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 3m34_1_A DATA FIRST_RESID 2 DATA SEQUENCE NIQILQEQAN TLRFLSADXV QKANSGHPGA PLGLADILSV LSYHLKHNPK DATA SEQUENCE NPTWLNRDRL VFSGGHASAL LYSFLHLSGY DLSLEDLKNF RQLHSKTPGH DATA SEQUENCE PEISTLGVEI ATGPLGQGVA NAVGFAXAAK KAQNLLGSDL IDHKIYCLCG DATA SEQUENCE DGDLQEGISY EACSLAGLHK LDNFILIYDS NNISIEGDVG LAFNENVKXR DATA SEQUENCE FEAQGFEVLS INGHDYEEIN KALEQAKKST KPCLIIAKTT IAKGAGELEG DATA SEQUENCE SHKSHGAPLG EEVIKKAKEQ AGFDPNISFH IPQASKIRFE SAVELGDLEE DATA SEQUENCE AKWKDKLEKS AKKELLERLL NPDFNKIAYP DFKGKDLATR DSNGEILNVL DATA SEQUENCE AKNLEGFLGG SADLGPSNKT ELHSXGDFVE GKNIHFGIRE HAXAAINNAF DATA SEQUENCE ARYGIFLPFS ATFFIFSEYL KPAARIAALX KIKHFFIFTH DSIGVGEDGP DATA SEQUENCE THQPIEQLST FRAXPNFLTF RPADGVENVK AWQIALNADI PSAFVLSRQK DATA SEQUENCE LKALNEPVFG DVKNGAYLLK ESKEAKFTLL ASGSEVWLCL ESANELEKQG DATA SEQUENCE FACNVVSXPC FELFEKQDKA YQERLLKGEV IGVEAAHSNE LYKFCHKVYG DATA SEQUENCE IESFGESGKD KDVFERFGFS VSKLVNFILS K 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.406 175.510 -0.173 0.000 1.280 2 N CA 0.000 52.967 53.050 -0.138 0.000 0.885 2 N CB 0.000 38.437 38.487 -0.084 0.000 1.341 3 I N 1.044 121.538 120.570 -0.126 0.000 2.286 3 I HA -0.202 3.975 4.170 0.012 0.000 0.248 3 I C 2.372 178.393 176.117 -0.161 0.000 1.115 3 I CA 1.687 62.895 61.300 -0.154 0.000 1.392 3 I CB -1.454 36.541 38.000 -0.007 0.000 1.065 3 I HN 0.573 nan 8.210 nan 0.000 0.418 4 Q N 0.094 119.843 119.800 -0.085 0.000 2.079 4 Q HA -0.147 4.200 4.340 0.012 0.000 0.200 4 Q C 2.242 178.205 176.000 -0.061 0.000 0.974 4 Q CA 1.287 57.063 55.803 -0.046 0.000 0.840 4 Q CB -0.503 28.223 28.738 -0.020 0.000 0.898 4 Q HN 0.409 nan 8.270 nan 0.000 0.430 5 I N -0.095 120.423 120.570 -0.086 0.000 2.315 5 I HA -0.157 4.021 4.170 0.012 0.000 0.248 5 I C 1.605 177.650 176.117 -0.121 0.000 1.117 5 I CA 1.183 62.439 61.300 -0.073 0.000 1.404 5 I CB -0.128 37.840 38.000 -0.054 0.000 1.071 5 I HN 0.168 nan 8.210 nan 0.000 0.419 6 L N -0.194 120.877 121.223 -0.253 0.000 2.093 6 L HA -0.220 4.128 4.340 0.012 0.000 0.208 6 L C 2.575 179.229 176.870 -0.360 0.000 1.085 6 L CA 1.673 56.272 54.840 -0.403 0.000 0.755 6 L CB -0.696 40.888 42.059 -0.793 0.000 0.904 6 L HN 0.391 nan 8.230 nan 0.000 0.435 7 Q N 0.271 119.886 119.800 -0.308 0.000 2.084 7 Q HA -0.278 4.069 4.340 0.012 0.000 0.202 7 Q C 2.138 178.207 176.000 0.115 0.000 0.978 7 Q CA 1.896 57.696 55.803 -0.005 0.000 0.844 7 Q CB -0.020 28.763 28.738 0.075 0.000 0.898 7 Q HN 0.480 nan 8.270 nan 0.000 0.426 8 E N -0.123 120.142 120.200 0.108 0.000 2.072 8 E HA -0.239 4.119 4.350 0.012 0.000 0.191 8 E C 2.080 178.841 176.600 0.268 0.000 0.985 8 E CA 1.187 57.725 56.400 0.230 0.000 0.801 8 E CB 0.032 29.822 29.700 0.149 0.000 0.750 8 E HN 0.481 nan 8.360 nan 0.000 0.452 9 Q N -0.155 119.738 119.800 0.155 0.000 2.061 9 Q HA -0.173 4.175 4.340 0.012 0.000 0.204 9 Q C 2.180 178.394 176.000 0.358 0.000 0.984 9 Q CA 1.506 57.452 55.803 0.239 0.000 0.846 9 Q CB -0.161 28.512 28.738 -0.108 0.000 0.902 9 Q HN 0.325 nan 8.270 nan 0.000 0.421 10 A N 1.221 124.178 122.820 0.230 0.000 1.930 10 A HA -0.182 4.145 4.320 0.012 0.000 0.217 10 A C 1.725 179.340 177.584 0.050 0.000 1.175 10 A CA 1.455 53.609 52.037 0.195 0.000 0.627 10 A CB -0.376 18.770 19.000 0.243 0.000 0.815 10 A HN 0.287 nan 8.150 nan 0.000 0.443 11 N N -0.305 118.411 118.700 0.027 0.000 2.270 11 N HA -0.077 4.671 4.740 0.012 0.000 0.181 11 N C 1.649 176.987 175.510 -0.286 0.000 1.016 11 N CA 1.655 54.547 53.050 -0.263 0.000 0.870 11 N CB -0.666 37.755 38.487 -0.109 0.000 0.979 11 N HN 0.475 nan 8.380 nan 0.000 0.431 12 T N 1.806 116.466 114.554 0.177 0.000 2.708 12 T HA -0.028 4.329 4.350 0.012 0.000 0.266 12 T C 2.123 176.884 174.700 0.101 0.000 1.037 12 T CA 0.730 63.009 62.100 0.299 0.000 1.146 12 T CB -0.225 68.901 68.868 0.429 0.000 0.865 12 T HN 0.142 nan 8.240 nan 0.000 0.435 13 L N 0.299 121.565 121.223 0.071 0.000 2.017 13 L HA -0.095 4.253 4.340 0.012 0.000 0.208 13 L C 2.938 179.733 176.870 -0.126 0.000 1.073 13 L CA 1.407 56.241 54.840 -0.011 0.000 0.745 13 L CB -0.478 41.609 42.059 0.046 0.000 0.894 13 L HN 0.170 nan 8.230 nan 0.000 0.432 14 R N -0.557 119.782 120.500 -0.268 0.000 2.080 14 R HA -0.181 4.166 4.340 0.012 0.000 0.236 14 R C 2.218 178.264 176.300 -0.424 0.000 1.137 14 R CA 1.697 57.528 56.100 -0.447 0.000 0.943 14 R CB -0.466 29.356 30.300 -0.797 0.000 0.846 14 R HN 0.212 nan 8.270 nan 0.000 0.431 15 F N 0.536 120.361 119.950 -0.208 0.000 2.416 15 F HA 0.037 4.572 4.527 0.013 0.000 0.296 15 F C 2.140 177.803 175.800 -0.230 0.000 1.099 15 F CA 0.458 58.315 58.000 -0.238 0.000 1.427 15 F CB -0.516 38.286 39.000 -0.331 0.000 1.079 15 F HN -0.075 nan 8.300 nan 0.000 0.536 16 L N -0.843 120.356 121.223 -0.040 0.000 2.012 16 L HA -0.245 4.102 4.340 0.012 0.000 0.210 16 L C 2.503 179.250 176.870 -0.205 0.000 1.073 16 L CA 1.472 56.233 54.840 -0.131 0.000 0.748 16 L CB -0.866 41.182 42.059 -0.018 0.000 0.891 16 L HN 0.062 nan 8.230 nan 0.000 0.431 17 S N -0.139 115.461 115.700 -0.167 0.000 2.356 17 S HA -0.172 4.305 4.470 0.012 0.000 0.223 17 S C 2.172 176.657 174.600 -0.192 0.000 1.032 17 S CA 1.221 59.298 58.200 -0.204 0.000 1.005 17 S CB -0.340 62.760 63.200 -0.166 0.000 0.867 17 S HN 0.503 nan 8.310 nan 0.000 0.449 18 A N 1.711 124.450 122.820 -0.135 0.000 1.902 18 A HA -0.063 4.264 4.320 0.012 0.000 0.217 18 A C 1.084 178.602 177.584 -0.110 0.000 1.181 18 A CA 1.021 53.011 52.037 -0.079 0.000 0.623 18 A CB -0.489 18.517 19.000 0.010 0.000 0.818 18 A HN 0.343 nan 8.150 nan 0.000 0.443 22 Q N 1.516 121.365 119.800 0.082 0.000 2.079 22 Q HA -0.107 4.241 4.340 0.012 0.000 0.200 22 Q C 1.970 178.033 176.000 0.104 0.000 0.974 22 Q CA 2.512 58.355 55.803 0.067 0.000 0.840 22 Q CB -0.175 28.578 28.738 0.025 0.000 0.898 22 Q HN 0.621 nan 8.270 nan 0.000 0.430 23 K N -0.972 119.524 120.400 0.160 0.000 2.097 23 K HA -0.041 4.287 4.320 0.012 0.000 0.205 23 K C 1.739 178.434 176.600 0.158 0.000 1.050 23 K CA 1.133 57.534 56.287 0.190 0.000 0.938 23 K CB -0.225 32.460 32.500 0.309 0.000 0.718 23 K HN 0.233 nan 8.250 nan 0.000 0.442 24 A N 1.082 124.022 122.820 0.200 0.000 2.119 24 A HA -0.109 4.218 4.320 0.012 0.000 0.217 24 A C 0.815 178.448 177.584 0.080 0.000 1.153 24 A CA 1.109 53.232 52.037 0.143 0.000 0.692 24 A CB -0.495 18.622 19.000 0.194 0.000 0.799 24 A HN 0.675 nan 8.150 nan 0.000 0.458 25 N N -1.254 117.496 118.700 0.084 0.000 2.708 25 N HA -0.168 4.580 4.740 0.012 0.000 0.249 25 N C -0.393 175.133 175.510 0.027 0.000 1.097 25 N CA 1.123 54.201 53.050 0.047 0.000 0.710 25 N CB -1.455 37.051 38.487 0.030 0.000 1.032 25 N HN 0.566 nan 8.380 nan 0.000 0.551 26 S N -1.653 114.074 115.700 0.044 0.000 2.542 26 S HA 0.709 5.186 4.470 0.012 0.000 0.276 26 S C -0.209 174.420 174.600 0.049 0.000 1.148 26 S CA 0.681 58.880 58.200 -0.001 0.000 0.886 26 S CB 1.153 64.328 63.200 -0.042 0.000 1.109 26 S HN 1.320 nan 8.310 nan 0.000 0.458 27 G N 2.846 111.622 108.800 -0.040 0.000 2.316 27 G HA2 0.178 4.146 3.960 0.012 0.000 0.349 27 G HA3 0.178 4.146 3.960 0.012 0.000 0.349 27 G C -1.970 172.832 174.900 -0.164 0.000 1.274 27 G CA -0.769 44.354 45.100 0.039 0.000 1.018 27 G HN 0.979 nan 8.290 nan 0.000 0.486 28 H N 1.263 120.381 119.070 0.079 0.000 2.792 28 H HA 0.524 5.088 4.556 0.012 0.000 0.298 28 H C -1.682 173.636 175.328 -0.017 0.000 1.042 28 H CA -1.262 54.771 56.048 -0.025 0.000 1.300 28 H CB 2.195 31.942 29.762 -0.025 0.000 1.431 28 H HN 0.340 nan 8.280 nan 0.000 0.496 29 P HA 0.052 nan 4.420 nan 0.000 0.245 29 P C 1.590 178.897 177.300 0.012 0.000 1.199 29 P CA 0.510 63.617 63.100 0.012 0.000 0.807 29 P CB 0.643 32.339 31.700 -0.007 0.000 1.002 30 G N 1.307 110.130 108.800 0.038 0.000 2.433 30 G HA2 -0.230 3.737 3.960 0.012 0.000 0.216 30 G HA3 -0.230 3.737 3.960 0.012 0.000 0.216 30 G C 1.758 176.692 174.900 0.056 0.000 1.186 30 G CA 1.168 46.300 45.100 0.053 0.000 0.779 30 G HN 0.314 nan 8.290 nan 0.000 0.543 31 A N 1.587 124.458 122.820 0.084 0.000 1.877 31 A HA 0.087 4.415 4.320 0.012 0.000 0.216 31 A C 0.785 178.365 177.584 -0.007 0.000 1.186 31 A CA 1.966 54.032 52.037 0.048 0.000 0.620 31 A CB -1.201 17.819 19.000 0.032 0.000 0.822 31 A HN 0.367 nan 8.150 nan 0.000 0.443 32 P HA -0.156 nan 4.420 nan 0.000 0.215 32 P C 1.291 178.563 177.300 -0.047 0.000 1.157 32 P CA 0.947 64.027 63.100 -0.034 0.000 0.874 32 P CB -0.053 31.611 31.700 -0.061 0.000 0.790 33 L N -1.150 120.042 121.223 -0.051 0.000 2.093 33 L HA -0.000 4.347 4.340 0.012 0.000 0.208 33 L C 2.511 179.372 176.870 -0.015 0.000 1.085 33 L CA 2.086 56.881 54.840 -0.075 0.000 0.755 33 L CB -1.848 40.158 42.059 -0.088 0.000 0.904 33 L HN -0.000 nan 8.230 nan 0.000 0.435 34 G N -1.232 107.582 108.800 0.024 0.000 2.443 34 G HA2 -0.155 3.812 3.960 0.012 0.000 0.219 34 G HA3 -0.155 3.812 3.960 0.012 0.000 0.219 34 G C 1.523 176.454 174.900 0.050 0.000 1.131 34 G CA 0.424 45.581 45.100 0.095 0.000 0.775 34 G HN 0.349 nan 8.290 nan 0.000 0.547 35 L N 0.340 121.550 121.223 -0.021 0.000 2.585 35 L HA 0.300 4.647 4.340 0.012 0.000 0.226 35 L C 2.945 179.787 176.870 -0.047 0.000 1.113 35 L CA 0.311 55.102 54.840 -0.082 0.000 0.876 35 L CB 0.206 42.186 42.059 -0.131 0.000 1.072 35 L HN 0.240 nan 8.230 nan 0.000 0.468 36 A N 0.141 122.961 122.820 -0.000 0.000 1.969 36 A HA -0.191 4.136 4.320 0.012 0.000 0.218 36 A C 1.826 179.468 177.584 0.096 0.000 1.169 36 A CA 1.662 53.716 52.037 0.028 0.000 0.635 36 A CB -0.242 18.752 19.000 -0.010 0.000 0.810 36 A HN 0.333 nan 8.150 nan 0.000 0.445 37 D N 0.093 120.562 120.400 0.114 0.000 2.123 37 D HA -0.086 4.561 4.640 0.012 0.000 0.200 37 D C 1.874 178.246 176.300 0.120 0.000 0.976 37 D CA 1.101 55.214 54.000 0.188 0.000 0.831 37 D CB -0.326 40.493 40.800 0.031 0.000 0.974 37 D HN 0.515 nan 8.370 nan 0.000 0.469 38 I N 0.634 121.193 120.570 -0.017 0.000 2.179 38 I HA -0.247 3.930 4.170 0.012 0.000 0.242 38 I C 2.371 178.456 176.117 -0.054 0.000 1.088 38 I CA 0.595 61.856 61.300 -0.065 0.000 1.357 38 I CB -0.082 37.826 38.000 -0.153 0.000 1.051 38 I HN -0.022 nan 8.210 nan 0.000 0.409 39 L N 0.085 121.266 121.223 -0.070 0.000 2.093 39 L HA -0.136 4.211 4.340 0.012 0.000 0.208 39 L C 2.565 179.445 176.870 0.017 0.000 1.085 39 L CA 1.693 56.458 54.840 -0.126 0.000 0.755 39 L CB -0.548 41.417 42.059 -0.158 0.000 0.904 39 L HN 0.084 nan 8.230 nan 0.000 0.435 40 S N -0.993 114.809 115.700 0.170 0.000 2.359 40 S HA -0.186 4.291 4.470 0.012 0.000 0.224 40 S C 1.946 176.728 174.600 0.304 0.000 1.035 40 S CA 1.616 59.992 58.200 0.294 0.000 1.018 40 S CB -0.514 62.855 63.200 0.282 0.000 0.876 40 S HN 0.360 nan 8.310 nan 0.000 0.448 41 V N 1.715 121.779 119.914 0.250 0.000 2.358 41 V HA -0.096 4.031 4.120 0.012 0.000 0.246 41 V C 2.225 178.510 176.094 0.319 0.000 1.047 41 V CA 1.360 63.821 62.300 0.269 0.000 1.035 41 V CB -0.719 31.214 31.823 0.184 0.000 0.658 41 V HN 0.351 nan 8.190 nan 0.000 0.452 42 L N 1.460 122.752 121.223 0.116 0.000 2.127 42 L HA -0.162 4.185 4.340 0.012 0.000 0.211 42 L C 2.679 179.575 176.870 0.043 0.000 1.089 42 L CA 2.304 57.135 54.840 -0.015 0.000 0.757 42 L CB -0.733 41.168 42.059 -0.263 0.000 0.899 42 L HN 0.525 nan 8.230 nan 0.000 0.434 43 S N -1.854 113.907 115.700 0.101 0.000 2.419 43 S HA -0.256 4.221 4.470 0.012 0.000 0.235 43 S C 1.933 176.595 174.600 0.102 0.000 1.019 43 S CA 1.311 59.623 58.200 0.188 0.000 0.982 43 S CB -1.054 62.382 63.200 0.393 0.000 0.789 43 S HN 0.599 nan 8.310 nan 0.000 0.490 44 Y N 0.891 121.247 120.300 0.093 0.000 2.457 44 Y HA 0.096 4.653 4.550 0.012 0.000 0.292 44 Y C 2.762 178.593 175.900 -0.115 0.000 1.125 44 Y CA 1.236 59.319 58.100 -0.027 0.000 1.254 44 Y CB -0.187 38.195 38.460 -0.129 0.000 1.012 44 Y HN 0.457 nan 8.280 nan 0.000 0.555 45 H N -1.504 117.664 119.070 0.163 0.000 2.553 45 H HA 0.096 4.660 4.556 0.013 0.000 0.276 45 H C 0.419 175.817 175.328 0.118 0.000 0.979 45 H CA -0.034 56.084 56.048 0.116 0.000 1.268 45 H CB 0.201 29.991 29.762 0.048 0.000 1.450 45 H HN 0.083 nan 8.280 nan 0.000 0.527 46 L N 2.789 124.113 121.223 0.168 0.000 2.462 46 L HA 0.031 4.378 4.340 0.012 0.000 0.272 46 L C 0.593 177.669 176.870 0.344 0.000 1.166 46 L CA 0.472 55.406 54.840 0.158 0.000 0.880 46 L CB 0.309 42.351 42.059 -0.029 0.000 1.142 46 L HN -0.065 nan 8.230 nan 0.000 0.473 47 K N 5.663 126.271 120.400 0.347 0.000 2.281 47 K HA 0.385 4.712 4.320 0.012 0.000 0.272 47 K C -1.319 175.561 176.600 0.466 0.000 1.048 47 K CA -0.476 56.046 56.287 0.392 0.000 0.898 47 K CB 0.210 32.886 32.500 0.294 0.000 1.128 47 K HN 0.867 nan 8.250 nan 0.000 0.460 48 H N 0.890 120.149 119.070 0.316 0.000 3.068 48 H HA 0.250 4.813 4.556 0.013 0.000 0.342 48 H C -1.926 173.552 175.328 0.250 0.000 1.284 48 H CA -1.050 55.193 56.048 0.325 0.000 1.181 48 H CB 1.019 30.943 29.762 0.270 0.000 1.898 48 H HN 0.439 nan 8.280 nan 0.000 0.540 49 N N 2.242 121.037 118.700 0.158 0.000 2.511 49 N HA 0.305 5.052 4.740 0.012 0.000 0.249 49 N C -2.115 173.202 175.510 -0.322 0.000 0.971 49 N CA -2.438 50.510 53.050 -0.169 0.000 0.938 49 N CB 1.662 40.044 38.487 -0.176 0.000 1.131 49 N HN 0.245 nan 8.380 nan 0.000 0.505 50 P HA -0.104 nan 4.420 nan 0.000 0.219 50 P C 0.633 177.539 177.300 -0.656 0.000 1.146 50 P CA 1.199 63.586 63.100 -1.189 0.000 0.808 50 P CB 0.414 31.488 31.700 -1.045 0.000 0.779 51 K N -1.509 118.667 120.400 -0.373 0.000 2.459 51 K HA 0.045 4.372 4.320 0.012 0.000 0.193 51 K C 0.519 177.037 176.600 -0.137 0.000 1.030 51 K CA 0.458 56.613 56.287 -0.219 0.000 1.026 51 K CB -0.417 31.976 32.500 -0.177 0.000 0.809 51 K HN 0.116 nan 8.250 nan 0.000 0.504 52 N N 0.583 119.211 118.700 -0.121 0.000 2.707 52 N HA 0.184 4.932 4.740 0.012 0.000 0.249 52 N C -2.601 172.940 175.510 0.050 0.000 1.299 52 N CA -1.696 51.337 53.050 -0.029 0.000 0.769 52 N CB 1.314 39.781 38.487 -0.034 0.000 1.236 52 N HN -0.249 nan 8.380 nan 0.000 0.524 53 P HA -0.003 nan 4.420 nan 0.000 0.239 53 P C 0.820 178.176 177.300 0.093 0.000 1.184 53 P CA 0.975 64.175 63.100 0.166 0.000 0.760 53 P CB 0.127 31.970 31.700 0.238 0.000 0.884 54 T N -6.931 107.665 114.554 0.070 0.000 3.086 54 T HA 0.011 4.368 4.350 0.012 0.000 0.250 54 T C 0.239 174.949 174.700 0.017 0.000 1.074 54 T CA -0.599 61.516 62.100 0.025 0.000 0.988 54 T CB -0.725 68.165 68.868 0.037 0.000 0.988 54 T HN -0.038 nan 8.240 nan 0.000 0.530 55 W N 2.534 123.730 121.300 -0.173 0.000 2.520 55 W HA 0.244 4.911 4.660 0.013 0.000 0.337 55 W C 0.919 177.178 176.519 -0.434 0.000 1.406 55 W CA -2.133 55.039 57.345 -0.288 0.000 1.318 55 W CB -0.134 29.168 29.460 -0.264 0.000 1.338 55 W HN 0.165 nan 8.180 nan 0.000 0.570 56 L N 5.462 126.368 121.223 -0.528 0.000 2.131 56 L HA -0.172 4.176 4.340 0.012 0.000 0.210 56 L C 1.675 177.967 176.870 -0.964 0.000 1.092 56 L CA 2.082 56.533 54.840 -0.648 0.000 0.759 56 L CB -0.710 41.157 42.059 -0.320 0.000 0.903 56 L HN 0.637 nan 8.230 nan 0.000 0.435 57 N N -0.231 117.517 118.700 -1.586 0.000 2.251 57 N HA 0.031 4.778 4.740 0.012 0.000 0.217 57 N C 0.018 174.538 175.510 -1.650 0.000 1.124 57 N CA -0.267 51.983 53.050 -1.334 0.000 0.843 57 N CB -0.001 37.847 38.487 -1.066 0.000 1.024 57 N HN 0.363 nan 8.380 nan 0.000 0.501 58 R N -0.282 119.162 120.500 -1.761 0.000 2.679 58 R HA 0.108 4.455 4.340 0.012 0.000 0.268 58 R C -0.811 175.052 176.300 -0.729 0.000 1.044 58 R CA -0.256 55.179 56.100 -1.108 0.000 1.105 58 R CB 0.263 30.245 30.300 -0.530 0.000 0.989 58 R HN 0.009 nan 8.270 nan 0.000 0.447 59 D N 1.883 122.116 120.400 -0.279 0.000 2.443 59 D HA 0.046 4.693 4.640 0.012 0.000 0.239 59 D C -0.131 176.097 176.300 -0.120 0.000 1.136 59 D CA 0.360 54.328 54.000 -0.054 0.000 0.879 59 D CB 0.594 41.521 40.800 0.211 0.000 1.195 59 D HN 0.286 nan 8.370 nan 0.000 0.443 60 R N 1.841 122.283 120.500 -0.096 0.000 2.295 60 R HA 0.402 4.749 4.340 0.012 0.000 0.324 60 R C -0.521 175.792 176.300 0.022 0.000 0.968 60 R CA -1.019 54.967 56.100 -0.191 0.000 0.837 60 R CB 0.915 30.945 30.300 -0.451 0.000 1.133 60 R HN 0.281 nan 8.270 nan 0.000 0.450 61 L N 3.451 124.700 121.223 0.043 0.000 2.296 61 L HA 0.442 4.789 4.340 0.012 0.000 0.286 61 L C -0.977 176.003 176.870 0.182 0.000 1.023 61 L CA -0.615 54.315 54.840 0.151 0.000 0.812 61 L CB 1.865 44.004 42.059 0.133 0.000 1.223 61 L HN 0.301 nan 8.230 nan 0.000 0.421 62 V N 5.795 125.856 119.914 0.245 0.000 2.487 62 V HA 0.390 4.517 4.120 0.012 0.000 0.298 62 V C -0.645 175.635 176.094 0.310 0.000 1.028 62 V CA -0.388 62.089 62.300 0.295 0.000 0.860 62 V CB 1.383 33.396 31.823 0.317 0.000 0.991 62 V HN 0.496 nan 8.190 nan 0.000 0.427 63 F N 2.951 122.927 119.950 0.043 0.000 2.377 63 F HA 0.280 4.815 4.527 0.014 0.000 0.360 63 F C 1.632 177.446 175.800 0.024 0.000 1.147 63 F CA 0.065 58.062 58.000 -0.006 0.000 1.170 63 F CB 1.384 40.342 39.000 -0.069 0.000 1.339 63 F HN 0.562 nan 8.300 nan 0.000 0.552 64 S N 2.611 118.398 115.700 0.146 0.000 2.402 64 S HA -0.045 4.432 4.470 0.012 0.000 0.229 64 S C 1.609 176.284 174.600 0.125 0.000 1.021 64 S CA 0.958 59.237 58.200 0.131 0.000 0.974 64 S CB -0.348 62.914 63.200 0.103 0.000 0.800 64 S HN 0.697 nan 8.310 nan 0.000 0.484 65 G N 0.242 109.089 108.800 0.079 0.000 2.915 65 G HA2 0.449 4.417 3.960 0.012 0.000 0.298 65 G HA3 0.449 4.417 3.960 0.012 0.000 0.298 65 G C 0.842 175.700 174.900 -0.070 0.000 0.837 65 G CA -0.050 45.070 45.100 0.034 0.000 1.752 65 G HN 0.415 nan 8.290 nan 0.000 0.526 66 G N 1.507 110.386 108.800 0.132 0.000 2.559 66 G HA2 -0.178 3.789 3.960 0.012 0.000 0.216 66 G HA3 -0.178 3.789 3.960 0.012 0.000 0.216 66 G C 1.431 176.353 174.900 0.037 0.000 1.126 66 G CA 0.895 46.082 45.100 0.145 0.000 0.778 66 G HN 0.830 nan 8.290 nan 0.000 0.543 67 H N -0.128 118.939 119.070 -0.006 0.000 2.518 67 H HA 0.187 4.750 4.556 0.012 0.000 0.289 67 H C 1.980 177.148 175.328 -0.268 0.000 1.051 67 H CA 0.813 56.606 56.048 -0.424 0.000 1.280 67 H CB -0.458 28.835 29.762 -0.782 0.000 1.380 67 H HN 0.256 nan 8.280 nan 0.000 0.566 68 A N 1.748 124.269 122.820 -0.498 0.000 2.310 68 A HA 0.057 4.385 4.320 0.012 0.000 0.230 68 A C 2.321 179.794 177.584 -0.185 0.000 1.294 68 A CA 0.465 52.366 52.037 -0.226 0.000 0.898 68 A CB -0.634 18.290 19.000 -0.127 0.000 0.917 68 A HN 0.633 nan 8.150 nan 0.000 0.491 69 S N 0.260 115.792 115.700 -0.279 0.000 2.392 69 S HA -0.228 4.249 4.470 0.012 0.000 0.232 69 S C 2.016 176.188 174.600 -0.714 0.000 1.041 69 S CA 1.396 59.255 58.200 -0.569 0.000 1.026 69 S CB -0.692 62.268 63.200 -0.399 0.000 0.845 69 S HN 0.961 nan 8.310 nan 0.000 0.465 70 A N 1.547 124.126 122.820 -0.401 0.000 1.972 70 A HA 0.062 4.389 4.320 0.012 0.000 0.219 70 A C 2.218 179.619 177.584 -0.304 0.000 1.169 70 A CA 1.560 53.294 52.037 -0.505 0.000 0.635 70 A CB -0.763 17.837 19.000 -0.667 0.000 0.810 70 A HN 0.526 nan 8.150 nan 0.000 0.446 71 L N -0.910 120.176 121.223 -0.228 0.000 2.044 71 L HA -0.057 4.291 4.340 0.012 0.000 0.205 71 L C 2.207 178.996 176.870 -0.134 0.000 1.075 71 L CA 1.828 56.609 54.840 -0.098 0.000 0.747 71 L CB -0.599 41.492 42.059 0.053 0.000 0.903 71 L HN 0.331 nan 8.230 nan 0.000 0.435 72 L N -1.049 119.884 121.223 -0.483 0.000 2.013 72 L HA -0.261 4.086 4.340 0.012 0.000 0.212 72 L C 2.362 179.097 176.870 -0.224 0.000 1.073 72 L CA 1.999 56.419 54.840 -0.701 0.000 0.753 72 L CB -1.094 40.189 42.059 -1.293 0.000 0.890 72 L HN 0.325 nan 8.230 nan 0.000 0.432 73 Y N -0.481 119.703 120.300 -0.194 0.000 2.224 73 Y HA -0.121 4.437 4.550 0.013 0.000 0.289 73 Y C 2.835 178.697 175.900 -0.063 0.000 1.146 73 Y CA 0.954 58.986 58.100 -0.113 0.000 1.182 73 Y CB -1.398 37.013 38.460 -0.081 0.000 0.983 73 Y HN 0.208 nan 8.280 nan 0.000 0.524 74 S N 0.104 115.851 115.700 0.079 0.000 2.353 74 S HA -0.207 4.270 4.470 0.012 0.000 0.222 74 S C 1.889 176.495 174.600 0.009 0.000 1.035 74 S CA 1.448 59.676 58.200 0.046 0.000 1.025 74 S CB -0.799 62.394 63.200 -0.012 0.000 0.902 74 S HN 0.463 nan 8.310 nan 0.000 0.440 75 F N 2.361 122.215 119.950 -0.159 0.000 2.134 75 F HA -0.057 4.478 4.527 0.014 0.000 0.299 75 F C 1.815 177.551 175.800 -0.107 0.000 1.097 75 F CA 1.168 59.039 58.000 -0.216 0.000 1.264 75 F CB -0.542 38.380 39.000 -0.130 0.000 1.001 75 F HN 0.097 nan 8.300 nan 0.000 0.479 76 L N -0.543 120.532 121.223 -0.246 0.000 2.046 76 L HA -0.273 4.074 4.340 0.012 0.000 0.208 76 L C 2.776 179.605 176.870 -0.068 0.000 1.077 76 L CA 1.820 56.475 54.840 -0.307 0.000 0.747 76 L CB -1.216 40.685 42.059 -0.264 0.000 0.896 76 L HN 0.326 nan 8.230 nan 0.000 0.432 77 H N 0.806 119.822 119.070 -0.090 0.000 2.290 77 H HA -0.182 4.381 4.556 0.012 0.000 0.298 77 H C 2.320 177.598 175.328 -0.083 0.000 1.087 77 H CA 1.908 57.927 56.048 -0.048 0.000 1.291 77 H CB 0.042 29.788 29.762 -0.025 0.000 1.369 77 H HN 0.256 nan 8.280 nan 0.000 0.492 78 L N 0.256 121.295 121.223 -0.308 0.000 2.131 78 L HA -0.129 4.218 4.340 0.012 0.000 0.210 78 L C 2.708 179.417 176.870 -0.268 0.000 1.092 78 L CA 1.115 55.738 54.840 -0.362 0.000 0.759 78 L CB -0.208 41.550 42.059 -0.501 0.000 0.903 78 L HN 0.185 nan 8.230 nan 0.000 0.435 79 S N -0.730 114.782 115.700 -0.314 0.000 2.489 79 S HA 0.096 4.573 4.470 0.012 0.000 0.228 79 S C 1.436 175.936 174.600 -0.168 0.000 0.995 79 S CA 0.850 58.932 58.200 -0.197 0.000 0.934 79 S CB 0.340 63.356 63.200 -0.306 0.000 0.771 79 S HN 0.663 nan 8.310 nan 0.000 0.522 80 G N -0.053 108.646 108.800 -0.169 0.000 2.154 80 G HA2 -0.206 3.762 3.960 0.012 0.000 0.186 80 G HA3 -0.206 3.762 3.960 0.012 0.000 0.186 80 G C -0.062 174.727 174.900 -0.185 0.000 1.000 80 G CA -0.557 44.426 45.100 -0.194 0.000 0.664 80 G HN 0.412 nan 8.290 nan 0.000 0.513 81 Y N 0.512 120.729 120.300 -0.138 0.000 2.335 81 Y HA 0.396 4.953 4.550 0.012 0.000 0.348 81 Y C 1.155 177.029 175.900 -0.044 0.000 1.280 81 Y CA 0.470 58.524 58.100 -0.076 0.000 1.504 81 Y CB 0.439 38.863 38.460 -0.059 0.000 1.366 81 Y HN 0.076 nan 8.280 nan 0.000 0.621 82 D N 1.621 122.112 120.400 0.152 0.000 2.688 82 D HA 0.210 4.858 4.640 0.012 0.000 0.228 82 D C -1.697 174.655 176.300 0.088 0.000 1.116 82 D CA 0.205 54.257 54.000 0.085 0.000 1.023 82 D CB -0.881 39.955 40.800 0.060 0.000 1.100 82 D HN 0.257 nan 8.370 nan 0.000 0.487 83 L N 1.785 123.075 121.223 0.112 0.000 2.516 83 L HA 0.381 4.728 4.340 0.012 0.000 0.267 83 L C -0.393 176.585 176.870 0.180 0.000 0.957 83 L CA -0.504 54.389 54.840 0.088 0.000 0.860 83 L CB 1.634 43.734 42.059 0.068 0.000 1.265 83 L HN 0.147 nan 8.230 nan 0.000 0.403 84 S N 3.306 119.046 115.700 0.067 0.000 2.713 84 S HA 0.411 4.889 4.470 0.012 0.000 0.283 84 S C 0.900 175.336 174.600 -0.274 0.000 1.161 84 S CA -0.613 57.610 58.200 0.038 0.000 0.999 84 S CB 1.223 64.423 63.200 -0.000 0.000 1.039 84 S HN 0.655 nan 8.310 nan 0.000 0.548 85 L N 1.046 122.017 121.223 -0.420 0.000 2.083 85 L HA 0.013 4.360 4.340 0.012 0.000 0.209 85 L C 2.609 179.296 176.870 -0.306 0.000 1.083 85 L CA 2.209 56.757 54.840 -0.486 0.000 0.752 85 L CB -1.073 40.818 42.059 -0.281 0.000 0.899 85 L HN 1.028 nan 8.230 nan 0.000 0.433 86 E N -0.900 119.174 120.200 -0.209 0.000 2.110 86 E HA -0.250 4.107 4.350 0.012 0.000 0.193 86 E C 1.649 178.151 176.600 -0.163 0.000 0.988 86 E CA 1.423 57.710 56.400 -0.188 0.000 0.804 86 E CB -0.022 29.608 29.700 -0.116 0.000 0.745 86 E HN 0.527 nan 8.360 nan 0.000 0.458 87 D N 0.622 120.942 120.400 -0.134 0.000 2.123 87 D HA -0.183 4.465 4.640 0.012 0.000 0.196 87 D C 2.115 178.359 176.300 -0.093 0.000 0.992 87 D CA 0.981 54.917 54.000 -0.106 0.000 0.833 87 D CB -0.232 40.506 40.800 -0.103 0.000 0.954 87 D HN 0.312 nan 8.370 nan 0.000 0.455 88 L N 0.469 121.621 121.223 -0.119 0.000 2.083 88 L HA -0.151 4.196 4.340 0.012 0.000 0.209 88 L C 2.190 179.086 176.870 0.043 0.000 1.083 88 L CA 1.119 55.955 54.840 -0.007 0.000 0.752 88 L CB -0.365 41.710 42.059 0.028 0.000 0.899 88 L HN -0.032 nan 8.230 nan 0.000 0.433 89 K N 0.187 120.455 120.400 -0.220 0.000 2.439 89 K HA -0.069 4.259 4.320 0.012 0.000 0.197 89 K C 0.673 177.243 176.600 -0.050 0.000 1.041 89 K CA 0.712 56.812 56.287 -0.311 0.000 0.970 89 K CB -0.121 32.035 32.500 -0.574 0.000 0.773 89 K HN 0.353 nan 8.250 nan 0.000 0.479 90 N N 0.283 118.982 118.700 -0.002 0.000 2.273 90 N HA 0.052 4.799 4.740 0.012 0.000 0.231 90 N C -0.714 174.863 175.510 0.112 0.000 1.134 90 N CA -0.380 52.692 53.050 0.036 0.000 0.856 90 N CB 0.182 38.663 38.487 -0.010 0.000 1.068 90 N HN 0.014 nan 8.380 nan 0.000 0.510 91 F N 2.162 122.121 119.950 0.015 0.000 2.579 91 F HA -0.138 4.396 4.527 0.012 0.000 0.397 91 F C 1.155 176.985 175.800 0.051 0.000 1.027 91 F CA 0.604 58.639 58.000 0.058 0.000 1.217 91 F CB 0.170 39.247 39.000 0.129 0.000 0.986 91 F HN 0.222 nan 8.300 nan 0.000 0.551 92 R N 0.933 121.183 120.500 -0.417 0.000 3.951 92 R HA -0.214 4.133 4.340 0.012 0.000 0.352 92 R C -0.550 175.641 176.300 -0.183 0.000 1.178 92 R CA 0.865 56.707 56.100 -0.430 0.000 0.949 92 R CB -1.325 28.596 30.300 -0.632 0.000 1.452 92 R HN 0.601 nan 8.270 nan 0.000 0.540 93 Q N 0.573 120.311 119.800 -0.103 0.000 2.235 93 Q HA 0.292 4.640 4.340 0.012 0.000 0.256 93 Q C -0.103 175.839 176.000 -0.098 0.000 0.951 93 Q CA -1.097 54.659 55.803 -0.077 0.000 0.890 93 Q CB 1.137 29.853 28.738 -0.037 0.000 1.279 93 Q HN 0.113 nan 8.270 nan 0.000 0.444 94 L N 3.132 124.268 121.223 -0.144 0.000 2.601 94 L HA -0.086 4.262 4.340 0.012 0.000 0.277 94 L C 0.108 176.830 176.870 -0.246 0.000 1.219 94 L CA 1.350 56.014 54.840 -0.294 0.000 0.915 94 L CB -0.679 41.145 42.059 -0.392 0.000 1.160 94 L HN 0.768 nan 8.230 nan 0.000 0.494 95 H N 0.466 119.529 119.070 -0.011 0.000 3.257 95 H HA -0.176 4.387 4.556 0.012 0.000 0.222 95 H C 0.753 176.070 175.328 -0.018 0.000 1.143 95 H CA 0.612 56.655 56.048 -0.009 0.000 1.152 95 H CB -1.629 28.130 29.762 -0.006 0.000 1.188 95 H HN 0.793 nan 8.280 nan 0.000 0.315 96 S N 0.590 116.317 115.700 0.045 0.000 2.624 96 S HA 0.225 4.703 4.470 0.012 0.000 0.263 96 S C 1.162 175.754 174.600 -0.013 0.000 1.287 96 S CA -0.409 57.795 58.200 0.007 0.000 0.990 96 S CB 1.618 64.808 63.200 -0.017 0.000 0.950 96 S HN 0.391 nan 8.310 nan 0.000 0.561 97 K N 0.294 120.660 120.400 -0.057 0.000 2.444 97 K HA 0.087 4.415 4.320 0.012 0.000 0.193 97 K C 0.171 176.617 176.600 -0.258 0.000 1.024 97 K CA 0.530 56.755 56.287 -0.103 0.000 1.077 97 K CB -0.038 32.406 32.500 -0.094 0.000 0.833 97 K HN 0.832 nan 8.250 nan 0.000 0.517 98 T N -0.066 114.340 114.554 -0.246 0.000 3.585 98 T HA 0.241 4.598 4.350 0.012 0.000 0.252 98 T C -2.679 172.020 174.700 -0.001 0.000 1.382 98 T CA -1.981 59.852 62.100 -0.445 0.000 1.584 98 T CB 0.737 69.450 68.868 -0.259 0.000 0.892 98 T HN -0.147 nan 8.240 nan 0.000 0.671 99 P HA 0.197 nan 4.420 nan 0.000 0.272 99 P C 1.390 178.750 177.300 0.100 0.000 1.240 99 P CA -0.078 63.056 63.100 0.056 0.000 0.791 99 P CB 0.615 32.372 31.700 0.095 0.000 0.978 100 G N 0.425 109.178 108.800 -0.079 0.000 2.450 100 G HA2 -0.159 3.808 3.960 0.012 0.000 0.220 100 G HA3 -0.159 3.808 3.960 0.012 0.000 0.220 100 G C 0.124 174.893 174.900 -0.218 0.000 1.130 100 G CA 1.060 46.042 45.100 -0.196 0.000 0.760 100 G HN 0.620 nan 8.290 nan 0.000 0.557 101 H N -0.735 118.394 119.070 0.098 0.000 2.679 101 H HA 0.492 5.055 4.556 0.012 0.000 0.367 101 H C -2.508 172.896 175.328 0.127 0.000 1.162 101 H CA -1.872 54.229 56.048 0.089 0.000 1.181 101 H CB 1.940 31.744 29.762 0.069 0.000 1.693 101 H HN -0.078 nan 8.280 nan 0.000 0.538 102 P HA 0.153 nan 4.420 nan 0.000 0.275 102 P C -0.857 176.555 177.300 0.187 0.000 1.227 102 P CA -0.232 62.985 63.100 0.194 0.000 0.781 102 P CB 0.928 32.664 31.700 0.059 0.000 0.906 103 E N 1.239 121.551 120.200 0.186 0.000 2.288 103 E HA 0.248 4.605 4.350 0.012 0.000 0.268 103 E C 0.864 177.541 176.600 0.128 0.000 0.885 103 E CA -0.665 55.821 56.400 0.144 0.000 0.767 103 E CB 1.835 31.611 29.700 0.128 0.000 1.220 103 E HN 0.407 nan 8.360 nan 0.000 0.427 104 I N -0.740 119.902 120.570 0.121 0.000 3.001 104 I HA -0.148 4.030 4.170 0.012 0.000 0.268 104 I C 1.731 177.905 176.117 0.096 0.000 1.267 104 I CA 0.836 62.204 61.300 0.113 0.000 1.472 104 I CB -0.197 37.879 38.000 0.126 0.000 1.089 104 I HN 0.290 nan 8.210 nan 0.000 0.468 105 S N 0.169 115.922 115.700 0.088 0.000 2.469 105 S HA -0.057 4.420 4.470 0.012 0.000 0.238 105 S C 1.060 175.695 174.600 0.058 0.000 0.998 105 S CA 0.684 58.927 58.200 0.071 0.000 0.957 105 S CB -1.245 61.995 63.200 0.066 0.000 0.764 105 S HN 0.527 nan 8.310 nan 0.000 0.514 106 T N 3.933 118.522 114.554 0.058 0.000 2.727 106 T HA 0.388 4.745 4.350 0.012 0.000 0.295 106 T C 0.089 174.821 174.700 0.053 0.000 0.915 106 T CA -0.413 61.709 62.100 0.037 0.000 1.066 106 T CB 0.249 69.132 68.868 0.025 0.000 0.891 106 T HN 0.281 nan 8.240 nan 0.000 0.516 107 L N 3.082 124.342 121.223 0.063 0.000 2.540 107 L HA 0.293 4.641 4.340 0.012 0.000 0.276 107 L C 1.605 178.523 176.870 0.079 0.000 1.212 107 L CA 0.603 55.503 54.840 0.100 0.000 0.893 107 L CB 0.008 42.150 42.059 0.138 0.000 1.138 107 L HN 1.020 nan 8.230 nan 0.000 0.491 108 G N 2.240 111.077 108.800 0.062 0.000 2.259 108 G HA2 -0.230 3.738 3.960 0.012 0.000 0.217 108 G HA3 -0.230 3.738 3.960 0.012 0.000 0.217 108 G C 0.029 174.859 174.900 -0.117 0.000 1.001 108 G CA -0.210 44.793 45.100 -0.162 0.000 0.627 108 G HN 0.390 nan 8.290 nan 0.000 0.501 109 V N 2.497 122.400 119.914 -0.019 0.000 2.408 109 V HA 0.328 4.455 4.120 0.012 0.000 0.267 109 V C 1.412 177.543 176.094 0.062 0.000 1.047 109 V CA -0.043 62.270 62.300 0.021 0.000 0.937 109 V CB 1.512 33.380 31.823 0.076 0.000 0.999 109 V HN 0.316 nan 8.190 nan 0.000 0.472 110 E N 3.604 123.844 120.200 0.066 0.000 2.152 110 E HA 0.134 4.491 4.350 0.012 0.000 0.192 110 E C 0.307 177.052 176.600 0.241 0.000 0.983 110 E CA 0.923 57.373 56.400 0.083 0.000 0.818 110 E CB 0.683 30.363 29.700 -0.034 0.000 0.758 110 E HN 0.652 nan 8.360 nan 0.000 0.467 111 I N -0.919 119.797 120.570 0.243 0.000 2.785 111 I HA 0.285 4.462 4.170 0.012 0.000 0.293 111 I C -1.603 174.629 176.117 0.191 0.000 1.446 111 I CA -0.705 60.752 61.300 0.261 0.000 1.028 111 I CB 1.773 39.983 38.000 0.349 0.000 1.349 111 I HN -0.128 nan 8.210 nan 0.000 0.438 112 A N 4.180 127.099 122.820 0.166 0.000 2.488 112 A HA 0.618 4.945 4.320 0.012 0.000 0.249 112 A C 0.076 177.745 177.584 0.140 0.000 1.083 112 A CA 0.701 52.826 52.037 0.146 0.000 0.768 112 A CB -0.119 18.960 19.000 0.132 0.000 1.017 112 A HN 0.751 nan 8.150 nan 0.000 0.496 113 T N -0.955 113.684 114.554 0.142 0.000 2.831 113 T HA 0.869 5.227 4.350 0.012 0.000 0.287 113 T C 0.542 175.321 174.700 0.132 0.000 1.070 113 T CA 0.177 62.358 62.100 0.135 0.000 1.010 113 T CB 1.703 70.664 68.868 0.156 0.000 1.264 113 T HN 2.119 nan 8.240 nan 0.000 0.532 114 G N 0.325 109.191 108.800 0.109 0.000 4.241 114 G HA2 0.093 4.061 3.960 0.012 0.000 0.193 114 G HA3 0.093 4.061 3.960 0.012 0.000 0.193 114 G C -2.617 172.260 174.900 -0.037 0.000 1.789 114 G CA -0.364 44.730 45.100 -0.009 0.000 1.025 114 G HN 0.872 nan 8.290 nan 0.000 0.346 115 P HA 0.507 nan 4.420 nan 0.000 0.271 115 P C 0.288 177.611 177.300 0.038 0.000 1.233 115 P CA -0.100 63.002 63.100 0.003 0.000 0.764 115 P CB 0.678 32.389 31.700 0.019 0.000 0.825 116 L N 2.299 123.546 121.223 0.041 0.000 2.461 116 L HA 0.230 4.578 4.340 0.012 0.000 0.272 116 L C 1.842 178.728 176.870 0.027 0.000 1.197 116 L CA 1.052 55.923 54.840 0.051 0.000 0.836 116 L CB -0.290 41.794 42.059 0.043 0.000 1.105 116 L HN 0.783 nan 8.230 nan 0.000 0.477 117 G N 0.295 109.106 108.800 0.019 0.000 2.363 117 G HA2 -0.294 3.673 3.960 0.012 0.000 0.238 117 G HA3 -0.294 3.673 3.960 0.012 0.000 0.238 117 G C 1.021 175.908 174.900 -0.023 0.000 1.062 117 G CA 0.241 45.334 45.100 -0.012 0.000 0.629 117 G HN 0.571 nan 8.290 nan 0.000 0.514 118 Q N 0.606 120.398 119.800 -0.013 0.000 2.050 118 Q HA -0.054 4.293 4.340 0.012 0.000 0.202 118 Q C 2.797 178.813 176.000 0.026 0.000 0.980 118 Q CA 2.243 58.037 55.803 -0.015 0.000 0.840 118 Q CB -0.957 27.798 28.738 0.029 0.000 0.898 118 Q HN 0.739 nan 8.270 nan 0.000 0.424 119 G N 0.547 109.389 108.800 0.071 0.000 2.442 119 G HA2 -0.189 3.778 3.960 0.012 0.000 0.219 119 G HA3 -0.189 3.778 3.960 0.012 0.000 0.219 119 G C 1.649 176.624 174.900 0.125 0.000 1.141 119 G CA 1.058 46.227 45.100 0.116 0.000 0.763 119 G HN 0.261 nan 8.290 nan 0.000 0.554 120 V N 1.473 121.451 119.914 0.108 0.000 2.295 120 V HA -0.143 3.984 4.120 0.012 0.000 0.246 120 V C 3.305 179.451 176.094 0.087 0.000 1.049 120 V CA 2.079 64.469 62.300 0.150 0.000 1.024 120 V CB -0.863 31.036 31.823 0.126 0.000 0.648 120 V HN 0.476 nan 8.190 nan 0.000 0.447 121 A N 0.290 123.121 122.820 0.018 0.000 1.930 121 A HA -0.179 4.148 4.320 0.012 0.000 0.217 121 A C 2.059 179.599 177.584 -0.073 0.000 1.175 121 A CA 1.704 53.722 52.037 -0.031 0.000 0.627 121 A CB -0.590 18.376 19.000 -0.057 0.000 0.815 121 A HN 0.598 nan 8.150 nan 0.000 0.443 122 N N 0.790 119.457 118.700 -0.055 0.000 2.120 122 N HA -0.118 4.630 4.740 0.012 0.000 0.188 122 N C 1.883 177.295 175.510 -0.163 0.000 1.024 122 N CA 1.567 54.525 53.050 -0.154 0.000 0.852 122 N CB -0.592 37.853 38.487 -0.070 0.000 1.003 122 N HN 0.467 nan 8.380 nan 0.000 0.424 123 A N 0.928 123.776 122.820 0.047 0.000 1.933 123 A HA -0.068 4.259 4.320 0.012 0.000 0.218 123 A C 2.527 179.949 177.584 -0.270 0.000 1.175 123 A CA 1.193 53.314 52.037 0.139 0.000 0.628 123 A CB -0.749 18.459 19.000 0.347 0.000 0.814 123 A HN 0.101 nan 8.150 nan 0.000 0.444 124 V N 0.003 119.629 119.914 -0.480 0.000 2.287 124 V HA -0.215 3.913 4.120 0.012 0.000 0.248 124 V C 2.825 178.728 176.094 -0.319 0.000 1.053 124 V CA 2.025 63.989 62.300 -0.560 0.000 1.027 124 V CB -1.510 30.106 31.823 -0.344 0.000 0.646 124 V HN 0.610 nan 8.190 nan 0.000 0.447 125 G N -0.765 107.887 108.800 -0.247 0.000 2.440 125 G HA2 -0.246 3.722 3.960 0.012 0.000 0.218 125 G HA3 -0.246 3.722 3.960 0.012 0.000 0.218 125 G C 1.429 176.093 174.900 -0.394 0.000 1.154 125 G CA 0.812 45.754 45.100 -0.264 0.000 0.767 125 G HN 0.438 nan 8.290 nan 0.000 0.552 126 F N 1.980 121.826 119.950 -0.173 0.000 2.171 126 F HA 0.254 4.788 4.527 0.011 0.000 0.300 126 F C 2.341 178.058 175.800 -0.139 0.000 1.090 126 F CA -0.120 57.835 58.000 -0.076 0.000 1.293 126 F CB -0.716 38.338 39.000 0.089 0.000 1.013 126 F HN 0.215 nan 8.300 nan 0.000 0.486 130 A N 0.614 123.098 122.820 -0.559 0.000 1.930 130 A HA -0.000 4.327 4.320 0.012 0.000 0.217 130 A C 1.918 179.410 177.584 -0.153 0.000 1.175 130 A CA 1.864 53.748 52.037 -0.256 0.000 0.627 130 A CB -0.375 18.553 19.000 -0.119 0.000 0.815 130 A HN 0.268 nan 8.150 nan 0.000 0.443 131 K N 0.028 120.345 120.400 -0.139 0.000 2.057 131 K HA -0.134 4.193 4.320 0.012 0.000 0.207 131 K C 1.961 178.482 176.600 -0.132 0.000 1.049 131 K CA 1.663 57.890 56.287 -0.100 0.000 0.931 131 K CB -0.275 32.194 32.500 -0.051 0.000 0.714 131 K HN 0.390 nan 8.250 nan 0.000 0.440 132 K N 1.338 121.662 120.400 -0.126 0.000 2.057 132 K HA -0.025 4.302 4.320 0.012 0.000 0.207 132 K C 1.907 178.588 176.600 0.134 0.000 1.049 132 K CA 1.499 57.739 56.287 -0.078 0.000 0.931 132 K CB -0.500 31.981 32.500 -0.031 0.000 0.714 132 K HN 0.075 nan 8.250 nan 0.000 0.440 133 A N 0.628 123.579 122.820 0.219 0.000 1.908 133 A HA -0.253 4.074 4.320 0.012 0.000 0.218 133 A C 2.217 179.889 177.584 0.146 0.000 1.181 133 A CA 1.966 54.148 52.037 0.241 0.000 0.627 133 A CB -0.688 18.464 19.000 0.254 0.000 0.818 133 A HN 0.597 nan 8.150 nan 0.000 0.445 134 Q N -0.368 119.480 119.800 0.081 0.000 2.119 134 Q HA -0.246 4.101 4.340 0.012 0.000 0.201 134 Q C 2.012 178.029 176.000 0.029 0.000 0.972 134 Q CA 1.827 57.662 55.803 0.053 0.000 0.847 134 Q CB -0.262 28.482 28.738 0.010 0.000 0.903 134 Q HN 0.762 nan 8.270 nan 0.000 0.433 135 N N -0.230 118.466 118.700 -0.006 0.000 2.104 135 N HA -0.172 4.576 4.740 0.012 0.000 0.190 135 N C 1.654 177.175 175.510 0.018 0.000 1.024 135 N CA 1.426 54.461 53.050 -0.025 0.000 0.853 135 N CB -0.125 38.305 38.487 -0.095 0.000 1.008 135 N HN 0.269 nan 8.380 nan 0.000 0.424 136 L N -0.644 120.615 121.223 0.060 0.000 2.095 136 L HA 0.018 4.365 4.340 0.012 0.000 0.204 136 L C 1.743 178.653 176.870 0.067 0.000 1.080 136 L CA 0.765 55.650 54.840 0.074 0.000 0.759 136 L CB -0.141 41.986 42.059 0.115 0.000 0.914 136 L HN 0.240 nan 8.230 nan 0.000 0.439 137 L N -1.453 119.820 121.223 0.083 0.000 2.672 137 L HA 0.391 4.738 4.340 0.012 0.000 0.236 137 L C 0.674 177.589 176.870 0.076 0.000 1.092 137 L CA 0.125 55.018 54.840 0.088 0.000 0.887 137 L CB 0.391 42.532 42.059 0.137 0.000 1.168 137 L HN 0.319 nan 8.230 nan 0.000 0.502 138 G N 0.300 109.141 108.800 0.069 0.000 2.675 138 G HA2 -0.217 3.750 3.960 0.012 0.000 0.686 138 G HA3 -0.217 3.750 3.960 0.012 0.000 0.686 138 G C 0.486 175.431 174.900 0.074 0.000 1.215 138 G CA -0.150 44.983 45.100 0.055 0.000 0.777 138 G HN 0.151 nan 8.290 nan 0.000 0.638 139 S N -0.432 115.302 115.700 0.057 0.000 2.515 139 S HA -0.051 4.427 4.470 0.012 0.000 0.231 139 S C 1.750 176.404 174.600 0.090 0.000 0.987 139 S CA 1.621 59.860 58.200 0.066 0.000 0.936 139 S CB -0.096 63.128 63.200 0.041 0.000 0.766 139 S HN 1.061 nan 8.310 nan 0.000 0.528 140 D N 1.985 122.433 120.400 0.080 0.000 2.219 140 D HA -0.089 4.558 4.640 0.012 0.000 0.205 140 D C 1.722 178.105 176.300 0.138 0.000 0.970 140 D CA 0.733 54.784 54.000 0.085 0.000 0.851 140 D CB -0.341 40.482 40.800 0.038 0.000 0.943 140 D HN 0.503 nan 8.370 nan 0.000 0.488 141 L N -0.665 120.666 121.223 0.180 0.000 2.575 141 L HA 0.209 4.556 4.340 0.012 0.000 0.228 141 L C 0.400 177.585 176.870 0.524 0.000 1.075 141 L CA 0.062 55.112 54.840 0.350 0.000 0.867 141 L CB 0.754 42.953 42.059 0.233 0.000 1.097 141 L HN -0.096 nan 8.230 nan 0.000 0.485 142 I N 1.323 122.074 120.570 0.302 0.000 2.439 142 I HA 0.227 4.404 4.170 0.012 0.000 0.283 142 I C -0.826 175.368 176.117 0.128 0.000 1.023 142 I CA -0.087 61.361 61.300 0.246 0.000 1.100 142 I CB 1.317 39.449 38.000 0.220 0.000 1.238 142 I HN 0.125 nan 8.210 nan 0.000 0.445 143 D N 3.382 123.845 120.400 0.106 0.000 2.783 143 D HA 0.058 4.706 4.640 0.012 0.000 0.306 143 D C 0.039 176.342 176.300 0.005 0.000 1.633 143 D CA -0.275 53.745 54.000 0.033 0.000 0.796 143 D CB -0.545 40.311 40.800 0.093 0.000 1.230 143 D HN 0.571 nan 8.370 nan 0.000 0.441 144 H N -0.909 118.154 119.070 -0.013 0.000 2.500 144 H HA 0.733 5.297 4.556 0.013 0.000 0.351 144 H C 0.025 175.328 175.328 -0.041 0.000 1.281 144 H CA -0.592 55.427 56.048 -0.049 0.000 1.368 144 H CB 1.064 30.735 29.762 -0.151 0.000 1.616 144 H HN -0.275 nan 8.280 nan 0.000 0.591 145 K N 0.403 120.867 120.400 0.107 0.000 2.139 145 K HA 0.423 4.750 4.320 0.012 0.000 0.243 145 K C -0.846 175.775 176.600 0.035 0.000 0.983 145 K CA -0.847 55.390 56.287 -0.083 0.000 0.890 145 K CB 1.785 34.067 32.500 -0.364 0.000 1.090 145 K HN 0.531 nan 8.250 nan 0.000 0.445 146 I N 1.739 122.250 120.570 -0.099 0.000 2.439 146 I HA 0.226 4.403 4.170 0.012 0.000 0.283 146 I C -1.138 174.966 176.117 -0.021 0.000 1.023 146 I CA -0.469 60.876 61.300 0.074 0.000 1.100 146 I CB 0.882 39.030 38.000 0.247 0.000 1.238 146 I HN 0.337 nan 8.210 nan 0.000 0.445 147 Y N 4.737 125.126 120.300 0.149 0.000 2.341 147 Y HA 0.587 5.144 4.550 0.012 0.000 0.337 147 Y C 0.129 176.087 175.900 0.097 0.000 1.014 147 Y CA -0.484 57.657 58.100 0.068 0.000 1.111 147 Y CB 1.837 40.294 38.460 -0.005 0.000 1.194 147 Y HN 0.576 nan 8.280 nan 0.000 0.462 148 C N 6.204 125.632 119.300 0.213 0.000 2.396 148 C HA 0.702 5.169 4.460 0.012 0.000 0.321 148 C C -0.822 174.174 174.990 0.009 0.000 1.233 148 C CA -0.971 58.148 59.018 0.168 0.000 1.440 148 C CB -0.630 27.298 27.740 0.313 0.000 2.110 148 C HN 0.835 nan 8.230 nan 0.000 0.473 149 L N 6.351 127.509 121.223 -0.109 0.000 2.275 149 L HA 0.686 5.033 4.340 0.012 0.000 0.288 149 L C 0.376 177.175 176.870 -0.118 0.000 1.046 149 L CA -0.192 54.515 54.840 -0.221 0.000 0.805 149 L CB 0.809 42.537 42.059 -0.551 0.000 1.193 149 L HN 0.927 nan 8.230 nan 0.000 0.426 150 C N 0.716 119.984 119.300 -0.054 0.000 3.171 150 C HA 1.010 5.477 4.460 0.012 0.000 0.308 150 C C 0.278 175.320 174.990 0.086 0.000 1.334 150 C CA -0.413 58.614 59.018 0.015 0.000 1.473 150 C CB 1.116 28.868 27.740 0.020 0.000 1.866 150 C HN 0.891 nan 8.230 nan 0.000 0.465 151 G N -0.058 108.810 108.800 0.113 0.000 3.140 151 G HA2 0.482 4.450 3.960 0.012 0.000 0.271 151 G HA3 0.482 4.450 3.960 0.012 0.000 0.271 151 G C -0.019 174.977 174.900 0.160 0.000 1.370 151 G CA -0.194 45.017 45.100 0.184 0.000 1.014 151 G HN 0.783 nan 8.290 nan 0.000 0.541 152 D N -0.112 120.388 120.400 0.166 0.000 2.123 152 D HA -0.124 4.523 4.640 0.012 0.000 0.196 152 D C 2.437 178.649 176.300 -0.148 0.000 0.992 152 D CA 1.695 55.686 54.000 -0.015 0.000 0.833 152 D CB -0.267 40.511 40.800 -0.037 0.000 0.954 152 D HN 0.427 nan 8.370 nan 0.000 0.455 153 G N 1.255 110.023 108.800 -0.053 0.000 2.418 153 G HA2 -0.235 3.733 3.960 0.012 0.000 0.217 153 G HA3 -0.235 3.733 3.960 0.012 0.000 0.217 153 G C 1.351 176.217 174.900 -0.058 0.000 1.158 153 G CA 0.668 45.734 45.100 -0.057 0.000 0.771 153 G HN 0.176 nan 8.290 nan 0.000 0.545 154 D N 0.690 121.069 120.400 -0.035 0.000 2.104 154 D HA -0.092 4.555 4.640 0.012 0.000 0.194 154 D C 2.501 178.726 176.300 -0.125 0.000 0.994 154 D CA 0.764 54.737 54.000 -0.045 0.000 0.830 154 D CB -0.132 40.658 40.800 -0.015 0.000 0.959 154 D HN 0.288 nan 8.370 nan 0.000 0.452 155 L N 0.524 121.603 121.223 -0.239 0.000 2.478 155 L HA -0.074 4.273 4.340 0.012 0.000 0.223 155 L C 2.302 178.979 176.870 -0.322 0.000 1.140 155 L CA 0.483 55.105 54.840 -0.364 0.000 0.842 155 L CB -0.204 41.526 42.059 -0.547 0.000 0.953 155 L HN -0.029 nan 8.230 nan 0.000 0.452 156 Q N -0.438 119.234 119.800 -0.212 0.000 2.269 156 Q HA -0.006 4.341 4.340 0.012 0.000 0.201 156 Q C 0.258 176.350 176.000 0.152 0.000 0.946 156 Q CA 0.301 56.105 55.803 0.002 0.000 0.877 156 Q CB 0.341 29.049 28.738 -0.049 0.000 0.963 156 Q HN 0.357 nan 8.270 nan 0.000 0.472 157 E N 0.316 120.556 120.200 0.067 0.000 2.384 157 E HA -0.005 4.352 4.350 0.012 0.000 0.266 157 E C 0.957 177.693 176.600 0.228 0.000 1.012 157 E CA 0.194 56.661 56.400 0.112 0.000 0.901 157 E CB 1.085 30.813 29.700 0.047 0.000 0.967 157 E HN 0.309 nan 8.360 nan 0.000 0.435 158 G N 3.969 112.907 108.800 0.230 0.000 2.505 158 G HA2 -0.296 3.672 3.960 0.012 0.000 0.220 158 G HA3 -0.296 3.672 3.960 0.012 0.000 0.220 158 G C 1.410 176.448 174.900 0.231 0.000 1.145 158 G CA 0.468 45.718 45.100 0.250 0.000 0.761 158 G HN 0.636 nan 8.290 nan 0.000 0.571 159 I N 1.543 122.180 120.570 0.112 0.000 2.454 159 I HA -0.221 3.956 4.170 0.012 0.000 0.254 159 I C 3.023 179.153 176.117 0.022 0.000 1.156 159 I CA 1.741 63.043 61.300 0.004 0.000 1.433 159 I CB -0.070 37.780 38.000 -0.250 0.000 1.082 159 I HN 0.370 nan 8.210 nan 0.000 0.432 160 S N 0.103 115.815 115.700 0.021 0.000 2.368 160 S HA -0.224 4.254 4.470 0.012 0.000 0.224 160 S C 1.949 176.504 174.600 -0.074 0.000 1.029 160 S CA 0.969 59.139 58.200 -0.050 0.000 0.988 160 S CB -0.973 62.134 63.200 -0.155 0.000 0.838 160 S HN 0.565 nan 8.310 nan 0.000 0.462 161 Y N 2.265 122.521 120.300 -0.073 0.000 2.200 161 Y HA 0.002 4.557 4.550 0.008 0.000 0.290 161 Y C 2.781 178.647 175.900 -0.057 0.000 1.137 161 Y CA 1.371 59.402 58.100 -0.116 0.000 1.163 161 Y CB -0.546 37.855 38.460 -0.097 0.000 0.988 161 Y HN 0.316 nan 8.280 nan 0.000 0.518 162 E N 0.243 120.540 120.200 0.162 0.000 2.058 162 E HA -0.264 4.094 4.350 0.012 0.000 0.194 162 E C 2.429 179.084 176.600 0.091 0.000 0.997 162 E CA 1.202 57.667 56.400 0.107 0.000 0.801 162 E CB -0.332 29.428 29.700 0.100 0.000 0.746 162 E HN 0.499 nan 8.360 nan 0.000 0.450 163 A N 0.526 123.391 122.820 0.074 0.000 1.929 163 A HA -0.142 4.186 4.320 0.012 0.000 0.216 163 A C 2.384 180.039 177.584 0.118 0.000 1.176 163 A CA 0.967 53.045 52.037 0.068 0.000 0.628 163 A CB -0.633 18.387 19.000 0.033 0.000 0.816 163 A HN 0.351 nan 8.150 nan 0.000 0.444 164 C N -1.241 118.146 119.300 0.144 0.000 2.435 164 C HA -0.020 4.447 4.460 0.012 0.000 0.279 164 C C 3.214 178.374 174.990 0.284 0.000 1.321 164 C CA 1.133 60.325 59.018 0.290 0.000 1.752 164 C CB -1.072 26.686 27.740 0.029 0.000 1.959 164 C HN 0.667 nan 8.230 nan 0.000 0.500 165 S N 0.538 116.322 115.700 0.139 0.000 2.359 165 S HA -0.164 4.313 4.470 0.012 0.000 0.223 165 S C 1.729 176.407 174.600 0.131 0.000 1.039 165 S CA 1.564 59.836 58.200 0.120 0.000 1.042 165 S CB -0.297 62.950 63.200 0.078 0.000 0.915 165 S HN 0.618 nan 8.310 nan 0.000 0.439 166 L N 0.692 121.994 121.223 0.131 0.000 2.131 166 L HA -0.066 4.281 4.340 0.012 0.000 0.210 166 L C 2.762 179.734 176.870 0.171 0.000 1.092 166 L CA 1.095 56.027 54.840 0.153 0.000 0.759 166 L CB -0.533 41.597 42.059 0.118 0.000 0.903 166 L HN 0.418 nan 8.230 nan 0.000 0.435 167 A N -0.121 122.786 122.820 0.146 0.000 1.930 167 A HA -0.070 4.257 4.320 0.012 0.000 0.217 167 A C 2.362 179.965 177.584 0.032 0.000 1.175 167 A CA 1.512 53.599 52.037 0.083 0.000 0.627 167 A CB -1.008 18.072 19.000 0.134 0.000 0.815 167 A HN 0.427 nan 8.150 nan 0.000 0.443 168 G N -0.197 108.661 108.800 0.096 0.000 2.394 168 G HA2 -0.078 3.889 3.960 0.012 0.000 0.215 168 G HA3 -0.078 3.889 3.960 0.012 0.000 0.215 168 G C 1.482 176.389 174.900 0.011 0.000 1.165 168 G CA 1.055 46.181 45.100 0.043 0.000 0.784 168 G HN 0.455 nan 8.290 nan 0.000 0.535 169 L N 0.279 121.502 121.223 0.001 0.000 2.012 169 L HA -0.090 4.258 4.340 0.012 0.000 0.210 169 L C 2.242 178.985 176.870 -0.213 0.000 1.073 169 L CA 1.807 56.575 54.840 -0.120 0.000 0.748 169 L CB -0.548 41.402 42.059 -0.180 0.000 0.891 169 L HN 0.311 nan 8.230 nan 0.000 0.431 170 H N 0.427 119.503 119.070 0.009 0.000 2.533 170 H HA 0.115 4.679 4.556 0.013 0.000 0.271 170 H C 0.127 175.461 175.328 0.010 0.000 1.000 170 H CA 0.249 56.317 56.048 0.033 0.000 1.149 170 H CB 0.033 29.836 29.762 0.068 0.000 1.375 170 H HN 0.356 nan 8.280 nan 0.000 0.582 171 K N 0.778 121.202 120.400 0.039 0.000 3.257 171 K HA -0.164 4.163 4.320 0.012 0.000 0.270 171 K C -0.432 176.166 176.600 -0.002 0.000 0.984 171 K CA 0.026 56.310 56.287 -0.005 0.000 0.739 171 K CB -1.602 30.896 32.500 -0.003 0.000 1.351 171 K HN 0.306 nan 8.250 nan 0.000 0.463 172 L N 2.180 123.395 121.223 -0.012 0.000 2.382 172 L HA 0.019 4.367 4.340 0.012 0.000 0.259 172 L C 1.164 178.026 176.870 -0.013 0.000 1.291 172 L CA -0.196 54.643 54.840 -0.002 0.000 1.176 172 L CB -0.210 41.847 42.059 -0.003 0.000 1.373 172 L HN 0.256 nan 8.230 nan 0.000 0.426 173 D N -0.389 119.994 120.400 -0.028 0.000 2.323 173 D HA -0.103 4.544 4.640 0.012 0.000 0.239 173 D C 0.951 177.226 176.300 -0.041 0.000 1.129 173 D CA 0.010 53.986 54.000 -0.040 0.000 0.865 173 D CB -0.118 40.660 40.800 -0.036 0.000 0.913 173 D HN 0.436 nan 8.370 nan 0.000 0.517 174 N N -0.209 118.473 118.700 -0.029 0.000 2.205 174 N HA 0.040 4.787 4.740 0.012 0.000 0.201 174 N C -0.695 174.817 175.510 0.003 0.000 1.128 174 N CA -0.582 52.435 53.050 -0.055 0.000 0.867 174 N CB -0.219 38.204 38.487 -0.106 0.000 0.996 174 N HN 0.126 nan 8.380 nan 0.000 0.503 175 F N 1.714 121.577 119.950 -0.144 0.000 2.426 175 F HA 0.598 5.132 4.527 0.012 0.000 0.348 175 F C -1.030 174.708 175.800 -0.104 0.000 1.124 175 F CA -2.138 55.795 58.000 -0.111 0.000 1.008 175 F CB 0.810 39.771 39.000 -0.065 0.000 1.139 175 F HN -0.135 nan 8.300 nan 0.000 0.452 176 I N 7.835 128.145 120.570 -0.434 0.000 2.411 176 I HA 0.273 4.450 4.170 0.012 0.000 0.284 176 I C -1.386 174.425 176.117 -0.511 0.000 1.012 176 I CA -0.957 60.071 61.300 -0.453 0.000 1.119 176 I CB 1.743 39.584 38.000 -0.265 0.000 1.261 176 I HN 0.413 nan 8.210 nan 0.000 0.448 177 L N 8.599 129.457 121.223 -0.608 0.000 2.272 177 L HA 0.581 4.928 4.340 0.012 0.000 0.289 177 L C -0.706 176.034 176.870 -0.218 0.000 1.032 177 L CA -0.034 54.561 54.840 -0.408 0.000 0.810 177 L CB 0.977 42.789 42.059 -0.412 0.000 1.205 177 L HN 0.400 nan 8.230 nan 0.000 0.422 178 I N 6.081 126.573 120.570 -0.130 0.000 2.328 178 I HA 0.191 4.368 4.170 0.012 0.000 0.287 178 I C -1.178 174.902 176.117 -0.062 0.000 1.012 178 I CA -0.738 60.496 61.300 -0.111 0.000 1.195 178 I CB 0.857 38.784 38.000 -0.122 0.000 1.350 178 I HN 0.524 nan 8.210 nan 0.000 0.464 179 Y N 6.473 126.643 120.300 -0.217 0.000 2.425 179 Y HA 0.258 4.813 4.550 0.009 0.000 0.347 179 Y C 0.040 175.838 175.900 -0.171 0.000 0.976 179 Y CA -1.452 56.529 58.100 -0.198 0.000 1.190 179 Y CB 0.583 38.898 38.460 -0.242 0.000 1.136 179 Y HN 0.486 nan 8.280 nan 0.000 0.517 180 D N 4.379 124.700 120.400 -0.131 0.000 2.416 180 D HA 0.015 4.662 4.640 0.012 0.000 0.240 180 D C -0.626 175.388 176.300 -0.478 0.000 1.250 180 D CA 0.404 54.242 54.000 -0.270 0.000 0.967 180 D CB 0.235 40.954 40.800 -0.135 0.000 1.059 180 D HN 0.425 nan 8.370 nan 0.000 0.512 181 S N 3.337 118.606 115.700 -0.718 0.000 2.592 181 S HA 0.151 4.628 4.470 0.012 0.000 0.305 181 S C 0.729 175.146 174.600 -0.305 0.000 1.118 181 S CA -0.828 56.940 58.200 -0.719 0.000 1.075 181 S CB -0.311 62.372 63.200 -0.862 0.000 1.107 181 S HN 0.509 nan 8.310 nan 0.000 0.503 182 N N 3.770 122.370 118.700 -0.168 0.000 2.205 182 N HA 0.081 4.828 4.740 0.012 0.000 0.201 182 N C 0.462 175.960 175.510 -0.019 0.000 1.128 182 N CA -0.099 52.910 53.050 -0.069 0.000 0.867 182 N CB -0.566 37.906 38.487 -0.024 0.000 0.996 182 N HN 0.758 nan 8.380 nan 0.000 0.503 183 N N -0.428 118.262 118.700 -0.016 0.000 2.778 183 N HA -0.145 4.602 4.740 0.012 0.000 0.249 183 N C -1.198 174.333 175.510 0.036 0.000 1.069 183 N CA 0.523 53.586 53.050 0.023 0.000 0.831 183 N CB -0.433 38.068 38.487 0.023 0.000 1.142 183 N HN 0.204 nan 8.380 nan 0.000 0.573 184 I N 1.044 121.636 120.570 0.037 0.000 2.545 184 I HA 0.327 4.505 4.170 0.012 0.000 0.292 184 I C 0.573 176.707 176.117 0.028 0.000 1.040 184 I CA -0.279 61.051 61.300 0.050 0.000 1.068 184 I CB 1.855 39.905 38.000 0.083 0.000 1.251 184 I HN 0.213 nan 8.210 nan 0.000 0.424 185 S N 5.274 120.970 115.700 -0.007 0.000 2.851 185 S HA 0.606 5.083 4.470 0.012 0.000 0.317 185 S C 0.973 175.495 174.600 -0.130 0.000 1.144 185 S CA -0.728 57.417 58.200 -0.091 0.000 0.862 185 S CB 1.434 64.579 63.200 -0.091 0.000 1.259 185 S HN 0.448 nan 8.310 nan 0.000 0.564 186 I N 1.041 121.466 120.570 -0.242 0.000 2.361 186 I HA -0.094 4.083 4.170 0.012 0.000 0.251 186 I C 2.153 178.202 176.117 -0.113 0.000 1.133 186 I CA 1.391 62.578 61.300 -0.188 0.000 1.413 186 I CB -0.309 37.563 38.000 -0.212 0.000 1.073 186 I HN 0.719 nan 8.210 nan 0.000 0.424 187 E N 0.337 120.463 120.200 -0.123 0.000 2.489 187 E HA 0.167 4.524 4.350 0.012 0.000 0.193 187 E C 1.027 177.509 176.600 -0.198 0.000 1.057 187 E CA 0.413 56.728 56.400 -0.142 0.000 0.866 187 E CB 0.369 30.015 29.700 -0.089 0.000 0.916 187 E HN 0.590 nan 8.360 nan 0.000 0.500 188 G N 1.588 110.284 108.800 -0.173 0.000 2.659 188 G HA2 -0.222 3.746 3.960 0.012 0.000 0.214 188 G HA3 -0.222 3.746 3.960 0.012 0.000 0.214 188 G C -0.864 174.015 174.900 -0.034 0.000 1.191 188 G CA -0.365 44.645 45.100 -0.151 0.000 1.141 188 G HN 0.235 nan 8.290 nan 0.000 0.581 189 D N 0.879 121.268 120.400 -0.019 0.000 2.425 189 D HA 0.310 4.958 4.640 0.012 0.000 0.247 189 D C 1.868 178.183 176.300 0.025 0.000 1.147 189 D CA 0.455 54.465 54.000 0.016 0.000 0.879 189 D CB 1.616 42.427 40.800 0.018 0.000 1.179 189 D HN 0.177 nan 8.370 nan 0.000 0.456 190 V N 4.378 124.320 119.914 0.047 0.000 2.594 190 V HA -0.169 3.958 4.120 0.012 0.000 0.253 190 V C 2.392 178.560 176.094 0.124 0.000 1.069 190 V CA 2.040 64.386 62.300 0.076 0.000 1.082 190 V CB -0.394 31.482 31.823 0.088 0.000 0.680 190 V HN 0.803 nan 8.190 nan 0.000 0.469 191 G N -0.237 108.624 108.800 0.102 0.000 2.516 191 G HA2 -0.238 3.729 3.960 0.012 0.000 0.221 191 G HA3 -0.238 3.729 3.960 0.012 0.000 0.221 191 G C 1.497 176.435 174.900 0.064 0.000 1.107 191 G CA 0.728 45.881 45.100 0.088 0.000 0.747 191 G HN 0.515 nan 8.290 nan 0.000 0.567 192 L N -0.372 120.880 121.223 0.049 0.000 2.191 192 L HA 0.047 4.394 4.340 0.012 0.000 0.212 192 L C 2.703 179.601 176.870 0.046 0.000 1.103 192 L CA 1.192 56.051 54.840 0.031 0.000 0.769 192 L CB -0.008 42.057 42.059 0.009 0.000 0.908 192 L HN 0.343 nan 8.230 nan 0.000 0.438 193 A N -2.424 120.447 122.820 0.086 0.000 2.653 193 A HA 0.268 4.595 4.320 0.012 0.000 0.248 193 A C -0.090 177.628 177.584 0.223 0.000 1.211 193 A CA -0.221 51.885 52.037 0.115 0.000 0.991 193 A CB 0.606 19.660 19.000 0.090 0.000 1.252 193 A HN 0.165 nan 8.150 nan 0.000 0.593 194 F N 1.479 121.444 119.950 0.024 0.000 2.623 194 F HA 0.458 4.994 4.527 0.015 0.000 0.323 194 F C -0.961 174.864 175.800 0.041 0.000 1.158 194 F CA -0.612 57.412 58.000 0.039 0.000 1.030 194 F CB 1.611 40.642 39.000 0.051 0.000 1.280 194 F HN 0.068 nan 8.300 nan 0.000 0.474 195 N N 3.302 121.765 118.700 -0.396 0.000 2.390 195 N HA 0.081 4.829 4.740 0.012 0.000 0.259 195 N C -0.958 174.320 175.510 -0.388 0.000 1.395 195 N CA -0.377 52.510 53.050 -0.272 0.000 0.852 195 N CB -0.106 38.319 38.487 -0.103 0.000 1.371 195 N HN 0.656 nan 8.380 nan 0.000 0.491 196 E N 0.770 120.504 120.200 -0.778 0.000 2.436 196 E HA -0.049 4.309 4.350 0.012 0.000 0.262 196 E C -0.210 176.284 176.600 -0.176 0.000 1.063 196 E CA -0.044 56.085 56.400 -0.452 0.000 0.944 196 E CB 0.550 29.962 29.700 -0.481 0.000 0.950 196 E HN 0.189 nan 8.360 nan 0.000 0.444 197 N N 2.368 121.025 118.700 -0.071 0.000 2.448 197 N HA -0.014 4.733 4.740 0.012 0.000 0.250 197 N C 0.344 175.896 175.510 0.070 0.000 1.136 197 N CA 0.041 53.097 53.050 0.009 0.000 0.953 197 N CB 0.741 39.233 38.487 0.007 0.000 1.251 197 N HN 0.224 nan 8.380 nan 0.000 0.502 198 V N 3.038 123.033 119.914 0.136 0.000 2.515 198 V HA -0.129 3.999 4.120 0.012 0.000 0.250 198 V C 1.631 177.858 176.094 0.222 0.000 1.058 198 V CA 1.234 63.670 62.300 0.228 0.000 1.064 198 V CB -0.548 31.447 31.823 0.286 0.000 0.675 198 V HN 0.605 nan 8.190 nan 0.000 0.461 202 F N 2.552 122.447 119.950 -0.092 0.000 2.293 202 F HA 0.205 4.735 4.527 0.004 0.000 0.297 202 F C 2.031 177.849 175.800 0.029 0.000 1.089 202 F CA 1.523 59.415 58.000 -0.180 0.000 1.377 202 F CB 0.153 38.933 39.000 -0.366 0.000 1.051 202 F HN 0.185 nan 8.300 nan 0.000 0.511 203 E N 0.056 120.388 120.200 0.219 0.000 2.110 203 E HA -0.193 4.165 4.350 0.012 0.000 0.193 203 E C 2.394 179.078 176.600 0.140 0.000 0.988 203 E CA 0.931 57.441 56.400 0.183 0.000 0.804 203 E CB -0.288 29.487 29.700 0.126 0.000 0.745 203 E HN 0.355 nan 8.360 nan 0.000 0.458 204 A N 1.060 123.935 122.820 0.092 0.000 2.024 204 A HA -0.221 4.107 4.320 0.012 0.000 0.220 204 A C 1.807 179.435 177.584 0.073 0.000 1.164 204 A CA 1.271 53.343 52.037 0.060 0.000 0.643 204 A CB -0.237 18.779 19.000 0.027 0.000 0.806 204 A HN 0.201 nan 8.150 nan 0.000 0.451 205 Q N -1.627 118.236 119.800 0.106 0.000 2.246 205 Q HA 0.311 4.659 4.340 0.012 0.000 0.202 205 Q C 0.804 176.992 176.000 0.313 0.000 0.883 205 Q CA 0.257 56.163 55.803 0.170 0.000 0.952 205 Q CB 0.288 29.084 28.738 0.098 0.000 1.078 205 Q HN 0.851 nan 8.270 nan 0.000 0.493 206 G N 0.814 109.775 108.800 0.268 0.000 2.132 206 G HA2 -0.247 3.720 3.960 0.012 0.000 0.228 206 G HA3 -0.247 3.720 3.960 0.012 0.000 0.228 206 G C -0.330 174.702 174.900 0.220 0.000 1.000 206 G CA -0.405 44.811 45.100 0.194 0.000 0.693 206 G HN 0.223 nan 8.290 nan 0.000 0.515 207 F N 0.725 120.751 119.950 0.126 0.000 2.377 207 F HA 0.571 5.103 4.527 0.007 0.000 0.328 207 F C 0.824 176.673 175.800 0.081 0.000 1.094 207 F CA -1.042 57.039 58.000 0.134 0.000 1.093 207 F CB 1.206 40.343 39.000 0.229 0.000 1.214 207 F HN 0.170 nan 8.300 nan 0.000 0.518 208 E N 1.512 121.830 120.200 0.196 0.000 2.283 208 E HA 0.486 4.843 4.350 0.012 0.000 0.278 208 E C -1.601 175.076 176.600 0.127 0.000 1.027 208 E CA -0.392 56.083 56.400 0.124 0.000 0.843 208 E CB 0.992 30.724 29.700 0.052 0.000 1.062 208 E HN 0.400 nan 8.360 nan 0.000 0.401 209 V N 6.368 126.331 119.914 0.081 0.000 2.444 209 V HA 0.348 4.476 4.120 0.012 0.000 0.294 209 V C -0.211 175.883 176.094 -0.001 0.000 1.022 209 V CA -0.715 61.601 62.300 0.026 0.000 0.850 209 V CB 1.150 32.988 31.823 0.026 0.000 0.992 209 V HN 0.636 nan 8.190 nan 0.000 0.426 210 L N 3.209 124.414 121.223 -0.030 0.000 2.334 210 L HA 0.726 5.073 4.340 0.012 0.000 0.273 210 L C 0.004 176.841 176.870 -0.055 0.000 1.013 210 L CA -0.313 54.505 54.840 -0.037 0.000 0.816 210 L CB 2.223 44.256 42.059 -0.043 0.000 1.278 210 L HN 0.566 nan 8.230 nan 0.000 0.431 211 S N 3.306 118.976 115.700 -0.050 0.000 2.647 211 S HA 0.730 5.207 4.470 0.012 0.000 0.300 211 S C -0.593 173.965 174.600 -0.070 0.000 1.129 211 S CA -0.548 57.615 58.200 -0.062 0.000 1.029 211 S CB 1.602 64.777 63.200 -0.042 0.000 1.007 211 S HN 0.539 nan 8.310 nan 0.000 0.484 212 I N 0.410 120.922 120.570 -0.097 0.000 3.174 212 I HA 0.684 4.862 4.170 0.012 0.000 0.313 212 I C -0.922 175.117 176.117 -0.130 0.000 1.155 212 I CA -1.059 60.179 61.300 -0.104 0.000 0.977 212 I CB 1.897 39.831 38.000 -0.110 0.000 1.248 212 I HN 0.415 nan 8.210 nan 0.000 0.453 213 N N 2.256 120.881 118.700 -0.125 0.000 2.408 213 N HA 0.307 5.054 4.740 0.012 0.000 0.257 213 N C 0.616 175.992 175.510 -0.222 0.000 1.064 213 N CA -0.145 52.815 53.050 -0.150 0.000 0.952 213 N CB 1.615 40.042 38.487 -0.099 0.000 1.093 213 N HN 0.925 nan 8.380 nan 0.000 0.490 214 G N 2.024 110.615 108.800 -0.349 0.000 3.026 214 G HA2 -0.084 3.883 3.960 0.012 0.000 0.208 214 G HA3 -0.084 3.883 3.960 0.012 0.000 0.208 214 G C 0.455 175.005 174.900 -0.584 0.000 1.169 214 G CA 0.222 45.053 45.100 -0.448 0.000 0.788 214 G HN 0.719 nan 8.290 nan 0.000 0.533 215 H N -0.410 118.527 119.070 -0.221 0.000 2.592 215 H HA 0.149 4.713 4.556 0.013 0.000 0.279 215 H C -0.545 174.518 175.328 -0.441 0.000 1.089 215 H CA -0.447 55.412 56.048 -0.316 0.000 1.150 215 H CB 1.028 30.658 29.762 -0.220 0.000 1.575 215 H HN 0.275 nan 8.280 nan 0.000 0.547 216 D N 0.488 120.728 120.400 -0.267 0.000 2.412 216 D HA 0.007 4.654 4.640 0.012 0.000 0.224 216 D C 0.389 176.555 176.300 -0.223 0.000 1.093 216 D CA -0.543 53.312 54.000 -0.241 0.000 0.850 216 D CB 0.672 41.403 40.800 -0.114 0.000 1.046 216 D HN 0.044 nan 8.370 nan 0.000 0.507 217 Y N 2.375 122.671 120.300 -0.006 0.000 2.165 217 Y HA -0.155 4.403 4.550 0.013 0.000 0.286 217 Y C 2.277 178.160 175.900 -0.029 0.000 1.155 217 Y CA 0.968 59.056 58.100 -0.019 0.000 1.164 217 Y CB -0.124 38.322 38.460 -0.023 0.000 0.978 217 Y HN 0.484 nan 8.280 nan 0.000 0.513 218 E N -0.064 120.204 120.200 0.114 0.000 2.106 218 E HA -0.222 4.135 4.350 0.012 0.000 0.192 218 E C 2.086 178.698 176.600 0.020 0.000 0.984 218 E CA 1.118 57.551 56.400 0.055 0.000 0.806 218 E CB -0.110 29.614 29.700 0.039 0.000 0.750 218 E HN 0.558 nan 8.360 nan 0.000 0.458 219 E N 0.585 120.781 120.200 -0.007 0.000 2.106 219 E HA -0.164 4.193 4.350 0.012 0.000 0.192 219 E C 2.069 178.645 176.600 -0.040 0.000 0.984 219 E CA 0.585 56.967 56.400 -0.030 0.000 0.806 219 E CB 0.053 29.721 29.700 -0.053 0.000 0.750 219 E HN 0.207 nan 8.360 nan 0.000 0.458 220 I N 1.175 121.718 120.570 -0.044 0.000 2.163 220 I HA -0.296 3.881 4.170 0.012 0.000 0.243 220 I C 2.410 178.505 176.117 -0.037 0.000 1.085 220 I CA 1.302 62.570 61.300 -0.054 0.000 1.347 220 I CB -0.376 37.598 38.000 -0.043 0.000 1.044 220 I HN 0.153 nan 8.210 nan 0.000 0.408 221 N N 1.181 119.893 118.700 0.020 0.000 2.120 221 N HA -0.253 4.494 4.740 0.012 0.000 0.188 221 N C 1.851 177.377 175.510 0.026 0.000 1.024 221 N CA 1.545 54.631 53.050 0.061 0.000 0.852 221 N CB -0.119 38.431 38.487 0.105 0.000 1.003 221 N HN 0.175 nan 8.380 nan 0.000 0.424 222 K N -0.300 120.108 120.400 0.014 0.000 2.063 222 K HA -0.089 4.238 4.320 0.012 0.000 0.208 222 K C 1.825 178.414 176.600 -0.017 0.000 1.048 222 K CA 1.324 57.615 56.287 0.007 0.000 0.928 222 K CB -0.266 32.235 32.500 0.002 0.000 0.713 222 K HN 0.262 nan 8.250 nan 0.000 0.442 223 A N 1.097 123.893 122.820 -0.041 0.000 1.898 223 A HA -0.091 4.236 4.320 0.012 0.000 0.216 223 A C 2.088 179.628 177.584 -0.072 0.000 1.181 223 A CA 1.166 53.170 52.037 -0.055 0.000 0.620 223 A CB -0.513 18.445 19.000 -0.070 0.000 0.819 223 A HN 0.312 nan 8.150 nan 0.000 0.442 224 L N -0.569 120.578 121.223 -0.126 0.000 2.056 224 L HA -0.161 4.186 4.340 0.012 0.000 0.207 224 L C 2.631 179.422 176.870 -0.131 0.000 1.078 224 L CA 1.199 55.917 54.840 -0.204 0.000 0.749 224 L CB -0.533 41.206 42.059 -0.533 0.000 0.901 224 L HN 0.346 nan 8.230 nan 0.000 0.433 225 E N -0.065 120.101 120.200 -0.056 0.000 2.110 225 E HA -0.296 4.061 4.350 0.012 0.000 0.193 225 E C 2.055 178.672 176.600 0.027 0.000 0.988 225 E CA 1.357 57.786 56.400 0.048 0.000 0.804 225 E CB -0.133 29.621 29.700 0.089 0.000 0.745 225 E HN 0.560 nan 8.360 nan 0.000 0.458 226 Q N 0.300 120.102 119.800 0.004 0.000 2.083 226 Q HA -0.051 4.297 4.340 0.012 0.000 0.198 226 Q C 2.107 178.105 176.000 -0.005 0.000 0.969 226 Q CA 1.233 57.038 55.803 0.003 0.000 0.838 226 Q CB -0.061 28.675 28.738 -0.004 0.000 0.900 226 Q HN 0.196 nan 8.270 nan 0.000 0.436 227 A N 1.271 124.080 122.820 -0.018 0.000 1.908 227 A HA -0.222 4.105 4.320 0.012 0.000 0.218 227 A C 1.912 179.483 177.584 -0.022 0.000 1.181 227 A CA 1.800 53.821 52.037 -0.027 0.000 0.627 227 A CB -0.424 18.553 19.000 -0.038 0.000 0.818 227 A HN 0.365 nan 8.150 nan 0.000 0.445 228 K N -0.410 119.992 120.400 0.005 0.000 2.360 228 K HA -0.062 4.265 4.320 0.012 0.000 0.201 228 K C 1.394 178.004 176.600 0.018 0.000 1.046 228 K CA 1.220 57.520 56.287 0.022 0.000 0.945 228 K CB -0.036 32.515 32.500 0.084 0.000 0.750 228 K HN 0.410 nan 8.250 nan 0.000 0.464 229 K N 0.318 120.727 120.400 0.015 0.000 2.358 229 K HA 0.098 4.425 4.320 0.012 0.000 0.197 229 K C 0.409 177.010 176.600 0.001 0.000 1.025 229 K CA -0.145 56.150 56.287 0.014 0.000 1.104 229 K CB 0.780 33.292 32.500 0.020 0.000 0.855 229 K HN -0.070 nan 8.250 nan 0.000 0.531 230 S N 1.147 116.841 115.700 -0.010 0.000 2.573 230 S HA -0.023 4.454 4.470 0.012 0.000 0.277 230 S C 1.254 175.844 174.600 -0.018 0.000 1.346 230 S CA -0.022 58.169 58.200 -0.015 0.000 1.034 230 S CB 0.757 63.941 63.200 -0.028 0.000 0.879 230 S HN 0.420 nan 8.310 nan 0.000 0.528 231 T N 1.248 115.794 114.554 -0.014 0.000 3.107 231 T HA 0.357 4.714 4.350 0.012 0.000 0.249 231 T C 0.227 174.909 174.700 -0.029 0.000 1.096 231 T CA 0.028 62.118 62.100 -0.017 0.000 1.012 231 T CB -0.136 68.727 68.868 -0.008 0.000 0.977 231 T HN 0.494 nan 8.240 nan 0.000 0.527 232 K N 1.739 122.113 120.400 -0.043 0.000 2.395 232 K HA 0.500 4.827 4.320 0.012 0.000 0.247 232 K C -3.004 173.512 176.600 -0.140 0.000 0.973 232 K CA -2.848 53.391 56.287 -0.080 0.000 0.828 232 K CB 1.790 34.261 32.500 -0.048 0.000 1.272 232 K HN -0.084 nan 8.250 nan 0.000 0.439 233 P HA -0.100 nan 4.420 nan 0.000 0.264 233 P C -0.602 176.499 177.300 -0.332 0.000 1.183 233 P CA -0.088 62.761 63.100 -0.418 0.000 0.763 233 P CB 0.419 31.574 31.700 -0.908 0.000 0.807 234 C N 5.305 124.513 119.300 -0.154 0.000 2.379 234 C HA 0.627 5.094 4.460 0.012 0.000 0.323 234 C C -0.482 174.521 174.990 0.022 0.000 1.262 234 C CA -0.705 58.314 59.018 0.000 0.000 1.581 234 C CB -0.013 27.691 27.740 -0.060 0.000 2.221 234 C HN 0.588 nan 8.230 nan 0.000 0.497 235 L N 7.416 128.678 121.223 0.066 0.000 2.287 235 L HA 0.679 5.026 4.340 0.012 0.000 0.287 235 L C -0.658 176.119 176.870 -0.154 0.000 1.022 235 L CA -0.025 54.711 54.840 -0.173 0.000 0.814 235 L CB 0.989 42.743 42.059 -0.509 0.000 1.217 235 L HN 0.653 nan 8.230 nan 0.000 0.420 236 I N 6.692 127.168 120.570 -0.157 0.000 2.307 236 I HA 0.306 4.483 4.170 0.012 0.000 0.289 236 I C -0.273 175.766 176.117 -0.129 0.000 1.021 236 I CA -0.305 60.919 61.300 -0.126 0.000 1.224 236 I CB 0.939 38.871 38.000 -0.113 0.000 1.376 236 I HN 0.508 nan 8.210 nan 0.000 0.470 237 I N 6.453 126.952 120.570 -0.118 0.000 2.308 237 I HA 0.290 4.468 4.170 0.012 0.000 0.293 237 I C 0.553 176.557 176.117 -0.189 0.000 1.078 237 I CA -0.101 61.124 61.300 -0.125 0.000 1.292 237 I CB 0.766 38.728 38.000 -0.064 0.000 1.423 237 I HN 0.585 nan 8.210 nan 0.000 0.493 238 A N 7.334 129.995 122.820 -0.266 0.000 2.273 238 A HA 0.326 4.654 4.320 0.012 0.000 0.320 238 A C -0.004 177.389 177.584 -0.317 0.000 1.358 238 A CA -0.700 51.176 52.037 -0.267 0.000 0.910 238 A CB 0.432 19.277 19.000 -0.258 0.000 1.159 238 A HN 0.736 nan 8.150 nan 0.000 0.526 239 K N 2.619 122.862 120.400 -0.260 0.000 2.349 239 K HA 0.360 4.687 4.320 0.012 0.000 0.288 239 K C 0.186 176.625 176.600 -0.269 0.000 1.058 239 K CA 0.424 56.571 56.287 -0.234 0.000 0.953 239 K CB 0.302 32.711 32.500 -0.152 0.000 0.997 239 K HN 0.788 nan 8.250 nan 0.000 0.477 240 T N -0.059 114.350 114.554 -0.241 0.000 2.864 240 T HA 0.381 4.738 4.350 0.012 0.000 0.289 240 T C -0.484 174.244 174.700 0.046 0.000 1.082 240 T CA -0.872 61.097 62.100 -0.219 0.000 1.009 240 T CB 1.722 70.413 68.868 -0.296 0.000 1.234 240 T HN 0.324 nan 8.240 nan 0.000 0.526 241 T N 1.907 116.647 114.554 0.310 0.000 2.758 241 T HA 0.463 4.820 4.350 0.012 0.000 0.285 241 T C 0.244 175.007 174.700 0.104 0.000 0.981 241 T CA -0.549 61.636 62.100 0.141 0.000 0.965 241 T CB 0.460 69.368 68.868 0.067 0.000 0.927 241 T HN 0.705 nan 8.240 nan 0.000 0.448 242 I N 3.021 123.628 120.570 0.061 0.000 2.752 242 I HA 0.241 4.419 4.170 0.012 0.000 0.287 242 I C 0.991 177.126 176.117 0.030 0.000 1.188 242 I CA 0.498 61.832 61.300 0.057 0.000 1.427 242 I CB 0.251 38.298 38.000 0.077 0.000 1.365 242 I HN 0.999 nan 8.210 nan 0.000 0.585 243 A N 4.295 127.126 122.820 0.018 0.000 2.832 243 A HA -0.264 4.063 4.320 0.012 0.000 0.280 243 A C 0.648 178.203 177.584 -0.049 0.000 1.464 243 A CA 1.160 53.189 52.037 -0.014 0.000 0.804 243 A CB -1.921 17.075 19.000 -0.006 0.000 1.020 243 A HN 0.791 nan 8.150 nan 0.000 0.563 244 K N -0.066 120.291 120.400 -0.073 0.000 2.491 244 K HA 0.366 4.694 4.320 0.012 0.000 0.279 244 K C 1.546 178.048 176.600 -0.163 0.000 1.026 244 K CA 1.842 58.023 56.287 -0.177 0.000 1.070 244 K CB -0.290 31.985 32.500 -0.376 0.000 0.887 244 K HN 1.871 nan 8.250 nan 0.000 0.481 245 G N 2.369 111.087 108.800 -0.136 0.000 2.213 245 G HA2 -0.258 3.710 3.960 0.012 0.000 0.236 245 G HA3 -0.258 3.710 3.960 0.012 0.000 0.236 245 G C 0.495 175.384 174.900 -0.019 0.000 0.991 245 G CA 0.206 45.255 45.100 -0.086 0.000 0.629 245 G HN 0.973 nan 8.290 nan 0.000 0.517 246 A N 0.592 123.396 122.820 -0.026 0.000 2.640 246 A HA 0.667 4.994 4.320 0.012 0.000 0.282 246 A C 2.279 179.862 177.584 -0.002 0.000 1.357 246 A CA 1.384 53.423 52.037 0.004 0.000 0.946 246 A CB -0.911 18.088 19.000 -0.002 0.000 1.065 246 A HN 2.413 nan 8.150 nan 0.000 0.541 247 G N 1.624 110.421 108.800 -0.005 0.000 2.665 247 G HA2 -0.494 3.474 3.960 0.012 0.000 0.326 247 G HA3 -0.494 3.474 3.960 0.012 0.000 0.326 247 G C 1.003 175.897 174.900 -0.010 0.000 1.231 247 G CA 1.088 46.185 45.100 -0.005 0.000 0.992 247 G HN 0.973 nan 8.290 nan 0.000 0.549 248 E N 0.776 120.972 120.200 -0.008 0.000 2.333 248 E HA 0.128 4.485 4.350 0.012 0.000 0.198 248 E C 2.434 179.024 176.600 -0.017 0.000 1.007 248 E CA 1.351 57.744 56.400 -0.011 0.000 0.845 248 E CB -0.148 29.546 29.700 -0.010 0.000 0.766 248 E HN 0.526 nan 8.360 nan 0.000 0.507 249 L N 1.134 122.346 121.223 -0.018 0.000 2.592 249 L HA 0.109 4.456 4.340 0.012 0.000 0.227 249 L C 0.551 177.409 176.870 -0.020 0.000 1.127 249 L CA -0.099 54.726 54.840 -0.025 0.000 0.884 249 L CB -0.102 41.942 42.059 -0.025 0.000 1.065 249 L HN 0.106 nan 8.230 nan 0.000 0.457 250 E N 0.635 120.824 120.200 -0.018 0.000 2.465 250 E HA 0.048 4.405 4.350 0.012 0.000 0.260 250 E C 1.091 177.688 176.600 -0.004 0.000 0.980 250 E CA 0.689 57.078 56.400 -0.018 0.000 0.927 250 E CB 0.397 30.079 29.700 -0.029 0.000 0.934 250 E HN 0.344 nan 8.360 nan 0.000 0.459 251 G N 2.929 111.735 108.800 0.009 0.000 2.155 251 G HA2 -0.321 3.646 3.960 0.012 0.000 0.257 251 G HA3 -0.321 3.646 3.960 0.012 0.000 0.257 251 G C 0.300 175.222 174.900 0.037 0.000 0.983 251 G CA 0.645 45.760 45.100 0.026 0.000 0.676 251 G HN 0.507 nan 8.290 nan 0.000 0.528 252 S N 0.073 115.782 115.700 0.014 0.000 2.508 252 S HA 0.518 4.995 4.470 0.012 0.000 0.284 252 S C 1.723 176.313 174.600 -0.017 0.000 1.192 252 S CA 0.322 58.511 58.200 -0.019 0.000 1.070 252 S CB 0.490 63.635 63.200 -0.093 0.000 1.004 252 S HN 0.583 nan 8.310 nan 0.000 0.493 253 H N 4.329 123.425 119.070 0.043 0.000 2.491 253 H HA 0.065 4.628 4.556 0.012 0.000 0.290 253 H C 0.973 176.349 175.328 0.080 0.000 1.050 253 H CA 1.009 57.092 56.048 0.058 0.000 1.309 253 H CB -0.115 29.663 29.762 0.027 0.000 1.392 253 H HN 0.634 nan 8.280 nan 0.000 0.554 254 K N 1.207 121.279 120.400 -0.547 0.000 2.362 254 K HA -0.067 4.260 4.320 0.012 0.000 0.200 254 K C 2.229 178.786 176.600 -0.072 0.000 1.046 254 K CA 1.199 57.321 56.287 -0.276 0.000 0.952 254 K CB 0.101 32.431 32.500 -0.283 0.000 0.753 254 K HN 0.411 nan 8.250 nan 0.000 0.466 255 S N -0.163 115.517 115.700 -0.032 0.000 2.562 255 S HA -0.105 4.372 4.470 0.012 0.000 0.221 255 S C 1.725 176.362 174.600 0.062 0.000 0.975 255 S CA 0.547 58.754 58.200 0.011 0.000 0.918 255 S CB -0.264 62.943 63.200 0.012 0.000 0.772 255 S HN 0.433 nan 8.310 nan 0.000 0.531 256 H N 2.066 121.165 119.070 0.049 0.000 2.321 256 H HA 0.132 4.695 4.556 0.012 0.000 0.300 256 H C 1.577 176.991 175.328 0.143 0.000 1.087 256 H CA 1.953 58.072 56.048 0.119 0.000 1.319 256 H CB -0.574 29.257 29.762 0.115 0.000 1.379 256 H HN 0.470 nan 8.280 nan 0.000 0.501 257 G N -1.560 107.182 108.800 -0.098 0.000 4.530 257 G HA2 0.583 4.550 3.960 0.012 0.000 0.284 257 G HA3 0.583 4.550 3.960 0.012 0.000 0.284 257 G C -0.745 174.000 174.900 -0.259 0.000 1.008 257 G CA 0.262 45.158 45.100 -0.341 0.000 0.770 257 G HN 0.648 nan 8.290 nan 0.000 0.424 258 A N 0.088 122.826 122.820 -0.136 0.000 2.587 258 A HA 0.908 5.235 4.320 0.012 0.000 0.293 258 A C -3.136 174.416 177.584 -0.052 0.000 1.087 258 A CA -1.382 50.603 52.037 -0.086 0.000 0.692 258 A CB 1.497 20.473 19.000 -0.041 0.000 1.291 258 A HN -0.014 nan 8.150 nan 0.000 0.407 259 P HA 0.186 nan 4.420 nan 0.000 0.267 259 P C 0.707 178.001 177.300 -0.009 0.000 1.200 259 P CA -0.042 63.055 63.100 -0.005 0.000 0.772 259 P CB 0.419 32.124 31.700 0.009 0.000 0.855 260 L N 1.171 122.391 121.223 -0.005 0.000 2.201 260 L HA 0.101 4.448 4.340 0.012 0.000 0.212 260 L C 1.182 178.049 176.870 -0.005 0.000 1.105 260 L CA 1.136 55.973 54.840 -0.006 0.000 0.775 260 L CB -1.003 41.056 42.059 0.000 0.000 0.913 260 L HN 0.708 nan 8.230 nan 0.000 0.440 261 G N -0.206 108.593 108.800 -0.002 0.000 2.697 261 G HA2 -0.158 3.809 3.960 0.012 0.000 0.686 261 G HA3 -0.158 3.809 3.960 0.012 0.000 0.686 261 G C 0.082 174.981 174.900 -0.002 0.000 1.179 261 G CA -0.348 44.751 45.100 -0.001 0.000 0.765 261 G HN 0.175 nan 8.290 nan 0.000 0.649 262 E N 0.146 120.345 120.200 -0.001 0.000 2.097 262 E HA -0.173 4.184 4.350 0.012 0.000 0.196 262 E C 2.111 178.703 176.600 -0.014 0.000 1.000 262 E CA 1.550 57.947 56.400 -0.006 0.000 0.804 262 E CB 0.057 29.756 29.700 -0.001 0.000 0.740 262 E HN 0.580 nan 8.360 nan 0.000 0.454 263 E N 0.289 120.483 120.200 -0.010 0.000 2.107 263 E HA -0.101 4.256 4.350 0.012 0.000 0.191 263 E C 2.297 178.889 176.600 -0.014 0.000 0.982 263 E CA 0.444 56.836 56.400 -0.013 0.000 0.809 263 E CB -0.047 29.647 29.700 -0.009 0.000 0.756 263 E HN 0.108 nan 8.360 nan 0.000 0.459 264 V N 1.629 121.538 119.914 -0.009 0.000 2.343 264 V HA -0.235 3.892 4.120 0.012 0.000 0.247 264 V C 2.374 178.468 176.094 0.000 0.000 1.051 264 V CA 1.336 63.633 62.300 -0.003 0.000 1.036 264 V CB -0.385 31.437 31.823 -0.001 0.000 0.654 264 V HN 0.210 nan 8.190 nan 0.000 0.451 265 I N -0.626 119.940 120.570 -0.007 0.000 2.252 265 I HA -0.244 3.934 4.170 0.012 0.000 0.245 265 I C 2.535 178.599 176.117 -0.088 0.000 1.102 265 I CA 1.524 62.814 61.300 -0.017 0.000 1.385 265 I CB -0.402 37.583 38.000 -0.024 0.000 1.064 265 I HN 0.266 nan 8.210 nan 0.000 0.414 266 K N 1.032 121.388 120.400 -0.073 0.000 2.032 266 K HA -0.196 4.131 4.320 0.012 0.000 0.209 266 K C 2.133 178.685 176.600 -0.080 0.000 1.048 266 K CA 1.500 57.734 56.287 -0.088 0.000 0.927 266 K CB -0.115 32.352 32.500 -0.054 0.000 0.712 266 K HN 0.256 nan 8.250 nan 0.000 0.441 267 K N 0.336 120.709 120.400 -0.044 0.000 2.097 267 K HA -0.126 4.202 4.320 0.012 0.000 0.206 267 K C 2.227 178.818 176.600 -0.015 0.000 1.049 267 K CA 1.247 57.520 56.287 -0.024 0.000 0.933 267 K CB -0.158 32.337 32.500 -0.009 0.000 0.717 267 K HN 0.141 nan 8.250 nan 0.000 0.442 268 A N 1.955 124.775 122.820 -0.001 0.000 1.902 268 A HA -0.205 4.122 4.320 0.012 0.000 0.217 268 A C 1.947 179.537 177.584 0.010 0.000 1.181 268 A CA 1.569 53.655 52.037 0.081 0.000 0.623 268 A CB -0.301 18.833 19.000 0.223 0.000 0.818 268 A HN 0.188 nan 8.150 nan 0.000 0.443 269 K N -0.304 119.886 120.400 -0.351 0.000 2.026 269 K HA -0.156 4.172 4.320 0.012 0.000 0.208 269 K C 2.023 178.545 176.600 -0.130 0.000 1.048 269 K CA 1.583 57.507 56.287 -0.606 0.000 0.929 269 K CB -0.215 31.900 32.500 -0.641 0.000 0.713 269 K HN 0.611 nan 8.250 nan 0.000 0.439 270 E N 0.599 120.754 120.200 -0.076 0.000 2.049 270 E HA -0.241 4.116 4.350 0.012 0.000 0.198 270 E C 2.162 178.784 176.600 0.037 0.000 1.007 270 E CA 1.155 57.551 56.400 -0.008 0.000 0.809 270 E CB -0.027 29.665 29.700 -0.014 0.000 0.749 270 E HN 0.264 nan 8.360 nan 0.000 0.450 271 Q N -0.344 119.483 119.800 0.045 0.000 2.170 271 Q HA -0.095 4.252 4.340 0.012 0.000 0.203 271 Q C 1.855 177.925 176.000 0.118 0.000 0.976 271 Q CA 1.310 57.155 55.803 0.070 0.000 0.858 271 Q CB -0.160 28.614 28.738 0.061 0.000 0.907 271 Q HN 0.257 nan 8.270 nan 0.000 0.433 272 A N -0.770 122.159 122.820 0.183 0.000 2.275 272 A HA 0.391 4.718 4.320 0.012 0.000 0.212 272 A C 1.431 179.235 177.584 0.366 0.000 1.201 272 A CA 0.898 53.110 52.037 0.291 0.000 0.843 272 A CB 0.044 19.300 19.000 0.427 0.000 0.873 272 A HN 0.392 nan 8.150 nan 0.000 0.492 273 G N -1.977 106.976 108.800 0.254 0.000 2.141 273 G HA2 -0.228 3.740 3.960 0.012 0.000 0.242 273 G HA3 -0.228 3.740 3.960 0.012 0.000 0.242 273 G C -0.107 174.901 174.900 0.180 0.000 0.982 273 G CA 0.140 45.350 45.100 0.184 0.000 0.662 273 G HN 0.268 nan 8.290 nan 0.000 0.527 274 F N 1.071 121.005 119.950 -0.027 0.000 2.377 274 F HA 0.535 5.069 4.527 0.012 0.000 0.328 274 F C 0.672 176.376 175.800 -0.161 0.000 1.094 274 F CA -1.497 56.448 58.000 -0.091 0.000 1.093 274 F CB 1.032 39.927 39.000 -0.175 0.000 1.214 274 F HN -0.007 nan 8.300 nan 0.000 0.518 275 D N 4.165 124.540 120.400 -0.042 0.000 2.358 275 D HA 0.109 4.756 4.640 0.012 0.000 0.258 275 D C -1.682 174.570 176.300 -0.081 0.000 1.223 275 D CA -1.923 52.026 54.000 -0.085 0.000 0.886 275 D CB 1.288 41.998 40.800 -0.150 0.000 1.120 275 D HN 0.129 nan 8.370 nan 0.000 0.482 276 P HA -0.055 nan 4.420 nan 0.000 0.226 276 P C 0.402 177.659 177.300 -0.072 0.000 1.153 276 P CA 0.583 63.623 63.100 -0.101 0.000 0.777 276 P CB 0.401 32.053 31.700 -0.079 0.000 0.794 277 N N 0.036 118.703 118.700 -0.054 0.000 2.270 277 N HA 0.122 4.869 4.740 0.012 0.000 0.198 277 N C 0.673 176.173 175.510 -0.017 0.000 1.117 277 N CA 0.093 53.124 53.050 -0.032 0.000 0.845 277 N CB 0.459 38.930 38.487 -0.027 0.000 0.980 277 N HN 0.353 nan 8.380 nan 0.000 0.486 278 I N -1.596 118.961 120.570 -0.023 0.000 2.569 278 I HA 0.560 4.738 4.170 0.012 0.000 0.296 278 I C -0.213 175.936 176.117 0.053 0.000 1.028 278 I CA -0.933 60.378 61.300 0.019 0.000 1.082 278 I CB 2.204 40.201 38.000 -0.006 0.000 1.264 278 I HN -0.214 nan 8.210 nan 0.000 0.429 279 S N 3.182 118.954 115.700 0.120 0.000 2.621 279 S HA 0.713 5.190 4.470 0.012 0.000 0.302 279 S C -0.223 174.551 174.600 0.290 0.000 1.093 279 S CA -0.476 57.797 58.200 0.123 0.000 1.017 279 S CB 1.181 64.463 63.200 0.136 0.000 1.077 279 S HN 0.795 nan 8.310 nan 0.000 0.517 280 F N -0.780 119.245 119.950 0.124 0.000 3.074 280 F HA -0.162 4.372 4.527 0.012 0.000 0.287 280 F C 0.358 176.262 175.800 0.172 0.000 0.932 280 F CA 0.940 59.010 58.000 0.116 0.000 0.995 280 F CB -2.312 36.720 39.000 0.053 0.000 0.966 280 F HN 0.935 nan 8.300 nan 0.000 0.721 281 H N 1.395 120.600 119.070 0.224 0.000 2.580 281 H HA 0.677 5.240 4.556 0.012 0.000 0.322 281 H C -0.088 175.398 175.328 0.263 0.000 1.082 281 H CA -0.445 55.736 56.048 0.221 0.000 1.383 281 H CB 0.608 30.495 29.762 0.208 0.000 1.450 281 H HN 0.246 nan 8.280 nan 0.000 0.505 282 I N 8.440 128.795 120.570 -0.359 0.000 2.390 282 I HA 0.258 4.435 4.170 0.012 0.000 0.283 282 I C -2.191 173.641 176.117 -0.475 0.000 1.016 282 I CA -2.191 58.983 61.300 -0.210 0.000 1.151 282 I CB 1.528 39.541 38.000 0.021 0.000 1.293 282 I HN 0.542 nan 8.210 nan 0.000 0.458 283 P HA 0.022 nan 4.420 nan 0.000 0.267 283 P C 0.488 177.750 177.300 -0.064 0.000 1.200 283 P CA -0.216 62.771 63.100 -0.188 0.000 0.772 283 P CB 0.746 32.400 31.700 -0.075 0.000 0.855 284 Q N 1.881 121.661 119.800 -0.034 0.000 2.061 284 Q HA -0.214 4.133 4.340 0.012 0.000 0.204 284 Q C 2.002 178.004 176.000 0.004 0.000 0.984 284 Q CA 2.465 58.263 55.803 -0.008 0.000 0.846 284 Q CB -0.802 27.936 28.738 0.001 0.000 0.902 284 Q HN 0.611 nan 8.270 nan 0.000 0.421 285 A N 0.205 123.027 122.820 0.003 0.000 1.877 285 A HA -0.149 4.178 4.320 0.012 0.000 0.216 285 A C 2.459 180.045 177.584 0.004 0.000 1.186 285 A CA 1.837 53.874 52.037 0.000 0.000 0.620 285 A CB -0.579 18.419 19.000 -0.004 0.000 0.822 285 A HN 0.330 nan 8.150 nan 0.000 0.443 286 S N -0.537 115.185 115.700 0.036 0.000 2.370 286 S HA -0.183 4.294 4.470 0.012 0.000 0.226 286 S C 2.025 176.725 174.600 0.167 0.000 1.033 286 S CA 1.700 59.950 58.200 0.083 0.000 1.011 286 S CB -0.265 63.067 63.200 0.219 0.000 0.852 286 S HN 0.691 nan 8.310 nan 0.000 0.457 287 K N 0.988 121.467 120.400 0.132 0.000 2.032 287 K HA -0.081 4.246 4.320 0.012 0.000 0.209 287 K C 1.960 178.602 176.600 0.070 0.000 1.048 287 K CA 1.449 57.803 56.287 0.113 0.000 0.927 287 K CB -0.285 32.242 32.500 0.045 0.000 0.712 287 K HN 0.310 nan 8.250 nan 0.000 0.441 288 I N 0.474 121.060 120.570 0.026 0.000 2.252 288 I HA -0.222 3.956 4.170 0.012 0.000 0.245 288 I C 2.651 178.757 176.117 -0.019 0.000 1.102 288 I CA 0.851 62.149 61.300 -0.002 0.000 1.385 288 I CB -0.189 37.804 38.000 -0.011 0.000 1.064 288 I HN 0.155 nan 8.210 nan 0.000 0.414 289 R N 1.110 121.583 120.500 -0.045 0.000 2.066 289 R HA -0.136 4.211 4.340 0.012 0.000 0.232 289 R C 2.062 178.268 176.300 -0.157 0.000 1.131 289 R CA 1.854 57.878 56.100 -0.128 0.000 0.955 289 R CB -0.909 29.278 30.300 -0.187 0.000 0.851 289 R HN 0.129 nan 8.270 nan 0.000 0.432 290 F N 1.629 121.548 119.950 -0.052 0.000 2.134 290 F HA -0.115 4.419 4.527 0.012 0.000 0.299 290 F C 2.133 177.878 175.800 -0.093 0.000 1.097 290 F CA 1.961 59.929 58.000 -0.052 0.000 1.264 290 F CB -0.513 38.482 39.000 -0.008 0.000 1.001 290 F HN 0.350 nan 8.300 nan 0.000 0.479 291 E N -0.099 120.155 120.200 0.089 0.000 2.482 291 E HA -0.105 4.252 4.350 0.012 0.000 0.196 291 E C 1.907 178.472 176.600 -0.058 0.000 1.047 291 E CA 0.889 57.276 56.400 -0.021 0.000 0.869 291 E CB -0.552 29.118 29.700 -0.050 0.000 0.836 291 E HN 0.369 nan 8.360 nan 0.000 0.520 292 S N 0.998 116.667 115.700 -0.052 0.000 2.465 292 S HA -0.133 4.344 4.470 0.012 0.000 0.241 292 S C 2.151 176.696 174.600 -0.092 0.000 1.000 292 S CA 0.764 58.921 58.200 -0.072 0.000 0.964 292 S CB -0.257 62.900 63.200 -0.072 0.000 0.763 292 S HN 0.430 nan 8.310 nan 0.000 0.512 293 A N 1.298 124.059 122.820 -0.098 0.000 2.024 293 A HA 0.023 4.350 4.320 0.012 0.000 0.220 293 A C 2.337 179.775 177.584 -0.243 0.000 1.164 293 A CA 1.693 53.629 52.037 -0.169 0.000 0.643 293 A CB -1.044 17.840 19.000 -0.194 0.000 0.806 293 A HN 0.511 nan 8.150 nan 0.000 0.451 294 V N -0.147 119.641 119.914 -0.209 0.000 2.261 294 V HA -0.281 3.847 4.120 0.012 0.000 0.246 294 V C 2.538 178.528 176.094 -0.173 0.000 1.047 294 V CA 2.332 64.502 62.300 -0.217 0.000 1.015 294 V CB -0.754 30.960 31.823 -0.182 0.000 0.642 294 V HN 0.815 nan 8.190 nan 0.000 0.446 295 E N 0.076 120.198 120.200 -0.129 0.000 2.051 295 E HA -0.225 4.133 4.350 0.012 0.000 0.192 295 E C 2.234 178.772 176.600 -0.103 0.000 0.991 295 E CA 1.545 57.883 56.400 -0.104 0.000 0.799 295 E CB -0.176 29.479 29.700 -0.076 0.000 0.748 295 E HN 0.556 nan 8.360 nan 0.000 0.449 296 L N 0.066 121.232 121.223 -0.095 0.000 2.046 296 L HA -0.076 4.271 4.340 0.012 0.000 0.208 296 L C 2.631 179.447 176.870 -0.090 0.000 1.077 296 L CA 1.215 56.013 54.840 -0.069 0.000 0.747 296 L CB -0.503 41.531 42.059 -0.041 0.000 0.896 296 L HN 0.318 nan 8.230 nan 0.000 0.432 297 G N -0.626 108.086 108.800 -0.147 0.000 2.403 297 G HA2 -0.298 3.669 3.960 0.012 0.000 0.216 297 G HA3 -0.298 3.669 3.960 0.012 0.000 0.216 297 G C 1.167 175.899 174.900 -0.280 0.000 1.154 297 G CA 0.896 45.883 45.100 -0.188 0.000 0.784 297 G HN 0.401 nan 8.290 nan 0.000 0.538 298 D N -0.058 120.201 120.400 -0.234 0.000 2.123 298 D HA -0.134 4.513 4.640 0.012 0.000 0.196 298 D C 2.285 178.461 176.300 -0.208 0.000 0.992 298 D CA 0.920 54.784 54.000 -0.227 0.000 0.833 298 D CB -0.172 40.529 40.800 -0.166 0.000 0.954 298 D HN 0.178 nan 8.370 nan 0.000 0.455 299 L N 0.551 121.684 121.223 -0.150 0.000 2.056 299 L HA -0.076 4.271 4.340 0.012 0.000 0.207 299 L C 2.011 178.818 176.870 -0.105 0.000 1.078 299 L CA 1.652 56.431 54.840 -0.103 0.000 0.749 299 L CB -0.559 41.465 42.059 -0.059 0.000 0.901 299 L HN -0.016 nan 8.230 nan 0.000 0.433 300 E N -0.118 120.010 120.200 -0.120 0.000 2.077 300 E HA -0.292 4.065 4.350 0.012 0.000 0.193 300 E C 2.082 178.519 176.600 -0.272 0.000 0.989 300 E CA 1.516 57.874 56.400 -0.069 0.000 0.800 300 E CB -0.195 29.552 29.700 0.078 0.000 0.746 300 E HN 0.690 nan 8.360 nan 0.000 0.452 301 E N 0.531 120.276 120.200 -0.759 0.000 2.110 301 E HA -0.152 4.205 4.350 0.012 0.000 0.193 301 E C 1.974 178.402 176.600 -0.286 0.000 0.988 301 E CA 0.993 56.786 56.400 -1.013 0.000 0.804 301 E CB -0.003 28.929 29.700 -1.279 0.000 0.745 301 E HN 0.179 nan 8.360 nan 0.000 0.458 302 A N 1.322 124.024 122.820 -0.196 0.000 1.902 302 A HA -0.217 4.110 4.320 0.012 0.000 0.217 302 A C 2.018 179.600 177.584 -0.004 0.000 1.181 302 A CA 1.732 53.723 52.037 -0.077 0.000 0.623 302 A CB -0.368 18.583 19.000 -0.080 0.000 0.818 302 A HN 0.162 nan 8.150 nan 0.000 0.443 303 K N -1.913 118.501 120.400 0.022 0.000 2.057 303 K HA -0.216 4.111 4.320 0.012 0.000 0.207 303 K C 1.826 178.507 176.600 0.136 0.000 1.049 303 K CA 1.627 57.958 56.287 0.072 0.000 0.931 303 K CB -0.284 32.273 32.500 0.094 0.000 0.714 303 K HN 0.716 nan 8.250 nan 0.000 0.440 304 W N 2.487 123.817 121.300 0.050 0.000 2.355 304 W HA -0.154 4.513 4.660 0.012 0.000 0.309 304 W C 1.637 178.213 176.519 0.095 0.000 1.206 304 W CA 1.435 58.869 57.345 0.148 0.000 1.284 304 W CB 0.078 29.760 29.460 0.371 0.000 1.145 304 W HN -0.119 nan 8.180 nan 0.000 0.502 305 K N -0.136 120.342 120.400 0.130 0.000 2.103 305 K HA -0.201 4.126 4.320 0.012 0.000 0.207 305 K C 1.505 178.017 176.600 -0.146 0.000 1.048 305 K CA 1.723 57.974 56.287 -0.059 0.000 0.930 305 K CB -0.457 32.074 32.500 0.052 0.000 0.716 305 K HN 0.138 nan 8.250 nan 0.000 0.444 306 D N 0.898 121.247 120.400 -0.085 0.000 2.117 306 D HA -0.126 4.521 4.640 0.012 0.000 0.197 306 D C 1.703 177.928 176.300 -0.126 0.000 0.987 306 D CA 1.206 55.156 54.000 -0.083 0.000 0.829 306 D CB -0.005 40.772 40.800 -0.039 0.000 0.961 306 D HN 0.190 nan 8.370 nan 0.000 0.460 307 K N 0.093 120.391 120.400 -0.170 0.000 2.057 307 K HA -0.112 4.216 4.320 0.012 0.000 0.207 307 K C 2.064 178.492 176.600 -0.287 0.000 1.049 307 K CA 0.368 56.536 56.287 -0.197 0.000 0.931 307 K CB -0.181 32.208 32.500 -0.184 0.000 0.714 307 K HN 0.036 nan 8.250 nan 0.000 0.440 308 L N 1.931 122.865 121.223 -0.481 0.000 2.046 308 L HA -0.191 4.157 4.340 0.012 0.000 0.208 308 L C 2.183 178.916 176.870 -0.229 0.000 1.077 308 L CA 1.888 56.460 54.840 -0.446 0.000 0.747 308 L CB -0.480 41.195 42.059 -0.640 0.000 0.896 308 L HN 0.083 nan 8.230 nan 0.000 0.432 309 E N 0.046 120.138 120.200 -0.180 0.000 2.118 309 E HA -0.248 4.110 4.350 0.012 0.000 0.195 309 E C 2.051 178.601 176.600 -0.084 0.000 0.992 309 E CA 1.601 57.938 56.400 -0.106 0.000 0.804 309 E CB -0.118 29.534 29.700 -0.081 0.000 0.741 309 E HN 0.489 nan 8.360 nan 0.000 0.458 310 K N -0.250 120.097 120.400 -0.089 0.000 2.459 310 K HA 0.096 4.424 4.320 0.012 0.000 0.193 310 K C 0.511 177.075 176.600 -0.060 0.000 1.030 310 K CA 0.124 56.373 56.287 -0.064 0.000 1.026 310 K CB 0.240 32.707 32.500 -0.055 0.000 0.809 310 K HN -0.061 nan 8.250 nan 0.000 0.504 311 S N -0.011 115.642 115.700 -0.078 0.000 2.584 311 S HA 0.270 4.747 4.470 0.012 0.000 0.273 311 S C 0.974 175.549 174.600 -0.041 0.000 1.311 311 S CA -0.462 57.700 58.200 -0.062 0.000 1.034 311 S CB 1.324 64.473 63.200 -0.085 0.000 0.939 311 S HN 0.297 nan 8.310 nan 0.000 0.513 312 A N 4.181 126.986 122.820 -0.025 0.000 2.239 312 A HA 0.101 4.429 4.320 0.012 0.000 0.209 312 A C 1.514 179.092 177.584 -0.011 0.000 1.171 312 A CA 0.774 52.802 52.037 -0.016 0.000 0.768 312 A CB -0.145 18.850 19.000 -0.009 0.000 0.790 312 A HN 0.683 nan 8.150 nan 0.000 0.478 313 K N -0.279 120.114 120.400 -0.013 0.000 2.373 313 K HA 0.178 4.505 4.320 0.012 0.000 0.202 313 K C 1.125 177.725 176.600 0.000 0.000 1.025 313 K CA 0.004 56.292 56.287 0.002 0.000 1.115 313 K CB 0.229 32.738 32.500 0.015 0.000 0.858 313 K HN 0.465 nan 8.250 nan 0.000 0.525 314 K N 1.533 121.923 120.400 -0.017 0.000 2.032 314 K HA -0.149 4.178 4.320 0.012 0.000 0.209 314 K C 1.533 178.133 176.600 -0.001 0.000 1.048 314 K CA 1.493 57.769 56.287 -0.019 0.000 0.927 314 K CB 0.216 32.697 32.500 -0.032 0.000 0.712 314 K HN 0.203 nan 8.250 nan 0.000 0.441 315 E N 0.470 120.669 120.200 -0.002 0.000 2.072 315 E HA -0.200 4.157 4.350 0.012 0.000 0.191 315 E C 2.028 178.633 176.600 0.009 0.000 0.985 315 E CA 0.810 57.211 56.400 0.002 0.000 0.801 315 E CB -0.082 29.617 29.700 -0.002 0.000 0.750 315 E HN 0.135 nan 8.360 nan 0.000 0.452 316 L N 1.300 122.530 121.223 0.013 0.000 2.012 316 L HA -0.176 4.171 4.340 0.012 0.000 0.210 316 L C 2.244 179.130 176.870 0.027 0.000 1.073 316 L CA 1.403 56.256 54.840 0.021 0.000 0.748 316 L CB -0.585 41.490 42.059 0.027 0.000 0.891 316 L HN 0.118 nan 8.230 nan 0.000 0.431 317 L N -0.380 120.864 121.223 0.035 0.000 2.046 317 L HA -0.155 4.193 4.340 0.012 0.000 0.208 317 L C 2.437 179.333 176.870 0.042 0.000 1.077 317 L CA 1.710 56.581 54.840 0.052 0.000 0.747 317 L CB -0.958 41.150 42.059 0.082 0.000 0.896 317 L HN 0.332 nan 8.230 nan 0.000 0.432 318 E N -0.055 120.164 120.200 0.031 0.000 2.110 318 E HA -0.209 4.148 4.350 0.012 0.000 0.193 318 E C 2.336 178.943 176.600 0.011 0.000 0.988 318 E CA 1.115 57.529 56.400 0.023 0.000 0.804 318 E CB -0.140 29.570 29.700 0.015 0.000 0.745 318 E HN 0.570 nan 8.360 nan 0.000 0.458 319 R N 0.161 120.665 120.500 0.007 0.000 2.075 319 R HA -0.016 4.332 4.340 0.012 0.000 0.232 319 R C 2.660 178.961 176.300 0.001 0.000 1.126 319 R CA 0.712 56.809 56.100 -0.004 0.000 0.963 319 R CB -0.350 29.950 30.300 -0.001 0.000 0.858 319 R HN 0.156 nan 8.270 nan 0.000 0.435 320 L N 0.637 121.870 121.223 0.015 0.000 2.083 320 L HA -0.183 4.164 4.340 0.012 0.000 0.209 320 L C 2.212 179.095 176.870 0.022 0.000 1.083 320 L CA 1.216 56.067 54.840 0.018 0.000 0.752 320 L CB -0.326 41.727 42.059 -0.008 0.000 0.899 320 L HN 0.195 nan 8.230 nan 0.000 0.433 321 L N -0.893 120.345 121.223 0.024 0.000 2.395 321 L HA -0.020 4.327 4.340 0.012 0.000 0.218 321 L C 0.425 177.308 176.870 0.022 0.000 1.130 321 L CA 0.544 55.405 54.840 0.035 0.000 0.826 321 L CB -0.088 41.999 42.059 0.047 0.000 0.941 321 L HN 0.319 nan 8.230 nan 0.000 0.451 322 N N 0.279 118.973 118.700 -0.009 0.000 2.733 322 N HA 0.242 4.989 4.740 0.012 0.000 0.271 322 N C -2.527 172.909 175.510 -0.123 0.000 1.720 322 N CA -0.755 52.267 53.050 -0.048 0.000 0.803 322 N CB 1.045 39.514 38.487 -0.029 0.000 1.208 322 N HN -0.010 nan 8.380 nan 0.000 0.498 323 P HA 0.092 nan 4.420 nan 0.000 0.271 323 P C -0.486 176.467 177.300 -0.579 0.000 1.216 323 P CA 0.079 62.961 63.100 -0.364 0.000 0.776 323 P CB 1.248 32.696 31.700 -0.419 0.000 0.881 324 D N 2.055 122.218 120.400 -0.396 0.000 2.467 324 D HA 0.175 4.822 4.640 0.012 0.000 0.220 324 D C 0.230 176.414 176.300 -0.193 0.000 1.103 324 D CA -0.539 53.295 54.000 -0.276 0.000 0.886 324 D CB -0.120 40.606 40.800 -0.122 0.000 1.025 324 D HN 0.043 nan 8.370 nan 0.000 0.514 325 F N 1.611 121.589 119.950 0.048 0.000 2.456 325 F HA 0.028 4.562 4.527 0.012 0.000 0.298 325 F C 2.013 177.846 175.800 0.055 0.000 1.104 325 F CA 0.095 58.126 58.000 0.050 0.000 1.435 325 F CB -0.393 38.669 39.000 0.103 0.000 1.078 325 F HN 0.311 nan 8.300 nan 0.000 0.546 326 N N 0.659 119.480 118.700 0.201 0.000 2.309 326 N HA -0.154 4.593 4.740 0.012 0.000 0.182 326 N C 1.826 177.387 175.510 0.085 0.000 1.018 326 N CA 0.792 53.926 53.050 0.140 0.000 0.876 326 N CB -0.312 38.233 38.487 0.097 0.000 0.972 326 N HN 0.318 nan 8.380 nan 0.000 0.434 327 K N 0.765 121.191 120.400 0.043 0.000 2.288 327 K HA 0.079 4.406 4.320 0.012 0.000 0.201 327 K C 0.293 176.878 176.600 -0.025 0.000 1.048 327 K CA 0.148 56.437 56.287 0.003 0.000 0.956 327 K CB 0.113 32.600 32.500 -0.021 0.000 0.746 327 K HN 0.061 nan 8.250 nan 0.000 0.461 328 I N 2.207 122.753 120.570 -0.040 0.000 2.598 328 I HA -0.039 4.138 4.170 0.012 0.000 0.284 328 I C -0.039 175.968 176.117 -0.182 0.000 1.140 328 I CA -0.397 60.790 61.300 -0.189 0.000 1.420 328 I CB 1.019 38.799 38.000 -0.366 0.000 1.387 328 I HN 0.130 nan 8.210 nan 0.000 0.553 329 A N 7.776 130.475 122.820 -0.202 0.000 2.294 329 A HA 0.458 4.785 4.320 0.012 0.000 0.316 329 A C -0.680 176.786 177.584 -0.197 0.000 1.359 329 A CA -0.323 51.643 52.037 -0.120 0.000 0.956 329 A CB -0.114 18.830 19.000 -0.094 0.000 1.155 329 A HN 0.589 nan 8.150 nan 0.000 0.544 330 Y N 2.393 122.620 120.300 -0.121 0.000 2.298 330 Y HA 0.377 4.934 4.550 0.012 0.000 0.329 330 Y C -1.491 174.282 175.900 -0.211 0.000 1.293 330 Y CA -1.451 56.556 58.100 -0.155 0.000 1.388 330 Y CB 0.196 38.587 38.460 -0.115 0.000 1.309 330 Y HN 0.521 nan 8.280 nan 0.000 0.544 331 P HA -0.003 nan 4.420 nan 0.000 0.269 331 P C -1.095 175.879 177.300 -0.543 0.000 1.209 331 P CA -0.195 62.631 63.100 -0.458 0.000 0.776 331 P CB 0.511 31.717 31.700 -0.823 0.000 0.876 332 D N 1.393 121.505 120.400 -0.480 0.000 2.396 332 D HA 0.165 4.813 4.640 0.012 0.000 0.225 332 D C -0.545 175.562 176.300 -0.322 0.000 1.121 332 D CA -0.317 53.511 54.000 -0.287 0.000 0.853 332 D CB -0.176 40.539 40.800 -0.142 0.000 1.043 332 D HN 0.120 nan 8.370 nan 0.000 0.500 333 F N 2.009 121.967 119.950 0.012 0.000 2.641 333 F HA 0.197 4.732 4.527 0.012 0.000 0.302 333 F C 1.376 177.189 175.800 0.022 0.000 1.098 333 F CA -0.487 57.522 58.000 0.016 0.000 1.318 333 F CB -0.158 38.853 39.000 0.019 0.000 1.035 333 F HN 0.171 nan 8.300 nan 0.000 0.551 334 K N 0.721 121.209 120.400 0.148 0.000 2.472 334 K HA 0.233 4.561 4.320 0.012 0.000 0.280 334 K C 1.347 178.009 176.600 0.104 0.000 1.028 334 K CA 1.068 57.422 56.287 0.111 0.000 1.045 334 K CB 0.005 32.544 32.500 0.065 0.000 0.902 334 K HN 0.466 nan 8.250 nan 0.000 0.478 335 G N 3.381 112.247 108.800 0.109 0.000 2.168 335 G HA2 -0.300 3.667 3.960 0.012 0.000 0.263 335 G HA3 -0.300 3.667 3.960 0.012 0.000 0.263 335 G C -0.425 174.522 174.900 0.078 0.000 0.977 335 G CA 0.439 45.593 45.100 0.090 0.000 0.659 335 G HN 0.615 nan 8.290 nan 0.000 0.533 336 K N 1.115 121.577 120.400 0.104 0.000 2.240 336 K HA 0.376 4.703 4.320 0.012 0.000 0.271 336 K C -0.954 175.680 176.600 0.057 0.000 1.018 336 K CA -0.839 55.504 56.287 0.094 0.000 0.874 336 K CB 1.086 33.689 32.500 0.172 0.000 1.098 336 K HN 0.068 nan 8.250 nan 0.000 0.458 337 D N 3.845 124.253 120.400 0.014 0.000 2.348 337 D HA 0.307 4.955 4.640 0.012 0.000 0.253 337 D C -0.290 175.997 176.300 -0.021 0.000 1.161 337 D CA -0.080 53.906 54.000 -0.023 0.000 0.876 337 D CB 0.645 41.408 40.800 -0.061 0.000 1.160 337 D HN 0.237 nan 8.370 nan 0.000 0.459 338 L N -0.999 120.200 121.223 -0.041 0.000 2.710 338 L HA 0.747 5.094 4.340 0.012 0.000 0.260 338 L C -0.677 176.155 176.870 -0.063 0.000 0.993 338 L CA -1.525 53.282 54.840 -0.054 0.000 0.877 338 L CB 0.817 42.822 42.059 -0.090 0.000 1.461 338 L HN 0.204 nan 8.230 nan 0.000 0.413 339 A N -0.158 122.630 122.820 -0.053 0.000 2.425 339 A HA 0.517 4.844 4.320 0.012 0.000 0.249 339 A C 1.205 178.746 177.584 -0.071 0.000 1.084 339 A CA 0.360 52.368 52.037 -0.049 0.000 0.781 339 A CB 0.087 19.065 19.000 -0.037 0.000 1.019 339 A HN 1.141 nan 8.150 nan 0.000 0.490 340 T N -0.078 114.442 114.554 -0.057 0.000 3.035 340 T HA -0.158 4.199 4.350 0.012 0.000 0.268 340 T C 1.544 176.222 174.700 -0.037 0.000 1.109 340 T CA 1.121 63.180 62.100 -0.068 0.000 1.119 340 T CB -0.370 68.479 68.868 -0.031 0.000 0.900 340 T HN 0.839 nan 8.240 nan 0.000 0.503 341 R N 1.524 122.022 120.500 -0.003 0.000 2.120 341 R HA -0.060 4.287 4.340 0.012 0.000 0.234 341 R C 1.447 177.756 176.300 0.016 0.000 1.123 341 R CA 1.656 57.780 56.100 0.040 0.000 0.975 341 R CB -0.527 29.830 30.300 0.095 0.000 0.866 341 R HN 0.270 nan 8.270 nan 0.000 0.446 342 D N 1.183 121.574 120.400 -0.015 0.000 2.162 342 D HA -0.084 4.564 4.640 0.012 0.000 0.205 342 D C 2.221 178.484 176.300 -0.061 0.000 0.964 342 D CA 1.788 55.782 54.000 -0.011 0.000 0.847 342 D CB -0.125 40.672 40.800 -0.005 0.000 0.988 342 D HN 0.383 nan 8.370 nan 0.000 0.480 343 S N 0.903 116.475 115.700 -0.213 0.000 2.370 343 S HA -0.201 4.276 4.470 0.012 0.000 0.226 343 S C 1.732 176.241 174.600 -0.151 0.000 1.033 343 S CA 1.134 59.061 58.200 -0.456 0.000 1.011 343 S CB -0.511 62.146 63.200 -0.904 0.000 0.852 343 S HN 0.222 nan 8.310 nan 0.000 0.457 344 N N 2.050 120.695 118.700 -0.092 0.000 2.188 344 N HA -0.068 4.679 4.740 0.012 0.000 0.184 344 N C 2.000 177.463 175.510 -0.078 0.000 1.018 344 N CA 1.261 54.288 53.050 -0.038 0.000 0.858 344 N CB -0.718 37.765 38.487 -0.006 0.000 0.989 344 N HN 0.548 nan 8.380 nan 0.000 0.426 345 G N 1.296 110.069 108.800 -0.045 0.000 2.440 345 G HA2 -0.218 3.749 3.960 0.012 0.000 0.218 345 G HA3 -0.218 3.749 3.960 0.012 0.000 0.218 345 G C 1.438 176.317 174.900 -0.036 0.000 1.154 345 G CA 0.463 45.533 45.100 -0.049 0.000 0.767 345 G HN 0.394 nan 8.290 nan 0.000 0.552 346 E N 0.258 120.482 120.200 0.039 0.000 2.085 346 E HA -0.108 4.250 4.350 0.012 0.000 0.194 346 E C 2.584 179.172 176.600 -0.020 0.000 0.994 346 E CA 0.793 57.241 56.400 0.079 0.000 0.801 346 E CB -0.154 29.698 29.700 0.254 0.000 0.743 346 E HN 0.528 nan 8.360 nan 0.000 0.453 347 I N 1.036 121.572 120.570 -0.055 0.000 2.252 347 I HA -0.269 3.909 4.170 0.012 0.000 0.245 347 I C 2.501 178.314 176.117 -0.507 0.000 1.102 347 I CA 0.797 61.952 61.300 -0.242 0.000 1.385 347 I CB -0.267 37.572 38.000 -0.269 0.000 1.064 347 I HN 0.044 nan 8.210 nan 0.000 0.414 348 L N 0.443 121.377 121.223 -0.483 0.000 2.043 348 L HA -0.271 4.077 4.340 0.012 0.000 0.212 348 L C 2.353 179.040 176.870 -0.306 0.000 1.075 348 L CA 1.481 56.032 54.840 -0.483 0.000 0.752 348 L CB -0.822 40.980 42.059 -0.428 0.000 0.891 348 L HN 0.376 nan 8.230 nan 0.000 0.432 349 N N -0.315 118.264 118.700 -0.201 0.000 2.120 349 N HA -0.141 4.606 4.740 0.012 0.000 0.188 349 N C 1.869 177.273 175.510 -0.176 0.000 1.024 349 N CA 1.381 54.361 53.050 -0.117 0.000 0.852 349 N CB -0.041 38.431 38.487 -0.026 0.000 1.003 349 N HN 0.146 nan 8.380 nan 0.000 0.424 350 V N 2.123 121.884 119.914 -0.254 0.000 2.343 350 V HA -0.182 3.945 4.120 0.012 0.000 0.247 350 V C 2.423 178.261 176.094 -0.425 0.000 1.051 350 V CA 1.213 63.325 62.300 -0.314 0.000 1.036 350 V CB -0.431 31.176 31.823 -0.360 0.000 0.654 350 V HN 0.238 nan 8.190 nan 0.000 0.451 351 L N 0.050 120.898 121.223 -0.626 0.000 2.056 351 L HA -0.111 4.236 4.340 0.012 0.000 0.207 351 L C 2.745 179.262 176.870 -0.588 0.000 1.078 351 L CA 1.499 55.826 54.840 -0.855 0.000 0.749 351 L CB -0.851 40.220 42.059 -1.646 0.000 0.901 351 L HN 0.346 nan 8.230 nan 0.000 0.433 352 A N 0.220 122.846 122.820 -0.323 0.000 1.933 352 A HA -0.216 4.111 4.320 0.012 0.000 0.218 352 A C 2.326 179.913 177.584 0.004 0.000 1.175 352 A CA 1.689 53.771 52.037 0.074 0.000 0.628 352 A CB -0.313 18.785 19.000 0.162 0.000 0.814 352 A HN 0.333 nan 8.150 nan 0.000 0.444 353 K N -0.422 119.931 120.400 -0.079 0.000 2.103 353 K HA -0.024 4.303 4.320 0.012 0.000 0.204 353 K C 1.585 178.143 176.600 -0.070 0.000 1.052 353 K CA 1.203 57.453 56.287 -0.061 0.000 0.945 353 K CB -0.138 32.313 32.500 -0.081 0.000 0.722 353 K HN 0.443 nan 8.250 nan 0.000 0.443 354 N N 0.321 118.945 118.700 -0.126 0.000 2.416 354 N HA 0.000 4.747 4.740 0.012 0.000 0.177 354 N C -0.078 175.402 175.510 -0.051 0.000 1.036 354 N CA 0.676 53.660 53.050 -0.112 0.000 0.901 354 N CB 0.402 38.782 38.487 -0.179 0.000 0.976 354 N HN 0.072 nan 8.380 nan 0.000 0.444 355 L N 1.168 122.381 121.223 -0.015 0.000 2.345 355 L HA 0.258 4.605 4.340 0.012 0.000 0.274 355 L C 0.859 177.823 176.870 0.155 0.000 0.999 355 L CA -0.291 54.600 54.840 0.084 0.000 0.849 355 L CB 2.049 44.193 42.059 0.142 0.000 1.220 355 L HN -0.133 nan 8.230 nan 0.000 0.422 356 E N 2.335 122.609 120.200 0.123 0.000 2.209 356 E HA -0.141 4.216 4.350 0.012 0.000 0.196 356 E C 1.728 178.458 176.600 0.218 0.000 0.993 356 E CA 1.251 57.734 56.400 0.138 0.000 0.819 356 E CB 0.204 29.960 29.700 0.092 0.000 0.745 356 E HN 0.877 nan 8.360 nan 0.000 0.477 357 G N -0.111 108.846 108.800 0.261 0.000 3.088 357 G HA2 -0.017 3.951 3.960 0.012 0.000 0.217 357 G HA3 -0.017 3.951 3.960 0.012 0.000 0.217 357 G C -0.197 174.995 174.900 0.487 0.000 1.159 357 G CA -0.552 44.772 45.100 0.374 0.000 0.760 357 G HN 0.076 nan 8.290 nan 0.000 0.550 358 F N 2.420 122.524 119.950 0.257 0.000 2.424 358 F HA 0.653 5.188 4.527 0.013 0.000 0.356 358 F C 0.044 175.949 175.800 0.176 0.000 1.110 358 F CA -1.066 57.078 58.000 0.240 0.000 1.161 358 F CB 0.591 39.696 39.000 0.175 0.000 1.115 358 F HN 0.063 nan 8.300 nan 0.000 0.507 359 L N 3.978 125.040 121.223 -0.269 0.000 2.801 359 L HA 1.089 5.436 4.340 0.012 0.000 0.264 359 L C -0.716 175.661 176.870 -0.822 0.000 1.086 359 L CA -0.617 54.036 54.840 -0.310 0.000 0.920 359 L CB 1.815 43.737 42.059 -0.229 0.000 1.529 359 L HN 0.779 nan 8.230 nan 0.000 0.399 360 G N -1.419 106.775 108.800 -1.010 0.000 2.351 360 G HA2 0.587 4.554 3.960 0.012 0.000 0.279 360 G HA3 0.587 4.554 3.960 0.012 0.000 0.279 360 G C -0.818 173.433 174.900 -1.083 0.000 1.297 360 G CA 0.175 44.359 45.100 -1.526 0.000 0.886 360 G HN 1.659 nan 8.290 nan 0.000 0.493 361 G N -1.561 106.792 108.800 -0.745 0.000 2.340 361 G HA2 0.704 4.671 3.960 0.012 0.000 0.299 361 G HA3 0.704 4.671 3.960 0.012 0.000 0.299 361 G C -1.042 173.974 174.900 0.193 0.000 1.291 361 G CA 0.968 45.997 45.100 -0.118 0.000 0.841 361 G HN 1.783 nan 8.290 nan 0.000 0.500 362 S N -1.509 114.320 115.700 0.215 0.000 2.648 362 S HA 0.710 5.187 4.470 0.012 0.000 0.305 362 S C 0.261 174.972 174.600 0.186 0.000 1.094 362 S CA 0.376 58.683 58.200 0.177 0.000 0.983 362 S CB 1.475 64.750 63.200 0.124 0.000 1.101 362 S HN 1.903 nan 8.310 nan 0.000 0.514 363 A N 2.587 125.456 122.820 0.082 0.000 3.004 363 A HA 0.448 4.776 4.320 0.012 0.000 0.286 363 A C 0.490 178.070 177.584 -0.006 0.000 1.632 363 A CA 0.288 52.356 52.037 0.053 0.000 1.339 363 A CB -1.447 17.545 19.000 -0.012 0.000 1.136 363 A HN 1.118 nan 8.150 nan 0.000 0.577 364 D N -0.334 120.092 120.400 0.042 0.000 3.079 364 D HA -0.180 4.467 4.640 0.012 0.000 0.214 364 D C 0.121 176.407 176.300 -0.023 0.000 1.145 364 D CA 1.711 55.721 54.000 0.016 0.000 0.958 364 D CB -1.428 39.361 40.800 -0.018 0.000 1.117 364 D HN 0.501 nan 8.370 nan 0.000 0.416 365 L N -1.119 120.074 121.223 -0.049 0.000 3.110 365 L HA 0.454 4.801 4.340 0.012 0.000 0.266 365 L C 2.305 179.178 176.870 0.004 0.000 1.257 365 L CA 0.085 54.863 54.840 -0.103 0.000 1.038 365 L CB 0.377 42.216 42.059 -0.367 0.000 1.395 365 L HN 0.166 nan 8.230 nan 0.000 0.566 366 G N 1.952 110.788 108.800 0.060 0.000 2.574 366 G HA2 -0.230 3.737 3.960 0.012 0.000 0.220 366 G HA3 -0.230 3.737 3.960 0.012 0.000 0.220 366 G C -0.708 174.251 174.900 0.098 0.000 1.173 366 G CA 1.029 46.182 45.100 0.089 0.000 0.772 366 G HN 0.295 nan 8.290 nan 0.000 0.585 367 P HA -0.000 nan 4.420 nan 0.000 0.220 367 P C 2.032 179.424 177.300 0.154 0.000 1.148 367 P CA 1.636 64.809 63.100 0.122 0.000 0.803 367 P CB 0.046 31.812 31.700 0.110 0.000 0.782 368 S N -1.164 114.637 115.700 0.169 0.000 2.404 368 S HA 0.010 4.488 4.470 0.012 0.000 0.223 368 S C 1.700 176.509 174.600 0.348 0.000 1.040 368 S CA 0.480 58.848 58.200 0.281 0.000 0.957 368 S CB -0.764 62.623 63.200 0.312 0.000 0.826 368 S HN 0.016 nan 8.310 nan 0.000 0.491 369 N N 1.699 120.538 118.700 0.232 0.000 2.459 369 N HA 0.029 4.776 4.740 0.012 0.000 0.181 369 N C -0.213 175.403 175.510 0.178 0.000 1.046 369 N CA 0.537 53.732 53.050 0.241 0.000 0.904 369 N CB -0.131 38.459 38.487 0.170 0.000 0.964 369 N HN 0.227 nan 8.380 nan 0.000 0.444 370 K N -0.342 120.147 120.400 0.148 0.000 3.125 370 K HA -0.120 4.207 4.320 0.012 0.000 0.268 370 K C 0.539 177.163 176.600 0.039 0.000 1.078 370 K CA 0.976 57.325 56.287 0.103 0.000 0.775 370 K CB -2.784 29.778 32.500 0.104 0.000 1.253 370 K HN 0.529 nan 8.250 nan 0.000 0.486 371 T N -3.551 111.028 114.554 0.041 0.000 3.054 371 T HA 0.088 4.446 4.350 0.012 0.000 0.255 371 T C 0.582 175.285 174.700 0.005 0.000 1.035 371 T CA -0.149 61.960 62.100 0.015 0.000 0.941 371 T CB 0.517 69.476 68.868 0.153 0.000 1.026 371 T HN 0.330 nan 8.240 nan 0.000 0.533 372 E N 1.751 121.904 120.200 -0.078 0.000 2.415 372 E HA 0.138 4.496 4.350 0.012 0.000 0.263 372 E C -0.687 175.685 176.600 -0.380 0.000 0.995 372 E CA -0.255 56.028 56.400 -0.195 0.000 0.915 372 E CB 0.315 29.878 29.700 -0.228 0.000 0.951 372 E HN 0.470 nan 8.360 nan 0.000 0.449 373 L N 6.405 127.516 121.223 -0.187 0.000 2.288 373 L HA 0.202 4.550 4.340 0.012 0.000 0.283 373 L C 0.096 176.903 176.870 -0.104 0.000 1.072 373 L CA -0.751 54.017 54.840 -0.120 0.000 0.862 373 L CB 0.212 42.294 42.059 0.038 0.000 1.245 373 L HN 0.494 nan 8.230 nan 0.000 0.432 374 H N 2.850 121.942 119.070 0.038 0.000 2.929 374 H HA 0.190 4.753 4.556 0.012 0.000 0.317 374 H C 0.646 175.989 175.328 0.026 0.000 1.031 374 H CA 0.116 56.183 56.048 0.032 0.000 1.466 374 H CB 1.044 30.820 29.762 0.023 0.000 1.482 374 H HN 0.757 nan 8.280 nan 0.000 0.561 378 D N -0.136 120.305 120.400 0.067 0.000 2.175 378 D HA 0.462 5.109 4.640 0.012 0.000 0.248 378 D C -0.003 176.351 176.300 0.090 0.000 1.047 378 D CA -0.206 53.858 54.000 0.107 0.000 0.883 378 D CB 1.779 42.702 40.800 0.204 0.000 1.180 378 D HN 0.242 nan 8.370 nan 0.000 0.438 379 F N 1.744 121.648 119.950 -0.076 0.000 2.629 379 F HA -0.088 4.446 4.527 0.011 0.000 0.369 379 F C 1.262 177.068 175.800 0.011 0.000 1.125 379 F CA 0.360 58.305 58.000 -0.092 0.000 1.330 379 F CB 0.774 39.635 39.000 -0.231 0.000 1.071 379 F HN 0.106 nan 8.300 nan 0.000 0.595 380 V N 4.659 124.350 119.914 -0.371 0.000 3.052 380 V HA -0.079 4.049 4.120 0.012 0.000 0.254 380 V C 1.551 177.341 176.094 -0.507 0.000 1.100 380 V CA 1.548 63.180 62.300 -1.114 0.000 1.112 380 V CB -0.267 30.991 31.823 -0.941 0.000 0.738 380 V HN 0.863 nan 8.190 nan 0.000 0.469 381 E N 0.691 120.752 120.200 -0.233 0.000 2.150 381 E HA 0.080 4.438 4.350 0.012 0.000 0.193 381 E C 1.192 177.740 176.600 -0.087 0.000 0.985 381 E CA 1.120 57.444 56.400 -0.127 0.000 0.814 381 E CB -0.292 29.370 29.700 -0.065 0.000 0.752 381 E HN 0.692 nan 8.360 nan 0.000 0.466 382 G N -0.721 108.037 108.800 -0.071 0.000 2.971 382 G HA2 0.293 4.260 3.960 0.012 0.000 0.235 382 G HA3 0.293 4.260 3.960 0.012 0.000 0.235 382 G C 0.158 175.048 174.900 -0.018 0.000 1.351 382 G CA -0.483 44.603 45.100 -0.023 0.000 1.039 382 G HN -0.079 nan 8.290 nan 0.000 0.563 383 K N -0.466 119.933 120.400 -0.001 0.000 2.348 383 K HA 0.132 4.460 4.320 0.012 0.000 0.194 383 K C 0.090 176.631 176.600 -0.098 0.000 1.052 383 K CA -0.157 56.120 56.287 -0.017 0.000 1.004 383 K CB 0.253 32.770 32.500 0.029 0.000 0.873 383 K HN 0.241 nan 8.250 nan 0.000 0.523 384 N N 2.005 120.639 118.700 -0.111 0.000 2.442 384 N HA 0.138 4.886 4.740 0.012 0.000 0.265 384 N C -0.572 174.691 175.510 -0.410 0.000 1.138 384 N CA 0.380 53.278 53.050 -0.253 0.000 0.956 384 N CB 1.020 39.364 38.487 -0.238 0.000 1.067 384 N HN 0.055 nan 8.380 nan 0.000 0.474 385 I N 2.320 122.536 120.570 -0.591 0.000 2.336 385 I HA 0.131 4.309 4.170 0.012 0.000 0.292 385 I C -0.063 175.540 176.117 -0.857 0.000 0.991 385 I CA -0.683 60.126 61.300 -0.818 0.000 1.227 385 I CB 0.714 37.957 38.000 -1.262 0.000 1.366 385 I HN 0.327 nan 8.210 nan 0.000 0.466 386 H N 6.204 125.022 119.070 -0.420 0.000 2.818 386 H HA 0.219 4.782 4.556 0.012 0.000 0.269 386 H C 0.111 175.290 175.328 -0.248 0.000 1.277 386 H CA -0.253 55.661 56.048 -0.224 0.000 1.290 386 H CB 0.293 30.000 29.762 -0.093 0.000 1.479 386 H HN 0.515 nan 8.280 nan 0.000 0.507 387 F N 1.514 121.443 119.950 -0.036 0.000 2.604 387 F HA 0.064 4.598 4.527 0.012 0.000 0.298 387 F C 1.914 177.709 175.800 -0.008 0.000 1.131 387 F CA 0.861 58.828 58.000 -0.054 0.000 1.457 387 F CB -0.154 38.788 39.000 -0.096 0.000 1.095 387 F HN 0.793 nan 8.300 nan 0.000 0.574 388 G N 0.830 109.721 108.800 0.152 0.000 2.698 388 G HA2 -0.294 3.674 3.960 0.012 0.000 0.233 388 G HA3 -0.294 3.674 3.960 0.012 0.000 0.233 388 G C -0.441 174.493 174.900 0.057 0.000 1.352 388 G CA -0.503 44.648 45.100 0.084 0.000 0.879 388 G HN 0.060 nan 8.290 nan 0.000 0.567 389 I N 1.577 122.150 120.570 0.007 0.000 2.204 389 I HA 0.383 4.560 4.170 0.012 0.000 0.291 389 I C 1.201 177.301 176.117 -0.028 0.000 1.153 389 I CA 0.500 61.771 61.300 -0.050 0.000 1.546 389 I CB -0.005 37.938 38.000 -0.094 0.000 1.490 389 I HN 0.401 nan 8.210 nan 0.000 0.697 390 R N 2.804 123.312 120.500 0.013 0.000 2.627 390 R HA 0.201 4.548 4.340 0.012 0.000 0.251 390 R C 0.557 176.893 176.300 0.060 0.000 1.524 390 R CA -0.220 55.916 56.100 0.060 0.000 1.606 390 R CB 0.504 30.860 30.300 0.093 0.000 1.396 390 R HN 0.210 nan 8.270 nan 0.000 0.724 391 E N 0.106 120.338 120.200 0.054 0.000 2.085 391 E HA -0.218 4.139 4.350 0.012 0.000 0.194 391 E C 1.565 178.269 176.600 0.172 0.000 0.994 391 E CA 1.339 57.786 56.400 0.080 0.000 0.801 391 E CB -0.046 29.714 29.700 0.101 0.000 0.743 391 E HN 0.365 nan 8.360 nan 0.000 0.453 392 H N 0.443 119.580 119.070 0.111 0.000 2.293 392 H HA 0.156 4.719 4.556 0.012 0.000 0.300 392 H C 0.737 176.105 175.328 0.067 0.000 1.082 392 H CA 1.154 57.269 56.048 0.111 0.000 1.308 392 H CB -0.695 29.135 29.762 0.114 0.000 1.375 392 H HN 0.152 nan 8.280 nan 0.000 0.495 396 A N 0.561 123.449 122.820 0.114 0.000 1.929 396 A HA 0.141 4.468 4.320 0.012 0.000 0.216 396 A C 1.911 179.483 177.584 -0.020 0.000 1.176 396 A CA 1.576 53.648 52.037 0.059 0.000 0.628 396 A CB -0.662 18.331 19.000 -0.012 0.000 0.816 396 A HN 0.562 nan 8.150 nan 0.000 0.444 397 I N 0.069 120.616 120.570 -0.038 0.000 2.163 397 I HA -0.320 3.857 4.170 0.012 0.000 0.243 397 I C 2.228 178.350 176.117 0.008 0.000 1.085 397 I CA 1.768 63.054 61.300 -0.023 0.000 1.347 397 I CB -0.446 37.595 38.000 0.067 0.000 1.044 397 I HN 0.443 nan 8.210 nan 0.000 0.408 398 N N 0.396 119.011 118.700 -0.142 0.000 2.331 398 N HA -0.130 4.617 4.740 0.012 0.000 0.180 398 N C 1.525 176.814 175.510 -0.369 0.000 1.019 398 N CA 0.483 53.306 53.050 -0.378 0.000 0.881 398 N CB -0.017 37.974 38.487 -0.827 0.000 0.972 398 N HN 0.301 nan 8.380 nan 0.000 0.435 399 N N 1.364 119.995 118.700 -0.114 0.000 2.094 399 N HA -0.149 4.598 4.740 0.012 0.000 0.191 399 N C 1.598 177.076 175.510 -0.055 0.000 1.023 399 N CA 1.182 54.266 53.050 0.056 0.000 0.857 399 N CB -0.379 38.202 38.487 0.156 0.000 1.013 399 N HN 0.244 nan 8.380 nan 0.000 0.426 400 A N -0.007 122.677 122.820 -0.227 0.000 1.897 400 A HA 0.000 4.327 4.320 0.012 0.000 0.215 400 A C 2.035 179.486 177.584 -0.223 0.000 1.181 400 A CA 0.657 52.325 52.037 -0.614 0.000 0.620 400 A CB -0.824 17.518 19.000 -1.097 0.000 0.821 400 A HN 0.165 nan 8.150 nan 0.000 0.443 401 F N 0.470 120.301 119.950 -0.198 0.000 2.120 401 F HA -0.211 4.323 4.527 0.011 0.000 0.300 401 F C 2.744 178.644 175.800 0.167 0.000 1.095 401 F CA 1.384 59.370 58.000 -0.024 0.000 1.249 401 F CB -0.343 38.521 39.000 -0.226 0.000 0.995 401 F HN 0.264 nan 8.300 nan 0.000 0.480 402 A N -0.715 122.237 122.820 0.221 0.000 2.067 402 A HA -0.105 4.222 4.320 0.012 0.000 0.219 402 A C 2.202 179.938 177.584 0.253 0.000 1.158 402 A CA 1.053 53.214 52.037 0.207 0.000 0.661 402 A CB -0.315 18.740 19.000 0.092 0.000 0.801 402 A HN 0.155 nan 8.150 nan 0.000 0.452 403 R N -2.323 118.341 120.500 0.273 0.000 2.254 403 R HA 0.061 4.408 4.340 0.012 0.000 0.195 403 R C 1.645 178.193 176.300 0.413 0.000 0.957 403 R CA 0.551 56.852 56.100 0.336 0.000 1.024 403 R CB -0.653 29.890 30.300 0.405 0.000 0.952 403 R HN 0.720 nan 8.270 nan 0.000 0.484 404 Y N 0.493 121.014 120.300 0.368 0.000 2.181 404 Y HA -0.208 4.349 4.550 0.012 0.000 0.288 404 Y C 1.621 177.609 175.900 0.147 0.000 1.146 404 Y CA 2.273 60.569 58.100 0.326 0.000 1.164 404 Y CB 0.150 38.832 38.460 0.370 0.000 0.982 404 Y HN 0.261 nan 8.280 nan 0.000 0.515 405 G N -0.856 108.077 108.800 0.222 0.000 2.738 405 G HA2 -0.178 3.790 3.960 0.012 0.000 0.195 405 G HA3 -0.178 3.790 3.960 0.012 0.000 0.195 405 G C 0.661 175.592 174.900 0.053 0.000 1.001 405 G CA 0.130 45.271 45.100 0.069 0.000 0.759 405 G HN 0.601 nan 8.290 nan 0.000 0.494 406 I N -2.788 117.763 120.570 -0.031 0.000 4.310 406 I HA 0.640 4.817 4.170 0.012 0.000 0.328 406 I C -0.494 175.424 176.117 -0.331 0.000 1.406 406 I CA -0.621 60.536 61.300 -0.238 0.000 1.174 406 I CB 0.258 38.030 38.000 -0.381 0.000 1.279 406 I HN -0.108 nan 8.210 nan 0.000 0.471 407 F N 1.847 121.962 119.950 0.275 0.000 2.561 407 F HA 0.691 5.226 4.527 0.013 0.000 0.321 407 F C -0.387 175.565 175.800 0.253 0.000 1.065 407 F CA -1.104 57.055 58.000 0.265 0.000 0.934 407 F CB 2.089 41.282 39.000 0.322 0.000 1.215 407 F HN -0.183 nan 8.300 nan 0.000 0.471 408 L N 4.803 126.308 121.223 0.471 0.000 2.417 408 L HA 0.415 4.762 4.340 0.012 0.000 0.259 408 L C -2.658 174.289 176.870 0.129 0.000 1.023 408 L CA -1.614 53.481 54.840 0.425 0.000 0.901 408 L CB 1.489 43.964 42.059 0.692 0.000 1.227 408 L HN 0.281 nan 8.230 nan 0.000 0.454 409 P HA 0.427 nan 4.420 nan 0.000 0.290 409 P C -1.237 175.973 177.300 -0.150 0.000 1.283 409 P CA -0.536 62.371 63.100 -0.322 0.000 0.869 409 P CB 1.678 33.087 31.700 -0.484 0.000 1.100 410 F N -1.016 118.770 119.950 -0.272 0.000 2.546 410 F HA 0.771 5.306 4.527 0.013 0.000 0.320 410 F C -0.792 174.910 175.800 -0.162 0.000 1.076 410 F CA -1.073 56.875 58.000 -0.086 0.000 0.928 410 F CB 1.407 40.440 39.000 0.055 0.000 1.189 410 F HN 0.075 nan 8.300 nan 0.000 0.465 411 S N 1.743 117.453 115.700 0.016 0.000 2.473 411 S HA 0.887 5.364 4.470 0.012 0.000 0.307 411 S C -0.816 173.860 174.600 0.128 0.000 1.094 411 S CA -0.596 57.554 58.200 -0.083 0.000 1.070 411 S CB 1.470 64.576 63.200 -0.155 0.000 1.019 411 S HN 1.058 nan 8.310 nan 0.000 0.480 412 A N 2.097 125.017 122.820 0.166 0.000 2.393 412 A HA 0.920 5.247 4.320 0.012 0.000 0.306 412 A C -0.249 177.460 177.584 0.209 0.000 1.050 412 A CA -0.657 51.519 52.037 0.232 0.000 0.724 412 A CB 1.995 21.160 19.000 0.276 0.000 1.248 412 A HN 0.680 nan 8.150 nan 0.000 0.424 413 T N 0.276 115.015 114.554 0.309 0.000 2.661 413 T HA 0.596 4.954 4.350 0.012 0.000 0.305 413 T C -1.404 173.495 174.700 0.332 0.000 1.441 413 T CA -0.437 61.785 62.100 0.204 0.000 0.999 413 T CB 0.178 69.171 68.868 0.209 0.000 1.650 413 T HN 0.446 nan 8.240 nan 0.000 0.489 414 F N 2.330 122.409 119.950 0.216 0.000 2.518 414 F HA 0.353 4.888 4.527 0.013 0.000 0.359 414 F C 1.319 177.188 175.800 0.115 0.000 1.118 414 F CA -1.157 56.914 58.000 0.119 0.000 1.287 414 F CB -0.061 38.886 39.000 -0.089 0.000 1.132 414 F HN 0.568 nan 8.300 nan 0.000 0.587 415 F N 2.338 122.374 119.950 0.143 0.000 2.161 415 F HA -0.203 4.331 4.527 0.012 0.000 0.300 415 F C 2.057 177.691 175.800 -0.277 0.000 1.089 415 F CA 1.105 59.018 58.000 -0.146 0.000 1.282 415 F CB -0.607 38.367 39.000 -0.043 0.000 1.010 415 F HN 0.365 nan 8.300 nan 0.000 0.485 416 I N -0.212 120.185 120.570 -0.287 0.000 2.264 416 I HA -0.284 3.893 4.170 0.012 0.000 0.248 416 I C 1.584 177.442 176.117 -0.432 0.000 1.111 416 I CA 1.658 62.633 61.300 -0.543 0.000 1.382 416 I CB -0.887 36.662 38.000 -0.753 0.000 1.060 416 I HN -0.009 nan 8.210 nan 0.000 0.418 417 F N 0.395 120.329 119.950 -0.027 0.000 2.773 417 F HA 0.139 4.674 4.527 0.014 0.000 0.304 417 F C 2.573 178.374 175.800 0.002 0.000 1.129 417 F CA 0.485 58.468 58.000 -0.028 0.000 1.378 417 F CB -1.704 37.188 39.000 -0.179 0.000 1.095 417 F HN 0.163 nan 8.300 nan 0.000 0.565 418 S N -0.115 115.559 115.700 -0.042 0.000 2.400 418 S HA -0.237 4.241 4.470 0.012 0.000 0.232 418 S C 1.689 176.322 174.600 0.054 0.000 1.025 418 S CA 1.362 59.469 58.200 -0.155 0.000 0.993 418 S CB -0.526 62.188 63.200 -0.810 0.000 0.808 418 S HN 0.535 nan 8.310 nan 0.000 0.478 419 E N 0.026 120.256 120.200 0.050 0.000 2.204 419 E HA -0.139 4.219 4.350 0.012 0.000 0.195 419 E C 1.523 178.139 176.600 0.026 0.000 0.990 419 E CA 1.255 57.663 56.400 0.014 0.000 0.821 419 E CB -0.326 29.370 29.700 -0.007 0.000 0.750 419 E HN 0.708 nan 8.360 nan 0.000 0.477 420 Y N 0.202 120.482 120.300 -0.033 0.000 2.439 420 Y HA -0.096 4.461 4.550 0.011 0.000 0.292 420 Y C 1.896 177.670 175.900 -0.209 0.000 1.130 420 Y CA 0.766 58.814 58.100 -0.087 0.000 1.254 420 Y CB 0.123 38.573 38.460 -0.016 0.000 1.000 420 Y HN 0.100 nan 8.280 nan 0.000 0.554 421 L N -2.908 118.350 121.223 0.057 0.000 2.858 421 L HA 0.416 4.764 4.340 0.012 0.000 0.251 421 L C 1.471 178.356 176.870 0.025 0.000 1.149 421 L CA 0.105 54.979 54.840 0.058 0.000 0.955 421 L CB -0.466 41.773 42.059 0.300 0.000 1.289 421 L HN -0.283 nan 8.230 nan 0.000 0.542 422 K N 1.764 122.124 120.400 -0.067 0.000 2.160 422 K HA -0.043 4.284 4.320 0.012 0.000 0.206 422 K C -0.675 175.839 176.600 -0.144 0.000 1.047 422 K CA 1.905 58.105 56.287 -0.145 0.000 0.930 422 K CB -1.404 30.939 32.500 -0.261 0.000 0.720 422 K HN 0.297 nan 8.250 nan 0.000 0.450 423 P HA -0.055 nan 4.420 nan 0.000 0.217 423 P C 0.765 178.136 177.300 0.119 0.000 1.150 423 P CA 1.727 64.831 63.100 0.007 0.000 0.832 423 P CB -0.066 31.683 31.700 0.082 0.000 0.787 424 A N -0.036 122.928 122.820 0.240 0.000 1.930 424 A HA 0.064 4.391 4.320 0.012 0.000 0.215 424 A C 2.285 180.007 177.584 0.229 0.000 1.176 424 A CA 1.522 53.719 52.037 0.266 0.000 0.632 424 A CB -1.471 17.743 19.000 0.357 0.000 0.819 424 A HN 0.160 nan 8.150 nan 0.000 0.445 425 A N -0.056 122.844 122.820 0.133 0.000 1.940 425 A HA -0.195 4.133 4.320 0.012 0.000 0.219 425 A C 2.226 179.782 177.584 -0.046 0.000 1.176 425 A CA 1.745 53.745 52.037 -0.060 0.000 0.631 425 A CB -0.496 18.254 19.000 -0.416 0.000 0.814 425 A HN 0.530 nan 8.150 nan 0.000 0.446 426 R N -0.495 119.955 120.500 -0.084 0.000 2.096 426 R HA -0.087 4.260 4.340 0.012 0.000 0.235 426 R C 1.833 178.160 176.300 0.046 0.000 1.127 426 R CA 1.471 57.532 56.100 -0.065 0.000 0.968 426 R CB -0.249 29.995 30.300 -0.095 0.000 0.861 426 R HN 0.480 nan 8.270 nan 0.000 0.440 427 I N 0.718 121.342 120.570 0.090 0.000 2.315 427 I HA -0.196 3.981 4.170 0.012 0.000 0.248 427 I C 2.439 178.659 176.117 0.172 0.000 1.117 427 I CA 1.279 62.654 61.300 0.124 0.000 1.404 427 I CB -1.243 36.836 38.000 0.133 0.000 1.071 427 I HN 0.253 nan 8.210 nan 0.000 0.419 428 A N 1.061 124.021 122.820 0.233 0.000 1.908 428 A HA -0.179 4.149 4.320 0.012 0.000 0.218 428 A C 2.591 180.321 177.584 0.243 0.000 1.181 428 A CA 2.148 54.359 52.037 0.290 0.000 0.627 428 A CB -0.712 18.548 19.000 0.433 0.000 0.818 428 A HN 0.425 nan 8.150 nan 0.000 0.445 429 A N -0.388 122.581 122.820 0.249 0.000 1.873 429 A HA 0.194 4.522 4.320 0.012 0.000 0.215 429 A C 1.391 179.066 177.584 0.151 0.000 1.186 429 A CA 0.741 52.918 52.037 0.233 0.000 0.616 429 A CB -0.650 18.492 19.000 0.237 0.000 0.823 429 A HN 0.464 nan 8.150 nan 0.000 0.442 433 I N -1.859 118.792 120.570 0.135 0.000 2.713 433 I HA 0.390 4.567 4.170 0.012 0.000 0.300 433 I C -0.009 176.156 176.117 0.079 0.000 1.009 433 I CA -0.750 60.629 61.300 0.132 0.000 1.305 433 I CB 0.668 38.767 38.000 0.164 0.000 1.430 433 I HN -0.228 nan 8.210 nan 0.000 0.546 434 K N 4.202 124.633 120.400 0.052 0.000 2.183 434 K HA 0.277 4.604 4.320 0.012 0.000 0.272 434 K C -1.028 175.387 176.600 -0.309 0.000 1.113 434 K CA 0.206 56.424 56.287 -0.115 0.000 0.949 434 K CB -0.438 32.103 32.500 0.068 0.000 1.365 434 K HN 0.796 nan 8.250 nan 0.000 0.420 435 H N 1.914 120.639 119.070 -0.574 0.000 2.759 435 H HA 0.394 4.957 4.556 0.012 0.000 0.354 435 H C -1.245 173.683 175.328 -0.667 0.000 1.074 435 H CA -0.878 54.846 56.048 -0.540 0.000 1.226 435 H CB 0.825 30.475 29.762 -0.187 0.000 1.648 435 H HN 0.172 nan 8.280 nan 0.000 0.529 436 F N 4.813 124.912 119.950 0.249 0.000 2.436 436 F HA 0.344 4.878 4.527 0.012 0.000 0.340 436 F C -0.832 174.946 175.800 -0.037 0.000 1.113 436 F CA -0.685 57.430 58.000 0.190 0.000 1.022 436 F CB 0.824 40.064 39.000 0.400 0.000 1.128 436 F HN 0.371 nan 8.300 nan 0.000 0.466 437 F N 4.223 124.236 119.950 0.106 0.000 2.411 437 F HA 0.499 5.033 4.527 0.012 0.000 0.352 437 F C -0.284 175.272 175.800 -0.408 0.000 1.123 437 F CA -0.851 57.000 58.000 -0.250 0.000 1.044 437 F CB 1.138 39.860 39.000 -0.464 0.000 1.135 437 F HN 0.115 nan 8.300 nan 0.000 0.461 438 I N 5.069 125.531 120.570 -0.181 0.000 2.328 438 I HA 0.264 4.442 4.170 0.012 0.000 0.287 438 I C -0.978 175.134 176.117 -0.007 0.000 1.012 438 I CA -0.921 60.353 61.300 -0.043 0.000 1.195 438 I CB 0.349 38.399 38.000 0.082 0.000 1.350 438 I HN 0.312 nan 8.210 nan 0.000 0.464 439 F N 4.307 124.355 119.950 0.164 0.000 2.434 439 F HA 0.379 4.913 4.527 0.012 0.000 0.355 439 F C 0.951 176.824 175.800 0.121 0.000 1.115 439 F CA -1.053 57.028 58.000 0.136 0.000 1.010 439 F CB 1.496 40.477 39.000 -0.031 0.000 1.234 439 F HN 0.414 nan 8.300 nan 0.000 0.439 440 T N -1.527 113.299 114.554 0.453 0.000 2.897 440 T HA 0.454 4.811 4.350 0.012 0.000 0.278 440 T C -0.384 174.620 174.700 0.506 0.000 0.981 440 T CA -0.354 62.012 62.100 0.443 0.000 0.973 440 T CB 0.612 69.810 68.868 0.550 0.000 1.092 440 T HN 0.646 nan 8.240 nan 0.000 0.543 441 H N 0.165 119.305 119.070 0.118 0.000 2.827 441 H HA -0.076 4.488 4.556 0.013 0.000 0.330 441 H C 0.445 175.793 175.328 0.033 0.000 1.236 441 H CA 0.853 56.886 56.048 -0.024 0.000 1.165 441 H CB -1.716 27.858 29.762 -0.313 0.000 1.532 441 H HN 0.821 nan 8.280 nan 0.000 0.434 442 D N -1.014 119.466 120.400 0.133 0.000 2.340 442 D HA 0.056 4.704 4.640 0.012 0.000 0.220 442 D C 0.868 177.278 176.300 0.183 0.000 1.039 442 D CA 0.829 54.958 54.000 0.215 0.000 0.866 442 D CB 0.407 41.250 40.800 0.073 0.000 0.913 442 D HN 0.481 nan 8.370 nan 0.000 0.523 443 S N -0.662 115.063 115.700 0.041 0.000 2.727 443 S HA 0.293 4.770 4.470 0.012 0.000 0.278 443 S C 1.185 175.675 174.600 -0.185 0.000 1.186 443 S CA -0.454 57.713 58.200 -0.056 0.000 0.836 443 S CB 0.109 63.287 63.200 -0.036 0.000 1.186 443 S HN 0.031 nan 8.310 nan 0.000 0.499 444 I N -0.579 119.796 120.570 -0.325 0.000 2.623 444 I HA 0.096 4.273 4.170 0.012 0.000 0.261 444 I C 2.003 177.766 176.117 -0.590 0.000 1.204 444 I CA 1.680 62.703 61.300 -0.463 0.000 1.444 444 I CB -1.227 36.413 38.000 -0.599 0.000 1.094 444 I HN 0.750 nan 8.210 nan 0.000 0.451 445 G N 1.329 109.741 108.800 -0.646 0.000 2.516 445 G HA2 -0.169 3.798 3.960 0.012 0.000 0.221 445 G HA3 -0.169 3.798 3.960 0.012 0.000 0.221 445 G C 1.574 176.368 174.900 -0.177 0.000 1.107 445 G CA 0.949 45.829 45.100 -0.366 0.000 0.747 445 G HN 0.389 nan 8.290 nan 0.000 0.567 446 V N 0.766 120.572 119.914 -0.180 0.000 2.380 446 V HA 0.052 4.179 4.120 0.012 0.000 0.251 446 V C 2.460 178.487 176.094 -0.110 0.000 1.063 446 V CA 2.092 64.314 62.300 -0.131 0.000 1.055 446 V CB -1.069 30.688 31.823 -0.109 0.000 0.657 446 V HN 0.934 nan 8.190 nan 0.000 0.455 447 G N -0.443 108.275 108.800 -0.138 0.000 2.588 447 G HA2 -0.378 3.589 3.960 0.012 0.000 0.273 447 G HA3 -0.378 3.589 3.960 0.012 0.000 0.273 447 G C 0.603 175.463 174.900 -0.067 0.000 1.211 447 G CA 0.451 45.495 45.100 -0.094 0.000 0.958 447 G HN 0.360 nan 8.290 nan 0.000 0.543 448 E N 1.048 121.217 120.200 -0.050 0.000 2.153 448 E HA 0.038 4.395 4.350 0.012 0.000 0.194 448 E C 1.966 178.524 176.600 -0.071 0.000 0.988 448 E CA 1.360 57.733 56.400 -0.045 0.000 0.811 448 E CB -0.182 29.500 29.700 -0.031 0.000 0.746 448 E HN 0.474 nan 8.360 nan 0.000 0.466 449 D N -0.182 120.154 120.400 -0.108 0.000 2.265 449 D HA -0.011 4.636 4.640 0.012 0.000 0.208 449 D C 1.051 177.267 176.300 -0.140 0.000 0.977 449 D CA 1.337 55.217 54.000 -0.199 0.000 0.871 449 D CB -0.220 40.375 40.800 -0.341 0.000 0.925 449 D HN 0.246 nan 8.370 nan 0.000 0.485 450 G N 0.019 108.780 108.800 -0.066 0.000 2.698 450 G HA2 -0.196 3.772 3.960 0.012 0.000 0.225 450 G HA3 -0.196 3.772 3.960 0.012 0.000 0.225 450 G C -1.987 172.915 174.900 0.004 0.000 1.345 450 G CA -0.149 44.936 45.100 -0.024 0.000 0.871 450 G HN -0.034 nan 8.290 nan 0.000 0.540 451 P HA -0.062 nan 4.420 nan 0.000 0.221 451 P C 1.937 179.213 177.300 -0.040 0.000 1.150 451 P CA 2.663 65.756 63.100 -0.011 0.000 0.800 451 P CB -0.363 31.329 31.700 -0.013 0.000 0.787 452 T N -4.591 109.969 114.554 0.010 0.000 3.051 452 T HA -0.118 4.239 4.350 0.012 0.000 0.269 452 T C 1.436 176.147 174.700 0.018 0.000 1.127 452 T CA 1.062 63.184 62.100 0.035 0.000 1.107 452 T CB -1.090 67.877 68.868 0.165 0.000 0.898 452 T HN 0.323 nan 8.240 nan 0.000 0.517 453 H N 0.264 119.271 119.070 -0.104 0.000 2.784 453 H HA 0.308 4.871 4.556 0.012 0.000 0.273 453 H C -0.023 175.172 175.328 -0.221 0.000 1.112 453 H CA -0.339 55.594 56.048 -0.191 0.000 1.162 453 H CB 0.665 30.350 29.762 -0.128 0.000 1.586 453 H HN 0.482 nan 8.280 nan 0.000 0.548 454 Q N 1.972 121.724 119.800 -0.080 0.000 2.368 454 Q HA 0.271 4.618 4.340 0.012 0.000 0.263 454 Q C -2.655 173.275 176.000 -0.118 0.000 1.009 454 Q CA -2.079 53.659 55.803 -0.109 0.000 0.818 454 Q CB 2.159 30.826 28.738 -0.119 0.000 1.239 454 Q HN 0.117 nan 8.270 nan 0.000 0.464 455 P HA 0.005 nan 4.420 nan 0.000 0.269 455 P C -0.188 177.038 177.300 -0.124 0.000 1.209 455 P CA 0.217 63.210 63.100 -0.180 0.000 0.776 455 P CB 0.889 32.486 31.700 -0.172 0.000 0.876 456 I N 1.437 121.933 120.570 -0.123 0.000 3.859 456 I HA 0.009 4.186 4.170 0.012 0.000 0.266 456 I C 1.702 177.778 176.117 -0.069 0.000 1.132 456 I CA 0.631 61.874 61.300 -0.095 0.000 1.361 456 I CB -0.759 37.164 38.000 -0.129 0.000 1.690 456 I HN 0.364 nan 8.210 nan 0.000 0.424 457 E N 1.228 121.372 120.200 -0.094 0.000 2.472 457 E HA -0.036 4.321 4.350 0.012 0.000 0.196 457 E C 1.347 177.865 176.600 -0.136 0.000 1.033 457 E CA 0.470 56.818 56.400 -0.087 0.000 0.886 457 E CB 0.228 29.887 29.700 -0.069 0.000 0.944 457 E HN 0.348 nan 8.360 nan 0.000 0.492 458 Q N 0.614 120.261 119.800 -0.256 0.000 2.123 458 Q HA 0.034 4.381 4.340 0.012 0.000 0.199 458 Q C 1.998 178.005 176.000 0.011 0.000 0.966 458 Q CA 0.679 56.272 55.803 -0.351 0.000 0.845 458 Q CB -0.275 27.815 28.738 -1.080 0.000 0.907 458 Q HN 0.199 nan 8.270 nan 0.000 0.439 459 L N 0.066 121.375 121.223 0.143 0.000 2.012 459 L HA -0.204 4.143 4.340 0.012 0.000 0.210 459 L C 1.940 178.867 176.870 0.095 0.000 1.073 459 L CA 1.809 56.827 54.840 0.297 0.000 0.748 459 L CB -0.838 41.368 42.059 0.245 0.000 0.891 459 L HN 0.112 nan 8.230 nan 0.000 0.431 460 S N -1.391 114.292 115.700 -0.029 0.000 2.370 460 S HA -0.215 4.262 4.470 0.012 0.000 0.226 460 S C 1.816 176.339 174.600 -0.128 0.000 1.033 460 S CA 1.767 59.894 58.200 -0.120 0.000 1.011 460 S CB -0.598 62.512 63.200 -0.150 0.000 0.852 460 S HN 0.583 nan 8.310 nan 0.000 0.457 461 T N 1.649 116.127 114.554 -0.128 0.000 2.674 461 T HA -0.024 4.333 4.350 0.012 0.000 0.265 461 T C 1.437 175.942 174.700 -0.326 0.000 1.039 461 T CA 1.317 63.264 62.100 -0.254 0.000 1.150 461 T CB -0.481 68.179 68.868 -0.347 0.000 0.864 461 T HN 0.347 nan 8.240 nan 0.000 0.427 462 F N 1.300 121.174 119.950 -0.127 0.000 2.234 462 F HA 0.070 4.604 4.527 0.012 0.000 0.299 462 F C 2.585 178.346 175.800 -0.065 0.000 1.087 462 F CA 0.801 58.720 58.000 -0.135 0.000 1.340 462 F CB -0.270 38.734 39.000 0.006 0.000 1.031 462 F HN -0.033 nan 8.300 nan 0.000 0.500 463 R N 0.338 120.878 120.500 0.067 0.000 2.081 463 R HA 0.005 4.352 4.340 0.012 0.000 0.235 463 R C 1.409 177.676 176.300 -0.055 0.000 1.131 463 R CA 0.721 56.806 56.100 -0.025 0.000 0.960 463 R CB -0.677 29.476 30.300 -0.246 0.000 0.856 463 R HN 0.206 nan 8.270 nan 0.000 0.436 467 N N -0.378 118.397 118.700 0.124 0.000 2.735 467 N HA -0.210 4.538 4.740 0.012 0.000 0.248 467 N C -0.993 174.640 175.510 0.205 0.000 1.083 467 N CA 1.049 54.180 53.050 0.135 0.000 0.703 467 N CB -1.452 37.110 38.487 0.125 0.000 1.005 467 N HN 0.476 nan 8.380 nan 0.000 0.550 468 F N 0.258 120.218 119.950 0.016 0.000 2.787 468 F HA 0.388 4.922 4.527 0.012 0.000 0.340 468 F C -0.647 175.136 175.800 -0.029 0.000 1.232 468 F CA -0.814 57.194 58.000 0.013 0.000 1.051 468 F CB 0.878 39.897 39.000 0.031 0.000 1.330 468 F HN -0.106 nan 8.300 nan 0.000 0.522 469 L N 5.040 126.134 121.223 -0.216 0.000 2.331 469 L HA 0.429 4.776 4.340 0.012 0.000 0.278 469 L C -0.059 176.571 176.870 -0.399 0.000 1.106 469 L CA -0.139 54.492 54.840 -0.349 0.000 0.824 469 L CB 1.165 42.897 42.059 -0.545 0.000 1.142 469 L HN 0.545 nan 8.230 nan 0.000 0.443 470 T N 3.167 117.514 114.554 -0.344 0.000 2.893 470 T HA 0.453 4.811 4.350 0.012 0.000 0.324 470 T C -0.449 174.023 174.700 -0.380 0.000 1.082 470 T CA -0.351 61.626 62.100 -0.206 0.000 0.983 470 T CB 0.030 68.946 68.868 0.079 0.000 1.005 470 T HN 0.077 nan 8.240 nan 0.000 0.475 471 F N 2.194 121.978 119.950 -0.277 0.000 2.404 471 F HA 0.531 5.065 4.527 0.012 0.000 0.345 471 F C 1.073 176.775 175.800 -0.162 0.000 1.110 471 F CA -1.089 56.762 58.000 -0.248 0.000 1.130 471 F CB 1.099 39.829 39.000 -0.449 0.000 1.129 471 F HN 0.278 nan 8.300 nan 0.000 0.500 472 R N 4.974 125.534 120.500 0.099 0.000 2.547 472 R HA 0.329 4.676 4.340 0.012 0.000 0.280 472 R C -2.912 173.434 176.300 0.076 0.000 1.630 472 R CA -1.864 54.267 56.100 0.052 0.000 1.470 472 R CB 0.677 30.989 30.300 0.020 0.000 1.178 472 R HN 0.258 nan 8.270 nan 0.000 0.591 473 P HA 0.073 nan 4.420 nan 0.000 0.271 473 P C -0.022 177.309 177.300 0.053 0.000 1.216 473 P CA 0.103 63.252 63.100 0.080 0.000 0.776 473 P CB 1.799 33.543 31.700 0.074 0.000 0.881 474 A N 2.733 125.587 122.820 0.056 0.000 2.072 474 A HA 0.051 4.378 4.320 0.012 0.000 0.216 474 A C 0.717 178.340 177.584 0.065 0.000 1.156 474 A CA 1.135 53.204 52.037 0.053 0.000 0.701 474 A CB -0.457 18.567 19.000 0.039 0.000 0.816 474 A HN 0.701 nan 8.150 nan 0.000 0.458 475 D N -4.722 115.709 120.400 0.051 0.000 2.759 475 D HA 0.362 5.009 4.640 0.012 0.000 0.321 475 D C 1.019 177.293 176.300 -0.044 0.000 1.267 475 D CA 0.162 54.175 54.000 0.023 0.000 0.933 475 D CB 0.341 41.194 40.800 0.088 0.000 1.431 475 D HN -0.074 nan 8.370 nan 0.000 0.504 476 G N -0.478 108.241 108.800 -0.135 0.000 2.408 476 G HA2 -0.107 3.861 3.960 0.012 0.000 0.217 476 G HA3 -0.107 3.861 3.960 0.012 0.000 0.217 476 G C 1.420 176.357 174.900 0.062 0.000 1.150 476 G CA 1.193 46.082 45.100 -0.351 0.000 0.776 476 G HN 0.290 nan 8.290 nan 0.000 0.542 477 V N 0.792 120.796 119.914 0.150 0.000 2.358 477 V HA -0.167 3.960 4.120 0.012 0.000 0.246 477 V C 2.653 178.783 176.094 0.061 0.000 1.047 477 V CA 2.072 64.458 62.300 0.144 0.000 1.035 477 V CB -0.498 31.390 31.823 0.107 0.000 0.658 477 V HN 0.454 nan 8.190 nan 0.000 0.452 478 E N 0.230 120.464 120.200 0.056 0.000 2.110 478 E HA -0.256 4.101 4.350 0.012 0.000 0.193 478 E C 2.130 178.736 176.600 0.010 0.000 0.988 478 E CA 1.281 57.705 56.400 0.041 0.000 0.804 478 E CB -0.290 29.464 29.700 0.090 0.000 0.745 478 E HN 0.526 nan 8.360 nan 0.000 0.458 479 N N 0.925 119.642 118.700 0.028 0.000 2.120 479 N HA -0.135 4.613 4.740 0.012 0.000 0.188 479 N C 1.807 177.367 175.510 0.083 0.000 1.024 479 N CA 0.886 53.969 53.050 0.056 0.000 0.852 479 N CB -0.132 38.365 38.487 0.017 0.000 1.003 479 N HN -0.026 nan 8.380 nan 0.000 0.424 480 V N 1.104 121.050 119.914 0.055 0.000 2.295 480 V HA -0.191 3.937 4.120 0.012 0.000 0.246 480 V C 2.225 178.167 176.094 -0.255 0.000 1.049 480 V CA 1.649 63.889 62.300 -0.099 0.000 1.024 480 V CB -0.404 31.364 31.823 -0.091 0.000 0.648 480 V HN 0.341 nan 8.190 nan 0.000 0.447 481 K N 0.263 120.553 120.400 -0.183 0.000 2.147 481 K HA -0.121 4.206 4.320 0.012 0.000 0.205 481 K C 2.263 178.708 176.600 -0.258 0.000 1.049 481 K CA 1.393 57.557 56.287 -0.206 0.000 0.936 481 K CB -0.430 31.980 32.500 -0.150 0.000 0.722 481 K HN 0.487 nan 8.250 nan 0.000 0.446 482 A N 0.638 123.260 122.820 -0.331 0.000 1.877 482 A HA -0.176 4.151 4.320 0.012 0.000 0.216 482 A C 1.848 179.055 177.584 -0.627 0.000 1.186 482 A CA 1.269 52.801 52.037 -0.842 0.000 0.620 482 A CB -0.936 17.546 19.000 -0.863 0.000 0.822 482 A HN 0.452 nan 8.150 nan 0.000 0.443 483 W N 0.098 121.241 121.300 -0.262 0.000 2.358 483 W HA -0.187 4.480 4.660 0.012 0.000 0.303 483 W C 2.747 179.121 176.519 -0.243 0.000 1.208 483 W CA 1.627 58.849 57.345 -0.205 0.000 1.274 483 W CB -0.227 29.071 29.460 -0.269 0.000 1.138 483 W HN 0.443 nan 8.180 nan 0.000 0.515 484 Q N -0.215 119.524 119.800 -0.101 0.000 2.135 484 Q HA -0.214 4.133 4.340 0.012 0.000 0.204 484 Q C 1.985 177.961 176.000 -0.039 0.000 0.981 484 Q CA 1.814 57.562 55.803 -0.091 0.000 0.856 484 Q CB -0.500 28.123 28.738 -0.192 0.000 0.902 484 Q HN 0.412 nan 8.270 nan 0.000 0.425 485 I N 0.376 120.896 120.570 -0.084 0.000 2.286 485 I HA -0.220 3.958 4.170 0.012 0.000 0.245 485 I C 2.424 178.575 176.117 0.057 0.000 1.104 485 I CA 0.841 62.140 61.300 -0.001 0.000 1.397 485 I CB -0.386 37.640 38.000 0.044 0.000 1.072 485 I HN 0.131 nan 8.210 nan 0.000 0.417 486 A N 1.003 123.828 122.820 0.008 0.000 1.908 486 A HA -0.170 4.157 4.320 0.012 0.000 0.218 486 A C 2.295 180.011 177.584 0.220 0.000 1.181 486 A CA 1.540 53.663 52.037 0.144 0.000 0.627 486 A CB -0.915 18.117 19.000 0.054 0.000 0.818 486 A HN 0.395 nan 8.150 nan 0.000 0.445 487 L N -0.873 120.380 121.223 0.050 0.000 2.141 487 L HA -0.160 4.187 4.340 0.012 0.000 0.209 487 L C 1.993 178.802 176.870 -0.101 0.000 1.094 487 L CA 1.492 56.212 54.840 -0.200 0.000 0.763 487 L CB -0.467 41.148 42.059 -0.740 0.000 0.908 487 L HN 0.483 nan 8.230 nan 0.000 0.437 488 N N -0.446 118.280 118.700 0.043 0.000 2.422 488 N HA 0.117 4.865 4.740 0.012 0.000 0.181 488 N C 0.718 176.319 175.510 0.151 0.000 1.080 488 N CA -0.036 53.102 53.050 0.147 0.000 0.893 488 N CB 0.288 38.857 38.487 0.136 0.000 0.973 488 N HN 0.220 nan 8.380 nan 0.000 0.456 489 A N 1.341 124.248 122.820 0.145 0.000 2.327 489 A HA 0.059 4.387 4.320 0.012 0.000 0.255 489 A C 0.526 178.194 177.584 0.139 0.000 1.099 489 A CA -0.123 51.994 52.037 0.134 0.000 0.801 489 A CB 0.262 19.341 19.000 0.131 0.000 1.062 489 A HN 0.321 nan 8.150 nan 0.000 0.496 490 D N -0.875 119.592 120.400 0.111 0.000 2.368 490 D HA 0.188 4.835 4.640 0.012 0.000 0.218 490 D C 0.157 176.513 176.300 0.093 0.000 1.112 490 D CA 0.167 54.232 54.000 0.109 0.000 0.834 490 D CB -0.538 40.320 40.800 0.097 0.000 0.953 490 D HN 0.544 nan 8.370 nan 0.000 0.505 491 I N -4.575 116.040 120.570 0.075 0.000 3.074 491 I HA 0.593 4.770 4.170 0.012 0.000 0.310 491 I C -2.939 173.168 176.117 -0.017 0.000 1.153 491 I CA -2.817 58.509 61.300 0.043 0.000 0.993 491 I CB 2.371 40.393 38.000 0.035 0.000 1.237 491 I HN -0.403 nan 8.210 nan 0.000 0.443 492 P HA 0.237 nan 4.420 nan 0.000 0.272 492 P C -0.776 176.208 177.300 -0.527 0.000 1.240 492 P CA -0.109 62.850 63.100 -0.235 0.000 0.791 492 P CB 1.043 32.661 31.700 -0.137 0.000 0.978 493 S N -0.596 114.833 115.700 -0.451 0.000 2.549 493 S HA 0.715 5.193 4.470 0.012 0.000 0.280 493 S C -0.758 173.606 174.600 -0.393 0.000 1.109 493 S CA -0.523 57.378 58.200 -0.499 0.000 0.905 493 S CB 1.869 64.966 63.200 -0.172 0.000 1.081 493 S HN 0.670 nan 8.310 nan 0.000 0.477 494 A N 1.521 124.101 122.820 -0.400 0.000 2.355 494 A HA 0.891 5.218 4.320 0.012 0.000 0.324 494 A C -1.470 175.860 177.584 -0.424 0.000 1.117 494 A CA -0.552 51.373 52.037 -0.186 0.000 0.785 494 A CB 0.503 19.538 19.000 0.059 0.000 1.254 494 A HN 0.640 nan 8.150 nan 0.000 0.453 495 F N 1.305 121.155 119.950 -0.167 0.000 2.427 495 F HA 0.481 5.015 4.527 0.012 0.000 0.348 495 F C -0.105 175.614 175.800 -0.135 0.000 1.125 495 F CA -0.586 57.338 58.000 -0.126 0.000 0.989 495 F CB 2.288 41.176 39.000 -0.186 0.000 1.165 495 F HN 0.240 nan 8.300 nan 0.000 0.442 496 V N 5.811 125.707 119.914 -0.029 0.000 2.347 496 V HA 0.489 4.616 4.120 0.012 0.000 0.280 496 V C -0.237 175.821 176.094 -0.061 0.000 1.021 496 V CA -0.559 61.617 62.300 -0.207 0.000 0.847 496 V CB 1.238 32.788 31.823 -0.453 0.000 0.990 496 V HN 0.564 nan 8.190 nan 0.000 0.444 497 L N 4.033 125.254 121.223 -0.004 0.000 2.370 497 L HA 0.642 4.989 4.340 0.012 0.000 0.266 497 L C 0.366 177.259 176.870 0.038 0.000 1.002 497 L CA -0.563 54.304 54.840 0.045 0.000 0.818 497 L CB 2.579 44.691 42.059 0.088 0.000 1.325 497 L HN 0.685 nan 8.230 nan 0.000 0.418 498 S N 1.053 116.758 115.700 0.009 0.000 2.584 498 S HA 0.305 4.783 4.470 0.012 0.000 0.273 498 S C 0.782 175.325 174.600 -0.096 0.000 1.311 498 S CA -0.543 57.642 58.200 -0.025 0.000 1.034 498 S CB 1.787 64.979 63.200 -0.013 0.000 0.939 498 S HN 0.782 nan 8.310 nan 0.000 0.513 499 R N 1.074 121.436 120.500 -0.230 0.000 2.062 499 R HA -0.035 4.312 4.340 0.012 0.000 0.229 499 R C 0.949 177.155 176.300 -0.157 0.000 1.128 499 R CA 0.851 56.722 56.100 -0.382 0.000 0.960 499 R CB -0.189 29.712 30.300 -0.665 0.000 0.855 499 R HN 0.916 nan 8.270 nan 0.000 0.432 500 Q N 1.840 121.588 119.800 -0.086 0.000 2.260 500 Q HA 0.088 4.435 4.340 0.012 0.000 0.238 500 Q C -1.052 174.933 176.000 -0.025 0.000 0.948 500 Q CA -0.273 55.513 55.803 -0.028 0.000 0.895 500 Q CB 0.946 29.703 28.738 0.032 0.000 1.218 500 Q HN -0.036 nan 8.270 nan 0.000 0.470 501 K N 2.057 122.443 120.400 -0.023 0.000 2.401 501 K HA 0.238 4.565 4.320 0.012 0.000 0.278 501 K C -0.643 175.934 176.600 -0.039 0.000 1.018 501 K CA -0.101 56.166 56.287 -0.033 0.000 0.981 501 K CB 0.337 32.816 32.500 -0.035 0.000 0.933 501 K HN 0.585 nan 8.250 nan 0.000 0.477 502 L N 3.327 124.527 121.223 -0.038 0.000 2.322 502 L HA 0.451 4.799 4.340 0.012 0.000 0.269 502 L C -0.105 176.739 176.870 -0.043 0.000 1.012 502 L CA -1.122 53.704 54.840 -0.024 0.000 0.815 502 L CB 1.626 43.695 42.059 0.016 0.000 1.295 502 L HN 0.590 nan 8.230 nan 0.000 0.438 503 K N 1.324 121.683 120.400 -0.068 0.000 2.234 503 K HA 0.538 4.865 4.320 0.012 0.000 0.282 503 K C -0.210 176.448 176.600 0.096 0.000 1.039 503 K CA -0.441 55.722 56.287 -0.207 0.000 0.928 503 K CB 1.417 33.395 32.500 -0.871 0.000 1.039 503 K HN 0.712 nan 8.250 nan 0.000 0.470 504 A N 4.644 127.514 122.820 0.083 0.000 2.498 504 A HA 0.170 4.497 4.320 0.012 0.000 0.239 504 A C -0.083 177.753 177.584 0.419 0.000 1.068 504 A CA -0.127 52.029 52.037 0.198 0.000 0.766 504 A CB 0.040 19.115 19.000 0.125 0.000 1.003 504 A HN 0.751 nan 8.150 nan 0.000 0.497 505 L N 1.492 122.913 121.223 0.331 0.000 2.399 505 L HA 0.240 4.587 4.340 0.012 0.000 0.265 505 L C 0.867 177.862 176.870 0.209 0.000 1.089 505 L CA -0.742 54.267 54.840 0.281 0.000 0.802 505 L CB 0.872 43.012 42.059 0.135 0.000 1.180 505 L HN 1.005 nan 8.230 nan 0.000 0.454 506 N N -0.160 118.631 118.700 0.151 0.000 2.371 506 N HA 0.039 4.786 4.740 0.012 0.000 0.243 506 N C -0.538 175.029 175.510 0.094 0.000 1.287 506 N CA -0.636 52.479 53.050 0.108 0.000 0.911 506 N CB 0.470 38.996 38.487 0.065 0.000 1.142 506 N HN 0.473 nan 8.380 nan 0.000 0.451 507 E N -0.113 120.134 120.200 0.079 0.000 2.404 507 E HA 0.090 4.448 4.350 0.012 0.000 0.261 507 E C -2.056 174.600 176.600 0.093 0.000 1.074 507 E CA -1.358 55.083 56.400 0.068 0.000 0.917 507 E CB 0.085 29.812 29.700 0.045 0.000 0.965 507 E HN 0.518 nan 8.360 nan 0.000 0.433 508 P HA -0.089 nan 4.420 nan 0.000 0.264 508 P C 0.317 177.686 177.300 0.116 0.000 1.183 508 P CA 0.231 63.414 63.100 0.138 0.000 0.763 508 P CB 0.584 32.222 31.700 -0.105 0.000 0.807 509 V N 2.447 122.460 119.914 0.166 0.000 2.825 509 V HA 0.117 4.244 4.120 0.012 0.000 0.246 509 V C 0.489 176.734 176.094 0.252 0.000 1.068 509 V CA 1.170 63.565 62.300 0.158 0.000 1.088 509 V CB -0.545 31.354 31.823 0.128 0.000 0.733 509 V HN 0.502 nan 8.190 nan 0.000 0.468 510 F N -0.545 119.464 119.950 0.099 0.000 2.623 510 F HA 0.614 5.148 4.527 0.012 0.000 0.323 510 F C 0.042 175.955 175.800 0.188 0.000 1.158 510 F CA 0.007 58.070 58.000 0.104 0.000 1.030 510 F CB 0.890 39.927 39.000 0.062 0.000 1.280 510 F HN 0.293 nan 8.300 nan 0.000 0.474 511 G N 3.958 112.372 108.800 -0.644 0.000 2.782 511 G HA2 0.199 4.166 3.960 0.012 0.000 0.228 511 G HA3 0.199 4.166 3.960 0.012 0.000 0.228 511 G C -1.513 173.247 174.900 -0.234 0.000 1.372 511 G CA 0.012 44.919 45.100 -0.322 0.000 0.862 511 G HN 1.038 nan 8.290 nan 0.000 0.547 512 D N -3.280 116.964 120.400 -0.261 0.000 2.838 512 D HA 0.472 5.120 4.640 0.012 0.000 0.334 512 D C 1.685 177.767 176.300 -0.363 0.000 1.315 512 D CA 0.170 53.820 54.000 -0.582 0.000 0.917 512 D CB 0.984 41.547 40.800 -0.396 0.000 1.435 512 D HN 0.674 nan 8.370 nan 0.000 0.517 513 V N 1.300 120.992 119.914 -0.369 0.000 2.469 513 V HA -0.232 3.896 4.120 0.012 0.000 0.251 513 V C 2.221 178.323 176.094 0.013 0.000 1.064 513 V CA 2.478 64.749 62.300 -0.049 0.000 1.066 513 V CB -0.762 31.032 31.823 -0.048 0.000 0.667 513 V HN 0.579 nan 8.190 nan 0.000 0.461 514 K N 0.799 121.165 120.400 -0.056 0.000 2.280 514 K HA -0.174 4.153 4.320 0.012 0.000 0.202 514 K C 1.261 177.837 176.600 -0.041 0.000 1.047 514 K CA 2.114 58.385 56.287 -0.027 0.000 0.942 514 K CB -0.535 31.927 32.500 -0.064 0.000 0.739 514 K HN 0.542 nan 8.250 nan 0.000 0.457 515 N N 0.132 118.783 118.700 -0.082 0.000 2.398 515 N HA 0.093 4.840 4.740 0.012 0.000 0.188 515 N C 0.951 176.485 175.510 0.040 0.000 1.122 515 N CA 0.518 53.493 53.050 -0.125 0.000 0.866 515 N CB 0.969 39.244 38.487 -0.355 0.000 0.970 515 N HN 0.498 nan 8.380 nan 0.000 0.462 516 G N 0.126 108.964 108.800 0.063 0.000 2.640 516 G HA2 -0.290 3.677 3.960 0.012 0.000 0.226 516 G HA3 -0.290 3.677 3.960 0.012 0.000 0.226 516 G C 0.149 175.003 174.900 -0.075 0.000 1.222 516 G CA 0.137 45.272 45.100 0.058 0.000 0.729 516 G HN 0.624 nan 8.290 nan 0.000 0.516 517 A N -0.496 122.156 122.820 -0.279 0.000 2.435 517 A HA 0.984 5.311 4.320 0.012 0.000 0.304 517 A C -0.677 176.820 177.584 -0.144 0.000 1.064 517 A CA 0.128 51.825 52.037 -0.567 0.000 0.727 517 A CB 1.379 19.355 19.000 -1.708 0.000 1.284 517 A HN 2.001 nan 8.150 nan 0.000 0.415 518 Y N -1.058 119.110 120.300 -0.220 0.000 2.670 518 Y HA 0.741 5.298 4.550 0.012 0.000 0.334 518 Y C -1.562 174.283 175.900 -0.093 0.000 1.185 518 Y CA -1.459 56.596 58.100 -0.076 0.000 1.053 518 Y CB 0.915 39.356 38.460 -0.032 0.000 1.298 518 Y HN 0.514 nan 8.280 nan 0.000 0.459 519 L N 2.580 123.866 121.223 0.105 0.000 2.292 519 L HA 0.354 4.701 4.340 0.012 0.000 0.284 519 L C 0.486 177.386 176.870 0.050 0.000 1.065 519 L CA -0.381 54.464 54.840 0.008 0.000 0.806 519 L CB 1.344 43.470 42.059 0.112 0.000 1.175 519 L HN 0.825 nan 8.230 nan 0.000 0.431 520 L N 2.476 123.636 121.223 -0.105 0.000 2.354 520 L HA 0.188 4.536 4.340 0.012 0.000 0.212 520 L C 0.648 177.489 176.870 -0.047 0.000 1.091 520 L CA 0.559 55.359 54.840 -0.065 0.000 0.828 520 L CB 0.092 42.037 42.059 -0.191 0.000 0.973 520 L HN 0.509 nan 8.230 nan 0.000 0.461 521 K N 0.669 121.033 120.400 -0.059 0.000 2.513 521 K HA 0.330 4.657 4.320 0.012 0.000 0.251 521 K C -1.323 175.264 176.600 -0.021 0.000 0.939 521 K CA -0.443 55.821 56.287 -0.039 0.000 0.793 521 K CB 2.217 34.679 32.500 -0.064 0.000 1.241 521 K HN -0.158 nan 8.250 nan 0.000 0.431 522 E N 2.505 122.702 120.200 -0.005 0.000 2.246 522 E HA 0.353 4.710 4.350 0.012 0.000 0.266 522 E C -1.588 175.006 176.600 -0.009 0.000 0.880 522 E CA -0.644 55.750 56.400 -0.010 0.000 0.762 522 E CB 1.900 31.594 29.700 -0.011 0.000 1.180 522 E HN 0.539 nan 8.360 nan 0.000 0.416 523 S N 1.963 117.657 115.700 -0.010 0.000 2.513 523 S HA 0.561 5.039 4.470 0.012 0.000 0.299 523 S C -0.285 174.305 174.600 -0.017 0.000 1.087 523 S CA -0.794 57.403 58.200 -0.006 0.000 1.012 523 S CB 1.569 64.775 63.200 0.010 0.000 1.044 523 S HN 0.619 nan 8.310 nan 0.000 0.485 524 K N 1.507 121.896 120.400 -0.020 0.000 2.436 524 K HA 0.247 4.574 4.320 0.012 0.000 0.275 524 K C 0.487 177.072 176.600 -0.025 0.000 0.999 524 K CA -0.118 56.153 56.287 -0.027 0.000 0.980 524 K CB -0.420 32.065 32.500 -0.025 0.000 0.919 524 K HN 0.695 nan 8.250 nan 0.000 0.484 525 E N -1.677 118.505 120.200 -0.031 0.000 2.269 525 E HA -0.196 4.161 4.350 0.012 0.000 0.223 525 E C 0.098 176.677 176.600 -0.035 0.000 1.244 525 E CA 0.930 57.310 56.400 -0.034 0.000 0.713 525 E CB -2.522 27.157 29.700 -0.035 0.000 1.178 525 E HN 1.111 nan 8.360 nan 0.000 0.370 526 A N 1.103 123.906 122.820 -0.028 0.000 2.520 526 A HA 0.085 4.412 4.320 0.012 0.000 0.245 526 A C 1.433 178.976 177.584 -0.069 0.000 1.072 526 A CA 0.210 52.235 52.037 -0.019 0.000 0.761 526 A CB 0.527 19.528 19.000 0.003 0.000 1.004 526 A HN 0.077 nan 8.150 nan 0.000 0.499 527 K N 1.096 121.417 120.400 -0.131 0.000 2.186 527 K HA 0.132 4.460 4.320 0.012 0.000 0.202 527 K C -0.654 175.599 176.600 -0.578 0.000 1.052 527 K CA 1.005 57.063 56.287 -0.380 0.000 0.965 527 K CB -0.059 32.139 32.500 -0.504 0.000 0.746 527 K HN 0.650 nan 8.250 nan 0.000 0.457 528 F N -0.209 119.756 119.950 0.025 0.000 2.576 528 F HA 0.319 4.854 4.527 0.012 0.000 0.313 528 F C -0.103 175.704 175.800 0.013 0.000 1.078 528 F CA -0.882 57.121 58.000 0.005 0.000 0.921 528 F CB 2.068 41.049 39.000 -0.031 0.000 1.232 528 F HN -0.416 nan 8.300 nan 0.000 0.459 529 T N 3.514 118.204 114.554 0.227 0.000 2.841 529 T HA 0.626 4.983 4.350 0.012 0.000 0.285 529 T C -1.054 173.701 174.700 0.092 0.000 0.991 529 T CA -0.477 61.694 62.100 0.119 0.000 0.966 529 T CB 1.071 69.991 68.868 0.086 0.000 0.962 529 T HN 0.181 nan 8.240 nan 0.000 0.438 530 L N 3.786 125.026 121.223 0.028 0.000 2.265 530 L HA 0.596 4.943 4.340 0.012 0.000 0.289 530 L C -0.399 176.444 176.870 -0.044 0.000 1.033 530 L CA -0.327 54.506 54.840 -0.012 0.000 0.814 530 L CB 1.118 43.147 42.059 -0.050 0.000 1.203 530 L HN 0.511 nan 8.230 nan 0.000 0.423 531 L N 3.645 124.853 121.223 -0.026 0.000 2.333 531 L HA 0.974 5.322 4.340 0.012 0.000 0.280 531 L C -0.550 176.299 176.870 -0.035 0.000 1.004 531 L CA -0.050 54.755 54.840 -0.058 0.000 0.820 531 L CB 1.330 43.377 42.059 -0.021 0.000 1.247 531 L HN 0.769 nan 8.230 nan 0.000 0.416 532 A N 2.910 125.686 122.820 -0.073 0.000 2.593 532 A HA 0.870 5.197 4.320 0.012 0.000 0.290 532 A C -1.111 176.441 177.584 -0.053 0.000 1.126 532 A CA -0.148 51.870 52.037 -0.032 0.000 0.695 532 A CB 1.941 20.923 19.000 -0.029 0.000 1.290 532 A HN 0.730 nan 8.150 nan 0.000 0.414 533 S N -0.811 114.884 115.700 -0.009 0.000 2.634 533 S HA 0.834 5.312 4.470 0.012 0.000 0.296 533 S C 0.756 175.357 174.600 0.003 0.000 1.104 533 S CA 0.392 58.589 58.200 -0.006 0.000 0.920 533 S CB 0.994 64.214 63.200 0.032 0.000 1.111 533 S HN 2.794 nan 8.310 nan 0.000 0.493 534 G N 2.208 111.014 108.800 0.011 0.000 2.652 534 G HA2 -0.379 3.588 3.960 0.012 0.000 0.318 534 G HA3 -0.379 3.588 3.960 0.012 0.000 0.318 534 G C 1.129 176.037 174.900 0.013 0.000 1.295 534 G CA 1.473 46.584 45.100 0.019 0.000 0.999 534 G HN 2.113 nan 8.290 nan 0.000 0.548 535 S N -0.095 115.608 115.700 0.005 0.000 2.500 535 S HA -0.004 4.473 4.470 0.012 0.000 0.239 535 S C 1.636 176.206 174.600 -0.050 0.000 0.989 535 S CA 2.159 60.347 58.200 -0.021 0.000 0.951 535 S CB 0.016 63.193 63.200 -0.039 0.000 0.759 535 S HN 0.618 nan 8.310 nan 0.000 0.523 536 E N 0.667 120.849 120.200 -0.030 0.000 2.479 536 E HA 0.231 4.589 4.350 0.012 0.000 0.193 536 E C 1.684 178.284 176.600 -0.001 0.000 1.049 536 E CA 0.014 56.409 56.400 -0.008 0.000 0.870 536 E CB -0.118 29.608 29.700 0.042 0.000 0.944 536 E HN 0.384 nan 8.360 nan 0.000 0.492 537 V N -0.543 119.356 119.914 -0.024 0.000 2.358 537 V HA -0.215 3.913 4.120 0.012 0.000 0.246 537 V C 1.552 177.552 176.094 -0.157 0.000 1.047 537 V CA 1.518 63.752 62.300 -0.109 0.000 1.035 537 V CB -0.451 31.284 31.823 -0.147 0.000 0.658 537 V HN 0.440 nan 8.190 nan 0.000 0.452 538 W N -0.420 120.848 121.300 -0.054 0.000 2.402 538 W HA -0.124 4.543 4.660 0.012 0.000 0.286 538 W C 2.238 178.728 176.519 -0.048 0.000 1.221 538 W CA 1.281 58.597 57.345 -0.049 0.000 1.257 538 W CB -0.325 29.104 29.460 -0.052 0.000 1.120 538 W HN 0.182 nan 8.180 nan 0.000 0.551 539 L N 0.008 121.314 121.223 0.138 0.000 2.042 539 L HA -0.240 4.108 4.340 0.012 0.000 0.210 539 L C 2.102 178.983 176.870 0.018 0.000 1.076 539 L CA 1.996 56.883 54.840 0.079 0.000 0.749 539 L CB -1.213 40.888 42.059 0.071 0.000 0.893 539 L HN -0.020 nan 8.230 nan 0.000 0.432 540 C N -0.996 118.282 119.300 -0.035 0.000 2.446 540 C HA -0.075 4.393 4.460 0.012 0.000 0.277 540 C C 2.720 177.640 174.990 -0.118 0.000 1.275 540 C CA 0.602 59.570 59.018 -0.084 0.000 1.727 540 C CB -0.990 26.689 27.740 -0.101 0.000 2.010 540 C HN 0.583 nan 8.230 nan 0.000 0.486 541 L N 0.632 121.730 121.223 -0.208 0.000 2.012 541 L HA -0.174 4.173 4.340 0.012 0.000 0.210 541 L C 2.828 179.648 176.870 -0.082 0.000 1.073 541 L CA 1.483 56.152 54.840 -0.284 0.000 0.748 541 L CB -0.712 40.881 42.059 -0.776 0.000 0.891 541 L HN 0.356 nan 8.230 nan 0.000 0.431 542 E N -0.208 120.029 120.200 0.062 0.000 2.077 542 E HA -0.167 4.191 4.350 0.012 0.000 0.193 542 E C 2.365 178.992 176.600 0.046 0.000 0.989 542 E CA 1.501 57.976 56.400 0.125 0.000 0.800 542 E CB -0.156 29.651 29.700 0.179 0.000 0.746 542 E HN 0.407 nan 8.360 nan 0.000 0.452 543 S N 0.857 116.558 115.700 0.003 0.000 2.383 543 S HA -0.088 4.390 4.470 0.012 0.000 0.227 543 S C 2.080 176.662 174.600 -0.029 0.000 1.026 543 S CA 0.935 59.115 58.200 -0.033 0.000 0.981 543 S CB -0.084 63.065 63.200 -0.084 0.000 0.818 543 S HN 0.379 nan 8.310 nan 0.000 0.472 544 A N 2.059 124.861 122.820 -0.029 0.000 1.930 544 A HA -0.118 4.209 4.320 0.012 0.000 0.217 544 A C 1.928 179.531 177.584 0.031 0.000 1.175 544 A CA 1.737 53.771 52.037 -0.004 0.000 0.627 544 A CB -0.739 18.246 19.000 -0.025 0.000 0.815 544 A HN 0.497 nan 8.150 nan 0.000 0.443 545 N N -0.241 118.475 118.700 0.028 0.000 2.188 545 N HA -0.163 4.585 4.740 0.012 0.000 0.184 545 N C 1.665 177.210 175.510 0.059 0.000 1.018 545 N CA 1.687 54.766 53.050 0.048 0.000 0.858 545 N CB -0.203 38.321 38.487 0.061 0.000 0.989 545 N HN 0.459 nan 8.380 nan 0.000 0.426 546 E N 0.220 120.451 120.200 0.052 0.000 2.072 546 E HA -0.037 4.321 4.350 0.012 0.000 0.191 546 E C 1.950 178.605 176.600 0.091 0.000 0.985 546 E CA 0.941 57.376 56.400 0.057 0.000 0.801 546 E CB -0.363 29.358 29.700 0.036 0.000 0.750 546 E HN 0.421 nan 8.360 nan 0.000 0.452 547 L N 0.634 121.916 121.223 0.097 0.000 2.046 547 L HA -0.172 4.176 4.340 0.012 0.000 0.208 547 L C 2.462 179.496 176.870 0.275 0.000 1.077 547 L CA 1.392 56.355 54.840 0.204 0.000 0.747 547 L CB -0.434 41.711 42.059 0.143 0.000 0.896 547 L HN 0.167 nan 8.230 nan 0.000 0.432 548 E N 0.330 120.630 120.200 0.167 0.000 2.077 548 E HA -0.224 4.133 4.350 0.012 0.000 0.193 548 E C 2.154 178.802 176.600 0.080 0.000 0.989 548 E CA 1.102 57.574 56.400 0.120 0.000 0.800 548 E CB -0.100 29.647 29.700 0.078 0.000 0.746 548 E HN 0.489 nan 8.360 nan 0.000 0.452 549 K N 0.622 121.068 120.400 0.077 0.000 2.147 549 K HA -0.134 4.193 4.320 0.012 0.000 0.205 549 K C 2.044 178.673 176.600 0.049 0.000 1.049 549 K CA 0.951 57.269 56.287 0.052 0.000 0.936 549 K CB -0.058 32.473 32.500 0.051 0.000 0.722 549 K HN 0.180 nan 8.250 nan 0.000 0.446 550 Q N -0.669 119.190 119.800 0.098 0.000 2.444 550 Q HA 0.029 4.376 4.340 0.012 0.000 0.206 550 Q C 0.620 176.562 176.000 -0.097 0.000 0.948 550 Q CA 0.558 56.415 55.803 0.090 0.000 0.946 550 Q CB 0.691 29.586 28.738 0.263 0.000 1.027 550 Q HN 0.525 nan 8.270 nan 0.000 0.513 551 G N 0.573 109.304 108.800 -0.115 0.000 2.134 551 G HA2 -0.213 3.755 3.960 0.012 0.000 0.209 551 G HA3 -0.213 3.755 3.960 0.012 0.000 0.209 551 G C -0.460 174.180 174.900 -0.433 0.000 0.993 551 G CA -0.606 44.321 45.100 -0.288 0.000 0.669 551 G HN 0.209 nan 8.290 nan 0.000 0.519 552 F N 1.396 121.386 119.950 0.066 0.000 2.426 552 F HA 0.728 5.263 4.527 0.012 0.000 0.348 552 F C 0.737 176.581 175.800 0.073 0.000 1.124 552 F CA -0.609 57.442 58.000 0.085 0.000 1.008 552 F CB 1.800 40.947 39.000 0.245 0.000 1.139 552 F HN 0.323 nan 8.300 nan 0.000 0.452 553 A N 2.907 125.823 122.820 0.161 0.000 2.488 553 A HA 0.484 4.811 4.320 0.012 0.000 0.249 553 A C -0.543 177.121 177.584 0.134 0.000 1.083 553 A CA -0.152 51.947 52.037 0.102 0.000 0.768 553 A CB -0.218 18.803 19.000 0.035 0.000 1.017 553 A HN 0.875 nan 8.150 nan 0.000 0.496 554 C N 2.704 122.074 119.300 0.118 0.000 2.626 554 C HA 0.555 5.022 4.460 0.012 0.000 0.310 554 C C -0.071 174.952 174.990 0.055 0.000 1.191 554 C CA -0.979 58.114 59.018 0.124 0.000 1.517 554 C CB 1.536 29.355 27.740 0.131 0.000 2.102 554 C HN 0.959 nan 8.230 nan 0.000 0.479 555 N N 0.688 119.415 118.700 0.045 0.000 2.492 555 N HA 0.707 5.454 4.740 0.012 0.000 0.289 555 N C -0.981 174.516 175.510 -0.022 0.000 1.133 555 N CA -0.292 52.759 53.050 0.001 0.000 0.961 555 N CB 1.491 39.974 38.487 -0.007 0.000 1.186 555 N HN 0.410 nan 8.380 nan 0.000 0.493 556 V N 1.366 121.238 119.914 -0.069 0.000 2.531 556 V HA 0.427 4.554 4.120 0.012 0.000 0.301 556 V C -0.394 175.595 176.094 -0.175 0.000 1.034 556 V CA -0.782 61.446 62.300 -0.121 0.000 0.865 556 V CB 1.952 33.680 31.823 -0.158 0.000 0.995 556 V HN 0.284 nan 8.190 nan 0.000 0.424 557 V N 3.608 123.400 119.914 -0.205 0.000 2.417 557 V HA 0.540 4.667 4.120 0.012 0.000 0.291 557 V C 0.342 176.214 176.094 -0.371 0.000 1.024 557 V CA -0.093 62.025 62.300 -0.305 0.000 0.861 557 V CB 1.912 33.570 31.823 -0.275 0.000 0.985 557 V HN 0.920 nan 8.190 nan 0.000 0.436 561 C N 0.999 120.335 119.300 0.060 0.000 2.781 561 C HA 0.474 4.941 4.460 0.012 0.000 0.348 561 C C 1.456 176.495 174.990 0.082 0.000 1.051 561 C CA -0.964 58.034 59.018 -0.034 0.000 1.347 561 C CB -0.895 26.681 27.740 -0.274 0.000 1.846 561 C HN 0.317 nan 8.230 nan 0.000 0.473 562 F N 3.086 123.047 119.950 0.018 0.000 2.120 562 F HA -0.151 4.383 4.527 0.012 0.000 0.300 562 F C 1.810 177.712 175.800 0.170 0.000 1.095 562 F CA 2.545 60.635 58.000 0.149 0.000 1.249 562 F CB 0.398 39.499 39.000 0.167 0.000 0.995 562 F HN 0.729 nan 8.300 nan 0.000 0.480 563 E N 0.507 120.907 120.200 0.334 0.000 2.106 563 E HA -0.172 4.185 4.350 0.012 0.000 0.192 563 E C 2.220 178.885 176.600 0.108 0.000 0.984 563 E CA 1.373 57.911 56.400 0.230 0.000 0.806 563 E CB -0.391 29.385 29.700 0.127 0.000 0.750 563 E HN 0.455 nan 8.360 nan 0.000 0.458 564 L N -0.294 120.961 121.223 0.053 0.000 2.093 564 L HA -0.125 4.222 4.340 0.012 0.000 0.208 564 L C 2.165 179.102 176.870 0.111 0.000 1.085 564 L CA 0.706 55.578 54.840 0.055 0.000 0.755 564 L CB -0.288 41.794 42.059 0.038 0.000 0.904 564 L HN 0.175 nan 8.230 nan 0.000 0.435 565 F N 1.272 121.163 119.950 -0.098 0.000 2.234 565 F HA -0.159 4.375 4.527 0.012 0.000 0.299 565 F C 2.325 178.075 175.800 -0.084 0.000 1.087 565 F CA 1.275 59.168 58.000 -0.178 0.000 1.340 565 F CB -0.262 38.476 39.000 -0.437 0.000 1.031 565 F HN 0.098 nan 8.300 nan 0.000 0.500 566 E N -0.164 120.038 120.200 0.004 0.000 2.265 566 E HA -0.199 4.158 4.350 0.012 0.000 0.196 566 E C 1.696 178.295 176.600 -0.003 0.000 0.996 566 E CA 0.965 57.385 56.400 0.033 0.000 0.832 566 E CB -0.113 29.629 29.700 0.070 0.000 0.756 566 E HN 0.440 nan 8.360 nan 0.000 0.491 567 K N 0.308 120.714 120.400 0.011 0.000 2.404 567 K HA 0.049 4.377 4.320 0.012 0.000 0.194 567 K C 0.411 177.009 176.600 -0.002 0.000 1.023 567 K CA 0.011 56.304 56.287 0.010 0.000 1.094 567 K CB 0.431 32.943 32.500 0.021 0.000 0.841 567 K HN -0.009 nan 8.250 nan 0.000 0.523 568 Q N 1.785 121.580 119.800 -0.007 0.000 2.368 568 Q HA 0.013 4.360 4.340 0.012 0.000 0.237 568 Q C -0.269 175.754 176.000 0.039 0.000 0.987 568 Q CA 0.063 55.873 55.803 0.012 0.000 0.896 568 Q CB 0.641 29.451 28.738 0.121 0.000 1.241 568 Q HN 0.252 nan 8.270 nan 0.000 0.485 569 D N -0.455 119.988 120.400 0.071 0.000 2.358 569 D HA 0.201 4.848 4.640 0.012 0.000 0.244 569 D C 0.932 177.302 176.300 0.115 0.000 1.163 569 D CA 0.077 54.124 54.000 0.079 0.000 0.945 569 D CB 0.469 41.313 40.800 0.073 0.000 1.152 569 D HN 0.455 nan 8.370 nan 0.000 0.451 570 K N 0.714 121.159 120.400 0.076 0.000 2.103 570 K HA -0.015 4.312 4.320 0.012 0.000 0.207 570 K C 2.153 178.809 176.600 0.093 0.000 1.048 570 K CA 1.883 58.209 56.287 0.066 0.000 0.930 570 K CB -1.338 31.187 32.500 0.042 0.000 0.716 570 K HN 0.645 nan 8.250 nan 0.000 0.444 571 A N -0.455 122.432 122.820 0.111 0.000 1.933 571 A HA -0.059 4.268 4.320 0.012 0.000 0.218 571 A C 2.289 179.976 177.584 0.172 0.000 1.175 571 A CA 1.825 53.932 52.037 0.117 0.000 0.628 571 A CB -0.623 18.446 19.000 0.115 0.000 0.814 571 A HN 0.742 nan 8.150 nan 0.000 0.444 572 Y N 0.446 120.825 120.300 0.132 0.000 2.163 572 Y HA -0.202 4.356 4.550 0.012 0.000 0.288 572 Y C 2.533 178.567 175.900 0.224 0.000 1.136 572 Y CA 2.235 60.466 58.100 0.219 0.000 1.147 572 Y CB -0.405 38.176 38.460 0.201 0.000 0.987 572 Y HN 0.429 nan 8.280 nan 0.000 0.509 573 Q N -0.003 119.918 119.800 0.202 0.000 2.084 573 Q HA -0.216 4.131 4.340 0.012 0.000 0.202 573 Q C 2.111 178.149 176.000 0.064 0.000 0.978 573 Q CA 1.907 57.781 55.803 0.118 0.000 0.844 573 Q CB -0.193 28.534 28.738 -0.018 0.000 0.898 573 Q HN 0.609 nan 8.270 nan 0.000 0.426 574 E N 0.435 120.664 120.200 0.050 0.000 2.110 574 E HA -0.215 4.142 4.350 0.012 0.000 0.193 574 E C 2.006 178.600 176.600 -0.009 0.000 0.988 574 E CA 0.758 57.176 56.400 0.030 0.000 0.804 574 E CB -0.039 29.679 29.700 0.030 0.000 0.745 574 E HN 0.183 nan 8.360 nan 0.000 0.458 575 R N 0.367 120.836 120.500 -0.051 0.000 2.092 575 R HA -0.142 4.205 4.340 0.012 0.000 0.231 575 R C 1.986 178.215 176.300 -0.117 0.000 1.119 575 R CA 0.872 56.898 56.100 -0.123 0.000 0.970 575 R CB 0.012 30.178 30.300 -0.223 0.000 0.864 575 R HN 0.055 nan 8.270 nan 0.000 0.440 576 L N 0.532 121.685 121.223 -0.116 0.000 2.044 576 L HA -0.002 4.345 4.340 0.012 0.000 0.205 576 L C 0.791 177.651 176.870 -0.017 0.000 1.075 576 L CA 1.331 56.119 54.840 -0.086 0.000 0.747 576 L CB -0.233 41.750 42.059 -0.127 0.000 0.903 576 L HN 0.136 nan 8.230 nan 0.000 0.435 577 L N 1.199 122.445 121.223 0.038 0.000 2.397 577 L HA 0.227 4.574 4.340 0.012 0.000 0.263 577 L C -0.169 176.751 176.870 0.083 0.000 1.136 577 L CA -0.308 54.582 54.840 0.083 0.000 1.019 577 L CB -0.197 41.943 42.059 0.135 0.000 1.352 577 L HN -0.031 nan 8.230 nan 0.000 0.420 578 K N 1.631 122.070 120.400 0.065 0.000 2.156 578 K HA 0.711 5.038 4.320 0.012 0.000 0.254 578 K C 0.641 177.282 176.600 0.069 0.000 0.950 578 K CA 0.033 56.350 56.287 0.051 0.000 0.849 578 K CB 2.136 34.642 32.500 0.011 0.000 1.100 578 K HN 0.504 nan 8.250 nan 0.000 0.434 579 G N 2.053 110.876 108.800 0.039 0.000 2.564 579 G HA2 -0.324 3.643 3.960 0.012 0.000 0.273 579 G HA3 -0.324 3.643 3.960 0.012 0.000 0.273 579 G C -0.458 174.477 174.900 0.058 0.000 1.242 579 G CA 0.015 45.110 45.100 -0.008 0.000 0.951 579 G HN 0.646 nan 8.290 nan 0.000 0.564 580 E N -0.469 119.749 120.200 0.030 0.000 2.223 580 E HA 0.471 4.829 4.350 0.012 0.000 0.282 580 E C -0.058 176.753 176.600 0.351 0.000 1.046 580 E CA -0.595 55.885 56.400 0.133 0.000 0.857 580 E CB 0.802 30.580 29.700 0.129 0.000 1.055 580 E HN 0.486 nan 8.360 nan 0.000 0.409 581 V N 6.558 126.791 119.914 0.531 0.000 2.370 581 V HA 0.309 4.437 4.120 0.012 0.000 0.279 581 V C -0.217 176.026 176.094 0.249 0.000 1.029 581 V CA -0.611 61.877 62.300 0.313 0.000 0.870 581 V CB 0.948 32.896 31.823 0.209 0.000 0.984 581 V HN 0.571 nan 8.190 nan 0.000 0.451 582 I N 4.190 124.866 120.570 0.176 0.000 2.389 582 I HA 0.627 4.804 4.170 0.012 0.000 0.288 582 I C 0.791 176.967 176.117 0.098 0.000 0.999 582 I CA 0.137 61.529 61.300 0.154 0.000 1.129 582 I CB 1.725 39.811 38.000 0.143 0.000 1.288 582 I HN 0.655 nan 8.210 nan 0.000 0.444 583 G N 5.203 114.055 108.800 0.086 0.000 2.367 583 G HA2 0.649 4.617 3.960 0.012 0.000 0.314 583 G HA3 0.649 4.617 3.960 0.012 0.000 0.314 583 G C -1.019 173.937 174.900 0.093 0.000 1.130 583 G CA -0.425 44.718 45.100 0.071 0.000 0.864 583 G HN 0.377 nan 8.290 nan 0.000 0.486 584 V N 2.065 122.044 119.914 0.107 0.000 2.524 584 V HA 0.556 4.683 4.120 0.012 0.000 0.297 584 V C -0.484 175.732 176.094 0.204 0.000 1.035 584 V CA -0.675 61.738 62.300 0.189 0.000 0.867 584 V CB 1.486 33.392 31.823 0.139 0.000 1.004 584 V HN 0.874 nan 8.190 nan 0.000 0.426 585 E N 2.375 122.742 120.200 0.278 0.000 2.354 585 E HA 0.556 4.914 4.350 0.012 0.000 0.283 585 E C -0.652 176.043 176.600 0.159 0.000 0.938 585 E CA -0.836 55.665 56.400 0.168 0.000 0.777 585 E CB 2.379 32.147 29.700 0.114 0.000 1.222 585 E HN 0.767 nan 8.360 nan 0.000 0.423 586 A N 2.088 124.852 122.820 -0.094 0.000 3.037 586 A HA 0.595 4.923 4.320 0.012 0.000 0.272 586 A C -0.195 177.353 177.584 -0.060 0.000 1.723 586 A CA 0.624 52.510 52.037 -0.252 0.000 1.413 586 A CB -0.594 18.165 19.000 -0.401 0.000 1.112 586 A HN 0.502 nan 8.150 nan 0.000 0.606 587 A N 0.403 123.242 122.820 0.031 0.000 2.566 587 A HA 0.573 4.901 4.320 0.012 0.000 0.290 587 A C -0.847 176.795 177.584 0.098 0.000 1.071 587 A CA -0.586 51.475 52.037 0.041 0.000 0.658 587 A CB 0.445 19.481 19.000 0.061 0.000 1.285 587 A HN 0.692 nan 8.150 nan 0.000 0.427 588 H N 1.662 120.701 119.070 -0.053 0.000 2.741 588 H HA 0.468 5.032 4.556 0.012 0.000 0.261 588 H C -0.442 174.864 175.328 -0.036 0.000 1.365 588 H CA 0.328 56.345 56.048 -0.053 0.000 1.266 588 H CB 0.373 30.073 29.762 -0.102 0.000 1.485 588 H HN 0.543 nan 8.280 nan 0.000 0.529 589 S N 2.928 118.607 115.700 -0.034 0.000 2.080 589 S HA 0.120 4.597 4.470 0.012 0.000 0.162 589 S C 0.507 175.059 174.600 -0.079 0.000 1.618 589 S CA -0.886 57.264 58.200 -0.082 0.000 1.200 589 S CB 0.107 63.297 63.200 -0.018 0.000 1.135 589 S HN 0.722 nan 8.310 nan 0.000 0.455 590 N N 2.434 121.049 118.700 -0.142 0.000 2.381 590 N HA -0.144 4.604 4.740 0.012 0.000 0.182 590 N C 1.981 177.555 175.510 0.106 0.000 1.025 590 N CA 0.923 54.004 53.050 0.053 0.000 0.888 590 N CB 0.028 38.508 38.487 -0.012 0.000 0.965 590 N HN 0.718 nan 8.380 nan 0.000 0.438 591 E N 1.701 121.884 120.200 -0.028 0.000 2.267 591 E HA -0.211 4.147 4.350 0.012 0.000 0.197 591 E C 1.595 178.320 176.600 0.209 0.000 0.998 591 E CA 0.887 57.282 56.400 -0.007 0.000 0.830 591 E CB -0.573 28.934 29.700 -0.321 0.000 0.751 591 E HN 0.502 nan 8.360 nan 0.000 0.491 592 L N -0.172 121.156 121.223 0.175 0.000 2.362 592 L HA -0.113 4.235 4.340 0.012 0.000 0.219 592 L C 2.006 178.945 176.870 0.114 0.000 1.134 592 L CA 0.786 55.784 54.840 0.262 0.000 0.807 592 L CB -0.606 41.523 42.059 0.117 0.000 0.927 592 L HN 0.019 nan 8.230 nan 0.000 0.447 593 Y N 0.252 120.617 120.300 0.108 0.000 2.483 593 Y HA -0.261 4.297 4.550 0.012 0.000 0.291 593 Y C 2.532 178.404 175.900 -0.046 0.000 1.143 593 Y CA 1.137 59.261 58.100 0.040 0.000 1.289 593 Y CB -0.424 38.050 38.460 0.023 0.000 0.983 593 Y HN 0.143 nan 8.280 nan 0.000 0.556 594 K N -0.547 119.858 120.400 0.009 0.000 2.147 594 K HA -0.164 4.163 4.320 0.012 0.000 0.205 594 K C 0.561 176.841 176.600 -0.534 0.000 1.049 594 K CA 1.625 57.706 56.287 -0.343 0.000 0.936 594 K CB -0.154 31.990 32.500 -0.594 0.000 0.722 594 K HN 0.267 nan 8.250 nan 0.000 0.446 595 F N -1.083 118.883 119.950 0.028 0.000 2.767 595 F HA 0.247 4.782 4.527 0.012 0.000 0.323 595 F C 0.090 175.866 175.800 -0.041 0.000 1.091 595 F CA -0.709 57.286 58.000 -0.009 0.000 1.192 595 F CB 0.600 39.648 39.000 0.081 0.000 1.056 595 F HN -0.125 nan 8.300 nan 0.000 0.571 596 C N -0.046 119.304 119.300 0.082 0.000 2.563 596 C HA 0.366 4.834 4.460 0.012 0.000 0.314 596 C C 1.583 176.548 174.990 -0.041 0.000 1.199 596 C CA -0.628 58.391 59.018 0.002 0.000 1.564 596 C CB 1.127 28.884 27.740 0.028 0.000 2.173 596 C HN 0.383 nan 8.230 nan 0.000 0.485 597 H N 0.441 119.613 119.070 0.170 0.000 2.436 597 H HA 0.072 4.635 4.556 0.012 0.000 0.294 597 H C 0.215 175.700 175.328 0.261 0.000 1.048 597 H CA 0.954 57.124 56.048 0.205 0.000 1.353 597 H CB 0.355 30.208 29.762 0.152 0.000 1.414 597 H HN 0.572 nan 8.280 nan 0.000 0.536 598 K N 0.715 121.296 120.400 0.301 0.000 2.426 598 K HA 0.536 4.863 4.320 0.012 0.000 0.251 598 K C -1.130 175.527 176.600 0.094 0.000 0.941 598 K CA -0.663 55.799 56.287 0.292 0.000 0.808 598 K CB 3.654 36.374 32.500 0.367 0.000 1.265 598 K HN -0.242 nan 8.250 nan 0.000 0.432 599 V N 2.449 122.374 119.914 0.018 0.000 2.483 599 V HA 0.226 4.353 4.120 0.012 0.000 0.297 599 V C -1.512 174.604 176.094 0.036 0.000 1.027 599 V CA -0.817 61.424 62.300 -0.099 0.000 0.855 599 V CB 1.242 32.800 31.823 -0.441 0.000 0.995 599 V HN 0.694 nan 8.190 nan 0.000 0.424 600 Y N 4.346 124.550 120.300 -0.159 0.000 2.854 600 Y HA 0.728 5.285 4.550 0.012 0.000 0.330 600 Y C 0.524 176.360 175.900 -0.107 0.000 1.037 600 Y CA -0.055 57.829 58.100 -0.360 0.000 1.263 600 Y CB 0.862 38.992 38.460 -0.549 0.000 1.120 600 Y HN 0.745 nan 8.280 nan 0.000 0.532 601 G N 3.827 112.553 108.800 -0.123 0.000 3.262 601 G HA2 0.571 4.538 3.960 0.012 0.000 0.229 601 G HA3 0.571 4.538 3.960 0.012 0.000 0.229 601 G C -1.410 173.528 174.900 0.063 0.000 1.280 601 G CA -0.913 44.249 45.100 0.103 0.000 0.951 601 G HN 0.360 nan 8.290 nan 0.000 0.589 602 I N 0.247 120.882 120.570 0.108 0.000 2.436 602 I HA 0.331 4.508 4.170 0.012 0.000 0.289 602 I C 0.047 176.089 176.117 -0.125 0.000 1.010 602 I CA -0.291 61.022 61.300 0.022 0.000 1.098 602 I CB 2.539 40.507 38.000 -0.054 0.000 1.266 602 I HN 0.608 nan 8.210 nan 0.000 0.434 603 E N 3.109 123.190 120.200 -0.198 0.000 2.498 603 E HA 0.076 4.433 4.350 0.012 0.000 0.203 603 E C 0.239 176.568 176.600 -0.451 0.000 1.013 603 E CA -0.036 56.072 56.400 -0.486 0.000 0.927 603 E CB 0.773 30.302 29.700 -0.285 0.000 1.012 603 E HN 0.728 nan 8.360 nan 0.000 0.482 604 S N -0.729 114.810 115.700 -0.267 0.000 2.806 604 S HA 0.509 4.987 4.470 0.012 0.000 0.315 604 S C -0.178 174.233 174.600 -0.315 0.000 1.127 604 S CA -0.902 57.154 58.200 -0.241 0.000 0.918 604 S CB 0.740 63.957 63.200 0.027 0.000 1.240 604 S HN -0.081 nan 8.310 nan 0.000 0.552 605 F N 0.913 120.831 119.950 -0.053 0.000 2.399 605 F HA 0.585 5.119 4.527 0.013 0.000 0.313 605 F C 1.632 177.383 175.800 -0.081 0.000 1.202 605 F CA 0.548 58.498 58.000 -0.083 0.000 1.192 605 F CB 0.063 39.036 39.000 -0.044 0.000 1.256 605 F HN 0.937 nan 8.300 nan 0.000 0.558 606 G N -0.492 108.353 108.800 0.075 0.000 2.504 606 G HA2 0.486 4.454 3.960 0.012 0.000 0.257 606 G HA3 0.486 4.454 3.960 0.012 0.000 0.257 606 G C -0.944 174.065 174.900 0.183 0.000 1.451 606 G CA -0.358 44.691 45.100 -0.086 0.000 1.059 606 G HN 0.434 nan 8.290 nan 0.000 0.550 607 E N -1.172 119.129 120.200 0.168 0.000 2.366 607 E HA 0.327 4.684 4.350 0.012 0.000 0.278 607 E C -1.155 175.486 176.600 0.068 0.000 0.923 607 E CA -0.650 55.845 56.400 0.158 0.000 0.761 607 E CB 1.923 31.762 29.700 0.232 0.000 1.231 607 E HN 0.330 nan 8.360 nan 0.000 0.443 608 S N 0.831 116.553 115.700 0.037 0.000 2.448 608 S HA 0.664 5.141 4.470 0.012 0.000 0.279 608 S C -0.049 174.558 174.600 0.013 0.000 1.195 608 S CA 0.398 58.602 58.200 0.007 0.000 1.051 608 S CB 0.032 63.229 63.200 -0.005 0.000 0.948 608 S HN 0.627 nan 8.310 nan 0.000 0.493 609 G N 3.809 112.611 108.800 0.003 0.000 2.441 609 G HA2 0.300 4.268 3.960 0.012 0.000 0.294 609 G HA3 0.300 4.268 3.960 0.012 0.000 0.294 609 G C -1.713 173.188 174.900 0.001 0.000 1.393 609 G CA -1.026 44.079 45.100 0.008 0.000 0.796 609 G HN 0.659 nan 8.290 nan 0.000 0.494 610 K N 0.613 121.021 120.400 0.012 0.000 2.524 610 K HA 0.039 4.366 4.320 0.012 0.000 0.279 610 K C 1.187 177.802 176.600 0.024 0.000 0.993 610 K CA 0.536 56.834 56.287 0.019 0.000 1.030 610 K CB 0.917 33.435 32.500 0.030 0.000 0.891 610 K HN 0.659 nan 8.250 nan 0.000 0.488 611 D N 3.791 124.204 120.400 0.021 0.000 2.133 611 D HA -0.257 4.390 4.640 0.012 0.000 0.192 611 D C 0.898 177.296 176.300 0.163 0.000 1.001 611 D CA 1.751 55.768 54.000 0.029 0.000 0.844 611 D CB -0.036 40.811 40.800 0.078 0.000 0.944 611 D HN 0.435 nan 8.370 nan 0.000 0.447 612 K N 0.028 120.534 120.400 0.177 0.000 2.097 612 K HA -0.105 4.223 4.320 0.012 0.000 0.205 612 K C 1.703 178.416 176.600 0.187 0.000 1.050 612 K CA 1.309 57.725 56.287 0.216 0.000 0.938 612 K CB -0.091 32.488 32.500 0.132 0.000 0.718 612 K HN 0.177 nan 8.250 nan 0.000 0.442 613 D N 0.663 121.135 120.400 0.120 0.000 2.097 613 D HA -0.117 4.531 4.640 0.012 0.000 0.195 613 D C 2.019 178.390 176.300 0.119 0.000 0.989 613 D CA 0.879 54.937 54.000 0.096 0.000 0.827 613 D CB -0.234 40.601 40.800 0.058 0.000 0.966 613 D HN -0.084 nan 8.370 nan 0.000 0.456 614 V N 0.578 120.556 119.914 0.106 0.000 2.358 614 V HA -0.205 3.922 4.120 0.012 0.000 0.246 614 V C 2.167 178.419 176.094 0.263 0.000 1.047 614 V CA 1.143 63.529 62.300 0.143 0.000 1.035 614 V CB -0.568 31.261 31.823 0.010 0.000 0.658 614 V HN 0.041 nan 8.190 nan 0.000 0.452 615 F N 0.800 120.885 119.950 0.226 0.000 2.126 615 F HA -0.170 4.364 4.527 0.012 0.000 0.299 615 F C 2.480 178.475 175.800 0.326 0.000 1.096 615 F CA 1.987 60.163 58.000 0.293 0.000 1.255 615 F CB -0.488 38.622 39.000 0.184 0.000 0.997 615 F HN 0.207 nan 8.300 nan 0.000 0.479 616 E N 0.508 120.938 120.200 0.383 0.000 2.072 616 E HA -0.219 4.139 4.350 0.012 0.000 0.191 616 E C 2.265 178.946 176.600 0.136 0.000 0.985 616 E CA 1.173 57.710 56.400 0.228 0.000 0.801 616 E CB -0.165 29.623 29.700 0.147 0.000 0.750 616 E HN 0.139 nan 8.360 nan 0.000 0.452 617 R N -0.556 119.994 120.500 0.084 0.000 2.105 617 R HA -0.094 4.254 4.340 0.012 0.000 0.239 617 R C 1.405 177.542 176.300 -0.272 0.000 1.135 617 R CA 1.637 57.667 56.100 -0.118 0.000 0.967 617 R CB -0.734 29.454 30.300 -0.187 0.000 0.861 617 R HN 0.255 nan 8.270 nan 0.000 0.442 618 F N -0.511 119.509 119.950 0.117 0.000 2.732 618 F HA 0.332 4.867 4.527 0.012 0.000 0.303 618 F C 1.492 177.246 175.800 -0.077 0.000 1.110 618 F CA 0.698 58.754 58.000 0.094 0.000 1.355 618 F CB 0.794 39.945 39.000 0.251 0.000 1.081 618 F HN 0.361 nan 8.300 nan 0.000 0.565 619 G N -0.451 108.378 108.800 0.048 0.000 2.159 619 G HA2 -0.294 3.674 3.960 0.012 0.000 0.227 619 G HA3 -0.294 3.674 3.960 0.012 0.000 0.227 619 G C 0.146 174.994 174.900 -0.087 0.000 0.986 619 G CA -0.582 44.462 45.100 -0.093 0.000 0.651 619 G HN 0.201 nan 8.290 nan 0.000 0.523 620 F N 3.016 123.139 119.950 0.288 0.000 2.626 620 F HA 0.553 5.087 4.527 0.012 0.000 0.353 620 F C 1.019 176.888 175.800 0.115 0.000 1.230 620 F CA 0.159 58.302 58.000 0.237 0.000 1.298 620 F CB 0.568 39.731 39.000 0.271 0.000 1.670 620 F HN 0.344 nan 8.300 nan 0.000 0.633 621 S N -1.006 114.781 115.700 0.144 0.000 2.564 621 S HA 0.484 4.961 4.470 0.012 0.000 0.274 621 S C 0.384 174.996 174.600 0.020 0.000 1.124 621 S CA -0.869 57.381 58.200 0.082 0.000 0.869 621 S CB 1.563 64.808 63.200 0.076 0.000 1.105 621 S HN -0.006 nan 8.310 nan 0.000 0.472 622 V N 2.375 122.298 119.914 0.016 0.000 2.287 622 V HA -0.161 3.966 4.120 0.012 0.000 0.248 622 V C 2.688 178.766 176.094 -0.027 0.000 1.053 622 V CA 2.618 64.912 62.300 -0.010 0.000 1.027 622 V CB -1.305 30.526 31.823 0.013 0.000 0.646 622 V HN 0.949 nan 8.190 nan 0.000 0.447 623 S N -0.526 115.171 115.700 -0.004 0.000 2.359 623 S HA -0.230 4.247 4.470 0.012 0.000 0.224 623 S C 1.996 176.587 174.600 -0.014 0.000 1.035 623 S CA 1.679 59.876 58.200 -0.005 0.000 1.018 623 S CB -0.277 62.929 63.200 0.011 0.000 0.876 623 S HN 0.603 nan 8.310 nan 0.000 0.448 624 K N 0.441 120.837 120.400 -0.006 0.000 2.097 624 K HA 0.017 4.344 4.320 0.012 0.000 0.205 624 K C 2.082 178.641 176.600 -0.068 0.000 1.050 624 K CA 0.807 57.100 56.287 0.010 0.000 0.938 624 K CB -0.275 32.260 32.500 0.057 0.000 0.718 624 K HN 0.168 nan 8.250 nan 0.000 0.442 625 L N 0.888 121.980 121.223 -0.218 0.000 2.109 625 L HA -0.107 4.240 4.340 0.012 0.000 0.207 625 L C 1.937 178.658 176.870 -0.250 0.000 1.086 625 L CA 1.376 55.924 54.840 -0.486 0.000 0.760 625 L CB -0.215 41.539 42.059 -0.508 0.000 0.910 625 L HN -0.123 nan 8.230 nan 0.000 0.437 626 V N 0.401 120.214 119.914 -0.168 0.000 2.295 626 V HA -0.284 3.844 4.120 0.012 0.000 0.246 626 V C 2.393 178.408 176.094 -0.131 0.000 1.049 626 V CA 1.886 64.092 62.300 -0.157 0.000 1.024 626 V CB -0.928 30.836 31.823 -0.099 0.000 0.648 626 V HN 0.510 nan 8.190 nan 0.000 0.447 627 N N -0.256 118.407 118.700 -0.062 0.000 2.149 627 N HA -0.181 4.566 4.740 0.012 0.000 0.188 627 N C 1.642 177.144 175.510 -0.014 0.000 1.019 627 N CA 1.574 54.607 53.050 -0.028 0.000 0.857 627 N CB -0.512 37.982 38.487 0.013 0.000 0.997 627 N HN 0.556 nan 8.380 nan 0.000 0.426 628 F N 1.473 121.344 119.950 -0.132 0.000 2.102 628 F HA -0.015 4.519 4.527 0.012 0.000 0.298 628 F C 2.096 177.795 175.800 -0.170 0.000 1.105 628 F CA 1.039 58.979 58.000 -0.100 0.000 1.239 628 F CB -0.279 38.679 39.000 -0.070 0.000 0.991 628 F HN -0.086 nan 8.300 nan 0.000 0.474 629 I N 0.183 120.630 120.570 -0.205 0.000 2.286 629 I HA -0.289 3.888 4.170 0.012 0.000 0.248 629 I C 1.841 177.637 176.117 -0.535 0.000 1.115 629 I CA 1.140 62.160 61.300 -0.467 0.000 1.392 629 I CB -0.388 37.237 38.000 -0.625 0.000 1.065 629 I HN 0.153 nan 8.210 nan 0.000 0.418 630 L N 0.750 121.739 121.223 -0.389 0.000 2.612 630 L HA 0.073 4.421 4.340 0.012 0.000 0.230 630 L C 0.912 177.677 176.870 -0.175 0.000 1.140 630 L CA 0.092 54.764 54.840 -0.279 0.000 0.896 630 L CB -0.449 41.478 42.059 -0.220 0.000 1.065 630 L HN 0.428 nan 8.230 nan 0.000 0.447 631 S N -0.776 114.786 115.700 -0.231 0.000 3.550 631 S HA -0.200 4.277 4.470 0.012 0.000 0.372 631 S C -0.056 174.484 174.600 -0.100 0.000 0.966 631 S CA 1.030 59.112 58.200 -0.196 0.000 1.229 631 S CB -2.135 60.965 63.200 -0.166 0.000 0.917 631 S HN 0.757 nan 8.310 nan 0.000 0.496 632 K N 0.000 120.357 120.400 -0.072 0.000 2.780 632 K HA 0.000 4.327 4.320 0.012 0.000 0.191 632 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 632 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 632 K HN 0.000 nan 8.250 nan 0.000 0.543