0.239 nan 8.370 nan 0.000 0.492 471 G N 0.048 108.798 108.800 -0.083 0.000 2.698 471 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 471 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 471 G C -1.927 172.981 174.900 0.013 0.000 1.345 471 G CA -0.162 44.919 45.100 -0.032 0.000 0.871 471 G HN -0.031 nan 8.290 nan 0.000 0.540 472 P HA -0.089 nan 4.420 nan 0.000 0.218 472 P C 2.003 179.308 177.300 0.008 0.000 1.149 472 P CA 2.880 66.002 63.100 0.038 0.000 0.817 472 P CB -0.424 31.298 31.700 0.038 0.000 0.785 473 T N -4.508 110.074 114.554 0.046 0.000 2.977 473 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 473 T C 1.217 175.967 174.700 0.083 0.000 1.105 473 T CA 1.293 63.447 62.100 0.090 0.000 1.116 473 T CB -1.060 67.941 68.868 0.221 0.000 0.878 473 T HN 0.180 nan 8.240 nan 0.000 0.509 474 H N 0.416 119.423 119.070 -0.104 0.000 2.672 474 H HA 0.460 5.016 4.556 0.000 0.000 0.277 474 H C -0.211 174.972 175.328 -0.241 0.000 1.074 474 H CA -0.518 55.400 56.048 -0.217 0.000 1.173 474 H CB 0.489 30.163 29.762 -0.147 0.000 1.558 474 H HN 0.525 nan 8.280 nan 0.000 0.539 475 E N 1.639 121.803 120.200 -0.060 0.000 2.145 475 E HA 0.256 4.606 4.350 -0.000 0.000 0.262 475 E C -2.622 173.943 176.600 -0.058 0.000 0.883 475 E CA -2.258 54.106 56.400 -0.060 0.000 0.748 475 E CB 1.829 31.512 29.700 -0.029 0.000 1.140 475 E HN 0.081 nan 8.360 nan 0.000 0.417 476 P HA 0.002 nan 4.420 nan 0.000 0.268 476 P C -0.099 177.178 177.300 -0.039 0.000 1.205 476 P CA 0.160 63.179 63.100 -0.135 0.000 0.771 476 P CB 0.825 32.457 31.700 -0.113 0.000 0.858 477 I N 1.818 122.363 120.570 -0.041 0.000 3.814 477 I HA 0.016 4.186 4.170 -0.000 0.000 0.264 477 I C 1.764 177.867 176.117 -0.023 0.000 1.145 477 I CA 0.692 61.989 61.300 -0.005 0.000 1.375 477 I CB -0.901 37.087 38.000 -0.020 0.000 1.638 477 I HN 0.353 nan 8.210 nan 0.000 0.432 478 E N 1.312 121.467 120.200 -0.075 0.000 2.474 478 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 478 E C 1.450 177.978 176.600 -0.121 0.000 1.041 478 E CA 0.485 56.837 56.400 -0.079 0.000 0.874 478 E CB 0.058 29.692 29.700 -0.110 0.000 0.914 478 E HN 0.325 nan 8.360 nan 0.000 0.498 479 Q N 1.038 120.682 119.800 -0.262 0.000 2.135 479 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 479 Q C 2.261 178.175 176.000 -0.144 0.000 0.981 479 Q CA 1.347 56.862 55.803 -0.481 0.000 0.856 479 Q CB -0.331 27.595 28.738 -1.354 0.000 0.902 479 Q HN 0.318 nan 8.270 nan 0.000 0.425 480 L N -0.603 120.698 121.223 0.131 0.000 1.994 480 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 480 L C 2.294 179.252 176.870 0.147 0.000 1.071 480 L CA 1.176 56.193 54.840 0.295 0.000 0.745 480 L CB -0.670 41.558 42.059 0.283 0.000 0.892 480 L HN 0.258 nan 8.230 nan 0.000 0.431 481 A N -0.148 122.736 122.820 0.107 0.000 1.908 481 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 481 A C 2.478 180.106 177.584 0.074 0.000 1.181 481 A CA 1.798 53.903 52.037 0.112 0.000 0.627 481 A CB -0.766 18.339 19.000 0.176 0.000 0.818 481 A HN 0.437 nan 8.150 nan 0.000 0.445 482 A N -0.600 122.225 122.820 0.009 0.000 1.972 482 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 482 A C 2.139 179.727 177.584 0.007 0.000 1.169 482 A CA 1.485 53.506 52.037 -0.027 0.000 0.635 482 A CB -0.445 18.498 19.000 -0.095 0.000 0.810 482 A HN 0.481 nan 8.150 nan 0.000 0.446 483 L N -1.758 119.491 121.223 0.044 0.000 2.162 483 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 483 L C 2.716 179.639 176.870 0.088 0.000 1.086 483 L CA 0.665 55.554 54.840 0.082 0.000 0.778 483 L CB -0.339 41.813 42.059 0.155 0.000 0.928 483 L HN 0.302 nan 8.230 nan 0.000 0.446 484 R N 0.321 120.873 120.500 0.086 0.000 2.148 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.227 484 R C 1.122 177.460 176.300 0.063 0.000 1.103 484 R CA 0.645 56.785 56.100 0.067 0.000 0.983 484 R CB -0.219 30.104 30.300 0.038 0.000 0.874 484 R HN 0.278 nan 8.270 nan 0.000 0.451 488 N N -0.082 118.662 118.700 0.073 0.000 2.758 488 N HA -0.091 4.649 4.740 -0.000 0.000 0.248 488 N C -1.241 174.325 175.510 0.093 0.000 1.076 488 N CA 1.072 54.169 53.050 0.079 0.000 0.696 488 N CB -0.805 37.732 38.487 0.083 0.000 0.979 488 N HN 0.237 nan 8.380 nan 0.000 0.550 489 V N 0.189 120.160 119.914 0.095 0.000 2.531 489 V HA 0.518 4.638 4.120 -0.000 0.000 0.301 489 V C 0.214 176.367 176.094 0.099 0.000 1.034 489 V CA -0.762 61.607 62.300 0.115 0.000 0.865 489 V CB 1.780 33.683 31.823 0.133 0.000 0.995 489 V HN 0.255 nan 8.190 nan 0.000 0.424 490 S N 3.721 119.476 115.700 0.092 0.000 2.499 490 S HA 0.654 5.124 4.470 -0.000 0.000 0.279 490 S C -0.600 174.045 174.600 0.075 0.000 1.219 490 S CA -0.393 57.849 58.200 0.070 0.000 1.062 490 S CB 0.994 64.223 63.200 0.048 0.000 0.978 490 S HN 0.519 nan 8.310 nan 0.000 0.489 491 V N 7.288 127.242 119.914 0.066 0.000 2.378 491 V HA 0.505 4.625 4.120 -0.000 0.000 0.288 491 V C -0.454 175.655 176.094 0.026 0.000 1.016 491 V CA -0.545 61.793 62.300 0.064 0.000 0.840 491 V CB 1.066 32.943 31.823 0.089 0.000 0.994 491 V HN 0.795 nan 8.190 nan 0.000 0.431 492 I N 4.902 125.468 120.570 -0.008 0.000 2.418 492 I HA 0.578 4.748 4.170 -0.000 0.000 0.287 492 I C 0.024 176.113 176.117 -0.047 0.000 1.008 492 I CA -0.613 60.675 61.300 -0.020 0.000 1.104 492 I CB 1.964 39.946 38.000 -0.030 0.000 1.264 492 I HN 0.507 nan 8.210 nan 0.000 0.438 493 R N 8.121 128.605 120.500 -0.027 0.000 2.505 493 R HA 0.395 4.735 4.340 -0.000 0.000 0.284 493 R C -2.604 173.686 176.300 -0.017 0.000 1.324 493 R CA -1.581 54.494 56.100 -0.042 0.000 1.432 493 R CB 0.970 31.255 30.300 -0.025 0.000 1.107 493 R HN 0.292 nan 8.270 nan 0.000 0.587 494 P HA 0.033 nan 4.420 nan 0.000 0.271 494 P C -0.081 177.216 177.300 -0.004 0.000 1.216 494 P CA 0.164 63.267 63.100 0.005 0.000 0.776 494 P CB 1.618 33.321 31.700 0.005 0.000 0.881 495 A N 2.425 125.255 122.820 0.015 0.000 2.132 495 A HA 0.068 4.388 4.320 -0.000 0.000 0.213 495 A C 0.666 178.240 177.584 -0.017 0.000 1.154 495 A CA 1.134 53.172 52.037 0.001 0.000 0.753 495 A CB -0.455 18.554 19.000 0.016 0.000 0.826 495 A HN 0.710 nan 8.150 nan 0.000 0.469 496 D N -5.030 115.354 120.400 -0.027 0.000 2.851 496 D HA 0.297 4.937 4.640 -0.000 0.000 0.339 496 D C 1.052 177.263 176.300 -0.149 0.000 1.347 496 D CA 0.188 54.141 54.000 -0.078 0.000 0.888 496 D CB 0.133 40.907 40.800 -0.043 0.000 1.431 496 D HN -0.043 nan 8.370 nan 0.000 0.509 497 G N -0.247 108.356 108.800 -0.329 0.000 2.440 497 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 497 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 497 G C 1.082 175.850 174.900 -0.220 0.000 1.154 497 G CA 0.917 45.602 45.100 -0.691 0.000 0.767 497 G HN 0.498 nan 8.290 nan 0.000 0.552 498 N N 0.693 119.387 118.700 -0.010 0.000 2.142 498 N HA -0.055 4.685 4.740 -0.000 0.000 0.186 498 N C 2.111 177.677 175.510 0.093 0.000 1.023 498 N CA 0.899 54.025 53.050 0.126 0.000 0.852 498 N CB -0.290 38.276 38.487 0.132 0.000 0.998 498 N HN 0.484 nan 8.380 nan 0.000 0.424 499 E N 0.584 120.822 120.200 0.063 0.000 2.153 499 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 499 E C 1.940 178.588 176.600 0.080 0.000 0.988 499 E CA 1.181 57.627 56.400 0.077 0.000 0.811 499 E CB -0.009 29.741 29.700 0.084 0.000 0.746 499 E HN 0.416 nan 8.360 nan 0.000 0.466 500 S N 0.164 115.900 115.700 0.060 0.000 2.406 500 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 500 S C 2.160 176.880 174.600 0.200 0.000 1.020 500 S CA 0.708 58.965 58.200 0.096 0.000 0.965 500 S CB -0.264 62.974 63.200 0.062 0.000 0.798 500 S HN 0.025 nan 8.310 nan 0.000 0.488 501 V N 2.480 122.511 119.914 0.194 0.000 2.307 501 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 501 V C 3.191 179.427 176.094 0.237 0.000 1.045 501 V CA 1.626 64.063 62.300 0.228 0.000 1.024 501 V CB -1.494 30.439 31.823 0.183 0.000 0.651 501 V HN 0.665 nan 8.190 nan 0.000 0.449 502 A N 0.049 122.991 122.820 0.203 0.000 1.902 502 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 502 A C 2.418 180.149 177.584 0.245 0.000 1.181 502 A CA 2.121 54.310 52.037 0.254 0.000 0.623 502 A CB -0.764 18.351 19.000 0.192 0.000 0.818 502 A HN 0.567 nan 8.150 nan 0.000 0.443 503 A N -1.769 121.152 122.820 0.167 0.000 1.902 503 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 503 A C 2.016 179.665 177.584 0.109 0.000 1.181 503 A CA 1.322 53.414 52.037 0.092 0.000 0.623 503 A CB -0.861 18.145 19.000 0.010 0.000 0.818 503 A HN 0.755 nan 8.150 nan 0.000 0.443 504 W N -0.209 121.149 121.300 0.097 0.000 2.381 504 W HA -0.112 4.548 4.660 -0.000 0.000 0.301 504 W C 2.619 179.232 176.519 0.157 0.000 1.205 504 W CA 1.616 59.018 57.345 0.095 0.000 1.285 504 W CB -0.002 29.503 29.460 0.075 0.000 1.133 504 W HN 0.325 nan 8.180 nan 0.000 0.521 505 R N 0.295 121.087 120.500 0.486 0.000 2.091 505 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 505 R C 1.974 178.534 176.300 0.433 0.000 1.136 505 R CA 1.794 58.191 56.100 0.495 0.000 0.959 505 R CB -0.690 29.795 30.300 0.307 0.000 0.856 505 R HN 0.236 nan 8.270 nan 0.000 0.437 506 L N 0.004 121.435 121.223 0.347 0.000 2.093 506 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 506 L C 2.681 179.646 176.870 0.159 0.000 1.085 506 L CA 1.083 56.072 54.840 0.248 0.000 0.755 506 L CB -0.463 41.684 42.059 0.147 0.000 0.904 506 L HN 0.314 nan 8.230 nan 0.000 0.435 507 A N -0.015 122.872 122.820 0.111 0.000 1.877 507 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 507 A C 2.204 179.857 177.584 0.115 0.000 1.186 507 A CA 1.603 53.655 52.037 0.025 0.000 0.620 507 A CB -0.692 18.185 19.000 -0.206 0.000 0.822 507 A HN 0.297 nan 8.150 nan 0.000 0.443 508 L N -0.110 121.248 121.223 0.224 0.000 2.141 508 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 508 L C 2.023 178.926 176.870 0.053 0.000 1.094 508 L CA 1.972 56.892 54.840 0.135 0.000 0.763 508 L CB -0.392 41.660 42.059 -0.012 0.000 0.908 508 L HN 0.497 nan 8.230 nan 0.000 0.437 509 E N -1.406 118.876 120.200 0.136 0.000 2.435 509 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 509 E C 0.872 177.536 176.600 0.105 0.000 1.029 509 E CA 0.046 56.529 56.400 0.137 0.000 0.865 509 E CB 0.111 29.952 29.700 0.235 0.000 0.833 509 E HN 0.342 nan 8.360 nan 0.000 0.510 510 S N 0.290 116.046 115.700 0.094 0.000 2.558 510 S HA -0.027 4.443 4.470 -0.000 0.000 0.288 510 S C 1.184 175.825 174.600 0.068 0.000 1.318 510 S CA 0.624 58.869 58.200 0.075 0.000 1.056 510 S CB 0.707 63.941 63.200 0.057 0.000 0.853 510 S HN 0.339 nan 8.310 nan 0.000 0.505 511 T N 0.214 114.809 114.554 0.068 0.000 2.958 511 T HA 0.176 4.526 4.350 -0.000 0.000 0.256 511 T C 0.541 175.287 174.700 0.076 0.000 0.983 511 T CA 0.210 62.351 62.100 0.069 0.000 0.924 511 T CB -0.206 68.701 68.868 0.065 0.000 1.136 511 T HN 0.683 nan 8.240 nan 0.000 0.506 512 N N 1.129 119.872 118.700 0.072 0.000 2.232 512 N HA 0.201 4.941 4.740 -0.000 0.000 0.240 512 N C -0.487 175.071 175.510 0.080 0.000 1.307 512 N CA -0.676 52.422 53.050 0.079 0.000 0.859 512 N CB 0.394 38.922 38.487 0.067 0.000 1.260 512 N HN 0.715 nan 8.380 nan 0.000 0.501 513 K N -1.079 119.365 120.400 0.072 0.000 2.562 513 K HA 0.526 4.846 4.320 -0.000 0.000 0.267 513 K C -3.450 173.185 176.600 0.059 0.000 0.938 513 K CA -1.442 54.890 56.287 0.075 0.000 0.840 513 K CB 2.618 35.161 32.500 0.073 0.000 1.390 513 K HN -0.240 nan 8.250 nan 0.000 0.428 514 P HA 0.116 nan 4.420 nan 0.000 0.274 514 P C -0.858 176.472 177.300 0.049 0.000 1.231 514 P CA -0.167 62.955 63.100 0.035 0.000 0.790 514 P CB 0.920 32.707 31.700 0.145 0.000 0.951 515 T N 0.691 115.224 114.554 -0.035 0.000 2.840 515 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 515 T C -0.392 174.295 174.700 -0.021 0.000 0.991 515 T CA -0.389 61.696 62.100 -0.024 0.000 0.964 515 T CB 1.317 70.132 68.868 -0.087 0.000 0.954 515 T HN 0.428 nan 8.240 nan 0.000 0.438 516 A N 4.164 127.041 122.820 0.095 0.000 2.249 516 A HA 0.710 5.030 4.320 -0.000 0.000 0.314 516 A C -0.217 177.340 177.584 -0.046 0.000 1.290 516 A CA -0.640 51.468 52.037 0.117 0.000 0.893 516 A CB 0.051 19.269 19.000 0.364 0.000 1.165 516 A HN 0.870 nan 8.150 nan 0.000 0.530 517 L N 3.486 124.590 121.223 -0.199 0.000 2.264 517 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 517 L C -0.643 176.127 176.870 -0.167 0.000 1.044 517 L CA -0.652 54.049 54.840 -0.232 0.000 0.807 517 L CB 1.431 43.239 42.059 -0.418 0.000 1.192 517 L HN 0.394 nan 8.230 nan 0.000 0.425 518 V N 5.894 125.695 119.914 -0.188 0.000 2.347 518 V HA 0.483 4.603 4.120 -0.000 0.000 0.280 518 V C 0.058 176.042 176.094 -0.183 0.000 1.021 518 V CA -0.310 61.801 62.300 -0.314 0.000 0.847 518 V CB 1.552 33.065 31.823 -0.517 0.000 0.990 518 V HN 0.537 nan 8.190 nan 0.000 0.444 519 L N 3.960 125.115 121.223 -0.113 0.000 2.371 519 L HA 0.709 5.049 4.340 -0.000 0.000 0.262 519 L C 0.354 177.205 176.870 -0.031 0.000 1.006 519 L CA -0.649 54.167 54.840 -0.040 0.000 0.818 519 L CB 2.736 44.809 42.059 0.024 0.000 1.354 519 L HN 0.685 nan 8.230 nan 0.000 0.415 520 T N -2.636 111.887 114.554 -0.053 0.000 2.922 520 T HA 0.310 4.660 4.350 -0.000 0.000 0.285 520 T C 0.734 175.343 174.700 -0.152 0.000 1.005 520 T CA -0.614 61.429 62.100 -0.095 0.000 1.061 520 T CB 1.993 70.805 68.868 -0.093 0.000 1.007 520 T HN 0.716 nan 8.240 nan 0.000 0.502 521 R N 0.825 121.156 120.500 -0.283 0.000 2.093 521 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 521 R C 1.006 177.189 176.300 -0.195 0.000 1.101 521 R CA 0.527 56.383 56.100 -0.407 0.000 0.979 521 R CB 0.033 29.958 30.300 -0.625 0.000 0.877 521 R HN 0.856 nan 8.270 nan 0.000 0.441 522 Q N 1.422 121.134 119.800 -0.147 0.000 2.227 522 Q HA 0.144 4.484 4.340 -0.000 0.000 0.245 522 Q C -1.175 174.784 176.000 -0.068 0.000 0.926 522 Q CA -0.448 55.300 55.803 -0.092 0.000 0.895 522 Q CB 1.144 29.832 28.738 -0.083 0.000 1.230 522 Q HN -0.063 nan 8.270 nan 0.000 0.450 523 D N 1.769 122.141 120.400 -0.045 0.000 2.455 523 D HA 0.283 4.923 4.640 -0.000 0.000 0.241 523 D C -0.301 175.976 176.300 -0.039 0.000 1.138 523 D CA 0.256 54.235 54.000 -0.034 0.000 0.877 523 D CB 0.529 41.321 40.800 -0.014 0.000 1.187 523 D HN 0.382 nan 8.370 nan 0.000 0.451 524 L N 3.555 124.750 121.223 -0.046 0.000 2.354 524 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 524 L C -2.247 174.604 176.870 -0.033 0.000 1.005 524 L CA -2.016 52.798 54.840 -0.043 0.000 0.819 524 L CB 2.296 44.321 42.059 -0.058 0.000 1.311 524 L HN 0.165 nan 8.230 nan 0.000 0.423 525 P HA 0.126 nan 4.420 nan 0.000 0.278 525 P C -0.645 176.655 177.300 0.000 0.000 1.238 525 P CA -0.342 62.758 63.100 -0.001 0.000 0.794 525 P CB 0.830 32.534 31.700 0.006 0.000 0.955 526 T N 3.087 117.654 114.554 0.022 0.000 2.834 526 T HA 0.212 4.562 4.350 -0.000 0.000 0.298 526 T C 0.484 175.208 174.700 0.040 0.000 0.966 526 T CA 0.026 62.148 62.100 0.037 0.000 1.141 526 T CB -0.309 68.610 68.868 0.084 0.000 0.905 526 T HN 0.184 nan 8.240 nan 0.000 0.535 527 L N 4.017 125.266 121.223 0.043 0.000 2.305 527 L HA 0.262 4.602 4.340 -0.000 0.000 0.281 527 L C 1.760 178.667 176.870 0.061 0.000 1.085 527 L CA -0.484 54.385 54.840 0.049 0.000 0.813 527 L CB 0.772 42.864 42.059 0.055 0.000 1.157 527 L HN 0.756 nan 8.230 nan 0.000 0.436 528 E N 2.855 123.087 120.200 0.052 0.000 2.085 528 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 528 E C 1.858 178.500 176.600 0.069 0.000 0.994 528 E CA 1.353 57.785 56.400 0.053 0.000 0.801 528 E CB -0.021 29.703 29.700 0.041 0.000 0.743 528 E HN 0.991 nan 8.360 nan 0.000 0.453 529 G N 0.617 109.468 108.800 0.085 0.000 2.598 529 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.215 529 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.215 529 G C 1.414 176.433 174.900 0.198 0.000 1.131 529 G CA 0.551 45.728 45.100 0.129 0.000 0.785 529 G HN 0.310 nan 8.290 nan 0.000 0.539 530 A N -0.065 122.855 122.820 0.167 0.000 2.267 530 A HA 0.372 4.692 4.320 -0.000 0.000 0.213 530 A C 1.964 179.594 177.584 0.077 0.000 1.192 530 A CA 1.282 53.419 52.037 0.166 0.000 0.851 530 A CB 0.008 19.119 19.000 0.185 0.000 0.881 530 A HN 0.272 nan 8.150 nan 0.000 0.494 531 K N 1.067 121.510 120.400 0.071 0.000 2.062 531 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 531 K C -0.443 176.179 176.600 0.036 0.000 1.051 531 K CA 1.218 57.540 56.287 0.058 0.000 0.941 531 K CB -0.017 32.517 32.500 0.057 0.000 0.719 531 K HN 0.310 nan 8.250 nan 0.000 0.440 532 D N 1.172 121.587 120.400 0.025 0.000 2.210 532 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 532 D C -0.439 175.853 176.300 -0.012 0.000 1.078 532 D CA 0.132 54.138 54.000 0.011 0.000 0.875 532 D CB 1.292 42.101 40.800 0.015 0.000 1.175 532 D HN 0.192 nan 8.370 nan 0.000 0.440 533 D N 0.776 121.171 120.400 -0.008 0.000 2.772 533 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 533 D C 0.807 177.075 176.300 -0.053 0.000 1.143 533 D CA 0.963 54.952 54.000 -0.017 0.000 0.700 533 D CB -0.876 39.908 40.800 -0.027 0.000 1.076 533 D HN 0.358 nan 8.370 nan 0.000 0.430 534 T N -1.380 113.158 114.554 -0.026 0.000 2.720 534 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 534 T C 1.495 176.178 174.700 -0.030 0.000 1.037 534 T CA 1.531 63.600 62.100 -0.052 0.000 1.144 534 T CB -0.438 68.445 68.868 0.025 0.000 0.864 534 T HN 0.499 nan 8.240 nan 0.000 0.444 535 Y N 2.350 122.606 120.300 -0.074 0.000 2.128 535 Y HA -0.169 4.381 4.550 -0.000 0.000 0.284 535 Y C 2.416 178.272 175.900 -0.073 0.000 1.154 535 Y CA 1.456 59.523 58.100 -0.054 0.000 1.149 535 Y CB -0.271 38.163 38.460 -0.043 0.000 0.976 535 Y HN 0.081 nan 8.280 nan 0.000 0.505 536 E N 0.497 120.608 120.200 -0.149 0.000 2.150 536 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 536 E C 2.052 178.491 176.600 -0.267 0.000 0.985 536 E CA 1.220 57.473 56.400 -0.245 0.000 0.814 536 E CB -0.176 29.463 29.700 -0.100 0.000 0.752 536 E HN 0.564 nan 8.360 nan 0.000 0.466 537 K N 0.334 120.550 120.400 -0.308 0.000 2.001 537 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 537 K C 2.248 178.654 176.600 -0.323 0.000 1.048 537 K CA 1.107 57.090 56.287 -0.506 0.000 0.932 537 K CB -0.118 31.687 32.500 -1.158 0.000 0.715 537 K HN -0.079 nan 8.250 nan 0.000 0.437 538 V N 1.410 121.177 119.914 -0.244 0.000 2.427 538 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 538 V C 2.271 178.312 176.094 -0.088 0.000 1.051 538 V CA 1.905 64.170 62.300 -0.059 0.000 1.048 538 V CB -0.686 31.129 31.823 -0.013 0.000 0.666 538 V HN 0.364 nan 8.190 nan 0.000 0.456 539 A N -0.465 122.212 122.820 -0.238 0.000 1.978 539 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 539 A C 2.172 179.663 177.584 -0.155 0.000 1.170 539 A CA 1.562 53.444 52.037 -0.259 0.000 0.636 539 A CB -0.359 18.357 19.000 -0.474 0.000 0.810 539 A HN 0.390 nan 8.150 nan 0.000 0.448 540 K N -1.507 118.810 120.400 -0.137 0.000 2.432 540 K HA 0.074 4.394 4.320 -0.000 0.000 0.196 540 K C 1.604 178.297 176.600 0.155 0.000 1.038 540 K CA 0.893 57.113 56.287 -0.112 0.000 0.986 540 K CB -0.417 31.951 32.500 -0.220 0.000 0.782 540 K HN 0.747 nan 8.250 nan 0.000 0.485 541 G N 0.653 109.544 108.800 0.153 0.000 2.498 541 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.229 541 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.229 541 G C 0.232 175.228 174.900 0.161 0.000 1.156 541 G CA 0.329 45.545 45.100 0.194 0.000 0.680 541 G HN 0.671 nan 8.290 nan 0.000 0.512 542 A N -0.755 122.191 122.820 0.210 0.000 2.515 542 A HA 0.966 5.286 4.320 -0.000 0.000 0.298 542 A C -0.782 176.953 177.584 0.251 0.000 1.059 542 A CA 0.148 52.143 52.037 -0.070 0.000 0.698 542 A CB 1.390 19.887 19.000 -0.838 0.000 1.289 542 A HN 2.010 nan 8.150 nan 0.000 0.404 543 Y N -1.380 118.925 120.300 0.008 0.000 2.656 543 Y HA 0.647 5.197 4.550 0.000 0.000 0.334 543 Y C -1.135 174.767 175.900 0.003 0.000 1.179 543 Y CA -1.528 56.626 58.100 0.089 0.000 1.050 543 Y CB 0.746 39.291 38.460 0.142 0.000 1.308 543 Y HN 0.428 nan 8.280 nan 0.000 0.456 544 V N 2.933 122.896 119.914 0.082 0.000 2.405 544 V HA 0.067 4.187 4.120 -0.000 0.000 0.264 544 V C 0.785 176.891 176.094 0.020 0.000 1.048 544 V CA 0.137 62.418 62.300 -0.032 0.000 0.966 544 V CB 0.595 32.429 31.823 0.019 0.000 1.015 544 V HN 0.890 nan 8.190 nan 0.000 0.477 545 V N 4.324 124.125 119.914 -0.190 0.000 2.878 545 V HA 0.169 4.289 4.120 -0.000 0.000 0.250 545 V C 1.018 177.122 176.094 0.018 0.000 1.075 545 V CA 1.462 63.726 62.300 -0.061 0.000 1.096 545 V CB 0.942 32.627 31.823 -0.229 0.000 0.724 545 V HN 0.780 nan 8.190 nan 0.000 0.467 546 S N 0.092 115.780 115.700 -0.020 0.000 2.673 546 S HA 0.714 5.184 4.470 -0.000 0.000 0.256 546 S C -0.277 174.319 174.600 -0.007 0.000 1.141 546 S CA -0.115 58.084 58.200 -0.002 0.000 1.109 546 S CB 0.881 64.073 63.200 -0.012 0.000 1.101 546 S HN 0.697 nan 8.310 nan 0.000 0.471 547 A N 3.317 126.142 122.820 0.008 0.000 2.425 547 A HA 0.636 4.956 4.320 -0.000 0.000 0.242 547 A C 0.805 178.387 177.584 -0.002 0.000 1.077 547 A CA -0.137 51.903 52.037 0.005 0.000 0.781 547 A CB 0.070 19.079 19.000 0.016 0.000 1.020 547 A HN 1.240 nan 8.150 nan 0.000 0.494 548 S N 1.088 116.785 115.700 -0.005 0.000 2.614 548 S HA 0.246 4.716 4.470 -0.000 0.000 0.265 548 S C 0.722 175.321 174.600 -0.002 0.000 1.303 548 S CA -0.114 58.082 58.200 -0.007 0.000 1.000 548 S CB 0.849 64.044 63.200 -0.008 0.000 0.935 548 S HN 0.658 nan 8.310 nan 0.000 0.551 549 K N 0.660 121.058 120.400 -0.003 0.000 2.062 549 K HA 0.028 4.348 4.320 -0.000 0.000 0.205 549 K C 0.443 177.043 176.600 0.000 0.000 1.051 549 K CA 0.905 57.192 56.287 -0.001 0.000 0.941 549 K CB -0.134 32.364 32.500 -0.002 0.000 0.719 549 K HN 0.535 nan 8.250 nan 0.000 0.440 550 K N 1.105 121.505 120.400 -0.001 0.000 2.168 550 K HA 0.024 4.344 4.320 -0.000 0.000 0.258 550 K C 0.966 177.567 176.600 0.001 0.000 1.010 550 K CA -0.370 55.917 56.287 0.000 0.000 0.929 550 K CB 0.807 33.306 32.500 -0.001 0.000 0.998 550 K HN -0.064 nan 8.250 nan 0.000 0.479 551 E N 0.978 121.180 120.200 0.003 0.000 2.077 551 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 551 E C -0.081 176.521 176.600 0.003 0.000 0.989 551 E CA 1.267 57.669 56.400 0.004 0.000 0.800 551 E CB 0.193 29.896 29.700 0.005 0.000 0.746 551 E HN 0.478 nan 8.360 nan 0.000 0.452 552 T N 1.264 115.819 114.554 0.002 0.000 2.770 552 T HA 0.523 4.873 4.350 -0.000 0.000 0.297 552 T C -0.305 174.395 174.700 0.000 0.000 0.997 552 T CA -0.204 61.898 62.100 0.002 0.000 0.949 552 T CB 1.363 70.234 68.868 0.004 0.000 0.941 552 T HN 0.176 nan 8.240 nan 0.000 0.457 553 A N 2.715 125.534 122.820 -0.001 0.000 2.466 553 A HA 0.219 4.539 4.320 -0.000 0.000 0.238 553 A C 1.240 178.823 177.584 -0.002 0.000 1.074 553 A CA -0.309 51.726 52.037 -0.003 0.000 0.774 553 A CB 0.183 19.180 19.000 -0.005 0.000 1.015 553 A HN 0.778 nan 8.150 nan 0.000 0.498 554 D N -0.551 119.845 120.400 -0.007 0.000 2.149 554 D HA 0.088 4.728 4.640 -0.000 0.000 0.201 554 D C 0.256 176.553 176.300 -0.004 0.000 0.972 554 D CA 1.556 55.551 54.000 -0.007 0.000 0.835 554 D CB 0.032 40.823 40.800 -0.015 0.000 0.966 554 D HN 0.254 nan 8.370 nan 0.000 0.476 555 V N 0.480 120.391 119.914 -0.006 0.000 3.048 555 V HA 0.348 4.468 4.120 -0.000 0.000 0.303 555 V C -0.597 175.499 176.094 0.003 0.000 1.214 555 V CA -0.874 61.428 62.300 0.002 0.000 0.984 555 V CB 2.908 34.724 31.823 -0.012 0.000 1.054 555 V HN -0.169 nan 8.190 nan 0.000 0.430 556 I N 3.674 124.255 120.570 0.018 0.000 2.378 556 I HA 0.462 4.632 4.170 -0.000 0.000 0.291 556 I C -0.701 175.429 176.117 0.022 0.000 0.992 556 I CA -0.466 60.839 61.300 0.008 0.000 1.154 556 I CB 1.552 39.556 38.000 0.007 0.000 1.315 556 I HN 0.334 nan 8.210 nan 0.000 0.448 557 L N 7.062 128.286 121.223 0.001 0.000 2.275 557 L HA 0.461 4.801 4.340 -0.000 0.000 0.288 557 L C -0.782 176.060 176.870 -0.046 0.000 1.046 557 L CA -0.685 54.164 54.840 0.014 0.000 0.805 557 L CB 0.986 43.048 42.059 0.005 0.000 1.193 557 L HN 0.374 nan 8.230 nan 0.000 0.426 558 L N 3.571 124.746 121.223 -0.080 0.000 2.317 558 L HA 0.879 5.219 4.340 -0.000 0.000 0.281 558 L C 0.030 176.777 176.870 -0.206 0.000 1.024 558 L CA 0.070 54.827 54.840 -0.138 0.000 0.810 558 L CB 1.806 43.803 42.059 -0.103 0.000 1.240 558 L HN 0.753 nan 8.230 nan 0.000 0.427 559 A N 0.887 123.620 122.820 -0.145 0.000 2.609 559 A HA 0.912 5.232 4.320 -0.000 0.000 0.291 559 A C -0.741 176.827 177.584 -0.027 0.000 1.096 559 A CA -0.175 51.787 52.037 -0.124 0.000 0.684 559 A CB 1.878 20.826 19.000 -0.086 0.000 1.282 559 A HN 0.643 nan 8.150 nan 0.000 0.412 560 T N -2.012 112.555 114.554 0.021 0.000 2.896 560 T HA 0.759 5.109 4.350 -0.000 0.000 0.297 560 T C 0.886 175.596 174.700 0.016 0.000 1.108 560 T CA 0.637 62.770 62.100 0.054 0.000 1.004 560 T CB 1.015 69.977 68.868 0.156 0.000 1.159 560 T HN 2.704 nan 8.240 nan 0.000 0.499 561 G N 2.119 110.923 108.800 0.006 0.000 2.652 561 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.318 561 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.318 561 G C 1.293 176.175 174.900 -0.029 0.000 1.295 561 G CA 1.822 46.912 45.100 -0.016 0.000 0.999 561 G HN 2.151 nan 8.290 nan 0.000 0.548 562 S N -0.040 115.632 115.700 -0.047 0.000 2.500 562 S HA 0.034 4.504 4.470 -0.000 0.000 0.239 562 S C 1.648 176.220 174.600 -0.046 0.000 0.989 562 S CA 2.060 60.227 58.200 -0.055 0.000 0.951 562 S CB 0.073 63.226 63.200 -0.078 0.000 0.759 562 S HN 0.604 nan 8.310 nan 0.000 0.523 563 E N 0.888 121.063 120.200 -0.041 0.000 2.478 563 E HA 0.193 4.543 4.350 -0.000 0.000 0.194 563 E C 1.750 178.344 176.600 -0.010 0.000 1.045 563 E CA 0.095 56.486 56.400 -0.014 0.000 0.868 563 E CB -0.237 29.458 29.700 -0.008 0.000 0.885 563 E HN 0.414 nan 8.360 nan 0.000 0.505 564 V N 0.835 120.735 119.914 -0.024 0.000 2.358 564 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 564 V C 2.282 178.364 176.094 -0.021 0.000 1.047 564 V CA 1.935 64.215 62.300 -0.034 0.000 1.035 564 V CB -0.768 31.029 31.823 -0.044 0.000 0.658 564 V HN 0.399 nan 8.190 nan 0.000 0.452 565 S N 0.730 116.423 115.700 -0.012 0.000 2.382 565 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 565 S C 1.975 176.576 174.600 0.001 0.000 1.027 565 S CA 1.727 59.924 58.200 -0.005 0.000 0.991 565 S CB -0.677 62.520 63.200 -0.004 0.000 0.823 565 S HN 0.412 nan 8.310 nan 0.000 0.469 566 L N 2.326 123.556 121.223 0.012 0.000 2.046 566 L HA 0.154 4.494 4.340 -0.000 0.000 0.208 566 L C 2.672 179.552 176.870 0.016 0.000 1.077 566 L CA 1.779 56.636 54.840 0.028 0.000 0.747 566 L CB -1.357 40.745 42.059 0.070 0.000 0.896 566 L HN 0.348 nan 8.230 nan 0.000 0.432 567 A N -1.146 121.679 122.820 0.009 0.000 1.933 567 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 567 A C 2.255 179.828 177.584 -0.020 0.000 1.175 567 A CA 1.925 53.959 52.037 -0.006 0.000 0.628 567 A CB -1.072 17.916 19.000 -0.019 0.000 0.814 567 A HN 0.327 nan 8.150 nan 0.000 0.444 568 V N 0.232 120.135 119.914 -0.019 0.000 2.358 568 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 568 V C 2.554 178.639 176.094 -0.015 0.000 1.047 568 V CA 2.060 64.349 62.300 -0.018 0.000 1.035 568 V CB -0.699 31.117 31.823 -0.012 0.000 0.658 568 V HN 0.496 nan 8.190 nan 0.000 0.452 569 E N 0.516 120.710 120.200 -0.011 0.000 2.077 569 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 569 E C 2.350 178.937 176.600 -0.022 0.000 0.989 569 E CA 1.563 57.956 56.400 -0.011 0.000 0.800 569 E CB -0.608 29.089 29.700 -0.005 0.000 0.746 569 E HN 0.576 nan 8.360 nan 0.000 0.452 570 A N 1.271 124.074 122.820 -0.027 0.000 1.933 570 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 570 A C 2.193 179.745 177.584 -0.053 0.000 1.175 570 A CA 1.764 53.772 52.037 -0.048 0.000 0.628 570 A CB -0.557 18.406 19.000 -0.062 0.000 0.814 570 A HN 0.305 nan 8.150 nan 0.000 0.444 571 Q N 0.012 119.786 119.800 -0.043 0.000 2.096 571 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 571 Q C 1.908 177.888 176.000 -0.034 0.000 0.982 571 Q CA 1.991 57.770 55.803 -0.040 0.000 0.850 571 Q CB -0.168 28.551 28.738 -0.032 0.000 0.901 571 Q HN 0.686 nan 8.270 nan 0.000 0.422 572 K N 0.042 120.426 120.400 -0.027 0.000 2.032 572 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 572 K C 2.123 178.707 176.600 -0.027 0.000 1.048 572 K CA 1.336 57.610 56.287 -0.022 0.000 0.927 572 K CB -0.233 32.258 32.500 -0.016 0.000 0.712 572 K HN 0.284 nan 8.250 nan 0.000 0.441 573 A N 1.154 123.954 122.820 -0.032 0.000 1.969 573 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 573 A C 2.095 179.652 177.584 -0.045 0.000 1.169 573 A CA 1.151 53.166 52.037 -0.037 0.000 0.635 573 A CB -0.526 18.449 19.000 -0.041 0.000 0.810 573 A HN 0.158 nan 8.150 nan 0.000 0.445 574 L N -0.900 120.291 121.223 -0.053 0.000 2.093 574 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 574 L C 3.040 179.884 176.870 -0.043 0.000 1.085 574 L CA 0.963 55.768 54.840 -0.059 0.000 0.755 574 L CB -0.412 41.604 42.059 -0.072 0.000 0.904 574 L HN 0.425 nan 8.230 nan 0.000 0.435 575 A N -0.561 122.238 122.820 -0.035 0.000 1.969 575 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 575 A C 2.297 179.867 177.584 -0.024 0.000 1.169 575 A CA 1.393 53.414 52.037 -0.027 0.000 0.635 575 A CB -0.682 18.306 19.000 -0.021 0.000 0.810 575 A HN 0.204 nan 8.150 nan 0.000 0.445 576 V N 0.595 120.495 119.914 -0.025 0.000 2.490 576 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 576 V C 1.076 177.156 176.094 -0.023 0.000 1.061 576 V CA 2.157 64.444 62.300 -0.022 0.000 1.064 576 V CB -0.642 31.168 31.823 -0.022 0.000 0.670 576 V HN 0.478 nan 8.190 nan 0.000 0.461 577 D N -0.128 120.254 120.400 -0.029 0.000 2.370 577 D HA 0.321 4.961 4.640 -0.000 0.000 0.230 577 D C 1.543 177.826 176.300 -0.028 0.000 1.143 577 D CA 0.820 54.802 54.000 -0.030 0.000 0.834 577 D CB 0.061 40.839 40.800 -0.037 0.000 0.944 577 D HN 0.425 nan 8.370 nan 0.000 0.504 578 G N -0.064 108.721 108.800 -0.025 0.000 2.153 578 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 578 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 578 G C 0.249 175.134 174.900 -0.024 0.000 0.994 578 G CA 0.180 45.267 45.100 -0.022 0.000 0.698 578 G HN 0.316 nan 8.290 nan 0.000 0.521 579 V N 0.863 120.758 119.914 -0.031 0.000 2.347 579 V HA 0.485 4.605 4.120 -0.000 0.000 0.280 579 V C -0.164 175.911 176.094 -0.031 0.000 1.021 579 V CA -0.587 61.692 62.300 -0.034 0.000 0.847 579 V CB 1.779 33.573 31.823 -0.048 0.000 0.990 579 V HN 0.310 nan 8.190 nan 0.000 0.444 580 D N 4.598 124.983 120.400 -0.024 0.000 2.428 580 D HA 0.550 5.190 4.640 -0.000 0.000 0.221 580 D C 0.029 176.316 176.300 -0.021 0.000 1.123 580 D CA -0.001 53.987 54.000 -0.020 0.000 0.869 580 D CB 1.296 42.087 40.800 -0.014 0.000 1.032 580 D HN 0.702 nan 8.370 nan 0.000 0.506 581 A N 2.972 125.776 122.820 -0.026 0.000 2.312 581 A HA 0.578 4.898 4.320 -0.000 0.000 0.326 581 A C 0.131 177.700 177.584 -0.024 0.000 1.172 581 A CA -0.681 51.340 52.037 -0.027 0.000 0.821 581 A CB 1.327 20.303 19.000 -0.038 0.000 1.166 581 A HN 0.435 nan 8.150 nan 0.000 0.493 582 S N 0.448 116.134 115.700 -0.023 0.000 2.585 582 S HA 0.572 5.042 4.470 -0.000 0.000 0.277 582 S C -0.468 174.108 174.600 -0.041 0.000 1.241 582 S CA -0.380 57.803 58.200 -0.028 0.000 1.041 582 S CB 0.633 63.817 63.200 -0.026 0.000 0.987 582 S HN 0.698 nan 8.310 nan 0.000 0.512 583 V N 4.704 124.585 119.914 -0.055 0.000 2.448 583 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 583 V C -0.557 175.456 176.094 -0.136 0.000 1.025 583 V CA -0.677 61.575 62.300 -0.081 0.000 0.859 583 V CB 1.635 33.415 31.823 -0.072 0.000 0.988 583 V HN 0.671 nan 8.190 nan 0.000 0.431 584 V N 3.896 123.710 119.914 -0.167 0.000 2.384 584 V HA 0.487 4.607 4.120 -0.000 0.000 0.287 584 V C 0.391 176.298 176.094 -0.311 0.000 1.020 584 V CA -0.047 62.097 62.300 -0.260 0.000 0.850 584 V CB 1.819 33.502 31.823 -0.233 0.000 0.987 584 V HN 0.936 nan 8.190 nan 0.000 0.436 591 R N 0.010 120.569 120.500 0.097 0.000 2.115 591 R HA 0.077 4.417 4.340 -0.000 0.000 0.230 591 R C 2.212 178.590 176.300 0.130 0.000 1.111 591 R CA 1.303 57.452 56.100 0.083 0.000 0.976 591 R CB -0.367 29.969 30.300 0.060 0.000 0.870 591 R HN 0.123 nan 8.270 nan 0.000 0.445 592 F N 2.509 122.480 119.950 0.035 0.000 2.113 592 F HA -0.140 4.387 4.527 0.000 0.000 0.297 592 F C 2.127 177.990 175.800 0.105 0.000 1.103 592 F CA 1.431 59.476 58.000 0.076 0.000 1.248 592 F CB -0.039 38.986 39.000 0.043 0.000 0.999 592 F HN -0.128 nan 8.300 nan 0.000 0.475 593 E N 0.380 120.614 120.200 0.058 0.000 2.209 593 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 593 E C 2.182 178.736 176.600 -0.076 0.000 0.993 593 E CA 1.028 57.410 56.400 -0.030 0.000 0.819 593 E CB -0.660 29.087 29.700 0.078 0.000 0.745 593 E HN 0.471 nan 8.360 nan 0.000 0.477 594 A N 0.911 123.704 122.820 -0.045 0.000 2.206 594 A HA -0.051 4.269 4.320 -0.000 0.000 0.211 594 A C 1.130 178.670 177.584 -0.073 0.000 1.158 594 A CA 0.235 52.247 52.037 -0.041 0.000 0.761 594 A CB 0.095 19.086 19.000 -0.015 0.000 0.801 594 A HN 0.015 nan 8.150 nan 0.000 0.473 595 Q N 0.457 120.180 119.800 -0.129 0.000 2.316 595 Q HA 0.304 4.644 4.340 -0.000 0.000 0.215 595 Q C 0.567 176.526 176.000 -0.068 0.000 1.020 595 Q CA 0.354 56.091 55.803 -0.110 0.000 0.970 595 Q CB 0.178 28.857 28.738 -0.099 0.000 1.187 595 Q HN 0.473 nan 8.270 nan 0.000 0.546 596 T N -2.977 111.575 114.554 -0.002 0.000 2.828 596 T HA 0.381 4.731 4.350 -0.000 0.000 0.290 596 T C 1.207 175.920 174.700 0.021 0.000 1.019 596 T CA -0.093 62.016 62.100 0.015 0.000 1.031 596 T CB 0.762 69.654 68.868 0.040 0.000 1.001 596 T HN 0.540 nan 8.240 nan 0.000 0.531 597 A N 0.344 123.168 122.820 0.007 0.000 1.940 597 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 597 A C 2.309 179.908 177.584 0.025 0.000 1.176 597 A CA 1.878 53.918 52.037 0.004 0.000 0.631 597 A CB -1.127 17.877 19.000 0.005 0.000 0.814 597 A HN 1.047 nan 8.150 nan 0.000 0.446 598 E N -1.558 118.668 120.200 0.044 0.000 2.058 598 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 598 E C 1.858 178.500 176.600 0.070 0.000 0.997 598 E CA 1.621 58.053 56.400 0.053 0.000 0.801 598 E CB -0.331 29.406 29.700 0.061 0.000 0.746 598 E HN 0.721 nan 8.360 nan 0.000 0.450 599 Y N 1.458 121.765 120.300 0.010 0.000 2.145 599 Y HA -0.176 4.374 4.550 0.000 0.000 0.286 599 Y C 2.039 177.989 175.900 0.084 0.000 1.145 599 Y CA 1.959 60.083 58.100 0.040 0.000 1.148 599 Y CB -0.005 38.470 38.460 0.024 0.000 0.981 599 Y HN -0.083 nan 8.280 nan 0.000 0.507 600 K N -0.244 120.156 120.400 -0.001 0.000 2.063 600 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 600 K C 2.008 178.638 176.600 0.050 0.000 1.048 600 K CA 1.700 57.992 56.287 0.009 0.000 0.928 600 K CB -0.242 32.189 32.500 -0.116 0.000 0.713 600 K HN 0.261 nan 8.250 nan 0.000 0.442 601 E N 1.313 121.517 120.200 0.006 0.000 2.153 601 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 601 E C 1.802 178.386 176.600 -0.027 0.000 0.988 601 E CA 1.823 58.229 56.400 0.011 0.000 0.811 601 E CB -0.095 29.612 29.700 0.012 0.000 0.746 601 E HN 0.257 nan 8.360 nan 0.000 0.466 602 S N -1.228 114.411 115.700 -0.101 0.000 2.453 602 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 602 S C 1.899 176.413 174.600 -0.143 0.000 1.005 602 S CA 0.914 59.040 58.200 -0.124 0.000 0.949 602 S CB -0.068 63.038 63.200 -0.157 0.000 0.774 602 S HN 0.135 nan 8.310 nan 0.000 0.510 603 V N 0.838 120.647 119.914 -0.176 0.000 2.575 603 V HA 0.346 4.466 4.120 -0.000 0.000 0.242 603 V C 0.938 177.011 176.094 -0.036 0.000 1.045 603 V CA 0.769 62.998 62.300 -0.119 0.000 1.065 603 V CB -0.361 31.385 31.823 -0.127 0.000 0.717 603 V HN 0.452 nan 8.190 nan 0.000 0.467 604 L N 2.464 123.713 121.223 0.043 0.000 2.502 604 L HA 0.388 4.728 4.340 -0.000 0.000 0.247 604 L C -2.645 174.268 176.870 0.071 0.000 1.180 604 L CA -1.579 53.305 54.840 0.074 0.000 0.956 604 L CB 1.161 43.319 42.059 0.165 0.000 1.282 604 L HN 0.168 nan 8.230 nan 0.000 0.470 605 P HA 0.009 nan 4.420 nan 0.000 0.264 605 P C 0.505 177.829 177.300 0.040 0.000 1.193 605 P CA -0.144 62.974 63.100 0.030 0.000 0.763 605 P CB 0.615 32.325 31.700 0.016 0.000 0.810 606 K N 2.662 123.085 120.400 0.040 0.000 2.209 606 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 606 K C 1.571 178.191 176.600 0.032 0.000 1.048 606 K CA 1.539 57.850 56.287 0.040 0.000 0.940 606 K CB -0.728 31.792 32.500 0.034 0.000 0.729 606 K HN 0.311 nan 8.250 nan 0.000 0.451 607 A N 1.538 124.374 122.820 0.026 0.000 2.066 607 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 607 A C 0.927 178.525 177.584 0.022 0.000 1.157 607 A CA 0.438 52.487 52.037 0.021 0.000 0.670 607 A CB -0.033 18.977 19.000 0.016 0.000 0.804 607 A HN 0.121 nan 8.150 nan 0.000 0.453 608 V N 1.785 121.714 119.914 0.026 0.000 2.339 608 V HA 0.184 4.304 4.120 -0.000 0.000 0.261 608 V C 1.303 177.418 176.094 0.036 0.000 1.058 608 V CA 0.601 62.917 62.300 0.026 0.000 0.897 608 V CB 0.405 32.242 31.823 0.023 0.000 1.052 608 V HN 0.589 nan 8.190 nan 0.000 0.480 609 T N 0.627 115.201 114.554 0.034 0.000 3.069 609 T HA 0.181 4.531 4.350 -0.000 0.000 0.252 609 T C 0.672 175.400 174.700 0.047 0.000 1.053 609 T CA -0.277 61.848 62.100 0.041 0.000 0.964 609 T CB 0.120 69.009 68.868 0.035 0.000 1.005 609 T HN 0.316 nan 8.240 nan 0.000 0.532 610 K N 2.819 123.244 120.400 0.042 0.000 2.250 610 K HA 0.389 4.709 4.320 -0.000 0.000 0.285 610 K C -0.306 176.332 176.600 0.063 0.000 1.097 610 K CA 0.088 56.405 56.287 0.050 0.000 0.913 610 K CB 0.716 33.236 32.500 0.034 0.000 1.179 610 K HN 0.455 nan 8.250 nan 0.000 0.462 611 R N 2.243 122.794 120.500 0.085 0.000 2.574 611 R HA 0.414 4.754 4.340 -0.000 0.000 0.288 611 R C -1.133 175.238 176.300 0.118 0.000 1.004 611 R CA -0.743 55.410 56.100 0.088 0.000 0.895 611 R CB 1.560 31.906 30.300 0.076 0.000 1.191 611 R HN 0.333 nan 8.270 nan 0.000 0.444 612 F N 1.864 121.775 119.950 -0.064 0.000 2.539 612 F HA 0.603 5.130 4.527 -0.000 0.000 0.328 612 F C -0.797 174.895 175.800 -0.180 0.000 1.148 612 F CA -0.452 57.484 58.000 -0.107 0.000 0.940 612 F CB 1.548 40.490 39.000 -0.096 0.000 1.194 612 F HN 0.644 nan 8.300 nan 0.000 0.438 613 A N 6.714 129.168 122.820 -0.610 0.000 2.312 613 A HA 0.848 5.168 4.320 -0.000 0.000 0.328 613 A C -1.031 176.105 177.584 -0.747 0.000 1.158 613 A CA -0.571 51.035 52.037 -0.718 0.000 0.821 613 A CB 0.689 19.047 19.000 -1.070 0.000 1.170 613 A HN 0.717 nan 8.150 nan 0.000 0.490 614 I N 1.230 121.468 120.570 -0.555 0.000 2.478 614 I HA 0.542 4.712 4.170 -0.000 0.000 0.287 614 I C -0.235 175.756 176.117 -0.210 0.000 1.042 614 I CA 0.006 61.165 61.300 -0.235 0.000 1.067 614 I CB 1.863 39.875 38.000 0.021 0.000 1.233 614 I HN 0.951 nan 8.210 nan 0.000 0.431 618 A N -0.474 122.441 122.820 0.158 0.000 2.555 618 A HA 0.465 4.785 4.320 -0.000 0.000 0.233 618 A C 1.834 179.589 177.584 0.286 0.000 1.060 618 A CA 1.337 53.477 52.037 0.171 0.000 0.759 618 A CB -0.010 19.066 19.000 0.127 0.000 0.995 618 A HN 2.007 nan 8.150 nan 0.000 0.506 619 T N 0.072 114.787 114.554 0.269 0.000 3.055 619 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 619 T C 0.478 175.426 174.700 0.414 0.000 1.111 619 T CA 0.407 62.700 62.100 0.322 0.000 1.118 619 T CB -0.529 68.463 68.868 0.205 0.000 0.909 619 T HN 0.415 nan 8.240 nan 0.000 0.501 620 F N 2.710 122.779 119.950 0.199 0.000 2.604 620 F HA 0.332 4.859 4.527 -0.000 0.000 0.393 620 F C 1.609 177.468 175.800 0.097 0.000 1.043 620 F CA 1.384 59.470 58.000 0.144 0.000 1.227 620 F CB -0.088 38.953 39.000 0.068 0.000 1.016 620 F HN 0.426 nan 8.300 nan 0.000 0.556 621 G N 4.204 112.837 108.800 -0.278 0.000 2.234 621 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.235 621 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.235 621 G C 0.798 175.569 174.900 -0.214 0.000 0.997 621 G CA 0.255 45.195 45.100 -0.267 0.000 0.623 621 G HN 0.771 nan 8.290 nan 0.000 0.514 622 W N 1.001 122.251 121.300 -0.083 0.000 2.584 622 W HA 0.227 4.887 4.660 0.000 0.000 0.264 622 W C 2.297 178.677 176.519 -0.233 0.000 1.264 622 W CA 1.188 58.461 57.345 -0.121 0.000 1.306 622 W CB -0.038 29.293 29.460 -0.216 0.000 1.110 622 W HN 0.413 nan 8.180 nan 0.000 0.606 623 H N -0.264 118.850 119.070 0.073 0.000 2.546 623 H HA -0.009 4.547 4.556 -0.000 0.000 0.277 623 H C 1.978 177.243 175.328 -0.105 0.000 1.004 623 H CA 1.104 57.150 56.048 -0.004 0.000 1.231 623 H CB -0.041 29.692 29.762 -0.048 0.000 1.382 623 H HN 0.104 nan 8.280 nan 0.000 0.580 624 R N 1.101 121.495 120.500 -0.178 0.000 2.127 624 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 624 R C 1.026 177.002 176.300 -0.541 0.000 1.134 624 R CA 1.513 57.348 56.100 -0.441 0.000 0.975 624 R CB -0.422 29.444 30.300 -0.724 0.000 0.865 624 R HN 0.260 nan 8.270 nan 0.000 0.447 625 Y N -1.438 118.917 120.300 0.092 0.000 2.500 625 Y HA 0.127 4.677 4.550 -0.000 0.000 0.284 625 Y C 2.017 177.976 175.900 0.098 0.000 1.118 625 Y CA 0.576 58.749 58.100 0.122 0.000 1.241 625 Y CB -0.010 38.555 38.460 0.176 0.000 1.171 625 Y HN 0.029 nan 8.280 nan 0.000 0.540 626 V N -2.571 117.451 119.914 0.180 0.000 3.174 626 V HA 0.582 4.702 4.120 -0.000 0.000 0.254 626 V C 1.126 177.275 176.094 0.090 0.000 1.120 626 V CA 0.473 62.832 62.300 0.099 0.000 1.114 626 V CB -0.645 31.176 31.823 -0.004 0.000 0.756 626 V HN 0.442 nan 8.190 nan 0.000 0.467 627 G N 0.414 109.275 108.800 0.101 0.000 2.796 627 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.226 627 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.226 627 G C 0.111 175.079 174.900 0.113 0.000 1.381 627 G CA 0.014 45.168 45.100 0.089 0.000 0.867 627 G HN 0.478 nan 8.290 nan 0.000 0.552 628 L N -0.213 121.048 121.223 0.065 0.000 2.141 628 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 628 L C 2.619 179.522 176.870 0.055 0.000 1.094 628 L CA 1.990 56.858 54.840 0.047 0.000 0.763 628 L CB -0.345 41.724 42.059 0.017 0.000 0.908 628 L HN 0.730 nan 8.230 nan 0.000 0.437 629 E N -0.211 120.022 120.200 0.054 0.000 2.474 629 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 629 E C 1.159 177.798 176.600 0.065 0.000 1.041 629 E CA 0.061 56.492 56.400 0.051 0.000 0.874 629 E CB 0.315 30.040 29.700 0.041 0.000 0.914 629 E HN 0.449 nan 8.360 nan 0.000 0.498 630 G N 0.356 109.201 108.800 0.075 0.000 2.531 630 G HA2 0.264 4.224 3.960 -0.000 0.000 0.281 630 G HA3 0.264 4.224 3.960 -0.000 0.000 0.281 630 G C -0.723 174.211 174.900 0.056 0.000 1.382 630 G CA -0.194 44.948 45.100 0.071 0.000 1.045 630 G HN -0.010 nan 8.290 nan 0.000 0.533 631 D N -2.966 117.417 120.400 -0.027 0.000 2.615 631 D HA 0.545 5.185 4.640 -0.000 0.000 0.267 631 D C -1.293 174.670 176.300 -0.561 0.000 1.236 631 D CA -0.256 53.656 54.000 -0.148 0.000 0.839 631 D CB 2.109 42.923 40.800 0.023 0.000 1.380 631 D HN 0.324 nan 8.370 nan 0.000 0.433 632 V N 1.541 121.097 119.914 -0.597 0.000 2.686 632 V HA 0.427 4.547 4.120 -0.000 0.000 0.306 632 V C -0.848 174.888 176.094 -0.597 0.000 1.065 632 V CA -0.857 61.006 62.300 -0.728 0.000 0.894 632 V CB 1.656 33.196 31.823 -0.472 0.000 1.004 632 V HN 0.518 nan 8.190 nan 0.000 0.424 633 L N 4.907 125.732 121.223 -0.663 0.000 2.270 633 L HA 0.890 5.230 4.340 -0.000 0.000 0.286 633 L C 0.381 177.179 176.870 -0.119 0.000 1.059 633 L CA 0.786 55.443 54.840 -0.304 0.000 0.839 633 L CB 0.282 42.235 42.059 -0.176 0.000 1.221 633 L HN 0.785 nan 8.230 nan 0.000 0.431 634 G N 4.797 113.592 108.800 -0.009 0.000 3.243 634 G HA2 0.664 4.624 3.960 -0.000 0.000 0.248 634 G HA3 0.664 4.624 3.960 -0.000 0.000 0.248 634 G C -1.162 173.905 174.900 0.278 0.000 1.267 634 G CA -0.680 44.530 45.100 0.183 0.000 0.906 634 G HN 0.414 nan 8.290 nan 0.000 0.592 635 I N 0.528 121.245 120.570 0.244 0.000 2.500 635 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 635 I C -1.154 175.026 176.117 0.104 0.000 1.063 635 I CA -0.496 60.940 61.300 0.225 0.000 1.062 635 I CB 2.479 40.668 38.000 0.315 0.000 1.223 635 I HN 0.273 nan 8.210 nan 0.000 0.435 636 D N 4.094 124.517 120.400 0.038 0.000 2.593 636 D HA 0.137 4.777 4.640 -0.000 0.000 0.241 636 D C 0.353 176.586 176.300 -0.112 0.000 1.257 636 D CA 0.329 54.310 54.000 -0.030 0.000 0.828 636 D CB 1.034 41.834 40.800 -0.000 0.000 1.049 636 D HN 0.649 nan 8.370 nan 0.000 0.490 637 T N -3.312 111.183 114.554 -0.097 0.000 2.864 637 T HA 0.573 4.923 4.350 -0.000 0.000 0.289 637 T C 0.104 174.724 174.700 -0.134 0.000 1.082 637 T CA -0.728 61.288 62.100 -0.141 0.000 1.009 637 T CB 1.282 70.127 68.868 -0.038 0.000 1.234 637 T HN -0.270 nan 8.240 nan 0.000 0.526 638 F N 0.383 120.395 119.950 0.102 0.000 2.390 638 F HA 0.600 5.127 4.527 -0.000 0.000 0.307 638 F C 1.694 177.613 175.800 0.198 0.000 1.227 638 F CA 0.467 58.532 58.000 0.108 0.000 1.179 638 F CB 0.080 39.118 39.000 0.062 0.000 1.280 638 F HN 0.977 nan 8.300 nan 0.000 0.548 639 G N -0.699 108.311 108.800 0.349 0.000 2.666 639 G HA2 0.636 4.596 3.960 -0.000 0.000 0.207 639 G HA3 0.636 4.596 3.960 -0.000 0.000 0.207 639 G C -1.361 173.635 174.900 0.161 0.000 1.481 639 G CA 0.033 45.232 45.100 0.165 0.000 1.071 639 G HN 0.899 nan 8.290 nan 0.000 0.572 640 A N -1.901 120.937 122.820 0.030 0.000 2.610 640 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 640 A C -0.629 176.954 177.584 -0.001 0.000 1.086 640 A CA -0.106 51.961 52.037 0.051 0.000 0.677 640 A CB 1.172 20.228 19.000 0.093 0.000 1.278 640 A HN 1.202 nan 8.150 nan 0.000 0.414 641 S N -0.043 115.662 115.700 0.008 0.000 2.423 641 S HA 0.719 5.189 4.470 -0.000 0.000 0.317 641 S C -0.250 174.345 174.600 -0.009 0.000 1.065 641 S CA 0.480 58.672 58.200 -0.013 0.000 1.111 641 S CB -0.144 63.048 63.200 -0.013 0.000 0.968 641 S HN 2.323 nan 8.310 nan 0.000 0.474 642 A N 5.849 128.656 122.820 -0.022 0.000 2.549 642 A HA 0.672 4.992 4.320 -0.000 0.000 0.291 642 A C -3.282 174.287 177.584 -0.026 0.000 1.034 642 A CA -1.222 50.806 52.037 -0.014 0.000 0.655 642 A CB 0.293 19.293 19.000 -0.000 0.000 1.299 642 A HN 0.534 nan 8.150 nan 0.000 0.427 643 P HA 0.129 nan 4.420 nan 0.000 0.263 643 P C 1.246 178.526 177.300 -0.033 0.000 1.175 643 P CA 1.173 64.260 63.100 -0.022 0.000 0.761 643 P CB 0.624 32.317 31.700 -0.010 0.000 0.794 644 G N 2.886 111.660 108.800 -0.045 0.000 2.442 644 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 644 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 644 G C 1.175 176.045 174.900 -0.051 0.000 1.141 644 G CA 0.480 45.541 45.100 -0.065 0.000 0.763 644 G HN 0.537 nan 8.290 nan 0.000 0.554 645 E N 0.084 120.267 120.200 -0.029 0.000 2.110 645 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 645 E C 2.373 178.978 176.600 0.009 0.000 0.988 645 E CA 1.174 57.569 56.400 -0.008 0.000 0.804 645 E CB -0.036 29.663 29.700 -0.002 0.000 0.745 645 E HN 0.324 nan 8.360 nan 0.000 0.458 646 K N 1.346 121.749 120.400 0.005 0.000 2.026 646 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 646 K C 0.915 177.537 176.600 0.037 0.000 1.048 646 K CA 0.805 57.107 56.287 0.024 0.000 0.929 646 K CB -0.322 32.189 32.500 0.019 0.000 0.713 646 K HN -0.016 nan 8.250 nan 0.000 0.439 650 E N 0.250 120.562 120.200 0.187 0.000 2.153 650 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 650 E C 1.129 177.891 176.600 0.271 0.000 0.988 650 E CA 1.042 57.568 56.400 0.209 0.000 0.811 650 E CB -0.062 29.785 29.700 0.243 0.000 0.746 650 E HN 0.403 nan 8.360 nan 0.000 0.466 651 Y N 0.029 120.391 120.300 0.104 0.000 2.529 651 Y HA 0.174 4.724 4.550 -0.000 0.000 0.290 651 Y C 1.660 177.549 175.900 -0.019 0.000 1.177 651 Y CA 0.579 58.755 58.100 0.126 0.000 1.305 651 Y CB 0.209 38.837 38.460 0.281 0.000 1.047 651 Y HN 0.156 nan 8.280 nan 0.000 0.522 652 G N -0.946 107.890 108.800 0.059 0.000 2.157 652 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 652 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 652 G C 0.042 174.735 174.900 -0.345 0.000 0.982 652 G CA -0.373 44.622 45.100 -0.176 0.000 0.650 652 G HN 0.232 nan 8.290 nan 0.000 0.527 653 F N 2.898 122.890 119.950 0.069 0.000 2.640 653 F HA 0.498 5.025 4.527 -0.000 0.000 0.354 653 F C 1.220 177.034 175.800 0.024 0.000 1.213 653 F CA 0.590 58.616 58.000 0.042 0.000 1.314 653 F CB 0.322 39.343 39.000 0.036 0.000 1.679 653 F HN 0.266 nan 8.300 nan 0.000 0.622 654 T N -3.774 110.816 114.554 0.060 0.000 2.906 654 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 654 T C 0.766 175.468 174.700 0.004 0.000 1.075 654 T CA -0.755 61.369 62.100 0.041 0.000 1.005 654 T CB 1.655 70.535 68.868 0.020 0.000 1.136 654 T HN -0.114 nan 8.240 nan 0.000 0.498 655 V N 1.194 121.109 119.914 0.001 0.000 2.287 655 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 655 V C 2.816 178.881 176.094 -0.047 0.000 1.053 655 V CA 2.532 64.819 62.300 -0.022 0.000 1.027 655 V CB -0.890 30.923 31.823 -0.018 0.000 0.646 655 V HN 1.096 nan 8.190 nan 0.000 0.447 656 E N 0.558 120.735 120.200 -0.038 0.000 2.058 656 E HA -0.334 4.016 4.350 -0.000 0.000 0.194 656 E C 2.042 178.601 176.600 -0.070 0.000 0.997 656 E CA 2.072 58.443 56.400 -0.049 0.000 0.801 656 E CB -0.262 29.417 29.700 -0.034 0.000 0.746 656 E HN 0.632 nan 8.360 nan 0.000 0.450 657 N N -0.210 118.449 118.700 -0.069 0.000 2.142 657 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 657 N C 1.782 177.217 175.510 -0.126 0.000 1.023 657 N CA 1.375 54.371 53.050 -0.090 0.000 0.852 657 N CB -0.042 38.387 38.487 -0.096 0.000 0.998 657 N HN 0.072 nan 8.380 nan 0.000 0.424 658 V N -0.164 119.673 119.914 -0.129 0.000 2.295 658 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 658 V C 2.304 178.202 176.094 -0.326 0.000 1.049 658 V CA 1.433 63.612 62.300 -0.202 0.000 1.024 658 V CB -0.587 31.165 31.823 -0.119 0.000 0.648 658 V HN 0.166 nan 8.190 nan 0.000 0.447 659 V N 0.176 119.962 119.914 -0.212 0.000 2.287 659 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 659 V C 2.595 178.568 176.094 -0.201 0.000 1.053 659 V CA 2.575 64.756 62.300 -0.199 0.000 1.027 659 V CB -0.838 30.910 31.823 -0.124 0.000 0.646 659 V HN 0.541 nan 8.190 nan 0.000 0.447 660 R N 0.327 120.732 120.500 -0.159 0.000 2.083 660 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 660 R C 2.356 178.563 176.300 -0.155 0.000 1.137 660 R CA 1.914 57.937 56.100 -0.128 0.000 0.951 660 R CB -0.204 30.041 30.300 -0.091 0.000 0.851 660 R HN 0.467 nan 8.270 nan 0.000 0.434 661 K N -0.139 120.136 120.400 -0.208 0.000 2.155 661 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 661 K C 2.016 178.433 176.600 -0.304 0.000 1.052 661 K CA 1.053 57.238 56.287 -0.170 0.000 0.948 661 K CB 0.127 32.614 32.500 -0.022 0.000 0.728 661 K HN 0.063 nan 8.250 nan 0.000 0.448 662 V N 1.989 121.560 119.914 -0.573 0.000 2.358 662 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 662 V C 2.012 177.976 176.094 -0.217 0.000 1.047 662 V CA 1.695 63.683 62.300 -0.521 0.000 1.035 662 V CB -0.303 31.189 31.823 -0.551 0.000 0.658 662 V HN 0.283 nan 8.190 nan 0.000 0.452 663 K N -0.128 120.166 120.400 -0.177 0.000 2.057 663 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 663 K C 1.039 177.599 176.600 -0.066 0.000 1.050 663 K CA 0.770 56.996 56.287 -0.102 0.000 0.935 663 K CB -0.121 32.325 32.500 -0.091 0.000 0.715 663 K HN 0.588 nan 8.250 nan 0.000 0.439 666 L N 0.000 121.218 121.223 -0.008 0.000 2.949 666 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 666 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 666 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 666 L HN 0.000 nan 8.230 nan 0.000 0.502