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 3m6l_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 0.000 175.417 175.510 -0.156 0.000 1.280 2 N CA 0.000 52.977 53.050 -0.121 0.000 0.885 2 N CB 0.000 38.445 38.487 -0.070 0.000 1.341 3 I N 0.882 121.390 120.570 -0.105 0.000 2.546 3 I HA -0.118 4.038 4.170 -0.023 0.000 0.255 3 I C 2.373 178.415 176.117 -0.125 0.000 1.163 3 I CA 1.372 62.599 61.300 -0.122 0.000 1.457 3 I CB -1.403 36.614 38.000 0.029 0.000 1.092 3 I HN 0.534 nan 8.210 nan 0.000 0.434 4 Q N 0.093 119.854 119.800 -0.066 0.000 2.046 4 Q HA -0.147 4.180 4.340 -0.023 0.000 0.200 4 Q C 2.279 178.249 176.000 -0.051 0.000 0.975 4 Q CA 1.394 57.178 55.803 -0.032 0.000 0.836 4 Q CB -0.475 28.256 28.738 -0.011 0.000 0.896 4 Q HN 0.411 nan 8.270 nan 0.000 0.428 5 I N -0.025 120.499 120.570 -0.076 0.000 2.252 5 I HA -0.182 3.974 4.170 -0.023 0.000 0.245 5 I C 1.646 177.690 176.117 -0.121 0.000 1.102 5 I CA 1.272 62.531 61.300 -0.069 0.000 1.385 5 I CB -0.143 37.825 38.000 -0.052 0.000 1.064 5 I HN 0.168 nan 8.210 nan 0.000 0.414 6 L N -0.141 120.933 121.223 -0.248 0.000 2.083 6 L HA -0.228 4.098 4.340 -0.023 0.000 0.209 6 L C 2.601 179.234 176.870 -0.395 0.000 1.083 6 L CA 1.665 56.258 54.840 -0.411 0.000 0.752 6 L CB -0.749 40.845 42.059 -0.774 0.000 0.899 6 L HN 0.405 nan 8.230 nan 0.000 0.433 7 Q N 0.296 119.903 119.800 -0.321 0.000 2.061 7 Q HA -0.294 4.032 4.340 -0.023 0.000 0.204 7 Q C 2.161 178.224 176.000 0.106 0.000 0.984 7 Q CA 2.039 57.835 55.803 -0.012 0.000 0.846 7 Q CB -0.056 28.728 28.738 0.078 0.000 0.902 7 Q HN 0.490 nan 8.270 nan 0.000 0.421 8 E N -0.168 120.095 120.200 0.104 0.000 2.077 8 E HA -0.248 4.089 4.350 -0.023 0.000 0.193 8 E C 2.070 178.825 176.600 0.257 0.000 0.989 8 E CA 1.277 57.813 56.400 0.227 0.000 0.800 8 E CB 0.037 29.826 29.700 0.149 0.000 0.746 8 E HN 0.472 nan 8.360 nan 0.000 0.452 9 Q N -0.211 119.673 119.800 0.141 0.000 2.050 9 Q HA -0.166 4.161 4.340 -0.023 0.000 0.202 9 Q C 2.203 178.405 176.000 0.336 0.000 0.980 9 Q CA 1.420 57.355 55.803 0.220 0.000 0.840 9 Q CB -0.162 28.515 28.738 -0.102 0.000 0.898 9 Q HN 0.327 nan 8.270 nan 0.000 0.424 10 A N 1.450 124.394 122.820 0.205 0.000 1.902 10 A HA -0.208 4.098 4.320 -0.023 0.000 0.217 10 A C 1.739 179.344 177.584 0.035 0.000 1.181 10 A CA 1.573 53.714 52.037 0.172 0.000 0.623 10 A CB -0.477 18.657 19.000 0.224 0.000 0.818 10 A HN 0.308 nan 8.150 nan 0.000 0.443 11 N N -0.226 118.483 118.700 0.015 0.000 2.244 11 N HA -0.092 4.635 4.740 -0.023 0.000 0.183 11 N C 1.680 177.010 175.510 -0.299 0.000 1.016 11 N CA 1.740 54.626 53.050 -0.274 0.000 0.866 11 N CB -0.766 37.630 38.487 -0.151 0.000 0.980 11 N HN 0.501 nan 8.380 nan 0.000 0.430 12 T N 2.009 116.656 114.554 0.155 0.000 2.708 12 T HA -0.031 4.306 4.350 -0.023 0.000 0.266 12 T C 2.169 176.922 174.700 0.088 0.000 1.037 12 T CA 0.771 63.042 62.100 0.286 0.000 1.146 12 T CB -0.297 68.821 68.868 0.417 0.000 0.865 12 T HN 0.132 nan 8.240 nan 0.000 0.435 13 L N 0.413 121.677 121.223 0.067 0.000 2.012 13 L HA -0.127 4.199 4.340 -0.023 0.000 0.210 13 L C 2.916 179.711 176.870 -0.125 0.000 1.073 13 L CA 1.488 56.321 54.840 -0.012 0.000 0.748 13 L CB -0.559 41.527 42.059 0.044 0.000 0.891 13 L HN 0.168 nan 8.230 nan 0.000 0.431 14 R N -0.536 119.798 120.500 -0.277 0.000 2.094 14 R HA -0.202 4.125 4.340 -0.023 0.000 0.239 14 R C 2.231 178.283 176.300 -0.412 0.000 1.137 14 R CA 1.792 57.620 56.100 -0.452 0.000 0.943 14 R CB -0.537 29.270 30.300 -0.823 0.000 0.850 14 R HN 0.213 nan 8.270 nan 0.000 0.433 15 F N 0.529 120.362 119.950 -0.196 0.000 2.367 15 F HA 0.030 4.543 4.527 -0.023 0.000 0.298 15 F C 2.164 177.835 175.800 -0.215 0.000 1.094 15 F CA 0.462 58.329 58.000 -0.222 0.000 1.409 15 F CB -0.556 38.258 39.000 -0.310 0.000 1.064 15 F HN -0.067 nan 8.300 nan 0.000 0.528 16 L N -0.863 120.346 121.223 -0.023 0.000 2.017 16 L HA -0.245 4.082 4.340 -0.023 0.000 0.208 16 L C 2.502 179.261 176.870 -0.185 0.000 1.073 16 L CA 1.463 56.236 54.840 -0.112 0.000 0.745 16 L CB -0.896 41.161 42.059 -0.003 0.000 0.894 16 L HN 0.064 nan 8.230 nan 0.000 0.432 17 S N -0.056 115.554 115.700 -0.151 0.000 2.356 17 S HA -0.192 4.264 4.470 -0.023 0.000 0.223 17 S C 2.165 176.659 174.600 -0.177 0.000 1.032 17 S CA 1.302 59.391 58.200 -0.186 0.000 1.005 17 S CB -0.351 62.758 63.200 -0.151 0.000 0.867 17 S HN 0.511 nan 8.310 nan 0.000 0.449 18 A N 1.797 124.545 122.820 -0.121 0.000 1.898 18 A HA -0.047 4.260 4.320 -0.023 0.000 0.216 18 A C 1.049 178.571 177.584 -0.103 0.000 1.181 18 A CA 0.920 52.916 52.037 -0.067 0.000 0.620 18 A CB -0.530 18.482 19.000 0.020 0.000 0.819 18 A HN 0.350 nan 8.150 nan 0.000 0.442 22 Q N 1.540 121.390 119.800 0.084 0.000 2.079 22 Q HA -0.128 4.199 4.340 -0.023 0.000 0.200 22 Q C 1.982 178.046 176.000 0.106 0.000 0.974 22 Q CA 2.552 58.397 55.803 0.069 0.000 0.840 22 Q CB -0.209 28.546 28.738 0.027 0.000 0.898 22 Q HN 0.629 nan 8.270 nan 0.000 0.430 23 K N -0.944 119.553 120.400 0.161 0.000 2.057 23 K HA -0.051 4.255 4.320 -0.023 0.000 0.206 23 K C 1.765 178.463 176.600 0.164 0.000 1.050 23 K CA 1.158 57.560 56.287 0.193 0.000 0.935 23 K CB -0.260 32.432 32.500 0.319 0.000 0.715 23 K HN 0.221 nan 8.250 nan 0.000 0.439 24 A N 1.228 124.174 122.820 0.210 0.000 2.121 24 A HA -0.138 4.168 4.320 -0.023 0.000 0.218 24 A C 0.813 178.447 177.584 0.083 0.000 1.154 24 A CA 1.196 53.323 52.037 0.151 0.000 0.679 24 A CB -0.585 18.533 19.000 0.195 0.000 0.795 24 A HN 0.691 nan 8.150 nan 0.000 0.458 25 N N -1.156 117.596 118.700 0.086 0.000 2.721 25 N HA -0.170 4.556 4.740 -0.023 0.000 0.249 25 N C -0.394 175.132 175.510 0.027 0.000 1.072 25 N CA 1.137 54.216 53.050 0.049 0.000 0.710 25 N CB -1.404 37.101 38.487 0.031 0.000 0.993 25 N HN 0.579 nan 8.380 nan 0.000 0.547 26 S N -1.638 114.088 115.700 0.043 0.000 2.556 26 S HA 0.685 5.142 4.470 -0.023 0.000 0.280 26 S C -0.188 174.437 174.600 0.041 0.000 1.141 26 S CA 0.703 58.899 58.200 -0.005 0.000 0.883 26 S CB 1.087 64.258 63.200 -0.047 0.000 1.103 26 S HN 1.311 nan 8.310 nan 0.000 0.453 27 G N 2.980 111.745 108.800 -0.058 0.000 2.331 27 G HA2 0.175 4.122 3.960 -0.023 0.000 0.479 27 G HA3 0.175 4.122 3.960 -0.023 0.000 0.479 27 G C -1.931 172.854 174.900 -0.193 0.000 1.262 27 G CA -0.708 44.402 45.100 0.017 0.000 1.029 27 G HN 1.020 nan 8.290 nan 0.000 0.487 28 H N 1.189 120.316 119.070 0.095 0.000 2.887 28 H HA 0.527 5.070 4.556 -0.023 0.000 0.300 28 H C -1.707 173.620 175.328 -0.002 0.000 1.038 28 H CA -1.156 54.885 56.048 -0.011 0.000 1.352 28 H CB 2.313 32.073 29.762 -0.002 0.000 1.473 28 H HN 0.352 nan 8.280 nan 0.000 0.503 29 P HA 0.044 nan 4.420 nan 0.000 0.238 29 P C 1.555 178.866 177.300 0.018 0.000 1.183 29 P CA 0.556 63.668 63.100 0.019 0.000 0.813 29 P CB 0.627 32.327 31.700 -0.000 0.000 0.944 30 G N 1.238 110.063 108.800 0.042 0.000 2.421 30 G HA2 -0.219 3.727 3.960 -0.023 0.000 0.216 30 G HA3 -0.219 3.727 3.960 -0.023 0.000 0.216 30 G C 1.760 176.697 174.900 0.062 0.000 1.171 30 G CA 1.113 46.247 45.100 0.056 0.000 0.775 30 G HN 0.322 nan 8.290 nan 0.000 0.543 31 A N 1.475 124.350 122.820 0.092 0.000 1.898 31 A HA 0.128 4.435 4.320 -0.023 0.000 0.216 31 A C 0.756 178.335 177.584 -0.008 0.000 1.181 31 A CA 1.818 53.887 52.037 0.054 0.000 0.620 31 A CB -1.103 17.923 19.000 0.043 0.000 0.819 31 A HN 0.354 nan 8.150 nan 0.000 0.442 32 P HA -0.151 nan 4.420 nan 0.000 0.215 32 P C 1.327 178.599 177.300 -0.048 0.000 1.157 32 P CA 0.919 63.999 63.100 -0.035 0.000 0.874 32 P CB -0.062 31.607 31.700 -0.052 0.000 0.790 33 L N -1.098 120.094 121.223 -0.051 0.000 2.093 33 L HA -0.033 4.293 4.340 -0.023 0.000 0.208 33 L C 2.473 179.333 176.870 -0.016 0.000 1.085 33 L CA 2.159 56.955 54.840 -0.073 0.000 0.755 33 L CB -1.799 40.211 42.059 -0.082 0.000 0.904 33 L HN 0.008 nan 8.230 nan 0.000 0.435 34 G N -1.494 107.318 108.800 0.021 0.000 2.484 34 G HA2 -0.108 3.838 3.960 -0.023 0.000 0.218 34 G HA3 -0.108 3.838 3.960 -0.023 0.000 0.218 34 G C 1.481 176.401 174.900 0.033 0.000 1.130 34 G CA 0.250 45.404 45.100 0.091 0.000 0.784 34 G HN 0.343 nan 8.290 nan 0.000 0.543 35 L N 0.320 121.522 121.223 -0.035 0.000 2.607 35 L HA 0.287 4.613 4.340 -0.023 0.000 0.228 35 L C 2.926 179.760 176.870 -0.060 0.000 1.123 35 L CA 0.292 55.076 54.840 -0.094 0.000 0.890 35 L CB 0.206 42.175 42.059 -0.150 0.000 1.103 35 L HN 0.235 nan 8.230 nan 0.000 0.468 36 A N 0.246 123.060 122.820 -0.010 0.000 1.933 36 A HA -0.197 4.109 4.320 -0.023 0.000 0.218 36 A C 1.842 179.481 177.584 0.092 0.000 1.175 36 A CA 1.703 53.755 52.037 0.024 0.000 0.628 36 A CB -0.245 18.748 19.000 -0.011 0.000 0.814 36 A HN 0.335 nan 8.150 nan 0.000 0.444 37 D N 0.066 120.533 120.400 0.112 0.000 2.117 37 D HA -0.094 4.532 4.640 -0.023 0.000 0.198 37 D C 1.908 178.284 176.300 0.127 0.000 0.982 37 D CA 1.164 55.284 54.000 0.201 0.000 0.828 37 D CB -0.338 40.499 40.800 0.062 0.000 0.967 37 D HN 0.507 nan 8.370 nan 0.000 0.464 38 I N 0.687 121.245 120.570 -0.019 0.000 2.127 38 I HA -0.264 3.892 4.170 -0.023 0.000 0.241 38 I C 2.413 178.501 176.117 -0.048 0.000 1.075 38 I CA 0.669 61.929 61.300 -0.067 0.000 1.334 38 I CB -0.132 37.773 38.000 -0.158 0.000 1.040 38 I HN -0.014 nan 8.210 nan 0.000 0.405 39 L N 0.216 121.398 121.223 -0.067 0.000 2.083 39 L HA -0.171 4.155 4.340 -0.023 0.000 0.209 39 L C 2.606 179.493 176.870 0.029 0.000 1.083 39 L CA 1.737 56.510 54.840 -0.112 0.000 0.752 39 L CB -0.677 41.298 42.059 -0.139 0.000 0.899 39 L HN 0.111 nan 8.230 nan 0.000 0.433 40 S N -0.921 114.881 115.700 0.169 0.000 2.368 40 S HA -0.223 4.233 4.470 -0.023 0.000 0.226 40 S C 1.962 176.737 174.600 0.291 0.000 1.044 40 S CA 1.748 60.115 58.200 0.278 0.000 1.062 40 S CB -0.620 62.731 63.200 0.252 0.000 0.931 40 S HN 0.373 nan 8.310 nan 0.000 0.440 41 V N 1.655 121.711 119.914 0.236 0.000 2.343 41 V HA -0.114 3.992 4.120 -0.023 0.000 0.247 41 V C 2.231 178.514 176.094 0.316 0.000 1.051 41 V CA 1.464 63.920 62.300 0.259 0.000 1.036 41 V CB -0.731 31.195 31.823 0.172 0.000 0.654 41 V HN 0.349 nan 8.190 nan 0.000 0.451 42 L N 1.445 122.736 121.223 0.114 0.000 2.187 42 L HA -0.152 4.174 4.340 -0.023 0.000 0.213 42 L C 2.681 179.586 176.870 0.059 0.000 1.100 42 L CA 2.294 57.127 54.840 -0.011 0.000 0.765 42 L CB -0.805 41.102 42.059 -0.254 0.000 0.904 42 L HN 0.535 nan 8.230 nan 0.000 0.437 43 S N -1.886 113.885 115.700 0.117 0.000 2.419 43 S HA -0.253 4.203 4.470 -0.023 0.000 0.235 43 S C 1.937 176.599 174.600 0.103 0.000 1.019 43 S CA 1.272 59.590 58.200 0.198 0.000 0.982 43 S CB -1.007 62.427 63.200 0.390 0.000 0.789 43 S HN 0.590 nan 8.310 nan 0.000 0.490 44 Y N 0.801 121.156 120.300 0.090 0.000 2.457 44 Y HA 0.120 4.656 4.550 -0.023 0.000 0.292 44 Y C 2.745 178.569 175.900 -0.126 0.000 1.125 44 Y CA 1.195 59.277 58.100 -0.030 0.000 1.254 44 Y CB -0.146 38.243 38.460 -0.119 0.000 1.012 44 Y HN 0.457 nan 8.280 nan 0.000 0.555 45 H N -1.539 117.631 119.070 0.166 0.000 2.553 45 H HA 0.102 4.644 4.556 -0.023 0.000 0.276 45 H C 0.423 175.830 175.328 0.131 0.000 0.979 45 H CA -0.049 56.074 56.048 0.124 0.000 1.268 45 H CB 0.188 29.985 29.762 0.058 0.000 1.450 45 H HN 0.080 nan 8.280 nan 0.000 0.527 46 L N 3.264 124.595 121.223 0.179 0.000 2.513 46 L HA 0.010 4.336 4.340 -0.023 0.000 0.272 46 L C 0.075 177.150 176.870 0.340 0.000 1.187 46 L CA 0.244 55.185 54.840 0.168 0.000 0.895 46 L CB 0.341 42.380 42.059 -0.034 0.000 1.147 46 L HN -0.143 nan 8.230 nan 0.000 0.483 47 K N 6.125 126.736 120.400 0.351 0.000 2.253 47 K HA 0.409 4.715 4.320 -0.023 0.000 0.277 47 K C -0.843 176.058 176.600 0.502 0.000 1.053 47 K CA -0.395 56.137 56.287 0.408 0.000 0.892 47 K CB 0.894 33.592 32.500 0.330 0.000 1.102 47 K HN 0.793 nan 8.250 nan 0.000 0.469 48 H N 0.139 119.411 119.070 0.337 0.000 3.037 48 H HA 0.287 4.829 4.556 -0.023 0.000 0.336 48 H C -1.624 173.848 175.328 0.240 0.000 1.323 48 H CA -0.951 55.301 56.048 0.341 0.000 1.159 48 H CB 1.078 31.007 29.762 0.278 0.000 1.882 48 H HN 0.324 nan 8.280 nan 0.000 0.535 49 N N 2.160 120.957 118.700 0.162 0.000 2.564 49 N HA 0.295 5.022 4.740 -0.023 0.000 0.248 49 N C -2.113 173.203 175.510 -0.324 0.000 0.986 49 N CA -2.422 50.530 53.050 -0.163 0.000 0.921 49 N CB 1.506 39.894 38.487 -0.166 0.000 1.136 49 N HN 0.249 nan 8.380 nan 0.000 0.509 50 P HA -0.118 nan 4.420 nan 0.000 0.218 50 P C 0.570 177.451 177.300 -0.699 0.000 1.146 50 P CA 1.232 63.603 63.100 -1.215 0.000 0.813 50 P CB 0.429 31.544 31.700 -0.975 0.000 0.778 51 K N -1.798 118.370 120.400 -0.387 0.000 2.404 51 K HA 0.106 4.412 4.320 -0.023 0.000 0.194 51 K C 0.459 176.971 176.600 -0.147 0.000 1.023 51 K CA 0.306 56.456 56.287 -0.229 0.000 1.094 51 K CB -0.231 32.159 32.500 -0.183 0.000 0.841 51 K HN 0.099 nan 8.250 nan 0.000 0.523 52 N N 0.726 119.347 118.700 -0.132 0.000 2.707 52 N HA 0.193 4.919 4.740 -0.023 0.000 0.249 52 N C -2.622 172.912 175.510 0.039 0.000 1.299 52 N CA -1.610 51.416 53.050 -0.039 0.000 0.769 52 N CB 1.372 39.837 38.487 -0.037 0.000 1.236 52 N HN -0.243 nan 8.380 nan 0.000 0.524 53 P HA 0.003 nan 4.420 nan 0.000 0.234 53 P C 0.853 178.204 177.300 0.085 0.000 1.167 53 P CA 0.963 64.159 63.100 0.159 0.000 0.763 53 P CB 0.195 32.032 31.700 0.228 0.000 0.835 54 T N -6.329 108.260 114.554 0.057 0.000 3.122 54 T HA 0.012 4.348 4.350 -0.023 0.000 0.250 54 T C 0.186 174.888 174.700 0.003 0.000 1.067 54 T CA -0.657 61.449 62.100 0.010 0.000 0.966 54 T CB -0.792 68.088 68.868 0.020 0.000 1.002 54 T HN -0.045 nan 8.240 nan 0.000 0.542 55 W N 2.230 123.421 121.300 -0.183 0.000 2.443 55 W HA 0.236 4.882 4.660 -0.023 0.000 0.335 55 W C 0.877 177.126 176.519 -0.450 0.000 1.382 55 W CA -2.005 55.159 57.345 -0.301 0.000 1.305 55 W CB -0.055 29.242 29.460 -0.272 0.000 1.283 55 W HN 0.166 nan 8.180 nan 0.000 0.567 56 L N 5.448 126.288 121.223 -0.638 0.000 2.141 56 L HA -0.144 4.182 4.340 -0.023 0.000 0.209 56 L C 1.651 177.903 176.870 -1.029 0.000 1.094 56 L CA 2.003 56.414 54.840 -0.716 0.000 0.763 56 L CB -0.749 41.063 42.059 -0.411 0.000 0.908 56 L HN 0.647 nan 8.230 nan 0.000 0.437 57 N N -0.283 117.406 118.700 -1.685 0.000 2.251 57 N HA 0.033 4.760 4.740 -0.023 0.000 0.217 57 N C 0.076 174.554 175.510 -1.720 0.000 1.124 57 N CA -0.261 51.939 53.050 -1.416 0.000 0.843 57 N CB 0.027 37.912 38.487 -1.003 0.000 1.024 57 N HN 0.337 nan 8.380 nan 0.000 0.501 58 R N -0.341 119.063 120.500 -1.827 0.000 2.694 58 R HA 0.114 4.440 4.340 -0.023 0.000 0.268 58 R C -0.852 175.024 176.300 -0.706 0.000 1.061 58 R CA -0.226 55.213 56.100 -1.101 0.000 1.133 58 R CB 0.277 30.267 30.300 -0.517 0.000 1.020 58 R HN 0.004 nan 8.270 nan 0.000 0.475 59 D N 1.775 122.021 120.400 -0.257 0.000 2.424 59 D HA 0.076 4.702 4.640 -0.023 0.000 0.244 59 D C -0.185 176.054 176.300 -0.102 0.000 1.134 59 D CA 0.257 54.237 54.000 -0.034 0.000 0.881 59 D CB 0.649 41.576 40.800 0.211 0.000 1.191 59 D HN 0.250 nan 8.370 nan 0.000 0.445 60 R N 1.926 122.373 120.500 -0.088 0.000 2.255 60 R HA 0.389 4.715 4.340 -0.023 0.000 0.326 60 R C -0.536 175.779 176.300 0.026 0.000 0.986 60 R CA -1.001 54.984 56.100 -0.192 0.000 0.847 60 R CB 0.789 30.834 30.300 -0.424 0.000 1.111 60 R HN 0.286 nan 8.270 nan 0.000 0.452 61 L N 3.748 124.998 121.223 0.046 0.000 2.298 61 L HA 0.423 4.749 4.340 -0.023 0.000 0.284 61 L C -1.045 175.936 176.870 0.186 0.000 1.013 61 L CA -0.587 54.346 54.840 0.154 0.000 0.824 61 L CB 1.763 43.897 42.059 0.125 0.000 1.221 61 L HN 0.287 nan 8.230 nan 0.000 0.418 62 V N 5.788 125.855 119.914 0.255 0.000 2.448 62 V HA 0.409 4.515 4.120 -0.023 0.000 0.295 62 V C -0.627 175.668 176.094 0.334 0.000 1.025 62 V CA -0.381 62.100 62.300 0.301 0.000 0.859 62 V CB 1.412 33.425 31.823 0.317 0.000 0.988 62 V HN 0.486 nan 8.190 nan 0.000 0.431 63 F N 2.881 122.855 119.950 0.041 0.000 2.334 63 F HA 0.307 4.820 4.527 -0.023 0.000 0.365 63 F C 1.607 177.422 175.800 0.024 0.000 1.124 63 F CA -0.055 57.942 58.000 -0.006 0.000 1.166 63 F CB 1.380 40.339 39.000 -0.069 0.000 1.355 63 F HN 0.557 nan 8.300 nan 0.000 0.532 64 S N 2.633 118.424 115.700 0.151 0.000 2.399 64 S HA -0.059 4.398 4.470 -0.023 0.000 0.231 64 S C 1.573 176.248 174.600 0.126 0.000 1.022 64 S CA 1.029 59.307 58.200 0.131 0.000 0.983 64 S CB -0.356 62.904 63.200 0.101 0.000 0.803 64 S HN 0.706 nan 8.310 nan 0.000 0.480 65 G N 0.205 109.056 108.800 0.086 0.000 2.770 65 G HA2 0.451 4.397 3.960 -0.023 0.000 0.307 65 G HA3 0.451 4.397 3.960 -0.023 0.000 0.307 65 G C 0.806 175.687 174.900 -0.031 0.000 0.863 65 G CA -0.054 45.083 45.100 0.061 0.000 1.595 65 G HN 0.408 nan 8.290 nan 0.000 0.496 66 G N 1.127 110.019 108.800 0.154 0.000 2.598 66 G HA2 -0.113 3.833 3.960 -0.023 0.000 0.215 66 G HA3 -0.113 3.833 3.960 -0.023 0.000 0.215 66 G C 1.228 176.178 174.900 0.082 0.000 1.131 66 G CA 0.824 46.024 45.100 0.166 0.000 0.785 66 G HN 0.887 nan 8.290 nan 0.000 0.539 67 H N -1.285 117.800 119.070 0.025 0.000 2.545 67 H HA 0.379 4.921 4.556 -0.023 0.000 0.282 67 H C 2.052 177.248 175.328 -0.221 0.000 1.020 67 H CA 0.650 56.462 56.048 -0.394 0.000 1.243 67 H CB -0.016 29.272 29.762 -0.790 0.000 1.377 67 H HN 0.209 nan 8.280 nan 0.000 0.581 68 A N 1.203 123.747 122.820 -0.460 0.000 2.291 68 A HA 0.046 4.352 4.320 -0.023 0.000 0.220 68 A C 2.254 179.759 177.584 -0.133 0.000 1.262 68 A CA 0.362 52.279 52.037 -0.200 0.000 0.867 68 A CB -0.715 18.213 19.000 -0.121 0.000 0.888 68 A HN 0.641 nan 8.150 nan 0.000 0.487 69 S N 0.477 116.038 115.700 -0.231 0.000 2.374 69 S HA -0.225 4.231 4.470 -0.023 0.000 0.227 69 S C 2.054 176.256 174.600 -0.664 0.000 1.037 69 S CA 1.464 59.352 58.200 -0.520 0.000 1.024 69 S CB -0.758 62.240 63.200 -0.336 0.000 0.861 69 S HN 0.980 nan 8.310 nan 0.000 0.456 70 A N 1.749 124.355 122.820 -0.358 0.000 1.940 70 A HA 0.013 4.319 4.320 -0.023 0.000 0.219 70 A C 2.253 179.680 177.584 -0.262 0.000 1.176 70 A CA 1.683 53.450 52.037 -0.450 0.000 0.631 70 A CB -0.886 17.760 19.000 -0.591 0.000 0.814 70 A HN 0.561 nan 8.150 nan 0.000 0.446 71 L N -0.897 120.220 121.223 -0.177 0.000 2.017 71 L HA -0.108 4.218 4.340 -0.023 0.000 0.208 71 L C 2.226 179.047 176.870 -0.082 0.000 1.073 71 L CA 1.944 56.749 54.840 -0.057 0.000 0.745 71 L CB -0.602 41.504 42.059 0.078 0.000 0.894 71 L HN 0.338 nan 8.230 nan 0.000 0.432 72 L N -1.026 119.962 121.223 -0.392 0.000 1.990 72 L HA -0.278 4.048 4.340 -0.023 0.000 0.213 72 L C 2.395 179.147 176.870 -0.197 0.000 1.072 72 L CA 2.025 56.478 54.840 -0.646 0.000 0.755 72 L CB -1.126 40.205 42.059 -1.213 0.000 0.889 72 L HN 0.337 nan 8.230 nan 0.000 0.432 73 Y N -0.423 119.775 120.300 -0.171 0.000 2.181 73 Y HA -0.162 4.374 4.550 -0.023 0.000 0.288 73 Y C 2.833 178.701 175.900 -0.052 0.000 1.146 73 Y CA 1.098 59.138 58.100 -0.100 0.000 1.164 73 Y CB -1.465 36.949 38.460 -0.077 0.000 0.982 73 Y HN 0.208 nan 8.280 nan 0.000 0.515 74 S N 0.075 115.829 115.700 0.091 0.000 2.359 74 S HA -0.211 4.245 4.470 -0.023 0.000 0.224 74 S C 1.885 176.491 174.600 0.010 0.000 1.035 74 S CA 1.480 59.713 58.200 0.055 0.000 1.018 74 S CB -0.835 62.366 63.200 0.001 0.000 0.876 74 S HN 0.467 nan 8.310 nan 0.000 0.448 75 F N 2.384 122.247 119.950 -0.144 0.000 2.134 75 F HA -0.039 4.474 4.527 -0.023 0.000 0.299 75 F C 1.805 177.541 175.800 -0.108 0.000 1.097 75 F CA 1.098 58.976 58.000 -0.203 0.000 1.264 75 F CB -0.534 38.395 39.000 -0.120 0.000 1.001 75 F HN 0.088 nan 8.300 nan 0.000 0.479 76 L N -0.445 120.639 121.223 -0.232 0.000 2.012 76 L HA -0.288 4.039 4.340 -0.023 0.000 0.210 76 L C 2.790 179.618 176.870 -0.071 0.000 1.073 76 L CA 1.908 56.579 54.840 -0.282 0.000 0.748 76 L CB -1.249 40.662 42.059 -0.247 0.000 0.891 76 L HN 0.324 nan 8.230 nan 0.000 0.431 77 H N 0.721 119.736 119.070 -0.092 0.000 2.319 77 H HA -0.172 4.371 4.556 -0.023 0.000 0.299 77 H C 2.294 177.563 175.328 -0.098 0.000 1.092 77 H CA 1.845 57.859 56.048 -0.056 0.000 1.302 77 H CB 0.086 29.828 29.762 -0.034 0.000 1.373 77 H HN 0.270 nan 8.280 nan 0.000 0.497 78 L N 0.178 121.188 121.223 -0.355 0.000 2.141 78 L HA -0.100 4.226 4.340 -0.023 0.000 0.209 78 L C 2.592 179.274 176.870 -0.312 0.000 1.094 78 L CA 0.968 55.565 54.840 -0.406 0.000 0.763 78 L CB -0.128 41.608 42.059 -0.539 0.000 0.908 78 L HN 0.169 nan 8.230 nan 0.000 0.437 79 S N -0.668 114.822 115.700 -0.349 0.000 2.527 79 S HA 0.140 4.596 4.470 -0.023 0.000 0.222 79 S C 1.403 175.895 174.600 -0.180 0.000 0.985 79 S CA 0.778 58.844 58.200 -0.224 0.000 0.921 79 S CB 0.467 63.473 63.200 -0.323 0.000 0.772 79 S HN 0.638 nan 8.310 nan 0.000 0.529 80 G N 0.138 108.831 108.800 -0.178 0.000 2.154 80 G HA2 -0.205 3.741 3.960 -0.023 0.000 0.186 80 G HA3 -0.205 3.741 3.960 -0.023 0.000 0.186 80 G C -0.104 174.683 174.900 -0.189 0.000 1.000 80 G CA -0.605 44.377 45.100 -0.197 0.000 0.664 80 G HN 0.408 nan 8.290 nan 0.000 0.513 81 Y N 0.488 120.703 120.300 -0.141 0.000 2.296 81 Y HA 0.418 4.954 4.550 -0.023 0.000 0.343 81 Y C 1.103 176.976 175.900 -0.046 0.000 1.292 81 Y CA 0.237 58.291 58.100 -0.076 0.000 1.490 81 Y CB 0.477 38.905 38.460 -0.054 0.000 1.359 81 Y HN 0.061 nan 8.280 nan 0.000 0.599 82 D N 1.771 122.257 120.400 0.145 0.000 2.671 82 D HA 0.201 4.828 4.640 -0.023 0.000 0.228 82 D C -1.675 174.679 176.300 0.089 0.000 1.102 82 D CA 0.277 54.327 54.000 0.084 0.000 1.044 82 D CB -0.893 39.942 40.800 0.060 0.000 1.113 82 D HN 0.254 nan 8.370 nan 0.000 0.480 83 L N 1.697 122.988 121.223 0.113 0.000 2.505 83 L HA 0.375 4.702 4.340 -0.023 0.000 0.266 83 L C -0.400 176.576 176.870 0.178 0.000 0.954 83 L CA -0.500 54.393 54.840 0.088 0.000 0.852 83 L CB 1.685 43.787 42.059 0.072 0.000 1.282 83 L HN 0.135 nan 8.230 nan 0.000 0.403 84 S N 3.205 118.943 115.700 0.063 0.000 2.745 84 S HA 0.460 4.916 4.470 -0.023 0.000 0.292 84 S C 0.828 175.261 174.600 -0.278 0.000 1.133 84 S CA -0.584 57.638 58.200 0.037 0.000 0.998 84 S CB 1.211 64.409 63.200 -0.003 0.000 1.087 84 S HN 0.672 nan 8.310 nan 0.000 0.551 85 L N 0.694 121.674 121.223 -0.405 0.000 2.093 85 L HA 0.068 4.394 4.340 -0.023 0.000 0.208 85 L C 2.530 179.214 176.870 -0.309 0.000 1.085 85 L CA 2.129 56.676 54.840 -0.488 0.000 0.755 85 L CB -1.001 40.881 42.059 -0.295 0.000 0.904 85 L HN 0.963 nan 8.230 nan 0.000 0.435 86 E N -0.199 119.875 120.200 -0.210 0.000 2.077 86 E HA -0.235 4.101 4.350 -0.023 0.000 0.193 86 E C 1.807 178.309 176.600 -0.164 0.000 0.989 86 E CA 1.657 57.944 56.400 -0.188 0.000 0.800 86 E CB -0.226 29.404 29.700 -0.117 0.000 0.746 86 E HN 0.524 nan 8.360 nan 0.000 0.452 87 D N 0.135 120.455 120.400 -0.134 0.000 2.123 87 D HA -0.183 4.443 4.640 -0.023 0.000 0.196 87 D C 2.063 178.304 176.300 -0.099 0.000 0.992 87 D CA 1.144 55.080 54.000 -0.107 0.000 0.833 87 D CB -0.282 40.455 40.800 -0.104 0.000 0.954 87 D HN 0.292 nan 8.370 nan 0.000 0.455 88 L N 0.499 121.646 121.223 -0.126 0.000 2.079 88 L HA -0.173 4.154 4.340 -0.023 0.000 0.210 88 L C 2.168 179.050 176.870 0.021 0.000 1.081 88 L CA 1.217 56.041 54.840 -0.028 0.000 0.752 88 L CB -0.446 41.613 42.059 -0.000 0.000 0.896 88 L HN -0.009 nan 8.230 nan 0.000 0.433 89 K N 0.189 120.447 120.400 -0.237 0.000 2.504 89 K HA -0.067 4.239 4.320 -0.023 0.000 0.195 89 K C 0.697 177.267 176.600 -0.050 0.000 1.036 89 K CA 0.683 56.787 56.287 -0.305 0.000 0.984 89 K CB -0.170 31.986 32.500 -0.574 0.000 0.788 89 K HN 0.360 nan 8.250 nan 0.000 0.488 90 N N 0.320 119.019 118.700 -0.002 0.000 2.238 90 N HA 0.049 4.775 4.740 -0.023 0.000 0.222 90 N C -0.647 174.933 175.510 0.117 0.000 1.133 90 N CA -0.368 52.704 53.050 0.036 0.000 0.854 90 N CB 0.171 38.653 38.487 -0.008 0.000 1.041 90 N HN 0.024 nan 8.380 nan 0.000 0.510 91 F N 2.078 122.034 119.950 0.011 0.000 2.623 91 F HA -0.099 4.414 4.527 -0.023 0.000 0.386 91 F C 1.187 177.015 175.800 0.047 0.000 1.068 91 F CA 0.527 58.557 58.000 0.050 0.000 1.265 91 F CB 0.209 39.282 39.000 0.121 0.000 1.026 91 F HN 0.193 nan 8.300 nan 0.000 0.568 92 R N 0.877 121.141 120.500 -0.393 0.000 3.989 92 R HA -0.215 4.111 4.340 -0.023 0.000 0.377 92 R C -0.504 175.688 176.300 -0.180 0.000 1.158 92 R CA 0.884 56.730 56.100 -0.425 0.000 1.035 92 R CB -1.293 28.618 30.300 -0.648 0.000 1.557 92 R HN 0.603 nan 8.270 nan 0.000 0.551 93 Q N 0.649 120.391 119.800 -0.096 0.000 2.222 93 Q HA 0.269 4.596 4.340 -0.023 0.000 0.252 93 Q C 0.004 175.953 176.000 -0.086 0.000 0.926 93 Q CA -1.011 54.752 55.803 -0.068 0.000 0.899 93 Q CB 0.970 29.691 28.738 -0.028 0.000 1.250 93 Q HN 0.125 nan 8.270 nan 0.000 0.441 94 L N 3.135 124.283 121.223 -0.125 0.000 2.601 94 L HA -0.112 4.214 4.340 -0.023 0.000 0.277 94 L C 0.161 176.908 176.870 -0.204 0.000 1.219 94 L CA 1.320 56.005 54.840 -0.258 0.000 0.915 94 L CB -0.621 41.242 42.059 -0.326 0.000 1.160 94 L HN 0.763 nan 8.230 nan 0.000 0.494 95 H N 0.471 119.536 119.070 -0.009 0.000 3.211 95 H HA -0.187 4.355 4.556 -0.023 0.000 0.240 95 H C 0.752 176.070 175.328 -0.016 0.000 1.148 95 H CA 0.695 56.738 56.048 -0.008 0.000 1.160 95 H CB -1.574 28.185 29.762 -0.006 0.000 1.232 95 H HN 0.798 nan 8.280 nan 0.000 0.321 96 S N 0.493 116.226 115.700 0.055 0.000 2.624 96 S HA 0.223 4.680 4.470 -0.023 0.000 0.263 96 S C 1.196 175.790 174.600 -0.009 0.000 1.287 96 S CA -0.423 57.785 58.200 0.013 0.000 0.990 96 S CB 1.711 64.903 63.200 -0.012 0.000 0.950 96 S HN 0.390 nan 8.310 nan 0.000 0.561 97 K N 0.245 120.615 120.400 -0.051 0.000 2.487 97 K HA 0.064 4.371 4.320 -0.023 0.000 0.192 97 K C 0.273 176.730 176.600 -0.238 0.000 1.027 97 K CA 0.662 56.892 56.287 -0.094 0.000 1.054 97 K CB -0.092 32.355 32.500 -0.089 0.000 0.824 97 K HN 0.838 nan 8.250 nan 0.000 0.510 98 T N 0.371 114.780 114.554 -0.242 0.000 3.444 98 T HA 0.246 4.582 4.350 -0.023 0.000 0.265 98 T C -2.613 172.085 174.700 -0.003 0.000 1.537 98 T CA -2.024 59.800 62.100 -0.459 0.000 1.530 98 T CB 0.600 69.293 68.868 -0.292 0.000 0.958 98 T HN -0.132 nan 8.240 nan 0.000 0.684 99 P HA 0.184 nan 4.420 nan 0.000 0.272 99 P C 1.414 178.777 177.300 0.106 0.000 1.240 99 P CA -0.080 63.055 63.100 0.058 0.000 0.791 99 P CB 0.599 32.355 31.700 0.094 0.000 0.978 100 G N 0.538 109.287 108.800 -0.084 0.000 2.469 100 G HA2 -0.173 3.773 3.960 -0.023 0.000 0.220 100 G HA3 -0.173 3.773 3.960 -0.023 0.000 0.220 100 G C 0.091 174.828 174.900 -0.272 0.000 1.136 100 G CA 1.101 46.068 45.100 -0.221 0.000 0.759 100 G HN 0.631 nan 8.290 nan 0.000 0.562 101 H N -0.659 118.473 119.070 0.103 0.000 2.679 101 H HA 0.490 5.033 4.556 -0.023 0.000 0.367 101 H C -2.522 172.881 175.328 0.125 0.000 1.162 101 H CA -1.927 54.177 56.048 0.094 0.000 1.181 101 H CB 1.880 31.686 29.762 0.072 0.000 1.693 101 H HN -0.073 nan 8.280 nan 0.000 0.538 102 P HA 0.113 nan 4.420 nan 0.000 0.271 102 P C -0.805 176.601 177.300 0.177 0.000 1.216 102 P CA -0.087 63.117 63.100 0.174 0.000 0.771 102 P CB 0.834 32.559 31.700 0.042 0.000 0.864 103 E N 1.572 121.880 120.200 0.179 0.000 2.256 103 E HA 0.248 4.584 4.350 -0.023 0.000 0.267 103 E C 0.901 177.575 176.600 0.123 0.000 0.892 103 E CA -0.664 55.820 56.400 0.140 0.000 0.775 103 E CB 1.725 31.500 29.700 0.126 0.000 1.207 103 E HN 0.407 nan 8.360 nan 0.000 0.420 104 I N -0.714 119.924 120.570 0.114 0.000 3.001 104 I HA -0.139 4.018 4.170 -0.023 0.000 0.268 104 I C 1.821 177.992 176.117 0.090 0.000 1.267 104 I CA 0.743 62.106 61.300 0.105 0.000 1.472 104 I CB -0.170 37.899 38.000 0.115 0.000 1.089 104 I HN 0.305 nan 8.210 nan 0.000 0.468 105 S N 0.154 115.905 115.700 0.085 0.000 2.442 105 S HA -0.055 4.401 4.470 -0.023 0.000 0.236 105 S C 1.089 175.724 174.600 0.059 0.000 1.007 105 S CA 0.691 58.933 58.200 0.070 0.000 0.965 105 S CB -1.245 61.995 63.200 0.067 0.000 0.773 105 S HN 0.515 nan 8.310 nan 0.000 0.504 106 T N 4.250 118.841 114.554 0.063 0.000 2.727 106 T HA 0.367 4.703 4.350 -0.023 0.000 0.295 106 T C 0.090 174.825 174.700 0.058 0.000 0.915 106 T CA -0.408 61.719 62.100 0.045 0.000 1.066 106 T CB 0.304 69.198 68.868 0.042 0.000 0.891 106 T HN 0.263 nan 8.240 nan 0.000 0.516 107 L N 3.060 124.322 121.223 0.064 0.000 2.453 107 L HA 0.343 4.670 4.340 -0.023 0.000 0.272 107 L C 1.599 178.526 176.870 0.096 0.000 1.182 107 L CA 0.545 55.442 54.840 0.096 0.000 0.858 107 L CB 0.281 42.407 42.059 0.112 0.000 1.120 107 L HN 1.030 nan 8.230 nan 0.000 0.474 108 G N 2.626 111.476 108.800 0.083 0.000 2.259 108 G HA2 -0.230 3.716 3.960 -0.023 0.000 0.217 108 G HA3 -0.230 3.716 3.960 -0.023 0.000 0.217 108 G C 0.037 174.871 174.900 -0.109 0.000 1.001 108 G CA -0.241 44.795 45.100 -0.107 0.000 0.627 108 G HN 0.381 nan 8.290 nan 0.000 0.501 109 V N 2.380 122.282 119.914 -0.019 0.000 2.455 109 V HA 0.342 4.448 4.120 -0.023 0.000 0.273 109 V C 1.401 177.522 176.094 0.046 0.000 1.045 109 V CA -0.010 62.295 62.300 0.008 0.000 0.976 109 V CB 1.564 33.423 31.823 0.061 0.000 0.993 109 V HN 0.309 nan 8.190 nan 0.000 0.475 110 E N 3.486 123.715 120.200 0.048 0.000 2.158 110 E HA 0.173 4.509 4.350 -0.023 0.000 0.191 110 E C 0.270 176.999 176.600 0.214 0.000 0.982 110 E CA 0.858 57.298 56.400 0.065 0.000 0.823 110 E CB 0.700 30.386 29.700 -0.024 0.000 0.766 110 E HN 0.653 nan 8.360 nan 0.000 0.468 111 I N -0.833 119.870 120.570 0.221 0.000 2.785 111 I HA 0.288 4.444 4.170 -0.023 0.000 0.293 111 I C -1.572 174.652 176.117 0.178 0.000 1.446 111 I CA -0.721 60.725 61.300 0.243 0.000 1.028 111 I CB 1.775 39.971 38.000 0.325 0.000 1.349 111 I HN -0.128 nan 8.210 nan 0.000 0.438 112 A N 4.181 127.095 122.820 0.156 0.000 2.488 112 A HA 0.620 4.926 4.320 -0.023 0.000 0.249 112 A C 0.074 177.739 177.584 0.135 0.000 1.083 112 A CA 0.718 52.839 52.037 0.139 0.000 0.768 112 A CB -0.124 18.953 19.000 0.127 0.000 1.017 112 A HN 0.753 nan 8.150 nan 0.000 0.496 113 T N -1.133 113.503 114.554 0.137 0.000 2.804 113 T HA 0.859 5.195 4.350 -0.023 0.000 0.290 113 T C 0.571 175.345 174.700 0.123 0.000 1.099 113 T CA 0.124 62.301 62.100 0.129 0.000 1.011 113 T CB 1.639 70.597 68.868 0.150 0.000 1.291 113 T HN 2.117 nan 8.240 nan 0.000 0.523 114 G N 0.276 109.129 108.800 0.089 0.000 3.898 114 G HA2 0.079 4.025 3.960 -0.023 0.000 0.196 114 G HA3 0.079 4.025 3.960 -0.023 0.000 0.196 114 G C -2.705 172.147 174.900 -0.081 0.000 1.322 114 G CA -0.421 44.626 45.100 -0.088 0.000 0.942 114 G HN 0.859 nan 8.290 nan 0.000 0.400 115 P HA 0.602 nan 4.420 nan 0.000 0.287 115 P C 0.207 177.529 177.300 0.036 0.000 1.294 115 P CA -0.343 62.759 63.100 0.004 0.000 0.776 115 P CB 1.140 32.856 31.700 0.026 0.000 0.889 116 L N 2.007 123.253 121.223 0.039 0.000 2.467 116 L HA 0.269 4.595 4.340 -0.023 0.000 0.270 116 L C 1.806 178.694 176.870 0.030 0.000 1.205 116 L CA 0.950 55.819 54.840 0.049 0.000 0.828 116 L CB -0.264 41.820 42.059 0.042 0.000 1.101 116 L HN 0.778 nan 8.230 nan 0.000 0.479 117 G N 0.073 108.888 108.800 0.024 0.000 2.320 117 G HA2 -0.295 3.652 3.960 -0.023 0.000 0.242 117 G HA3 -0.295 3.652 3.960 -0.023 0.000 0.242 117 G C 1.038 175.928 174.900 -0.016 0.000 1.033 117 G CA 0.282 45.380 45.100 -0.004 0.000 0.620 117 G HN 0.581 nan 8.290 nan 0.000 0.517 118 Q N 0.524 120.320 119.800 -0.007 0.000 2.050 118 Q HA -0.063 4.264 4.340 -0.023 0.000 0.202 118 Q C 2.811 178.825 176.000 0.023 0.000 0.980 118 Q CA 2.236 58.030 55.803 -0.016 0.000 0.840 118 Q CB -0.969 27.787 28.738 0.030 0.000 0.898 118 Q HN 0.729 nan 8.270 nan 0.000 0.424 119 G N 0.580 109.421 108.800 0.068 0.000 2.440 119 G HA2 -0.210 3.736 3.960 -0.023 0.000 0.218 119 G HA3 -0.210 3.736 3.960 -0.023 0.000 0.218 119 G C 1.649 176.623 174.900 0.122 0.000 1.154 119 G CA 1.173 46.340 45.100 0.112 0.000 0.767 119 G HN 0.269 nan 8.290 nan 0.000 0.552 120 V N 1.486 121.465 119.914 0.108 0.000 2.295 120 V HA -0.143 3.963 4.120 -0.023 0.000 0.246 120 V C 3.309 179.457 176.094 0.089 0.000 1.049 120 V CA 2.101 64.493 62.300 0.153 0.000 1.024 120 V CB -0.914 30.988 31.823 0.132 0.000 0.648 120 V HN 0.482 nan 8.190 nan 0.000 0.447 121 A N 0.234 123.067 122.820 0.022 0.000 1.930 121 A HA -0.181 4.125 4.320 -0.023 0.000 0.217 121 A C 2.063 179.603 177.584 -0.073 0.000 1.175 121 A CA 1.716 53.736 52.037 -0.028 0.000 0.627 121 A CB -0.609 18.360 19.000 -0.051 0.000 0.815 121 A HN 0.587 nan 8.150 nan 0.000 0.443 122 N N 0.762 119.428 118.700 -0.057 0.000 2.120 122 N HA -0.124 4.603 4.740 -0.023 0.000 0.188 122 N C 1.881 177.289 175.510 -0.171 0.000 1.024 122 N CA 1.613 54.570 53.050 -0.156 0.000 0.852 122 N CB -0.588 37.860 38.487 -0.066 0.000 1.003 122 N HN 0.468 nan 8.380 nan 0.000 0.424 123 A N 0.783 123.627 122.820 0.039 0.000 1.902 123 A HA -0.063 4.243 4.320 -0.023 0.000 0.217 123 A C 2.519 179.937 177.584 -0.277 0.000 1.181 123 A CA 1.220 53.337 52.037 0.132 0.000 0.623 123 A CB -0.747 18.456 19.000 0.339 0.000 0.818 123 A HN 0.102 nan 8.150 nan 0.000 0.443 124 V N 0.020 119.639 119.914 -0.491 0.000 2.343 124 V HA -0.201 3.905 4.120 -0.023 0.000 0.247 124 V C 2.822 178.720 176.094 -0.326 0.000 1.051 124 V CA 1.989 63.937 62.300 -0.585 0.000 1.036 124 V CB -1.506 30.097 31.823 -0.367 0.000 0.654 124 V HN 0.609 nan 8.190 nan 0.000 0.451 125 G N -0.702 107.950 108.800 -0.248 0.000 2.422 125 G HA2 -0.243 3.704 3.960 -0.023 0.000 0.218 125 G HA3 -0.243 3.704 3.960 -0.023 0.000 0.218 125 G C 1.416 176.085 174.900 -0.385 0.000 1.146 125 G CA 0.771 45.716 45.100 -0.257 0.000 0.769 125 G HN 0.448 nan 8.290 nan 0.000 0.547 126 F N 1.959 121.807 119.950 -0.171 0.000 2.216 126 F HA 0.255 4.768 4.527 -0.023 0.000 0.300 126 F C 2.306 178.030 175.800 -0.126 0.000 1.085 126 F CA -0.139 57.820 58.000 -0.069 0.000 1.326 126 F CB -0.651 38.406 39.000 0.096 0.000 1.027 126 F HN 0.213 nan 8.300 nan 0.000 0.497 130 A N 0.775 123.273 122.820 -0.537 0.000 1.902 130 A HA -0.068 4.238 4.320 -0.023 0.000 0.217 130 A C 1.911 179.408 177.584 -0.145 0.000 1.181 130 A CA 1.977 53.876 52.037 -0.230 0.000 0.623 130 A CB -0.426 18.478 19.000 -0.160 0.000 0.818 130 A HN 0.299 nan 8.150 nan 0.000 0.443 131 K N -0.089 120.231 120.400 -0.133 0.000 2.097 131 K HA -0.139 4.168 4.320 -0.023 0.000 0.206 131 K C 1.927 178.458 176.600 -0.116 0.000 1.049 131 K CA 1.688 57.916 56.287 -0.098 0.000 0.933 131 K CB -0.272 32.190 32.500 -0.063 0.000 0.717 131 K HN 0.418 nan 8.250 nan 0.000 0.442 132 K N 1.317 121.661 120.400 -0.092 0.000 2.103 132 K HA 0.023 4.329 4.320 -0.023 0.000 0.204 132 K C 1.877 178.570 176.600 0.155 0.000 1.052 132 K CA 1.299 57.563 56.287 -0.038 0.000 0.945 132 K CB -0.381 32.135 32.500 0.027 0.000 0.722 132 K HN 0.063 nan 8.250 nan 0.000 0.443 133 A N 0.616 123.565 122.820 0.215 0.000 1.902 133 A HA -0.226 4.080 4.320 -0.023 0.000 0.217 133 A C 2.197 179.862 177.584 0.135 0.000 1.181 133 A CA 1.838 54.007 52.037 0.219 0.000 0.623 133 A CB -0.656 18.465 19.000 0.202 0.000 0.818 133 A HN 0.577 nan 8.150 nan 0.000 0.443 134 Q N -0.295 119.552 119.800 0.078 0.000 2.124 134 Q HA -0.248 4.078 4.340 -0.023 0.000 0.202 134 Q C 1.984 178.002 176.000 0.031 0.000 0.977 134 Q CA 1.844 57.679 55.803 0.054 0.000 0.850 134 Q CB -0.261 28.484 28.738 0.012 0.000 0.901 134 Q HN 0.747 nan 8.270 nan 0.000 0.429 135 N N -0.258 118.441 118.700 -0.000 0.000 2.120 135 N HA -0.161 4.565 4.740 -0.023 0.000 0.188 135 N C 1.638 177.160 175.510 0.021 0.000 1.024 135 N CA 1.342 54.382 53.050 -0.018 0.000 0.852 135 N CB -0.104 38.333 38.487 -0.084 0.000 1.003 135 N HN 0.271 nan 8.380 nan 0.000 0.424 136 L N -0.602 120.658 121.223 0.062 0.000 2.095 136 L HA 0.008 4.335 4.340 -0.023 0.000 0.204 136 L C 1.768 178.678 176.870 0.066 0.000 1.080 136 L CA 0.792 55.677 54.840 0.075 0.000 0.759 136 L CB -0.169 41.959 42.059 0.115 0.000 0.914 136 L HN 0.240 nan 8.230 nan 0.000 0.439 137 L N -1.404 119.868 121.223 0.082 0.000 2.609 137 L HA 0.368 4.694 4.340 -0.023 0.000 0.230 137 L C 0.684 177.598 176.870 0.073 0.000 1.087 137 L CA 0.160 55.052 54.840 0.086 0.000 0.874 137 L CB 0.320 42.460 42.059 0.135 0.000 1.114 137 L HN 0.335 nan 8.230 nan 0.000 0.488 138 G N 0.124 108.964 108.800 0.067 0.000 2.650 138 G HA2 -0.207 3.739 3.960 -0.023 0.000 0.686 138 G HA3 -0.207 3.739 3.960 -0.023 0.000 0.686 138 G C 0.463 175.407 174.900 0.073 0.000 1.205 138 G CA -0.171 44.961 45.100 0.054 0.000 0.781 138 G HN 0.129 nan 8.290 nan 0.000 0.648 139 S N -0.439 115.294 115.700 0.055 0.000 2.515 139 S HA -0.036 4.420 4.470 -0.023 0.000 0.231 139 S C 1.732 176.385 174.600 0.089 0.000 0.987 139 S CA 1.606 59.844 58.200 0.064 0.000 0.936 139 S CB -0.079 63.145 63.200 0.040 0.000 0.766 139 S HN 1.013 nan 8.310 nan 0.000 0.528 140 D N 2.072 122.518 120.400 0.077 0.000 2.224 140 D HA -0.077 4.549 4.640 -0.023 0.000 0.205 140 D C 1.775 178.153 176.300 0.129 0.000 0.965 140 D CA 0.696 54.745 54.000 0.080 0.000 0.852 140 D CB -0.367 40.452 40.800 0.032 0.000 0.947 140 D HN 0.480 nan 8.370 nan 0.000 0.494 141 L N -0.538 120.783 121.223 0.163 0.000 2.470 141 L HA 0.189 4.516 4.340 -0.023 0.000 0.219 141 L C 0.483 177.670 176.870 0.528 0.000 1.071 141 L CA 0.156 55.194 54.840 0.331 0.000 0.850 141 L CB 0.578 42.768 42.059 0.218 0.000 1.040 141 L HN -0.083 nan 8.230 nan 0.000 0.475 142 I N 1.078 121.831 120.570 0.305 0.000 2.439 142 I HA 0.223 4.379 4.170 -0.023 0.000 0.285 142 I C -0.735 175.465 176.117 0.138 0.000 1.021 142 I CA -0.086 61.366 61.300 0.254 0.000 1.091 142 I CB 1.393 39.528 38.000 0.225 0.000 1.242 142 I HN 0.124 nan 8.210 nan 0.000 0.439 143 D N 3.162 123.631 120.400 0.115 0.000 2.640 143 D HA 0.016 4.642 4.640 -0.023 0.000 0.282 143 D C 0.167 176.468 176.300 0.002 0.000 1.558 143 D CA -0.228 53.795 54.000 0.039 0.000 0.820 143 D CB -0.544 40.314 40.800 0.098 0.000 1.243 143 D HN 0.576 nan 8.370 nan 0.000 0.456 144 H N -0.246 118.817 119.070 -0.012 0.000 2.581 144 H HA 0.638 5.180 4.556 -0.024 0.000 0.369 144 H C 0.120 175.420 175.328 -0.047 0.000 1.351 144 H CA -0.334 55.684 56.048 -0.050 0.000 1.434 144 H CB 0.906 30.573 29.762 -0.157 0.000 1.558 144 H HN -0.283 nan 8.280 nan 0.000 0.608 145 K N 0.576 121.024 120.400 0.081 0.000 2.139 145 K HA 0.400 4.707 4.320 -0.023 0.000 0.243 145 K C -0.785 175.817 176.600 0.003 0.000 0.983 145 K CA -0.849 55.371 56.287 -0.111 0.000 0.890 145 K CB 1.778 34.041 32.500 -0.396 0.000 1.090 145 K HN 0.516 nan 8.250 nan 0.000 0.445 146 I N 1.956 122.455 120.570 -0.118 0.000 2.411 146 I HA 0.230 4.386 4.170 -0.023 0.000 0.284 146 I C -1.047 175.049 176.117 -0.034 0.000 1.012 146 I CA -0.484 60.851 61.300 0.058 0.000 1.119 146 I CB 0.767 38.911 38.000 0.239 0.000 1.261 146 I HN 0.336 nan 8.210 nan 0.000 0.448 147 Y N 4.644 125.034 120.300 0.151 0.000 2.360 147 Y HA 0.611 5.147 4.550 -0.022 0.000 0.337 147 Y C 0.132 176.100 175.900 0.113 0.000 1.039 147 Y CA -0.550 57.597 58.100 0.078 0.000 1.109 147 Y CB 1.870 40.332 38.460 0.003 0.000 1.201 147 Y HN 0.568 nan 8.280 nan 0.000 0.458 148 C N 5.793 125.230 119.300 0.229 0.000 2.441 148 C HA 0.714 5.160 4.460 -0.023 0.000 0.318 148 C C -0.945 174.057 174.990 0.020 0.000 1.222 148 C CA -0.955 58.169 59.018 0.177 0.000 1.474 148 C CB -0.511 27.415 27.740 0.309 0.000 2.125 148 C HN 0.834 nan 8.230 nan 0.000 0.479 149 L N 6.431 127.601 121.223 -0.089 0.000 2.272 149 L HA 0.667 4.993 4.340 -0.023 0.000 0.289 149 L C 0.351 177.148 176.870 -0.122 0.000 1.032 149 L CA -0.202 54.510 54.840 -0.213 0.000 0.810 149 L CB 0.793 42.535 42.059 -0.529 0.000 1.205 149 L HN 0.926 nan 8.230 nan 0.000 0.422 150 C N 0.706 119.975 119.300 -0.052 0.000 3.154 150 C HA 1.022 5.469 4.460 -0.023 0.000 0.312 150 C C 0.368 175.405 174.990 0.078 0.000 1.349 150 C CA -0.426 58.598 59.018 0.011 0.000 1.518 150 C CB 1.134 28.881 27.740 0.011 0.000 1.934 150 C HN 0.868 nan 8.230 nan 0.000 0.462 151 G N -0.133 108.730 108.800 0.105 0.000 3.211 151 G HA2 0.476 4.422 3.960 -0.023 0.000 0.262 151 G HA3 0.476 4.422 3.960 -0.023 0.000 0.262 151 G C -0.027 174.955 174.900 0.136 0.000 1.352 151 G CA -0.170 45.039 45.100 0.183 0.000 1.004 151 G HN 0.765 nan 8.290 nan 0.000 0.559 152 D N -0.063 120.432 120.400 0.159 0.000 2.116 152 D HA -0.138 4.488 4.640 -0.023 0.000 0.193 152 D C 2.469 178.673 176.300 -0.160 0.000 0.998 152 D CA 1.814 55.788 54.000 -0.043 0.000 0.836 152 D CB -0.436 40.337 40.800 -0.045 0.000 0.951 152 D HN 0.426 nan 8.370 nan 0.000 0.449 153 G N 1.223 109.985 108.800 -0.063 0.000 2.418 153 G HA2 -0.246 3.700 3.960 -0.023 0.000 0.217 153 G HA3 -0.246 3.700 3.960 -0.023 0.000 0.217 153 G C 1.353 176.218 174.900 -0.057 0.000 1.158 153 G CA 0.809 45.874 45.100 -0.058 0.000 0.771 153 G HN 0.191 nan 8.290 nan 0.000 0.545 154 D N 0.553 120.929 120.400 -0.040 0.000 2.104 154 D HA -0.070 4.556 4.640 -0.023 0.000 0.194 154 D C 2.479 178.707 176.300 -0.121 0.000 0.994 154 D CA 0.673 54.645 54.000 -0.046 0.000 0.830 154 D CB -0.094 40.694 40.800 -0.021 0.000 0.959 154 D HN 0.277 nan 8.370 nan 0.000 0.452 155 L N 0.594 121.675 121.223 -0.238 0.000 2.478 155 L HA -0.056 4.270 4.340 -0.023 0.000 0.223 155 L C 2.246 178.941 176.870 -0.292 0.000 1.140 155 L CA 0.432 55.062 54.840 -0.350 0.000 0.842 155 L CB -0.152 41.575 42.059 -0.555 0.000 0.953 155 L HN -0.027 nan 8.230 nan 0.000 0.452 156 Q N -0.457 119.242 119.800 -0.169 0.000 2.269 156 Q HA -0.002 4.324 4.340 -0.023 0.000 0.201 156 Q C 0.238 176.351 176.000 0.188 0.000 0.946 156 Q CA 0.288 56.126 55.803 0.057 0.000 0.877 156 Q CB 0.375 29.112 28.738 -0.002 0.000 0.963 156 Q HN 0.360 nan 8.270 nan 0.000 0.472 157 E N 0.328 120.583 120.200 0.092 0.000 2.344 157 E HA 0.004 4.340 4.350 -0.023 0.000 0.270 157 E C 0.920 177.661 176.600 0.236 0.000 1.021 157 E CA 0.141 56.617 56.400 0.126 0.000 0.887 157 E CB 1.138 30.875 29.700 0.061 0.000 0.997 157 E HN 0.306 nan 8.360 nan 0.000 0.429 158 G N 3.795 112.731 108.800 0.227 0.000 2.475 158 G HA2 -0.278 3.668 3.960 -0.023 0.000 0.220 158 G HA3 -0.278 3.668 3.960 -0.023 0.000 0.220 158 G C 1.408 176.449 174.900 0.234 0.000 1.125 158 G CA 0.340 45.589 45.100 0.248 0.000 0.755 158 G HN 0.625 nan 8.290 nan 0.000 0.565 159 I N 1.508 122.154 120.570 0.126 0.000 2.454 159 I HA -0.211 3.945 4.170 -0.023 0.000 0.254 159 I C 3.047 179.187 176.117 0.038 0.000 1.156 159 I CA 1.673 62.984 61.300 0.020 0.000 1.433 159 I CB -0.074 37.789 38.000 -0.228 0.000 1.082 159 I HN 0.356 nan 8.210 nan 0.000 0.432 160 S N 0.267 115.993 115.700 0.042 0.000 2.368 160 S HA -0.252 4.204 4.470 -0.023 0.000 0.225 160 S C 1.968 176.547 174.600 -0.035 0.000 1.030 160 S CA 1.188 59.374 58.200 -0.024 0.000 0.999 160 S CB -1.046 62.075 63.200 -0.130 0.000 0.844 160 S HN 0.579 nan 8.310 nan 0.000 0.459 161 Y N 2.218 122.488 120.300 -0.050 0.000 2.200 161 Y HA -0.000 4.536 4.550 -0.023 0.000 0.290 161 Y C 2.826 178.701 175.900 -0.041 0.000 1.137 161 Y CA 1.415 59.458 58.100 -0.096 0.000 1.163 161 Y CB -0.503 37.907 38.460 -0.082 0.000 0.988 161 Y HN 0.321 nan 8.280 nan 0.000 0.518 162 E N 0.248 120.552 120.200 0.173 0.000 2.038 162 E HA -0.270 4.066 4.350 -0.023 0.000 0.195 162 E C 2.441 179.102 176.600 0.101 0.000 1.000 162 E CA 1.210 57.678 56.400 0.114 0.000 0.803 162 E CB -0.355 29.408 29.700 0.106 0.000 0.750 162 E HN 0.488 nan 8.360 nan 0.000 0.448 163 A N 0.612 123.484 122.820 0.086 0.000 1.930 163 A HA -0.158 4.148 4.320 -0.023 0.000 0.217 163 A C 2.401 180.063 177.584 0.130 0.000 1.175 163 A CA 1.079 53.164 52.037 0.079 0.000 0.627 163 A CB -0.684 18.342 19.000 0.042 0.000 0.815 163 A HN 0.363 nan 8.150 nan 0.000 0.443 164 C N -1.229 118.171 119.300 0.166 0.000 2.435 164 C HA -0.025 4.422 4.460 -0.023 0.000 0.279 164 C C 3.227 178.396 174.990 0.299 0.000 1.321 164 C CA 1.143 60.358 59.018 0.328 0.000 1.752 164 C CB -1.107 26.712 27.740 0.130 0.000 1.959 164 C HN 0.675 nan 8.230 nan 0.000 0.500 165 S N 0.552 116.342 115.700 0.151 0.000 2.359 165 S HA -0.145 4.312 4.470 -0.023 0.000 0.224 165 S C 1.742 176.414 174.600 0.120 0.000 1.035 165 S CA 1.516 59.787 58.200 0.119 0.000 1.018 165 S CB -0.283 62.964 63.200 0.079 0.000 0.876 165 S HN 0.615 nan 8.310 nan 0.000 0.448 166 L N 0.861 122.159 121.223 0.125 0.000 2.083 166 L HA -0.071 4.255 4.340 -0.023 0.000 0.209 166 L C 2.845 179.810 176.870 0.158 0.000 1.083 166 L CA 1.163 56.089 54.840 0.144 0.000 0.752 166 L CB -0.591 41.548 42.059 0.133 0.000 0.899 166 L HN 0.418 nan 8.230 nan 0.000 0.433 167 A N 0.041 122.944 122.820 0.137 0.000 1.933 167 A HA -0.111 4.195 4.320 -0.023 0.000 0.218 167 A C 2.381 179.971 177.584 0.010 0.000 1.175 167 A CA 1.667 53.747 52.037 0.071 0.000 0.628 167 A CB -1.149 17.923 19.000 0.121 0.000 0.814 167 A HN 0.440 nan 8.150 nan 0.000 0.444 168 G N -0.141 108.697 108.800 0.063 0.000 2.404 168 G HA2 -0.126 3.821 3.960 -0.023 0.000 0.215 168 G HA3 -0.126 3.821 3.960 -0.023 0.000 0.215 168 G C 1.493 176.385 174.900 -0.014 0.000 1.174 168 G CA 1.108 46.218 45.100 0.017 0.000 0.780 168 G HN 0.484 nan 8.290 nan 0.000 0.537 169 L N 0.167 121.370 121.223 -0.033 0.000 2.013 169 L HA -0.122 4.204 4.340 -0.023 0.000 0.212 169 L C 2.321 179.029 176.870 -0.270 0.000 1.073 169 L CA 1.904 56.643 54.840 -0.169 0.000 0.753 169 L CB -0.511 41.395 42.059 -0.254 0.000 0.890 169 L HN 0.304 nan 8.230 nan 0.000 0.432 170 H N 0.327 119.402 119.070 0.008 0.000 2.539 170 H HA 0.129 4.671 4.556 -0.023 0.000 0.267 170 H C 0.204 175.537 175.328 0.009 0.000 0.982 170 H CA 0.310 56.379 56.048 0.034 0.000 1.146 170 H CB 0.088 29.891 29.762 0.069 0.000 1.382 170 H HN 0.354 nan 8.280 nan 0.000 0.577 171 K N 0.678 121.097 120.400 0.032 0.000 3.244 171 K HA -0.159 4.148 4.320 -0.023 0.000 0.270 171 K C -0.483 176.117 176.600 -0.001 0.000 1.016 171 K CA 0.012 56.294 56.287 -0.008 0.000 0.754 171 K CB -1.747 30.749 32.500 -0.006 0.000 1.326 171 K HN 0.258 nan 8.250 nan 0.000 0.465 172 L N 2.172 123.390 121.223 -0.008 0.000 2.382 172 L HA 0.019 4.345 4.340 -0.023 0.000 0.259 172 L C 1.241 178.105 176.870 -0.009 0.000 1.291 172 L CA -0.198 54.642 54.840 0.002 0.000 1.176 172 L CB -0.224 41.836 42.059 0.002 0.000 1.373 172 L HN 0.260 nan 8.230 nan 0.000 0.426 173 D N -0.161 120.224 120.400 -0.025 0.000 2.332 173 D HA -0.114 4.512 4.640 -0.023 0.000 0.244 173 D C 0.947 177.225 176.300 -0.037 0.000 1.136 173 D CA 0.072 54.051 54.000 -0.036 0.000 0.884 173 D CB -0.115 40.666 40.800 -0.032 0.000 0.906 173 D HN 0.463 nan 8.370 nan 0.000 0.520 174 N N -0.236 118.448 118.700 -0.026 0.000 2.205 174 N HA 0.030 4.757 4.740 -0.023 0.000 0.201 174 N C -0.692 174.816 175.510 -0.003 0.000 1.128 174 N CA -0.586 52.430 53.050 -0.056 0.000 0.867 174 N CB -0.227 38.196 38.487 -0.107 0.000 0.996 174 N HN 0.109 nan 8.380 nan 0.000 0.503 175 F N 1.700 121.567 119.950 -0.139 0.000 2.426 175 F HA 0.608 5.122 4.527 -0.021 0.000 0.348 175 F C -1.022 174.725 175.800 -0.089 0.000 1.124 175 F CA -2.108 55.830 58.000 -0.104 0.000 1.008 175 F CB 0.780 39.744 39.000 -0.060 0.000 1.139 175 F HN -0.139 nan 8.300 nan 0.000 0.452 176 I N 7.677 127.999 120.570 -0.413 0.000 2.439 176 I HA 0.280 4.436 4.170 -0.023 0.000 0.285 176 I C -1.445 174.371 176.117 -0.503 0.000 1.021 176 I CA -0.964 60.082 61.300 -0.422 0.000 1.091 176 I CB 1.820 39.684 38.000 -0.226 0.000 1.242 176 I HN 0.420 nan 8.210 nan 0.000 0.439 177 L N 8.637 129.509 121.223 -0.585 0.000 2.287 177 L HA 0.592 4.918 4.340 -0.023 0.000 0.287 177 L C -0.787 175.954 176.870 -0.215 0.000 1.022 177 L CA -0.059 54.543 54.840 -0.398 0.000 0.814 177 L CB 1.053 42.856 42.059 -0.427 0.000 1.217 177 L HN 0.397 nan 8.230 nan 0.000 0.420 178 I N 6.113 126.607 120.570 -0.128 0.000 2.359 178 I HA 0.193 4.349 4.170 -0.023 0.000 0.284 178 I C -1.199 174.882 176.117 -0.061 0.000 1.018 178 I CA -0.751 60.483 61.300 -0.110 0.000 1.173 178 I CB 0.882 38.808 38.000 -0.122 0.000 1.326 178 I HN 0.522 nan 8.210 nan 0.000 0.462 179 Y N 6.347 126.515 120.300 -0.220 0.000 2.383 179 Y HA 0.254 4.790 4.550 -0.023 0.000 0.344 179 Y C 0.027 175.823 175.900 -0.172 0.000 0.986 179 Y CA -1.414 56.567 58.100 -0.199 0.000 1.175 179 Y CB 0.647 38.962 38.460 -0.242 0.000 1.152 179 Y HN 0.485 nan 8.280 nan 0.000 0.511 180 D N 4.326 124.658 120.400 -0.113 0.000 2.416 180 D HA 0.020 4.646 4.640 -0.023 0.000 0.240 180 D C -0.538 175.492 176.300 -0.450 0.000 1.250 180 D CA 0.373 54.219 54.000 -0.257 0.000 0.967 180 D CB 0.200 40.926 40.800 -0.123 0.000 1.059 180 D HN 0.423 nan 8.370 nan 0.000 0.512 181 S N 3.194 118.442 115.700 -0.753 0.000 2.681 181 S HA 0.095 4.551 4.470 -0.023 0.000 0.313 181 S C 0.846 175.264 174.600 -0.302 0.000 1.137 181 S CA -0.777 56.993 58.200 -0.716 0.000 1.045 181 S CB -0.384 62.272 63.200 -0.907 0.000 1.208 181 S HN 0.526 nan 8.310 nan 0.000 0.523 182 N N 3.719 122.321 118.700 -0.164 0.000 2.203 182 N HA 0.085 4.812 4.740 -0.023 0.000 0.207 182 N C 0.076 175.576 175.510 -0.017 0.000 1.130 182 N CA -0.271 52.739 53.050 -0.065 0.000 0.861 182 N CB -0.425 38.051 38.487 -0.018 0.000 1.005 182 N HN 0.588 nan 8.380 nan 0.000 0.507 183 N N -0.077 118.614 118.700 -0.016 0.000 2.713 183 N HA -0.150 4.577 4.740 -0.023 0.000 0.251 183 N C -1.046 174.485 175.510 0.035 0.000 1.117 183 N CA 0.835 53.898 53.050 0.020 0.000 0.770 183 N CB -0.881 37.618 38.487 0.020 0.000 1.137 183 N HN 0.396 nan 8.380 nan 0.000 0.566 184 I N 0.455 121.047 120.570 0.037 0.000 2.582 184 I HA 0.333 4.490 4.170 -0.023 0.000 0.292 184 I C 0.701 176.837 176.117 0.031 0.000 1.066 184 I CA -0.321 61.010 61.300 0.052 0.000 1.053 184 I CB 2.152 40.203 38.000 0.086 0.000 1.241 184 I HN 0.114 nan 8.210 nan 0.000 0.421 185 S N 5.177 120.877 115.700 -0.000 0.000 2.851 185 S HA 0.606 5.063 4.470 -0.023 0.000 0.313 185 S C 0.971 175.507 174.600 -0.106 0.000 1.163 185 S CA -0.758 57.394 58.200 -0.080 0.000 0.850 185 S CB 1.517 64.664 63.200 -0.088 0.000 1.245 185 S HN 0.463 nan 8.310 nan 0.000 0.558 186 I N 1.061 121.500 120.570 -0.218 0.000 2.286 186 I HA -0.101 4.056 4.170 -0.023 0.000 0.248 186 I C 2.256 178.312 176.117 -0.101 0.000 1.115 186 I CA 1.416 62.614 61.300 -0.168 0.000 1.392 186 I CB -0.372 37.500 38.000 -0.212 0.000 1.065 186 I HN 0.728 nan 8.210 nan 0.000 0.418 187 E N 0.494 120.620 120.200 -0.124 0.000 2.502 187 E HA 0.118 4.454 4.350 -0.023 0.000 0.194 187 E C 1.034 177.503 176.600 -0.219 0.000 1.062 187 E CA 0.440 56.749 56.400 -0.152 0.000 0.867 187 E CB 0.241 29.885 29.700 -0.093 0.000 0.888 187 E HN 0.619 nan 8.360 nan 0.000 0.510 188 G N 1.355 110.037 108.800 -0.197 0.000 2.541 188 G HA2 -0.211 3.735 3.960 -0.023 0.000 0.208 188 G HA3 -0.211 3.735 3.960 -0.023 0.000 0.208 188 G C -0.990 173.890 174.900 -0.033 0.000 1.191 188 G CA -0.367 44.631 45.100 -0.171 0.000 1.217 188 G HN 0.214 nan 8.290 nan 0.000 0.566 189 D N 0.769 121.160 120.400 -0.014 0.000 2.389 189 D HA 0.343 4.970 4.640 -0.023 0.000 0.247 189 D C 1.929 178.245 176.300 0.026 0.000 1.128 189 D CA 0.380 54.391 54.000 0.019 0.000 0.884 189 D CB 1.669 42.481 40.800 0.021 0.000 1.194 189 D HN 0.182 nan 8.370 nan 0.000 0.441 190 V N 4.148 124.089 119.914 0.045 0.000 2.490 190 V HA -0.182 3.924 4.120 -0.023 0.000 0.250 190 V C 2.337 178.501 176.094 0.117 0.000 1.061 190 V CA 2.140 64.483 62.300 0.072 0.000 1.064 190 V CB -0.425 31.446 31.823 0.080 0.000 0.670 190 V HN 0.790 nan 8.190 nan 0.000 0.461 191 G N -0.568 108.290 108.800 0.097 0.000 2.535 191 G HA2 -0.159 3.787 3.960 -0.023 0.000 0.218 191 G HA3 -0.159 3.787 3.960 -0.023 0.000 0.218 191 G C 1.469 176.408 174.900 0.066 0.000 1.122 191 G CA 0.340 45.495 45.100 0.092 0.000 0.769 191 G HN 0.499 nan 8.290 nan 0.000 0.549 192 L N -0.349 120.905 121.223 0.050 0.000 2.191 192 L HA -0.004 4.322 4.340 -0.023 0.000 0.212 192 L C 2.670 179.568 176.870 0.046 0.000 1.103 192 L CA 1.312 56.170 54.840 0.031 0.000 0.769 192 L CB -0.034 42.030 42.059 0.009 0.000 0.908 192 L HN 0.349 nan 8.230 nan 0.000 0.438 193 A N -2.528 120.344 122.820 0.086 0.000 2.653 193 A HA 0.271 4.577 4.320 -0.023 0.000 0.248 193 A C -0.100 177.612 177.584 0.212 0.000 1.211 193 A CA -0.241 51.862 52.037 0.110 0.000 0.991 193 A CB 0.613 19.667 19.000 0.089 0.000 1.252 193 A HN 0.173 nan 8.150 nan 0.000 0.593 194 F N 1.403 121.368 119.950 0.025 0.000 2.623 194 F HA 0.459 4.972 4.527 -0.023 0.000 0.323 194 F C -1.041 174.785 175.800 0.042 0.000 1.158 194 F CA -0.545 57.479 58.000 0.040 0.000 1.030 194 F CB 1.626 40.657 39.000 0.052 0.000 1.280 194 F HN 0.070 nan 8.300 nan 0.000 0.474 195 N N 3.219 121.729 118.700 -0.318 0.000 2.381 195 N HA 0.081 4.808 4.740 -0.023 0.000 0.257 195 N C -1.063 174.244 175.510 -0.338 0.000 1.409 195 N CA -0.400 52.529 53.050 -0.202 0.000 0.836 195 N CB -0.102 38.343 38.487 -0.069 0.000 1.384 195 N HN 0.641 nan 8.380 nan 0.000 0.490 196 E N 0.659 120.421 120.200 -0.730 0.000 2.418 196 E HA -0.007 4.330 4.350 -0.023 0.000 0.261 196 E C -0.261 176.249 176.600 -0.151 0.000 1.070 196 E CA -0.224 55.907 56.400 -0.448 0.000 0.931 196 E CB 0.615 29.986 29.700 -0.549 0.000 0.954 196 E HN 0.180 nan 8.360 nan 0.000 0.439 197 N N 2.315 120.978 118.700 -0.061 0.000 2.421 197 N HA -0.021 4.706 4.740 -0.023 0.000 0.260 197 N C 0.429 175.988 175.510 0.080 0.000 1.173 197 N CA 0.061 53.123 53.050 0.020 0.000 0.960 197 N CB 0.672 39.167 38.487 0.013 0.000 1.273 197 N HN 0.227 nan 8.380 nan 0.000 0.497 198 V N 3.221 123.226 119.914 0.153 0.000 2.358 198 V HA -0.155 3.951 4.120 -0.023 0.000 0.246 198 V C 1.653 177.886 176.094 0.232 0.000 1.047 198 V CA 1.306 63.754 62.300 0.246 0.000 1.035 198 V CB -0.562 31.448 31.823 0.311 0.000 0.658 198 V HN 0.624 nan 8.190 nan 0.000 0.452 202 F N 2.587 122.485 119.950 -0.086 0.000 2.293 202 F HA 0.196 4.709 4.527 -0.023 0.000 0.297 202 F C 1.957 177.781 175.800 0.040 0.000 1.089 202 F CA 1.482 59.377 58.000 -0.175 0.000 1.377 202 F CB 0.211 38.984 39.000 -0.378 0.000 1.051 202 F HN 0.168 nan 8.300 nan 0.000 0.511 203 E N 0.048 120.376 120.200 0.213 0.000 2.153 203 E HA -0.183 4.154 4.350 -0.023 0.000 0.194 203 E C 2.332 179.014 176.600 0.136 0.000 0.988 203 E CA 0.896 57.403 56.400 0.179 0.000 0.811 203 E CB -0.278 29.497 29.700 0.125 0.000 0.746 203 E HN 0.372 nan 8.360 nan 0.000 0.466 204 A N 1.047 123.921 122.820 0.090 0.000 2.015 204 A HA -0.174 4.132 4.320 -0.023 0.000 0.219 204 A C 1.747 179.374 177.584 0.071 0.000 1.163 204 A CA 1.042 53.114 52.037 0.058 0.000 0.646 204 A CB -0.098 18.917 19.000 0.025 0.000 0.806 204 A HN 0.163 nan 8.150 nan 0.000 0.448 205 Q N -1.412 118.453 119.800 0.108 0.000 2.201 205 Q HA 0.336 4.662 4.340 -0.023 0.000 0.217 205 Q C 0.691 176.877 176.000 0.309 0.000 0.860 205 Q CA 0.186 56.090 55.803 0.168 0.000 0.984 205 Q CB 0.330 29.131 28.738 0.104 0.000 1.095 205 Q HN 0.792 nan 8.270 nan 0.000 0.477 206 G N 0.773 109.726 108.800 0.254 0.000 2.137 206 G HA2 -0.261 3.686 3.960 -0.023 0.000 0.237 206 G HA3 -0.261 3.686 3.960 -0.023 0.000 0.237 206 G C -0.336 174.685 174.900 0.201 0.000 1.002 206 G CA -0.293 44.914 45.100 0.178 0.000 0.702 206 G HN 0.252 nan 8.290 nan 0.000 0.515 207 F N 0.450 120.473 119.950 0.123 0.000 2.399 207 F HA 0.595 5.108 4.527 -0.023 0.000 0.328 207 F C 0.757 176.604 175.800 0.079 0.000 1.084 207 F CA -1.088 56.989 58.000 0.128 0.000 1.053 207 F CB 1.279 40.406 39.000 0.211 0.000 1.209 207 F HN 0.157 nan 8.300 nan 0.000 0.502 208 E N 1.353 121.682 120.200 0.215 0.000 2.283 208 E HA 0.517 4.853 4.350 -0.023 0.000 0.278 208 E C -1.651 175.029 176.600 0.133 0.000 1.027 208 E CA -0.422 56.058 56.400 0.133 0.000 0.843 208 E CB 1.069 30.804 29.700 0.059 0.000 1.062 208 E HN 0.400 nan 8.360 nan 0.000 0.401 209 V N 6.252 126.216 119.914 0.084 0.000 2.444 209 V HA 0.347 4.454 4.120 -0.023 0.000 0.294 209 V C -0.217 175.878 176.094 0.001 0.000 1.022 209 V CA -0.736 61.583 62.300 0.032 0.000 0.850 209 V CB 1.119 32.960 31.823 0.030 0.000 0.992 209 V HN 0.626 nan 8.190 nan 0.000 0.426 210 L N 3.106 124.312 121.223 -0.028 0.000 2.334 210 L HA 0.758 5.084 4.340 -0.023 0.000 0.272 210 L C 0.063 176.901 176.870 -0.055 0.000 1.020 210 L CA -0.321 54.497 54.840 -0.037 0.000 0.812 210 L CB 2.088 44.122 42.059 -0.042 0.000 1.264 210 L HN 0.565 nan 8.230 nan 0.000 0.439 211 S N 2.867 118.537 115.700 -0.051 0.000 2.594 211 S HA 0.779 5.235 4.470 -0.023 0.000 0.296 211 S C -0.624 173.933 174.600 -0.072 0.000 1.124 211 S CA -0.560 57.601 58.200 -0.065 0.000 1.011 211 S CB 1.808 64.981 63.200 -0.046 0.000 1.016 211 S HN 0.556 nan 8.310 nan 0.000 0.485 212 I N 0.171 120.683 120.570 -0.098 0.000 3.191 212 I HA 0.663 4.819 4.170 -0.023 0.000 0.313 212 I C -0.960 175.079 176.117 -0.129 0.000 1.193 212 I CA -1.065 60.173 61.300 -0.103 0.000 0.968 212 I CB 1.838 39.773 38.000 -0.109 0.000 1.262 212 I HN 0.422 nan 8.210 nan 0.000 0.456 213 N N 2.274 120.900 118.700 -0.123 0.000 2.411 213 N HA 0.266 4.992 4.740 -0.023 0.000 0.259 213 N C 0.736 176.115 175.510 -0.219 0.000 1.103 213 N CA 0.096 53.058 53.050 -0.146 0.000 0.954 213 N CB 1.549 39.977 38.487 -0.098 0.000 1.085 213 N HN 0.928 nan 8.380 nan 0.000 0.485 214 G N 2.193 110.791 108.800 -0.337 0.000 2.848 214 G HA2 -0.101 3.845 3.960 -0.023 0.000 0.208 214 G HA3 -0.101 3.845 3.960 -0.023 0.000 0.208 214 G C 0.534 175.065 174.900 -0.615 0.000 1.152 214 G CA 0.255 45.086 45.100 -0.448 0.000 0.789 214 G HN 0.725 nan 8.290 nan 0.000 0.531 215 H N -0.348 118.592 119.070 -0.216 0.000 2.592 215 H HA 0.149 4.691 4.556 -0.023 0.000 0.279 215 H C -0.537 174.527 175.328 -0.440 0.000 1.089 215 H CA -0.372 55.489 56.048 -0.311 0.000 1.150 215 H CB 1.002 30.629 29.762 -0.225 0.000 1.575 215 H HN 0.282 nan 8.280 nan 0.000 0.547 216 D N 0.429 120.661 120.400 -0.280 0.000 2.427 216 D HA 0.009 4.635 4.640 -0.023 0.000 0.226 216 D C 0.344 176.508 176.300 -0.227 0.000 1.076 216 D CA -0.561 53.286 54.000 -0.255 0.000 0.849 216 D CB 0.708 41.435 40.800 -0.120 0.000 1.052 216 D HN 0.048 nan 8.370 nan 0.000 0.515 217 Y N 2.329 122.622 120.300 -0.011 0.000 2.224 217 Y HA -0.137 4.399 4.550 -0.023 0.000 0.289 217 Y C 2.365 178.244 175.900 -0.035 0.000 1.146 217 Y CA 0.904 58.989 58.100 -0.026 0.000 1.182 217 Y CB -0.091 38.352 38.460 -0.028 0.000 0.983 217 Y HN 0.488 nan 8.280 nan 0.000 0.524 218 E N 0.104 120.368 120.200 0.106 0.000 2.106 218 E HA -0.190 4.146 4.350 -0.023 0.000 0.192 218 E C 1.960 178.569 176.600 0.016 0.000 0.984 218 E CA 1.102 57.530 56.400 0.048 0.000 0.806 218 E CB -0.025 29.694 29.700 0.032 0.000 0.750 218 E HN 0.564 nan 8.360 nan 0.000 0.458 219 E N 0.188 120.382 120.200 -0.011 0.000 2.106 219 E HA -0.178 4.158 4.350 -0.023 0.000 0.192 219 E C 2.089 178.663 176.600 -0.043 0.000 0.984 219 E CA 0.803 57.183 56.400 -0.034 0.000 0.806 219 E CB -0.021 29.645 29.700 -0.057 0.000 0.750 219 E HN 0.310 nan 8.360 nan 0.000 0.458 220 I N 1.363 121.906 120.570 -0.046 0.000 2.179 220 I HA -0.283 3.874 4.170 -0.023 0.000 0.242 220 I C 2.385 178.480 176.117 -0.037 0.000 1.088 220 I CA 1.125 62.392 61.300 -0.055 0.000 1.357 220 I CB -0.322 37.651 38.000 -0.044 0.000 1.051 220 I HN 0.087 nan 8.210 nan 0.000 0.409 221 N N 1.242 119.954 118.700 0.019 0.000 2.104 221 N HA -0.266 4.460 4.740 -0.023 0.000 0.190 221 N C 1.838 177.365 175.510 0.029 0.000 1.024 221 N CA 1.625 54.712 53.050 0.060 0.000 0.853 221 N CB -0.120 38.424 38.487 0.094 0.000 1.008 221 N HN 0.178 nan 8.380 nan 0.000 0.424 222 K N -0.407 120.000 120.400 0.013 0.000 2.097 222 K HA -0.046 4.261 4.320 -0.023 0.000 0.206 222 K C 1.817 178.407 176.600 -0.017 0.000 1.049 222 K CA 1.259 57.550 56.287 0.007 0.000 0.933 222 K CB -0.245 32.256 32.500 0.002 0.000 0.717 222 K HN 0.259 nan 8.250 nan 0.000 0.442 223 A N 1.012 123.807 122.820 -0.041 0.000 1.930 223 A HA -0.074 4.232 4.320 -0.023 0.000 0.217 223 A C 2.059 179.599 177.584 -0.074 0.000 1.175 223 A CA 1.125 53.129 52.037 -0.055 0.000 0.627 223 A CB -0.515 18.444 19.000 -0.068 0.000 0.815 223 A HN 0.304 nan 8.150 nan 0.000 0.443 224 L N -0.587 120.558 121.223 -0.130 0.000 2.046 224 L HA -0.165 4.162 4.340 -0.023 0.000 0.208 224 L C 2.621 179.405 176.870 -0.143 0.000 1.077 224 L CA 1.177 55.891 54.840 -0.211 0.000 0.747 224 L CB -0.546 41.193 42.059 -0.532 0.000 0.896 224 L HN 0.320 nan 8.230 nan 0.000 0.432 225 E N 0.041 120.204 120.200 -0.062 0.000 2.085 225 E HA -0.298 4.038 4.350 -0.023 0.000 0.194 225 E C 2.092 178.709 176.600 0.028 0.000 0.994 225 E CA 1.395 57.824 56.400 0.047 0.000 0.801 225 E CB -0.158 29.596 29.700 0.090 0.000 0.743 225 E HN 0.546 nan 8.360 nan 0.000 0.453 226 Q N 0.175 119.979 119.800 0.005 0.000 2.119 226 Q HA -0.087 4.239 4.340 -0.023 0.000 0.201 226 Q C 2.040 178.039 176.000 -0.002 0.000 0.972 226 Q CA 1.415 57.221 55.803 0.004 0.000 0.847 226 Q CB -0.059 28.677 28.738 -0.003 0.000 0.903 226 Q HN 0.210 nan 8.270 nan 0.000 0.433 227 A N 0.974 123.785 122.820 -0.015 0.000 1.933 227 A HA -0.182 4.124 4.320 -0.023 0.000 0.218 227 A C 1.888 179.463 177.584 -0.015 0.000 1.175 227 A CA 1.587 53.611 52.037 -0.022 0.000 0.628 227 A CB -0.324 18.656 19.000 -0.033 0.000 0.814 227 A HN 0.333 nan 8.150 nan 0.000 0.444 228 K N -0.258 120.149 120.400 0.011 0.000 2.283 228 K HA -0.059 4.247 4.320 -0.023 0.000 0.202 228 K C 1.378 177.992 176.600 0.022 0.000 1.048 228 K CA 1.232 57.536 56.287 0.028 0.000 0.948 228 K CB -0.037 32.517 32.500 0.090 0.000 0.742 228 K HN 0.396 nan 8.250 nan 0.000 0.458 229 K N 0.433 120.845 120.400 0.021 0.000 2.374 229 K HA 0.093 4.400 4.320 -0.023 0.000 0.196 229 K C 0.440 177.043 176.600 0.006 0.000 1.023 229 K CA -0.158 56.140 56.287 0.018 0.000 1.103 229 K CB 0.727 33.241 32.500 0.024 0.000 0.848 229 K HN -0.065 nan 8.250 nan 0.000 0.528 230 S N 1.112 116.810 115.700 -0.005 0.000 2.573 230 S HA -0.019 4.437 4.470 -0.023 0.000 0.277 230 S C 1.167 175.759 174.600 -0.013 0.000 1.346 230 S CA -0.049 58.145 58.200 -0.009 0.000 1.034 230 S CB 0.690 63.878 63.200 -0.019 0.000 0.879 230 S HN 0.407 nan 8.310 nan 0.000 0.528 231 T N 1.167 115.715 114.554 -0.011 0.000 3.105 231 T HA 0.382 4.719 4.350 -0.023 0.000 0.253 231 T C 0.159 174.844 174.700 -0.025 0.000 1.047 231 T CA -0.142 61.950 62.100 -0.013 0.000 0.944 231 T CB -0.144 68.720 68.868 -0.006 0.000 1.016 231 T HN 0.503 nan 8.240 nan 0.000 0.544 232 K N 1.572 121.949 120.400 -0.038 0.000 2.444 232 K HA 0.515 4.821 4.320 -0.023 0.000 0.252 232 K C -3.044 173.478 176.600 -0.130 0.000 0.993 232 K CA -2.814 53.428 56.287 -0.075 0.000 0.847 232 K CB 1.681 34.154 32.500 -0.044 0.000 1.340 232 K HN -0.102 nan 8.250 nan 0.000 0.446 233 P HA -0.071 nan 4.420 nan 0.000 0.266 233 P C -0.606 176.515 177.300 -0.299 0.000 1.195 233 P CA -0.157 62.708 63.100 -0.392 0.000 0.768 233 P CB 0.475 31.677 31.700 -0.830 0.000 0.838 234 C N 4.902 124.129 119.300 -0.123 0.000 2.417 234 C HA 0.658 5.104 4.460 -0.023 0.000 0.324 234 C C -0.584 174.440 174.990 0.058 0.000 1.240 234 C CA -0.672 58.364 59.018 0.031 0.000 1.632 234 C CB 0.185 27.899 27.740 -0.043 0.000 2.241 234 C HN 0.582 nan 8.230 nan 0.000 0.499 235 L N 7.073 128.337 121.223 0.067 0.000 2.305 235 L HA 0.683 5.009 4.340 -0.023 0.000 0.284 235 L C -0.676 176.103 176.870 -0.151 0.000 1.013 235 L CA -0.067 54.661 54.840 -0.186 0.000 0.819 235 L CB 1.064 42.801 42.059 -0.536 0.000 1.227 235 L HN 0.654 nan 8.230 nan 0.000 0.417 236 I N 6.553 127.032 120.570 -0.153 0.000 2.304 236 I HA 0.314 4.470 4.170 -0.023 0.000 0.291 236 I C -0.325 175.714 176.117 -0.130 0.000 1.018 236 I CA -0.231 60.994 61.300 -0.125 0.000 1.260 236 I CB 0.954 38.887 38.000 -0.113 0.000 1.390 236 I HN 0.501 nan 8.210 nan 0.000 0.475 237 I N 6.573 127.071 120.570 -0.120 0.000 2.291 237 I HA 0.353 4.510 4.170 -0.023 0.000 0.292 237 I C 0.451 176.449 176.117 -0.198 0.000 1.064 237 I CA -0.154 61.064 61.300 -0.137 0.000 1.269 237 I CB 0.920 38.874 38.000 -0.075 0.000 1.418 237 I HN 0.595 nan 8.210 nan 0.000 0.485 238 A N 7.184 129.842 122.820 -0.271 0.000 2.322 238 A HA 0.321 4.627 4.320 -0.023 0.000 0.327 238 A C 0.009 177.400 177.584 -0.322 0.000 1.394 238 A CA -0.675 51.199 52.037 -0.270 0.000 0.921 238 A CB 0.336 19.181 19.000 -0.258 0.000 1.153 238 A HN 0.714 nan 8.150 nan 0.000 0.523 239 K N 2.592 122.832 120.400 -0.266 0.000 2.378 239 K HA 0.319 4.625 4.320 -0.023 0.000 0.288 239 K C 0.153 176.604 176.600 -0.249 0.000 1.057 239 K CA 0.453 56.601 56.287 -0.233 0.000 0.971 239 K CB 0.259 32.669 32.500 -0.151 0.000 0.975 239 K HN 0.795 nan 8.250 nan 0.000 0.475 240 T N -0.055 114.369 114.554 -0.217 0.000 2.887 240 T HA 0.375 4.711 4.350 -0.023 0.000 0.292 240 T C -0.429 174.320 174.700 0.083 0.000 1.087 240 T CA -0.819 61.188 62.100 -0.154 0.000 1.009 240 T CB 1.781 70.496 68.868 -0.256 0.000 1.203 240 T HN 0.296 nan 8.240 nan 0.000 0.518 241 T N 2.025 116.771 114.554 0.320 0.000 2.758 241 T HA 0.463 4.799 4.350 -0.023 0.000 0.285 241 T C 0.236 174.990 174.700 0.091 0.000 0.981 241 T CA -0.550 61.627 62.100 0.128 0.000 0.965 241 T CB 0.516 69.407 68.868 0.039 0.000 0.927 241 T HN 0.723 nan 8.240 nan 0.000 0.448 242 I N 3.096 123.699 120.570 0.056 0.000 2.775 242 I HA 0.247 4.403 4.170 -0.023 0.000 0.290 242 I C 0.977 177.110 176.117 0.027 0.000 1.203 242 I CA 0.555 61.888 61.300 0.055 0.000 1.433 242 I CB 0.225 38.271 38.000 0.077 0.000 1.354 242 I HN 1.002 nan 8.210 nan 0.000 0.579 243 A N 4.268 127.098 122.820 0.017 0.000 2.872 243 A HA -0.259 4.047 4.320 -0.023 0.000 0.273 243 A C 0.659 178.214 177.584 -0.048 0.000 1.442 243 A CA 1.098 53.127 52.037 -0.013 0.000 0.801 243 A CB -1.971 17.027 19.000 -0.004 0.000 1.031 243 A HN 0.791 nan 8.150 nan 0.000 0.582 244 K N -0.015 120.341 120.400 -0.073 0.000 2.491 244 K HA 0.360 4.666 4.320 -0.023 0.000 0.279 244 K C 1.554 178.062 176.600 -0.154 0.000 1.026 244 K CA 1.856 58.038 56.287 -0.176 0.000 1.070 244 K CB -0.361 31.932 32.500 -0.345 0.000 0.887 244 K HN 1.880 nan 8.250 nan 0.000 0.481 245 G N 2.407 111.129 108.800 -0.130 0.000 2.213 245 G HA2 -0.260 3.686 3.960 -0.023 0.000 0.236 245 G HA3 -0.260 3.686 3.960 -0.023 0.000 0.236 245 G C 0.486 175.380 174.900 -0.010 0.000 0.991 245 G CA 0.223 45.278 45.100 -0.075 0.000 0.629 245 G HN 0.967 nan 8.290 nan 0.000 0.517 246 A N 0.675 123.484 122.820 -0.019 0.000 2.797 246 A HA 0.659 4.965 4.320 -0.023 0.000 0.287 246 A C 2.311 179.896 177.584 0.001 0.000 1.369 246 A CA 1.356 53.398 52.037 0.009 0.000 0.968 246 A CB -0.945 18.056 19.000 0.002 0.000 1.069 246 A HN 2.360 nan 8.150 nan 0.000 0.571 247 G N 1.754 110.553 108.800 -0.001 0.000 2.699 247 G HA2 -0.509 3.437 3.960 -0.023 0.000 0.347 247 G HA3 -0.509 3.437 3.960 -0.023 0.000 0.347 247 G C 1.042 175.936 174.900 -0.010 0.000 1.225 247 G CA 1.261 46.358 45.100 -0.005 0.000 0.973 247 G HN 0.921 nan 8.290 nan 0.000 0.551 248 E N 0.678 120.873 120.200 -0.009 0.000 2.265 248 E HA 0.091 4.427 4.350 -0.023 0.000 0.196 248 E C 2.451 179.041 176.600 -0.018 0.000 0.996 248 E CA 1.376 57.769 56.400 -0.012 0.000 0.832 248 E CB -0.172 29.521 29.700 -0.011 0.000 0.756 248 E HN 0.524 nan 8.360 nan 0.000 0.491 249 L N 1.098 122.310 121.223 -0.018 0.000 2.592 249 L HA 0.109 4.435 4.340 -0.023 0.000 0.227 249 L C 0.565 177.423 176.870 -0.020 0.000 1.127 249 L CA -0.107 54.718 54.840 -0.025 0.000 0.884 249 L CB -0.098 41.947 42.059 -0.023 0.000 1.065 249 L HN 0.096 nan 8.230 nan 0.000 0.457 250 E N 0.650 120.838 120.200 -0.019 0.000 2.465 250 E HA 0.065 4.401 4.350 -0.023 0.000 0.260 250 E C 1.085 177.679 176.600 -0.009 0.000 0.980 250 E CA 0.692 57.080 56.400 -0.021 0.000 0.927 250 E CB 0.437 30.117 29.700 -0.033 0.000 0.934 250 E HN 0.339 nan 8.360 nan 0.000 0.459 251 G N 2.923 111.725 108.800 0.004 0.000 2.168 251 G HA2 -0.322 3.624 3.960 -0.023 0.000 0.263 251 G HA3 -0.322 3.624 3.960 -0.023 0.000 0.263 251 G C 0.334 175.252 174.900 0.031 0.000 0.977 251 G CA 0.612 45.725 45.100 0.020 0.000 0.659 251 G HN 0.517 nan 8.290 nan 0.000 0.533 252 S N 0.263 115.967 115.700 0.008 0.000 2.525 252 S HA 0.496 4.952 4.470 -0.023 0.000 0.278 252 S C 1.760 176.347 174.600 -0.022 0.000 1.234 252 S CA 0.354 58.536 58.200 -0.030 0.000 1.058 252 S CB 0.431 63.576 63.200 -0.092 0.000 0.983 252 S HN 0.590 nan 8.310 nan 0.000 0.495 253 H N 4.362 123.459 119.070 0.045 0.000 2.518 253 H HA 0.048 4.590 4.556 -0.023 0.000 0.289 253 H C 0.986 176.364 175.328 0.083 0.000 1.051 253 H CA 1.029 57.114 56.048 0.062 0.000 1.280 253 H CB -0.108 29.673 29.762 0.032 0.000 1.380 253 H HN 0.640 nan 8.280 nan 0.000 0.566 254 K N 1.185 121.285 120.400 -0.500 0.000 2.283 254 K HA -0.070 4.236 4.320 -0.023 0.000 0.202 254 K C 2.312 178.874 176.600 -0.064 0.000 1.048 254 K CA 1.216 57.348 56.287 -0.259 0.000 0.948 254 K CB 0.104 32.436 32.500 -0.280 0.000 0.742 254 K HN 0.406 nan 8.250 nan 0.000 0.458 255 S N -0.064 115.620 115.700 -0.027 0.000 2.522 255 S HA -0.120 4.337 4.470 -0.023 0.000 0.227 255 S C 1.781 176.416 174.600 0.058 0.000 0.986 255 S CA 0.627 58.834 58.200 0.012 0.000 0.929 255 S CB -0.276 62.932 63.200 0.014 0.000 0.769 255 S HN 0.424 nan 8.310 nan 0.000 0.529 256 H N 2.234 121.338 119.070 0.057 0.000 2.319 256 H HA 0.078 4.620 4.556 -0.023 0.000 0.299 256 H C 1.495 176.914 175.328 0.152 0.000 1.092 256 H CA 2.003 58.124 56.048 0.123 0.000 1.302 256 H CB -0.610 29.220 29.762 0.114 0.000 1.373 256 H HN 0.490 nan 8.280 nan 0.000 0.497 257 G N -1.605 107.121 108.800 -0.123 0.000 4.908 257 G HA2 0.577 4.523 3.960 -0.023 0.000 0.267 257 G HA3 0.577 4.523 3.960 -0.023 0.000 0.267 257 G C -0.827 173.927 174.900 -0.244 0.000 0.958 257 G CA 0.241 45.126 45.100 -0.358 0.000 0.743 257 G HN 0.644 nan 8.290 nan 0.000 0.410 258 A N 0.207 122.950 122.820 -0.129 0.000 2.556 258 A HA 0.946 5.252 4.320 -0.023 0.000 0.294 258 A C -3.105 174.449 177.584 -0.051 0.000 1.091 258 A CA -1.467 50.522 52.037 -0.080 0.000 0.704 258 A CB 1.723 20.700 19.000 -0.037 0.000 1.300 258 A HN 0.005 nan 8.150 nan 0.000 0.406 259 P HA 0.232 nan 4.420 nan 0.000 0.269 259 P C 0.640 177.935 177.300 -0.007 0.000 1.215 259 P CA -0.144 62.955 63.100 -0.003 0.000 0.780 259 P CB 0.457 32.163 31.700 0.011 0.000 0.898 260 L N 0.857 122.079 121.223 -0.002 0.000 2.217 260 L HA 0.135 4.461 4.340 -0.023 0.000 0.211 260 L C 1.162 178.030 176.870 -0.003 0.000 1.107 260 L CA 1.060 55.898 54.840 -0.004 0.000 0.783 260 L CB -0.966 41.095 42.059 0.003 0.000 0.919 260 L HN 0.711 nan 8.230 nan 0.000 0.442 261 G N -0.064 108.736 108.800 0.000 0.000 2.712 261 G HA2 -0.162 3.784 3.960 -0.023 0.000 0.686 261 G HA3 -0.162 3.784 3.960 -0.023 0.000 0.686 261 G C 0.110 175.008 174.900 -0.002 0.000 1.181 261 G CA -0.348 44.752 45.100 -0.000 0.000 0.762 261 G HN 0.202 nan 8.290 nan 0.000 0.641 262 E N 0.337 120.536 120.200 -0.001 0.000 2.085 262 E HA -0.153 4.183 4.350 -0.023 0.000 0.194 262 E C 2.070 178.661 176.600 -0.014 0.000 0.994 262 E CA 1.480 57.876 56.400 -0.006 0.000 0.801 262 E CB 0.047 29.746 29.700 -0.001 0.000 0.743 262 E HN 0.583 nan 8.360 nan 0.000 0.453 263 E N 0.529 120.722 120.200 -0.011 0.000 2.106 263 E HA -0.112 4.224 4.350 -0.023 0.000 0.192 263 E C 2.347 178.938 176.600 -0.015 0.000 0.984 263 E CA 0.522 56.914 56.400 -0.014 0.000 0.806 263 E CB -0.240 29.454 29.700 -0.009 0.000 0.750 263 E HN 0.114 nan 8.360 nan 0.000 0.458 264 V N 1.622 121.531 119.914 -0.009 0.000 2.343 264 V HA -0.238 3.868 4.120 -0.023 0.000 0.247 264 V C 2.406 178.499 176.094 -0.002 0.000 1.051 264 V CA 1.446 63.744 62.300 -0.003 0.000 1.036 264 V CB -0.430 31.393 31.823 -0.000 0.000 0.654 264 V HN 0.198 nan 8.190 nan 0.000 0.451 265 I N -0.647 119.917 120.570 -0.009 0.000 2.252 265 I HA -0.223 3.933 4.170 -0.023 0.000 0.245 265 I C 2.568 178.627 176.117 -0.097 0.000 1.102 265 I CA 1.461 62.747 61.300 -0.023 0.000 1.385 265 I CB -0.429 37.555 38.000 -0.027 0.000 1.064 265 I HN 0.271 nan 8.210 nan 0.000 0.414 266 K N 1.081 121.435 120.400 -0.077 0.000 2.032 266 K HA -0.208 4.098 4.320 -0.023 0.000 0.209 266 K C 2.111 178.663 176.600 -0.081 0.000 1.048 266 K CA 1.472 57.706 56.287 -0.088 0.000 0.927 266 K CB -0.210 32.258 32.500 -0.054 0.000 0.712 266 K HN 0.321 nan 8.250 nan 0.000 0.441 267 K N 0.474 120.847 120.400 -0.045 0.000 2.063 267 K HA -0.134 4.172 4.320 -0.023 0.000 0.208 267 K C 2.283 178.872 176.600 -0.019 0.000 1.048 267 K CA 1.300 57.572 56.287 -0.025 0.000 0.928 267 K CB -0.202 32.292 32.500 -0.009 0.000 0.713 267 K HN 0.144 nan 8.250 nan 0.000 0.442 268 A N 1.977 124.792 122.820 -0.009 0.000 1.902 268 A HA -0.195 4.111 4.320 -0.023 0.000 0.217 268 A C 2.000 179.574 177.584 -0.016 0.000 1.181 268 A CA 1.533 53.612 52.037 0.071 0.000 0.623 268 A CB -0.293 18.837 19.000 0.217 0.000 0.818 268 A HN 0.194 nan 8.150 nan 0.000 0.443 269 K N -0.364 119.820 120.400 -0.359 0.000 2.002 269 K HA -0.152 4.154 4.320 -0.023 0.000 0.209 269 K C 2.042 178.563 176.600 -0.131 0.000 1.048 269 K CA 1.571 57.504 56.287 -0.589 0.000 0.930 269 K CB -0.229 31.909 32.500 -0.603 0.000 0.714 269 K HN 0.589 nan 8.250 nan 0.000 0.438 270 E N 0.562 120.714 120.200 -0.080 0.000 2.065 270 E HA -0.258 4.078 4.350 -0.023 0.000 0.201 270 E C 2.154 178.775 176.600 0.035 0.000 1.016 270 E CA 1.302 57.696 56.400 -0.010 0.000 0.818 270 E CB -0.023 29.667 29.700 -0.018 0.000 0.749 270 E HN 0.285 nan 8.360 nan 0.000 0.453 271 Q N -0.622 119.204 119.800 0.043 0.000 2.226 271 Q HA -0.076 4.251 4.340 -0.023 0.000 0.204 271 Q C 1.806 177.874 176.000 0.115 0.000 0.975 271 Q CA 1.178 57.021 55.803 0.067 0.000 0.866 271 Q CB -0.019 28.755 28.738 0.060 0.000 0.915 271 Q HN 0.235 nan 8.270 nan 0.000 0.440 272 A N -0.651 122.275 122.820 0.176 0.000 2.275 272 A HA 0.390 4.696 4.320 -0.023 0.000 0.212 272 A C 1.442 179.243 177.584 0.362 0.000 1.201 272 A CA 0.866 53.075 52.037 0.287 0.000 0.843 272 A CB 0.073 19.332 19.000 0.431 0.000 0.873 272 A HN 0.388 nan 8.150 nan 0.000 0.492 273 G N -1.906 107.043 108.800 0.248 0.000 2.157 273 G HA2 -0.237 3.709 3.960 -0.023 0.000 0.248 273 G HA3 -0.237 3.709 3.960 -0.023 0.000 0.248 273 G C -0.080 174.920 174.900 0.168 0.000 0.979 273 G CA 0.148 45.357 45.100 0.181 0.000 0.650 273 G HN 0.278 nan 8.290 nan 0.000 0.529 274 F N 1.325 121.263 119.950 -0.021 0.000 2.375 274 F HA 0.504 5.018 4.527 -0.023 0.000 0.333 274 F C 0.741 176.455 175.800 -0.142 0.000 1.104 274 F CA -1.300 56.653 58.000 -0.079 0.000 1.149 274 F CB 0.991 39.891 39.000 -0.168 0.000 1.190 274 F HN 0.009 nan 8.300 nan 0.000 0.533 275 D N 4.782 125.156 120.400 -0.043 0.000 2.382 275 D HA 0.064 4.690 4.640 -0.023 0.000 0.259 275 D C -1.579 174.677 176.300 -0.073 0.000 1.224 275 D CA -1.785 52.164 54.000 -0.084 0.000 0.894 275 D CB 1.220 41.926 40.800 -0.157 0.000 1.127 275 D HN 0.183 nan 8.370 nan 0.000 0.487 276 P HA -0.037 nan 4.420 nan 0.000 0.229 276 P C 0.296 177.554 177.300 -0.069 0.000 1.160 276 P CA 0.389 63.432 63.100 -0.095 0.000 0.777 276 P CB 0.509 32.163 31.700 -0.077 0.000 0.814 277 N N 0.219 118.888 118.700 -0.052 0.000 2.268 277 N HA 0.160 4.886 4.740 -0.023 0.000 0.204 277 N C 0.776 176.275 175.510 -0.019 0.000 1.124 277 N CA 0.001 53.032 53.050 -0.032 0.000 0.838 277 N CB 0.307 38.778 38.487 -0.028 0.000 0.994 277 N HN 0.388 nan 8.380 nan 0.000 0.489 278 I N -2.673 117.884 120.570 -0.022 0.000 3.108 278 I HA 0.678 4.834 4.170 -0.023 0.000 0.312 278 I C -0.202 175.943 176.117 0.046 0.000 1.095 278 I CA -1.046 60.265 61.300 0.019 0.000 1.000 278 I CB 2.216 40.221 38.000 0.008 0.000 1.229 278 I HN -0.178 nan 8.210 nan 0.000 0.454 279 S N 0.551 116.322 115.700 0.117 0.000 2.667 279 S HA 0.713 5.169 4.470 -0.023 0.000 0.292 279 S C -0.433 174.336 174.600 0.280 0.000 1.126 279 S CA -0.585 57.685 58.200 0.117 0.000 0.881 279 S CB 1.295 64.555 63.200 0.100 0.000 1.132 279 S HN 0.855 nan 8.310 nan 0.000 0.492 280 F N -0.493 119.534 119.950 0.128 0.000 3.067 280 F HA -0.151 4.362 4.527 -0.023 0.000 0.279 280 F C 0.273 176.171 175.800 0.164 0.000 0.945 280 F CA 1.108 59.177 58.000 0.115 0.000 0.948 280 F CB -2.096 36.935 39.000 0.052 0.000 0.898 280 F HN 0.957 nan 8.300 nan 0.000 0.746 281 H N 1.084 120.289 119.070 0.224 0.000 2.489 281 H HA 0.717 5.259 4.556 -0.023 0.000 0.322 281 H C -0.200 175.276 175.328 0.247 0.000 1.091 281 H CA -0.664 55.509 56.048 0.209 0.000 1.291 281 H CB 0.750 30.616 29.762 0.173 0.000 1.436 281 H HN 0.220 nan 8.280 nan 0.000 0.480 282 I N 8.093 128.420 120.570 -0.404 0.000 2.405 282 I HA 0.256 4.413 4.170 -0.023 0.000 0.280 282 I C -2.192 173.666 176.117 -0.431 0.000 1.027 282 I CA -2.161 59.014 61.300 -0.209 0.000 1.161 282 I CB 1.455 39.454 38.000 -0.002 0.000 1.300 282 I HN 0.544 nan 8.210 nan 0.000 0.463 283 P HA -0.012 nan 4.420 nan 0.000 0.266 283 P C 0.545 177.816 177.300 -0.047 0.000 1.193 283 P CA -0.162 62.857 63.100 -0.134 0.000 0.770 283 P CB 0.679 32.343 31.700 -0.059 0.000 0.836 284 Q N 1.974 121.761 119.800 -0.023 0.000 2.061 284 Q HA -0.214 4.112 4.340 -0.023 0.000 0.204 284 Q C 2.026 178.030 176.000 0.007 0.000 0.984 284 Q CA 2.458 58.259 55.803 -0.004 0.000 0.846 284 Q CB -0.846 27.894 28.738 0.003 0.000 0.902 284 Q HN 0.607 nan 8.270 nan 0.000 0.421 285 A N 0.135 122.959 122.820 0.007 0.000 1.902 285 A HA -0.147 4.159 4.320 -0.023 0.000 0.217 285 A C 2.461 180.049 177.584 0.007 0.000 1.181 285 A CA 1.851 53.890 52.037 0.003 0.000 0.623 285 A CB -0.561 18.439 19.000 -0.001 0.000 0.818 285 A HN 0.328 nan 8.150 nan 0.000 0.443 286 S N -0.656 115.069 115.700 0.041 0.000 2.368 286 S HA -0.159 4.297 4.470 -0.023 0.000 0.225 286 S C 2.014 176.715 174.600 0.169 0.000 1.030 286 S CA 1.592 59.847 58.200 0.092 0.000 0.999 286 S CB -0.244 63.086 63.200 0.216 0.000 0.844 286 S HN 0.659 nan 8.310 nan 0.000 0.459 287 K N 0.871 121.345 120.400 0.124 0.000 2.009 287 K HA -0.115 4.191 4.320 -0.023 0.000 0.210 287 K C 1.953 178.592 176.600 0.065 0.000 1.049 287 K CA 1.557 57.904 56.287 0.100 0.000 0.929 287 K CB -0.298 32.223 32.500 0.036 0.000 0.714 287 K HN 0.286 nan 8.250 nan 0.000 0.440 288 I N 0.416 121.001 120.570 0.025 0.000 2.202 288 I HA -0.243 3.913 4.170 -0.023 0.000 0.242 288 I C 2.628 178.735 176.117 -0.017 0.000 1.091 288 I CA 0.924 62.223 61.300 -0.002 0.000 1.368 288 I CB -0.195 37.799 38.000 -0.011 0.000 1.058 288 I HN 0.140 nan 8.210 nan 0.000 0.410 289 R N 1.012 121.486 120.500 -0.042 0.000 2.070 289 R HA -0.159 4.167 4.340 -0.023 0.000 0.233 289 R C 2.061 178.275 176.300 -0.143 0.000 1.137 289 R CA 1.927 57.952 56.100 -0.124 0.000 0.945 289 R CB -0.940 29.249 30.300 -0.186 0.000 0.845 289 R HN 0.167 nan 8.270 nan 0.000 0.430 290 F N 1.548 121.463 119.950 -0.058 0.000 2.171 290 F HA -0.101 4.412 4.527 -0.023 0.000 0.300 290 F C 2.212 177.949 175.800 -0.106 0.000 1.090 290 F CA 1.862 59.822 58.000 -0.066 0.000 1.293 290 F CB -0.552 38.431 39.000 -0.028 0.000 1.013 290 F HN 0.346 nan 8.300 nan 0.000 0.486 291 E N 0.123 120.371 120.200 0.080 0.000 2.347 291 E HA -0.144 4.192 4.350 -0.023 0.000 0.196 291 E C 1.906 178.470 176.600 -0.059 0.000 1.008 291 E CA 1.060 57.444 56.400 -0.027 0.000 0.852 291 E CB -0.567 29.104 29.700 -0.049 0.000 0.783 291 E HN 0.392 nan 8.360 nan 0.000 0.505 292 S N 0.784 116.453 115.700 -0.052 0.000 2.465 292 S HA -0.059 4.397 4.470 -0.023 0.000 0.241 292 S C 2.125 176.671 174.600 -0.090 0.000 1.000 292 S CA 0.677 58.834 58.200 -0.071 0.000 0.964 292 S CB -0.170 62.987 63.200 -0.071 0.000 0.763 292 S HN 0.430 nan 8.310 nan 0.000 0.512 293 A N 1.340 124.103 122.820 -0.094 0.000 2.024 293 A HA 0.060 4.367 4.320 -0.023 0.000 0.220 293 A C 2.303 179.747 177.584 -0.233 0.000 1.164 293 A CA 1.550 53.496 52.037 -0.152 0.000 0.643 293 A CB -0.959 17.952 19.000 -0.149 0.000 0.806 293 A HN 0.484 nan 8.150 nan 0.000 0.451 294 V N -0.149 119.643 119.914 -0.203 0.000 2.244 294 V HA -0.274 3.832 4.120 -0.023 0.000 0.244 294 V C 2.530 178.520 176.094 -0.173 0.000 1.042 294 V CA 2.282 64.453 62.300 -0.214 0.000 1.006 294 V CB -0.752 30.962 31.823 -0.181 0.000 0.641 294 V HN 0.784 nan 8.190 nan 0.000 0.446 295 E N 0.051 120.173 120.200 -0.129 0.000 2.058 295 E HA -0.230 4.106 4.350 -0.023 0.000 0.194 295 E C 2.250 178.787 176.600 -0.105 0.000 0.997 295 E CA 1.587 57.924 56.400 -0.106 0.000 0.801 295 E CB -0.163 29.490 29.700 -0.078 0.000 0.746 295 E HN 0.553 nan 8.360 nan 0.000 0.450 296 L N -0.013 121.151 121.223 -0.097 0.000 2.046 296 L HA -0.119 4.208 4.340 -0.023 0.000 0.208 296 L C 2.631 179.442 176.870 -0.098 0.000 1.077 296 L CA 1.261 56.056 54.840 -0.075 0.000 0.747 296 L CB -0.564 41.467 42.059 -0.046 0.000 0.896 296 L HN 0.308 nan 8.230 nan 0.000 0.432 297 G N -0.733 107.973 108.800 -0.156 0.000 2.421 297 G HA2 -0.278 3.668 3.960 -0.023 0.000 0.217 297 G HA3 -0.278 3.668 3.960 -0.023 0.000 0.217 297 G C 1.174 175.911 174.900 -0.272 0.000 1.143 297 G CA 0.815 45.797 45.100 -0.197 0.000 0.784 297 G HN 0.376 nan 8.290 nan 0.000 0.541 298 D N 0.340 120.604 120.400 -0.226 0.000 2.117 298 D HA -0.061 4.565 4.640 -0.023 0.000 0.197 298 D C 2.434 178.611 176.300 -0.205 0.000 0.987 298 D CA 0.648 54.516 54.000 -0.220 0.000 0.829 298 D CB -0.190 40.512 40.800 -0.164 0.000 0.961 298 D HN 0.305 nan 8.370 nan 0.000 0.460 299 L N 0.128 121.260 121.223 -0.152 0.000 2.109 299 L HA -0.049 4.278 4.340 -0.023 0.000 0.207 299 L C 2.482 179.283 176.870 -0.115 0.000 1.086 299 L CA 0.720 55.495 54.840 -0.108 0.000 0.760 299 L CB -0.326 41.695 42.059 -0.064 0.000 0.910 299 L HN 0.061 nan 8.230 nan 0.000 0.437 300 E N 0.151 120.262 120.200 -0.149 0.000 2.051 300 E HA -0.276 4.060 4.350 -0.023 0.000 0.192 300 E C 1.959 178.345 176.600 -0.357 0.000 0.991 300 E CA 1.254 57.581 56.400 -0.122 0.000 0.799 300 E CB -0.023 29.676 29.700 -0.002 0.000 0.748 300 E HN 0.501 nan 8.360 nan 0.000 0.449 301 E N 0.487 120.222 120.200 -0.775 0.000 2.106 301 E HA -0.136 4.201 4.350 -0.023 0.000 0.192 301 E C 1.992 178.397 176.600 -0.324 0.000 0.984 301 E CA 0.886 56.665 56.400 -1.035 0.000 0.806 301 E CB 0.006 29.003 29.700 -1.173 0.000 0.750 301 E HN 0.162 nan 8.360 nan 0.000 0.458 302 A N 1.964 124.658 122.820 -0.208 0.000 1.883 302 A HA -0.255 4.052 4.320 -0.023 0.000 0.217 302 A C 2.149 179.729 177.584 -0.007 0.000 1.186 302 A CA 1.904 53.892 52.037 -0.081 0.000 0.624 302 A CB -0.615 18.336 19.000 -0.081 0.000 0.822 302 A HN 0.257 nan 8.150 nan 0.000 0.444 303 K N -1.861 118.548 120.400 0.015 0.000 2.103 303 K HA -0.236 4.070 4.320 -0.023 0.000 0.207 303 K C 1.892 178.572 176.600 0.133 0.000 1.048 303 K CA 1.774 58.101 56.287 0.067 0.000 0.930 303 K CB -0.334 32.217 32.500 0.085 0.000 0.716 303 K HN 0.646 nan 8.250 nan 0.000 0.444 304 W N 1.924 123.245 121.300 0.034 0.000 2.381 304 W HA -0.101 4.544 4.660 -0.025 0.000 0.301 304 W C 1.691 178.266 176.519 0.093 0.000 1.205 304 W CA 1.565 58.995 57.345 0.142 0.000 1.285 304 W CB 0.151 29.830 29.460 0.364 0.000 1.133 304 W HN -0.041 nan 8.180 nan 0.000 0.521 305 K N -0.144 120.358 120.400 0.170 0.000 2.147 305 K HA -0.176 4.131 4.320 -0.023 0.000 0.205 305 K C 1.473 177.996 176.600 -0.128 0.000 1.049 305 K CA 1.607 57.885 56.287 -0.016 0.000 0.936 305 K CB -0.361 32.184 32.500 0.077 0.000 0.722 305 K HN 0.087 nan 8.250 nan 0.000 0.446 306 D N 0.932 121.287 120.400 -0.075 0.000 2.117 306 D HA -0.112 4.514 4.640 -0.023 0.000 0.198 306 D C 1.675 177.901 176.300 -0.123 0.000 0.982 306 D CA 1.165 55.118 54.000 -0.079 0.000 0.828 306 D CB 0.038 40.815 40.800 -0.039 0.000 0.967 306 D HN 0.151 nan 8.370 nan 0.000 0.464 307 K N 0.092 120.393 120.400 -0.165 0.000 2.057 307 K HA -0.121 4.185 4.320 -0.023 0.000 0.207 307 K C 2.056 178.479 176.600 -0.295 0.000 1.049 307 K CA 0.428 56.593 56.287 -0.203 0.000 0.931 307 K CB -0.205 32.175 32.500 -0.200 0.000 0.714 307 K HN 0.053 nan 8.250 nan 0.000 0.440 308 L N 1.916 122.844 121.223 -0.492 0.000 2.046 308 L HA -0.194 4.132 4.340 -0.023 0.000 0.208 308 L C 2.233 178.962 176.870 -0.234 0.000 1.077 308 L CA 1.881 56.448 54.840 -0.455 0.000 0.747 308 L CB -0.456 41.210 42.059 -0.655 0.000 0.896 308 L HN 0.098 nan 8.230 nan 0.000 0.432 309 E N 0.088 120.180 120.200 -0.180 0.000 2.160 309 E HA -0.247 4.090 4.350 -0.023 0.000 0.195 309 E C 2.032 178.580 176.600 -0.087 0.000 0.991 309 E CA 1.605 57.941 56.400 -0.106 0.000 0.810 309 E CB -0.153 29.500 29.700 -0.079 0.000 0.742 309 E HN 0.504 nan 8.360 nan 0.000 0.466 310 K N -0.169 120.174 120.400 -0.095 0.000 2.432 310 K HA 0.096 4.402 4.320 -0.023 0.000 0.196 310 K C 0.534 177.095 176.600 -0.065 0.000 1.038 310 K CA 0.208 56.455 56.287 -0.068 0.000 0.986 310 K CB 0.176 32.640 32.500 -0.061 0.000 0.782 310 K HN -0.060 nan 8.250 nan 0.000 0.485 311 S N -0.064 115.586 115.700 -0.085 0.000 2.584 311 S HA 0.295 4.751 4.470 -0.023 0.000 0.273 311 S C 0.823 175.396 174.600 -0.046 0.000 1.311 311 S CA -0.539 57.620 58.200 -0.070 0.000 1.034 311 S CB 1.296 64.437 63.200 -0.098 0.000 0.939 311 S HN 0.297 nan 8.310 nan 0.000 0.513 312 A N 4.054 126.857 122.820 -0.029 0.000 2.235 312 A HA 0.167 4.473 4.320 -0.023 0.000 0.208 312 A C 1.398 178.974 177.584 -0.013 0.000 1.172 312 A CA 0.461 52.487 52.037 -0.019 0.000 0.786 312 A CB -0.137 18.856 19.000 -0.012 0.000 0.804 312 A HN 0.647 nan 8.150 nan 0.000 0.479 313 K N -0.045 120.345 120.400 -0.016 0.000 2.358 313 K HA 0.178 4.484 4.320 -0.023 0.000 0.197 313 K C 1.148 177.747 176.600 -0.002 0.000 1.025 313 K CA 0.115 56.401 56.287 -0.001 0.000 1.104 313 K CB 0.133 32.638 32.500 0.009 0.000 0.855 313 K HN 0.478 nan 8.250 nan 0.000 0.531 314 K N 1.322 121.712 120.400 -0.018 0.000 2.032 314 K HA -0.157 4.150 4.320 -0.023 0.000 0.209 314 K C 1.672 178.274 176.600 0.003 0.000 1.048 314 K CA 1.512 57.791 56.287 -0.015 0.000 0.927 314 K CB 0.115 32.600 32.500 -0.026 0.000 0.712 314 K HN 0.209 nan 8.250 nan 0.000 0.441 315 E N 0.479 120.679 120.200 0.001 0.000 2.110 315 E HA -0.202 4.134 4.350 -0.023 0.000 0.193 315 E C 1.990 178.597 176.600 0.011 0.000 0.988 315 E CA 0.824 57.226 56.400 0.004 0.000 0.804 315 E CB -0.019 29.681 29.700 -0.000 0.000 0.745 315 E HN 0.115 nan 8.360 nan 0.000 0.458 316 L N 0.901 122.134 121.223 0.016 0.000 2.027 316 L HA -0.139 4.188 4.340 -0.023 0.000 0.206 316 L C 2.184 179.072 176.870 0.031 0.000 1.074 316 L CA 1.282 56.136 54.840 0.024 0.000 0.745 316 L CB -0.521 41.556 42.059 0.029 0.000 0.898 316 L HN 0.123 nan 8.230 nan 0.000 0.433 317 L N -0.258 120.989 121.223 0.039 0.000 2.012 317 L HA -0.186 4.140 4.340 -0.023 0.000 0.210 317 L C 2.473 179.371 176.870 0.048 0.000 1.073 317 L CA 1.805 56.680 54.840 0.058 0.000 0.748 317 L CB -0.974 41.138 42.059 0.089 0.000 0.891 317 L HN 0.329 nan 8.230 nan 0.000 0.431 318 E N -0.065 120.157 120.200 0.036 0.000 2.077 318 E HA -0.215 4.121 4.350 -0.023 0.000 0.193 318 E C 2.342 178.951 176.600 0.015 0.000 0.989 318 E CA 1.231 57.648 56.400 0.028 0.000 0.800 318 E CB -0.206 29.506 29.700 0.019 0.000 0.746 318 E HN 0.559 nan 8.360 nan 0.000 0.452 319 R N 0.233 120.739 120.500 0.010 0.000 2.081 319 R HA -0.074 4.253 4.340 -0.023 0.000 0.235 319 R C 2.667 178.971 176.300 0.007 0.000 1.131 319 R CA 0.978 57.079 56.100 0.001 0.000 0.960 319 R CB -0.458 29.844 30.300 0.004 0.000 0.856 319 R HN 0.171 nan 8.270 nan 0.000 0.436 320 L N 0.595 121.831 121.223 0.022 0.000 2.083 320 L HA -0.159 4.167 4.340 -0.023 0.000 0.209 320 L C 2.245 179.132 176.870 0.029 0.000 1.083 320 L CA 1.084 55.940 54.840 0.026 0.000 0.752 320 L CB -0.306 41.753 42.059 -0.001 0.000 0.899 320 L HN 0.186 nan 8.230 nan 0.000 0.433 321 L N -0.805 120.435 121.223 0.028 0.000 2.395 321 L HA -0.027 4.299 4.340 -0.023 0.000 0.218 321 L C 0.431 177.316 176.870 0.025 0.000 1.130 321 L CA 0.576 55.438 54.840 0.038 0.000 0.826 321 L CB -0.106 41.981 42.059 0.047 0.000 0.941 321 L HN 0.324 nan 8.230 nan 0.000 0.451 322 N N 0.095 118.793 118.700 -0.005 0.000 2.703 322 N HA 0.236 4.962 4.740 -0.023 0.000 0.283 322 N C -2.498 172.944 175.510 -0.113 0.000 1.851 322 N CA -0.738 52.287 53.050 -0.042 0.000 0.826 322 N CB 0.905 39.378 38.487 -0.024 0.000 1.239 322 N HN 0.012 nan 8.380 nan 0.000 0.495 323 P HA 0.084 nan 4.420 nan 0.000 0.269 323 P C -0.469 176.502 177.300 -0.549 0.000 1.209 323 P CA 0.140 63.037 63.100 -0.339 0.000 0.776 323 P CB 1.346 32.838 31.700 -0.348 0.000 0.876 324 D N 2.039 122.212 120.400 -0.378 0.000 2.473 324 D HA 0.165 4.791 4.640 -0.023 0.000 0.226 324 D C 0.317 176.516 176.300 -0.169 0.000 1.089 324 D CA -0.528 53.315 54.000 -0.261 0.000 0.883 324 D CB 0.017 40.751 40.800 -0.111 0.000 1.029 324 D HN 0.046 nan 8.370 nan 0.000 0.517 325 F N 1.598 121.579 119.950 0.051 0.000 2.367 325 F HA -0.005 4.504 4.527 -0.029 0.000 0.298 325 F C 2.078 177.910 175.800 0.053 0.000 1.094 325 F CA 0.133 58.165 58.000 0.053 0.000 1.409 325 F CB -0.400 38.663 39.000 0.104 0.000 1.064 325 F HN 0.302 nan 8.300 nan 0.000 0.528 326 N N 0.607 119.422 118.700 0.192 0.000 2.289 326 N HA -0.133 4.594 4.740 -0.023 0.000 0.184 326 N C 1.662 177.221 175.510 0.082 0.000 1.016 326 N CA 0.855 53.984 53.050 0.133 0.000 0.872 326 N CB -0.273 38.267 38.487 0.087 0.000 0.973 326 N HN 0.326 nan 8.380 nan 0.000 0.433 327 K N 0.484 120.909 120.400 0.042 0.000 2.288 327 K HA 0.098 4.404 4.320 -0.023 0.000 0.201 327 K C 0.403 176.986 176.600 -0.028 0.000 1.048 327 K CA 0.139 56.427 56.287 0.002 0.000 0.956 327 K CB 0.149 32.636 32.500 -0.022 0.000 0.746 327 K HN 0.179 nan 8.250 nan 0.000 0.461 328 I N 2.150 122.693 120.570 -0.045 0.000 2.662 328 I HA -0.078 4.078 4.170 -0.023 0.000 0.285 328 I C 0.218 176.215 176.117 -0.200 0.000 1.161 328 I CA -0.259 60.919 61.300 -0.203 0.000 1.415 328 I CB 0.672 38.444 38.000 -0.380 0.000 1.385 328 I HN 0.012 nan 8.210 nan 0.000 0.552 329 A N 7.854 130.549 122.820 -0.208 0.000 2.316 329 A HA 0.446 4.752 4.320 -0.023 0.000 0.311 329 A C -0.622 176.828 177.584 -0.223 0.000 1.339 329 A CA -0.308 51.650 52.037 -0.131 0.000 0.960 329 A CB -0.145 18.797 19.000 -0.098 0.000 1.152 329 A HN 0.587 nan 8.150 nan 0.000 0.547 330 Y N 2.475 122.694 120.300 -0.135 0.000 2.298 330 Y HA 0.381 4.927 4.550 -0.007 0.000 0.329 330 Y C -1.452 174.306 175.900 -0.235 0.000 1.293 330 Y CA -1.571 56.424 58.100 -0.174 0.000 1.388 330 Y CB 0.183 38.561 38.460 -0.136 0.000 1.309 330 Y HN 0.525 nan 8.280 nan 0.000 0.544 331 P HA -0.005 nan 4.420 nan 0.000 0.268 331 P C -1.036 175.897 177.300 -0.612 0.000 1.205 331 P CA -0.188 62.610 63.100 -0.504 0.000 0.771 331 P CB 0.531 31.737 31.700 -0.824 0.000 0.858 332 D N 1.746 121.859 120.400 -0.480 0.000 2.380 332 D HA 0.154 4.780 4.640 -0.023 0.000 0.230 332 D C -0.498 175.613 176.300 -0.316 0.000 1.154 332 D CA -0.350 53.472 54.000 -0.296 0.000 0.859 332 D CB -0.190 40.523 40.800 -0.144 0.000 1.045 332 D HN 0.117 nan 8.370 nan 0.000 0.495 333 F N 2.054 121.998 119.950 -0.010 0.000 2.641 333 F HA 0.202 4.714 4.527 -0.025 0.000 0.302 333 F C 1.397 177.188 175.800 -0.014 0.000 1.098 333 F CA -0.479 57.513 58.000 -0.014 0.000 1.318 333 F CB -0.189 38.803 39.000 -0.015 0.000 1.035 333 F HN 0.180 nan 8.300 nan 0.000 0.551 334 K N 0.646 121.118 120.400 0.120 0.000 2.472 334 K HA 0.224 4.530 4.320 -0.023 0.000 0.280 334 K C 1.370 178.009 176.600 0.065 0.000 1.028 334 K CA 1.091 57.426 56.287 0.079 0.000 1.045 334 K CB 0.041 32.566 32.500 0.042 0.000 0.902 334 K HN 0.475 nan 8.250 nan 0.000 0.478 335 G N 3.356 112.188 108.800 0.054 0.000 2.189 335 G HA2 -0.303 3.643 3.960 -0.023 0.000 0.267 335 G HA3 -0.303 3.643 3.960 -0.023 0.000 0.267 335 G C -0.356 174.553 174.900 0.016 0.000 0.975 335 G CA 0.448 45.566 45.100 0.030 0.000 0.644 335 G HN 0.613 nan 8.290 nan 0.000 0.537 336 K N 1.167 121.591 120.400 0.040 0.000 2.234 336 K HA 0.376 4.682 4.320 -0.023 0.000 0.277 336 K C -1.022 175.560 176.600 -0.030 0.000 1.038 336 K CA -0.780 55.525 56.287 0.030 0.000 0.888 336 K CB 0.982 33.549 32.500 0.112 0.000 1.091 336 K HN 0.055 nan 8.250 nan 0.000 0.467 337 D N 4.054 124.412 120.400 -0.070 0.000 2.339 337 D HA 0.234 4.860 4.640 -0.023 0.000 0.256 337 D C -0.440 175.797 176.300 -0.104 0.000 1.214 337 D CA -0.091 53.835 54.000 -0.123 0.000 0.877 337 D CB 0.455 41.166 40.800 -0.149 0.000 1.111 337 D HN 0.226 nan 8.370 nan 0.000 0.478 338 L N -0.625 120.521 121.223 -0.128 0.000 2.465 338 L HA 0.813 5.140 4.340 -0.023 0.000 0.257 338 L C -0.341 176.452 176.870 -0.129 0.000 0.988 338 L CA -1.614 53.152 54.840 -0.124 0.000 0.827 338 L CB 0.991 42.950 42.059 -0.167 0.000 1.397 338 L HN 0.168 nan 8.230 nan 0.000 0.410 339 A N -0.047 122.711 122.820 -0.103 0.000 2.425 339 A HA 0.493 4.799 4.320 -0.023 0.000 0.249 339 A C 1.164 178.683 177.584 -0.108 0.000 1.084 339 A CA 0.370 52.352 52.037 -0.091 0.000 0.781 339 A CB 0.040 18.999 19.000 -0.069 0.000 1.019 339 A HN 1.074 nan 8.150 nan 0.000 0.490 340 T N -0.441 114.059 114.554 -0.091 0.000 3.118 340 T HA -0.094 4.243 4.350 -0.023 0.000 0.260 340 T C 1.465 176.134 174.700 -0.053 0.000 1.139 340 T CA 0.921 62.964 62.100 -0.095 0.000 1.085 340 T CB -0.332 68.502 68.868 -0.057 0.000 0.934 340 T HN 0.833 nan 8.240 nan 0.000 0.518 341 R N 1.469 121.957 120.500 -0.021 0.000 2.115 341 R HA -0.013 4.313 4.340 -0.023 0.000 0.230 341 R C 1.393 177.694 176.300 0.002 0.000 1.111 341 R CA 1.495 57.611 56.100 0.026 0.000 0.976 341 R CB -0.483 29.866 30.300 0.082 0.000 0.870 341 R HN 0.246 nan 8.270 nan 0.000 0.445 342 D N 1.267 121.647 120.400 -0.033 0.000 2.137 342 D HA -0.095 4.532 4.640 -0.023 0.000 0.202 342 D C 2.218 178.465 176.300 -0.089 0.000 0.970 342 D CA 1.797 55.777 54.000 -0.033 0.000 0.837 342 D CB -0.154 40.626 40.800 -0.033 0.000 0.981 342 D HN 0.370 nan 8.370 nan 0.000 0.475 343 S N 0.984 116.538 115.700 -0.243 0.000 2.374 343 S HA -0.228 4.229 4.470 -0.023 0.000 0.227 343 S C 1.761 176.260 174.600 -0.168 0.000 1.037 343 S CA 1.258 59.163 58.200 -0.490 0.000 1.024 343 S CB -0.597 62.028 63.200 -0.958 0.000 0.861 343 S HN 0.222 nan 8.310 nan 0.000 0.456 344 N N 2.068 120.707 118.700 -0.101 0.000 2.120 344 N HA -0.088 4.638 4.740 -0.023 0.000 0.188 344 N C 1.983 177.445 175.510 -0.081 0.000 1.024 344 N CA 1.398 54.422 53.050 -0.043 0.000 0.852 344 N CB -0.761 37.726 38.487 0.001 0.000 1.003 344 N HN 0.574 nan 8.380 nan 0.000 0.424 345 G N 1.160 109.929 108.800 -0.051 0.000 2.422 345 G HA2 -0.198 3.749 3.960 -0.023 0.000 0.218 345 G HA3 -0.198 3.749 3.960 -0.023 0.000 0.218 345 G C 1.431 176.303 174.900 -0.046 0.000 1.146 345 G CA 0.375 45.440 45.100 -0.058 0.000 0.769 345 G HN 0.379 nan 8.290 nan 0.000 0.547 346 E N 0.273 120.489 120.200 0.028 0.000 2.118 346 E HA -0.099 4.238 4.350 -0.023 0.000 0.195 346 E C 2.542 179.133 176.600 -0.016 0.000 0.992 346 E CA 0.692 57.136 56.400 0.074 0.000 0.804 346 E CB -0.119 29.727 29.700 0.242 0.000 0.741 346 E HN 0.524 nan 8.360 nan 0.000 0.458 347 I N 0.944 121.480 120.570 -0.057 0.000 2.286 347 I HA -0.252 3.904 4.170 -0.023 0.000 0.245 347 I C 2.480 178.287 176.117 -0.516 0.000 1.104 347 I CA 0.694 61.846 61.300 -0.246 0.000 1.397 347 I CB -0.224 37.611 38.000 -0.275 0.000 1.072 347 I HN 0.046 nan 8.210 nan 0.000 0.417 348 L N 0.479 121.401 121.223 -0.502 0.000 2.043 348 L HA -0.273 4.053 4.340 -0.023 0.000 0.212 348 L C 2.350 179.031 176.870 -0.316 0.000 1.075 348 L CA 1.499 56.039 54.840 -0.500 0.000 0.752 348 L CB -0.859 40.940 42.059 -0.434 0.000 0.891 348 L HN 0.388 nan 8.230 nan 0.000 0.432 349 N N -0.226 118.347 118.700 -0.213 0.000 2.084 349 N HA -0.159 4.568 4.740 -0.023 0.000 0.190 349 N C 1.868 177.267 175.510 -0.185 0.000 1.030 349 N CA 1.546 54.521 53.050 -0.125 0.000 0.849 349 N CB -0.148 38.321 38.487 -0.031 0.000 1.012 349 N HN 0.150 nan 8.380 nan 0.000 0.423 350 V N 2.302 122.059 119.914 -0.261 0.000 2.343 350 V HA -0.202 3.904 4.120 -0.023 0.000 0.247 350 V C 2.467 178.294 176.094 -0.445 0.000 1.051 350 V CA 1.300 63.404 62.300 -0.328 0.000 1.036 350 V CB -0.548 31.054 31.823 -0.369 0.000 0.654 350 V HN 0.237 nan 8.190 nan 0.000 0.451 351 L N 0.203 121.032 121.223 -0.657 0.000 2.046 351 L HA -0.157 4.169 4.340 -0.023 0.000 0.208 351 L C 2.710 179.233 176.870 -0.578 0.000 1.077 351 L CA 1.648 55.968 54.840 -0.867 0.000 0.747 351 L CB -0.839 40.195 42.059 -1.709 0.000 0.896 351 L HN 0.355 nan 8.230 nan 0.000 0.432 352 A N -0.227 122.405 122.820 -0.312 0.000 1.969 352 A HA -0.188 4.118 4.320 -0.023 0.000 0.218 352 A C 2.340 179.922 177.584 -0.004 0.000 1.169 352 A CA 1.476 53.549 52.037 0.060 0.000 0.635 352 A CB -0.289 18.818 19.000 0.178 0.000 0.810 352 A HN 0.298 nan 8.150 nan 0.000 0.445 353 K N -0.414 119.933 120.400 -0.088 0.000 2.155 353 K HA -0.011 4.296 4.320 -0.023 0.000 0.203 353 K C 1.413 177.967 176.600 -0.076 0.000 1.052 353 K CA 1.159 57.405 56.287 -0.069 0.000 0.948 353 K CB -0.069 32.378 32.500 -0.089 0.000 0.728 353 K HN 0.472 nan 8.250 nan 0.000 0.448 354 N N -0.024 118.599 118.700 -0.129 0.000 2.405 354 N HA 0.036 4.762 4.740 -0.023 0.000 0.175 354 N C -0.208 175.275 175.510 -0.045 0.000 1.051 354 N CA 0.507 53.492 53.050 -0.109 0.000 0.899 354 N CB 0.601 38.983 38.487 -0.175 0.000 1.000 354 N HN 0.047 nan 8.380 nan 0.000 0.451 355 L N 1.232 122.450 121.223 -0.009 0.000 2.345 355 L HA 0.268 4.594 4.340 -0.023 0.000 0.274 355 L C 0.805 177.774 176.870 0.165 0.000 0.999 355 L CA -0.273 54.624 54.840 0.094 0.000 0.849 355 L CB 2.107 44.262 42.059 0.161 0.000 1.220 355 L HN -0.132 nan 8.230 nan 0.000 0.422 356 E N 2.250 122.530 120.200 0.133 0.000 2.265 356 E HA -0.123 4.213 4.350 -0.023 0.000 0.196 356 E C 1.675 178.409 176.600 0.223 0.000 0.996 356 E CA 1.129 57.616 56.400 0.145 0.000 0.832 356 E CB 0.223 29.981 29.700 0.097 0.000 0.756 356 E HN 0.871 nan 8.360 nan 0.000 0.491 357 G N -0.116 108.846 108.800 0.271 0.000 3.233 357 G HA2 -0.004 3.942 3.960 -0.023 0.000 0.234 357 G HA3 -0.004 3.942 3.960 -0.023 0.000 0.234 357 G C -0.259 174.934 174.900 0.488 0.000 1.137 357 G CA -0.553 44.776 45.100 0.381 0.000 0.763 357 G HN 0.078 nan 8.290 nan 0.000 0.549 358 F N 2.633 122.738 119.950 0.259 0.000 2.421 358 F HA 0.650 5.165 4.527 -0.019 0.000 0.358 358 F C 0.069 175.974 175.800 0.175 0.000 1.115 358 F CA -1.086 57.057 58.000 0.239 0.000 1.160 358 F CB 0.496 39.600 39.000 0.175 0.000 1.123 358 F HN 0.060 nan 8.300 nan 0.000 0.508 359 L N 3.874 124.935 121.223 -0.269 0.000 2.654 359 L HA 1.106 5.432 4.340 -0.023 0.000 0.257 359 L C -0.617 175.752 176.870 -0.835 0.000 1.093 359 L CA -0.653 53.995 54.840 -0.320 0.000 0.903 359 L CB 1.821 43.728 42.059 -0.252 0.000 1.520 359 L HN 0.726 nan 8.230 nan 0.000 0.402 360 G N -1.408 106.785 108.800 -1.013 0.000 2.367 360 G HA2 0.591 4.537 3.960 -0.023 0.000 0.272 360 G HA3 0.591 4.537 3.960 -0.023 0.000 0.272 360 G C -0.760 173.508 174.900 -1.053 0.000 1.271 360 G CA 0.191 44.408 45.100 -1.471 0.000 0.893 360 G HN 1.679 nan 8.290 nan 0.000 0.485 361 G N -1.557 106.743 108.800 -0.833 0.000 2.320 361 G HA2 0.656 4.603 3.960 -0.023 0.000 0.296 361 G HA3 0.656 4.603 3.960 -0.023 0.000 0.296 361 G C -1.154 173.821 174.900 0.125 0.000 1.306 361 G CA 0.937 45.929 45.100 -0.179 0.000 0.836 361 G HN 1.755 nan 8.290 nan 0.000 0.517 362 S N -1.383 114.423 115.700 0.178 0.000 2.568 362 S HA 0.697 5.154 4.470 -0.023 0.000 0.302 362 S C 0.419 175.119 174.600 0.166 0.000 1.082 362 S CA 0.399 58.689 58.200 0.150 0.000 1.009 362 S CB 1.445 64.709 63.200 0.106 0.000 1.069 362 S HN 1.940 nan 8.310 nan 0.000 0.500 363 A N 2.963 125.823 122.820 0.067 0.000 3.037 363 A HA 0.396 4.702 4.320 -0.023 0.000 0.272 363 A C 0.563 178.138 177.584 -0.016 0.000 1.723 363 A CA 0.380 52.440 52.037 0.039 0.000 1.413 363 A CB -1.515 17.467 19.000 -0.029 0.000 1.112 363 A HN 1.133 nan 8.150 nan 0.000 0.606 364 D N -0.508 119.913 120.400 0.035 0.000 3.077 364 D HA -0.179 4.448 4.640 -0.023 0.000 0.217 364 D C 0.120 176.401 176.300 -0.032 0.000 1.162 364 D CA 1.627 55.632 54.000 0.010 0.000 0.943 364 D CB -1.424 39.363 40.800 -0.022 0.000 1.122 364 D HN 0.503 nan 8.370 nan 0.000 0.413 365 L N -1.167 120.022 121.223 -0.056 0.000 3.202 365 L HA 0.441 4.767 4.340 -0.023 0.000 0.278 365 L C 2.277 179.144 176.870 -0.005 0.000 1.268 365 L CA 0.132 54.903 54.840 -0.115 0.000 1.034 365 L CB 0.381 42.219 42.059 -0.369 0.000 1.407 365 L HN 0.176 nan 8.230 nan 0.000 0.581 366 G N 1.680 110.512 108.800 0.054 0.000 2.476 366 G HA2 -0.201 3.745 3.960 -0.023 0.000 0.218 366 G HA3 -0.201 3.745 3.960 -0.023 0.000 0.218 366 G C -0.758 174.199 174.900 0.096 0.000 1.164 366 G CA 0.870 46.021 45.100 0.084 0.000 0.768 366 G HN 0.289 nan 8.290 nan 0.000 0.560 367 P HA -0.021 nan 4.420 nan 0.000 0.218 367 P C 2.046 179.435 177.300 0.149 0.000 1.149 367 P CA 1.678 64.848 63.100 0.117 0.000 0.817 367 P CB 0.083 31.846 31.700 0.105 0.000 0.785 368 S N -1.576 114.223 115.700 0.166 0.000 2.468 368 S HA 0.030 4.486 4.470 -0.023 0.000 0.226 368 S C 1.713 176.518 174.600 0.342 0.000 1.051 368 S CA 0.283 58.652 58.200 0.281 0.000 0.943 368 S CB -0.769 62.625 63.200 0.323 0.000 0.810 368 S HN -0.016 nan 8.310 nan 0.000 0.509 369 N N 1.888 120.725 118.700 0.228 0.000 2.381 369 N HA 0.023 4.749 4.740 -0.023 0.000 0.182 369 N C -0.139 175.476 175.510 0.176 0.000 1.025 369 N CA 0.629 53.819 53.050 0.234 0.000 0.888 369 N CB -0.169 38.419 38.487 0.168 0.000 0.965 369 N HN 0.222 nan 8.380 nan 0.000 0.438 370 K N -0.464 120.022 120.400 0.143 0.000 3.161 370 K HA -0.117 4.190 4.320 -0.023 0.000 0.270 370 K C 0.517 177.143 176.600 0.043 0.000 1.115 370 K CA 0.983 57.329 56.287 0.098 0.000 0.789 370 K CB -2.792 29.765 32.500 0.094 0.000 1.256 370 K HN 0.539 nan 8.250 nan 0.000 0.492 371 T N -3.475 111.111 114.554 0.053 0.000 3.069 371 T HA 0.107 4.443 4.350 -0.023 0.000 0.252 371 T C 0.571 175.285 174.700 0.024 0.000 1.053 371 T CA -0.175 61.952 62.100 0.044 0.000 0.964 371 T CB 0.516 69.503 68.868 0.198 0.000 1.005 371 T HN 0.317 nan 8.240 nan 0.000 0.532 372 E N 1.519 121.674 120.200 -0.075 0.000 2.415 372 E HA 0.211 4.547 4.350 -0.023 0.000 0.263 372 E C -0.733 175.656 176.600 -0.351 0.000 0.995 372 E CA -0.320 55.971 56.400 -0.182 0.000 0.915 372 E CB 0.364 29.921 29.700 -0.238 0.000 0.951 372 E HN 0.461 nan 8.360 nan 0.000 0.449 373 L N 6.148 127.270 121.223 -0.168 0.000 2.270 373 L HA 0.217 4.543 4.340 -0.023 0.000 0.286 373 L C 0.054 176.868 176.870 -0.094 0.000 1.059 373 L CA -0.726 54.049 54.840 -0.109 0.000 0.839 373 L CB 0.343 42.429 42.059 0.045 0.000 1.221 373 L HN 0.485 nan 8.230 nan 0.000 0.431 374 H N 2.744 121.836 119.070 0.037 0.000 2.803 374 H HA 0.272 4.794 4.556 -0.056 0.000 0.330 374 H C 0.567 175.909 175.328 0.024 0.000 1.057 374 H CA -0.003 56.062 56.048 0.030 0.000 1.458 374 H CB 1.271 31.045 29.762 0.020 0.000 1.470 374 H HN 0.767 nan 8.280 nan 0.000 0.560 378 D N -0.111 120.326 120.400 0.063 0.000 2.225 378 D HA 0.425 5.052 4.640 -0.023 0.000 0.249 378 D C 0.122 176.466 176.300 0.072 0.000 1.052 378 D CA -0.171 53.886 54.000 0.096 0.000 0.909 378 D CB 1.559 42.475 40.800 0.193 0.000 1.186 378 D HN 0.251 nan 8.370 nan 0.000 0.431 379 F N 1.530 121.426 119.950 -0.089 0.000 2.629 379 F HA -0.082 4.429 4.527 -0.027 0.000 0.377 379 F C 1.284 177.072 175.800 -0.021 0.000 1.101 379 F CA 0.334 58.265 58.000 -0.116 0.000 1.301 379 F CB 0.748 39.592 39.000 -0.261 0.000 1.062 379 F HN 0.089 nan 8.300 nan 0.000 0.583 380 V N 4.798 124.418 119.914 -0.490 0.000 2.878 380 V HA -0.100 4.006 4.120 -0.023 0.000 0.250 380 V C 1.565 177.366 176.094 -0.488 0.000 1.075 380 V CA 1.662 63.285 62.300 -1.128 0.000 1.096 380 V CB -0.241 31.018 31.823 -0.941 0.000 0.724 380 V HN 0.865 nan 8.190 nan 0.000 0.467 381 E N 0.603 120.664 120.200 -0.232 0.000 2.204 381 E HA 0.063 4.399 4.350 -0.023 0.000 0.195 381 E C 1.145 177.695 176.600 -0.083 0.000 0.990 381 E CA 1.098 57.423 56.400 -0.126 0.000 0.821 381 E CB -0.266 29.394 29.700 -0.067 0.000 0.750 381 E HN 0.691 nan 8.360 nan 0.000 0.477 382 G N -0.630 108.128 108.800 -0.071 0.000 3.107 382 G HA2 0.291 4.237 3.960 -0.023 0.000 0.232 382 G HA3 0.291 4.237 3.960 -0.023 0.000 0.232 382 G C 0.110 174.998 174.900 -0.019 0.000 1.339 382 G CA -0.528 44.558 45.100 -0.024 0.000 1.033 382 G HN -0.090 nan 8.290 nan 0.000 0.567 383 K N -0.384 120.013 120.400 -0.006 0.000 2.367 383 K HA 0.140 4.447 4.320 -0.023 0.000 0.195 383 K C 0.048 176.582 176.600 -0.111 0.000 1.060 383 K CA -0.148 56.123 56.287 -0.026 0.000 1.022 383 K CB 0.290 32.805 32.500 0.025 0.000 0.894 383 K HN 0.230 nan 8.250 nan 0.000 0.540 384 N N 1.950 120.579 118.700 -0.118 0.000 2.430 384 N HA 0.172 4.899 4.740 -0.023 0.000 0.265 384 N C -0.576 174.691 175.510 -0.406 0.000 1.100 384 N CA 0.235 53.132 53.050 -0.256 0.000 0.961 384 N CB 1.131 39.480 38.487 -0.231 0.000 1.075 384 N HN 0.035 nan 8.380 nan 0.000 0.478 385 I N 2.302 122.514 120.570 -0.596 0.000 2.336 385 I HA 0.136 4.292 4.170 -0.023 0.000 0.292 385 I C -0.062 175.542 176.117 -0.856 0.000 0.991 385 I CA -0.647 60.155 61.300 -0.831 0.000 1.227 385 I CB 0.656 37.880 38.000 -1.293 0.000 1.366 385 I HN 0.317 nan 8.210 nan 0.000 0.466 386 H N 6.079 124.890 119.070 -0.431 0.000 2.724 386 H HA 0.234 4.777 4.556 -0.022 0.000 0.278 386 H C 0.110 175.290 175.328 -0.247 0.000 1.159 386 H CA -0.248 55.669 56.048 -0.218 0.000 1.254 386 H CB 0.391 30.098 29.762 -0.091 0.000 1.412 386 H HN 0.514 nan 8.280 nan 0.000 0.488 387 F N 1.543 121.465 119.950 -0.047 0.000 2.502 387 F HA 0.059 4.571 4.527 -0.025 0.000 0.298 387 F C 1.930 177.722 175.800 -0.012 0.000 1.111 387 F CA 0.891 58.856 58.000 -0.058 0.000 1.445 387 F CB -0.137 38.802 39.000 -0.102 0.000 1.081 387 F HN 0.804 nan 8.300 nan 0.000 0.558 388 G N 0.850 109.743 108.800 0.156 0.000 2.645 388 G HA2 -0.297 3.649 3.960 -0.023 0.000 0.239 388 G HA3 -0.297 3.649 3.960 -0.023 0.000 0.239 388 G C -0.449 174.482 174.900 0.052 0.000 1.331 388 G CA -0.455 44.695 45.100 0.083 0.000 0.890 388 G HN 0.056 nan 8.290 nan 0.000 0.572 389 I N 1.697 122.267 120.570 -0.001 0.000 2.204 389 I HA 0.408 4.564 4.170 -0.023 0.000 0.291 389 I C 1.139 177.233 176.117 -0.039 0.000 1.153 389 I CA 0.480 61.743 61.300 -0.062 0.000 1.546 389 I CB 0.082 38.018 38.000 -0.106 0.000 1.490 389 I HN 0.404 nan 8.210 nan 0.000 0.697 390 R N 2.985 123.486 120.500 0.002 0.000 2.627 390 R HA 0.191 4.517 4.340 -0.023 0.000 0.251 390 R C 0.549 176.878 176.300 0.048 0.000 1.524 390 R CA -0.229 55.903 56.100 0.053 0.000 1.606 390 R CB 0.516 30.871 30.300 0.092 0.000 1.396 390 R HN 0.229 nan 8.270 nan 0.000 0.724 391 E N 0.128 120.349 120.200 0.036 0.000 2.058 391 E HA -0.235 4.101 4.350 -0.023 0.000 0.194 391 E C 1.569 178.268 176.600 0.165 0.000 0.997 391 E CA 1.427 57.869 56.400 0.070 0.000 0.801 391 E CB -0.057 29.699 29.700 0.093 0.000 0.746 391 E HN 0.371 nan 8.360 nan 0.000 0.450 392 H N 0.313 119.449 119.070 0.110 0.000 2.326 392 H HA 0.179 4.721 4.556 -0.024 0.000 0.301 392 H C 0.698 176.067 175.328 0.068 0.000 1.081 392 H CA 1.050 57.166 56.048 0.113 0.000 1.334 392 H CB -0.640 29.193 29.762 0.118 0.000 1.385 392 H HN 0.155 nan 8.280 nan 0.000 0.504 396 A N 0.541 123.430 122.820 0.115 0.000 1.968 396 A HA 0.134 4.440 4.320 -0.023 0.000 0.217 396 A C 1.907 179.479 177.584 -0.020 0.000 1.169 396 A CA 1.573 53.644 52.037 0.057 0.000 0.638 396 A CB -0.654 18.341 19.000 -0.009 0.000 0.812 396 A HN 0.566 nan 8.150 nan 0.000 0.446 397 I N -0.033 120.518 120.570 -0.032 0.000 2.179 397 I HA -0.309 3.847 4.170 -0.023 0.000 0.242 397 I C 2.268 178.402 176.117 0.030 0.000 1.088 397 I CA 1.731 63.028 61.300 -0.005 0.000 1.357 397 I CB -0.482 37.576 38.000 0.097 0.000 1.051 397 I HN 0.439 nan 8.210 nan 0.000 0.409 398 N N 0.561 119.189 118.700 -0.120 0.000 2.244 398 N HA -0.159 4.568 4.740 -0.023 0.000 0.183 398 N C 1.554 176.826 175.510 -0.396 0.000 1.016 398 N CA 0.742 53.565 53.050 -0.380 0.000 0.866 398 N CB -0.053 37.961 38.487 -0.790 0.000 0.980 398 N HN 0.307 nan 8.380 nan 0.000 0.430 399 N N 1.243 119.866 118.700 -0.128 0.000 2.104 399 N HA -0.140 4.587 4.740 -0.023 0.000 0.190 399 N C 1.612 177.083 175.510 -0.064 0.000 1.024 399 N CA 1.157 54.233 53.050 0.042 0.000 0.853 399 N CB -0.421 38.153 38.487 0.146 0.000 1.008 399 N HN 0.244 nan 8.380 nan 0.000 0.424 400 A N 0.198 122.877 122.820 -0.235 0.000 1.898 400 A HA -0.033 4.273 4.320 -0.023 0.000 0.216 400 A C 2.043 179.506 177.584 -0.202 0.000 1.181 400 A CA 0.793 52.454 52.037 -0.626 0.000 0.620 400 A CB -0.912 17.422 19.000 -1.110 0.000 0.819 400 A HN 0.171 nan 8.150 nan 0.000 0.442 401 F N 0.455 120.293 119.950 -0.186 0.000 2.120 401 F HA -0.228 4.287 4.527 -0.020 0.000 0.300 401 F C 2.768 178.670 175.800 0.170 0.000 1.095 401 F CA 1.353 59.343 58.000 -0.017 0.000 1.249 401 F CB -0.413 38.447 39.000 -0.233 0.000 0.995 401 F HN 0.267 nan 8.300 nan 0.000 0.480 402 A N -0.567 122.385 122.820 0.220 0.000 1.969 402 A HA -0.132 4.174 4.320 -0.023 0.000 0.218 402 A C 2.223 179.956 177.584 0.250 0.000 1.169 402 A CA 1.167 53.324 52.037 0.201 0.000 0.635 402 A CB -0.339 18.712 19.000 0.086 0.000 0.810 402 A HN 0.152 nan 8.150 nan 0.000 0.445 403 R N -2.199 118.462 120.500 0.268 0.000 2.246 403 R HA 0.041 4.367 4.340 -0.023 0.000 0.199 403 R C 1.682 178.216 176.300 0.390 0.000 0.984 403 R CA 0.646 56.942 56.100 0.326 0.000 1.015 403 R CB -0.748 29.799 30.300 0.412 0.000 0.930 403 R HN 0.740 nan 8.270 nan 0.000 0.475 404 Y N 0.373 120.883 120.300 0.350 0.000 2.145 404 Y HA -0.193 4.344 4.550 -0.022 0.000 0.286 404 Y C 1.641 177.619 175.900 0.129 0.000 1.145 404 Y CA 2.305 60.590 58.100 0.307 0.000 1.148 404 Y CB 0.133 38.809 38.460 0.360 0.000 0.981 404 Y HN 0.242 nan 8.280 nan 0.000 0.507 405 G N -0.901 108.027 108.800 0.213 0.000 3.246 405 G HA2 -0.145 3.802 3.960 -0.023 0.000 0.218 405 G HA3 -0.145 3.802 3.960 -0.023 0.000 0.218 405 G C 0.566 175.497 174.900 0.053 0.000 0.978 405 G CA 0.127 45.258 45.100 0.052 0.000 0.825 405 G HN 0.608 nan 8.290 nan 0.000 0.546 406 I N -2.876 117.692 120.570 -0.003 0.000 4.026 406 I HA 0.656 4.812 4.170 -0.023 0.000 0.324 406 I C -0.725 175.209 176.117 -0.306 0.000 1.474 406 I CA -0.648 60.527 61.300 -0.209 0.000 1.107 406 I CB 0.217 37.990 38.000 -0.378 0.000 1.345 406 I HN -0.120 nan 8.210 nan 0.000 0.531 407 F N 1.571 121.684 119.950 0.273 0.000 2.577 407 F HA 0.685 5.195 4.527 -0.027 0.000 0.318 407 F C -0.437 175.513 175.800 0.250 0.000 1.065 407 F CA -1.085 57.072 58.000 0.262 0.000 0.929 407 F CB 2.229 41.420 39.000 0.319 0.000 1.237 407 F HN -0.165 nan 8.300 nan 0.000 0.468 408 L N 4.679 126.181 121.223 0.466 0.000 2.433 408 L HA 0.389 4.715 4.340 -0.023 0.000 0.256 408 L C -2.630 174.333 176.870 0.156 0.000 1.063 408 L CA -1.617 53.477 54.840 0.424 0.000 0.922 408 L CB 1.372 43.847 42.059 0.693 0.000 1.238 408 L HN 0.265 nan 8.230 nan 0.000 0.466 409 P HA 0.360 nan 4.420 nan 0.000 0.284 409 P C -1.147 176.076 177.300 -0.128 0.000 1.258 409 P CA -0.431 62.483 63.100 -0.310 0.000 0.824 409 P CB 1.435 32.846 31.700 -0.481 0.000 1.038 410 F N -0.998 118.783 119.950 -0.283 0.000 2.532 410 F HA 0.744 5.255 4.527 -0.027 0.000 0.321 410 F C -0.747 174.951 175.800 -0.169 0.000 1.089 410 F CA -1.005 56.941 58.000 -0.090 0.000 0.926 410 F CB 1.388 40.420 39.000 0.053 0.000 1.168 410 F HN 0.077 nan 8.300 nan 0.000 0.459 411 S N 1.900 117.591 115.700 -0.015 0.000 2.472 411 S HA 0.897 5.353 4.470 -0.023 0.000 0.303 411 S C -0.747 173.915 174.600 0.104 0.000 1.099 411 S CA -0.604 57.532 58.200 -0.106 0.000 1.077 411 S CB 1.524 64.618 63.200 -0.176 0.000 1.031 411 S HN 1.059 nan 8.310 nan 0.000 0.487 412 A N 1.924 124.828 122.820 0.140 0.000 2.422 412 A HA 0.896 5.202 4.320 -0.023 0.000 0.302 412 A C -0.286 177.415 177.584 0.195 0.000 1.041 412 A CA -0.645 51.521 52.037 0.215 0.000 0.708 412 A CB 1.979 21.143 19.000 0.273 0.000 1.257 412 A HN 0.679 nan 8.150 nan 0.000 0.414 413 T N 0.365 115.102 114.554 0.305 0.000 2.665 413 T HA 0.617 4.954 4.350 -0.023 0.000 0.303 413 T C -1.342 173.570 174.700 0.354 0.000 1.334 413 T CA -0.415 61.813 62.100 0.215 0.000 1.011 413 T CB 0.243 69.237 68.868 0.210 0.000 1.573 413 T HN 0.427 nan 8.240 nan 0.000 0.492 414 F N 2.256 122.329 119.950 0.205 0.000 2.506 414 F HA 0.345 4.858 4.527 -0.024 0.000 0.351 414 F C 1.335 177.189 175.800 0.091 0.000 1.136 414 F CA -1.147 56.905 58.000 0.087 0.000 1.298 414 F CB -0.064 38.857 39.000 -0.133 0.000 1.145 414 F HN 0.573 nan 8.300 nan 0.000 0.593 415 F N 2.246 122.252 119.950 0.093 0.000 2.161 415 F HA -0.213 4.301 4.527 -0.021 0.000 0.300 415 F C 2.070 177.669 175.800 -0.336 0.000 1.089 415 F CA 1.169 59.037 58.000 -0.220 0.000 1.282 415 F CB -0.636 38.293 39.000 -0.118 0.000 1.010 415 F HN 0.364 nan 8.300 nan 0.000 0.485 416 I N -0.345 120.024 120.570 -0.334 0.000 2.264 416 I HA -0.270 3.886 4.170 -0.023 0.000 0.248 416 I C 1.543 177.406 176.117 -0.424 0.000 1.111 416 I CA 1.623 62.593 61.300 -0.551 0.000 1.382 416 I CB -0.847 36.711 38.000 -0.738 0.000 1.060 416 I HN -0.019 nan 8.210 nan 0.000 0.418 417 F N 0.428 120.349 119.950 -0.049 0.000 2.773 417 F HA 0.147 4.660 4.527 -0.024 0.000 0.304 417 F C 2.570 178.375 175.800 0.009 0.000 1.129 417 F CA 0.461 58.448 58.000 -0.021 0.000 1.378 417 F CB -1.695 37.211 39.000 -0.157 0.000 1.095 417 F HN 0.162 nan 8.300 nan 0.000 0.565 418 S N -0.050 115.618 115.700 -0.054 0.000 2.400 418 S HA -0.249 4.207 4.470 -0.023 0.000 0.232 418 S C 1.706 176.337 174.600 0.051 0.000 1.025 418 S CA 1.449 59.562 58.200 -0.144 0.000 0.993 418 S CB -0.538 62.203 63.200 -0.765 0.000 0.808 418 S HN 0.540 nan 8.310 nan 0.000 0.478 419 E N 0.077 120.297 120.200 0.032 0.000 2.160 419 E HA -0.146 4.190 4.350 -0.023 0.000 0.195 419 E C 1.567 178.180 176.600 0.021 0.000 0.991 419 E CA 1.330 57.731 56.400 0.002 0.000 0.810 419 E CB -0.346 29.338 29.700 -0.027 0.000 0.742 419 E HN 0.713 nan 8.360 nan 0.000 0.466 420 Y N 0.189 120.470 120.300 -0.030 0.000 2.509 420 Y HA -0.090 4.447 4.550 -0.022 0.000 0.293 420 Y C 1.867 177.654 175.900 -0.188 0.000 1.133 420 Y CA 0.737 58.790 58.100 -0.078 0.000 1.283 420 Y CB 0.125 38.579 38.460 -0.010 0.000 1.001 420 Y HN 0.106 nan 8.280 nan 0.000 0.555 421 L N -3.129 118.133 121.223 0.066 0.000 2.858 421 L HA 0.421 4.747 4.340 -0.023 0.000 0.251 421 L C 1.473 178.371 176.870 0.046 0.000 1.149 421 L CA 0.081 54.963 54.840 0.071 0.000 0.955 421 L CB -0.435 41.808 42.059 0.306 0.000 1.289 421 L HN -0.292 nan 8.230 nan 0.000 0.542 422 K N 1.789 122.160 120.400 -0.047 0.000 2.113 422 K HA -0.045 4.261 4.320 -0.023 0.000 0.208 422 K C -0.671 175.862 176.600 -0.112 0.000 1.047 422 K CA 1.996 58.213 56.287 -0.117 0.000 0.928 422 K CB -1.411 30.958 32.500 -0.218 0.000 0.716 422 K HN 0.302 nan 8.250 nan 0.000 0.446 423 P HA -0.061 nan 4.420 nan 0.000 0.218 423 P C 0.764 178.153 177.300 0.147 0.000 1.149 423 P CA 1.735 64.855 63.100 0.033 0.000 0.817 423 P CB -0.075 31.688 31.700 0.105 0.000 0.785 424 A N -0.007 122.974 122.820 0.268 0.000 1.970 424 A HA 0.062 4.369 4.320 -0.023 0.000 0.216 424 A C 2.292 180.030 177.584 0.258 0.000 1.170 424 A CA 1.512 53.717 52.037 0.280 0.000 0.645 424 A CB -1.469 17.749 19.000 0.364 0.000 0.816 424 A HN 0.163 nan 8.150 nan 0.000 0.447 425 A N -0.076 122.852 122.820 0.181 0.000 1.940 425 A HA -0.203 4.103 4.320 -0.023 0.000 0.219 425 A C 2.232 179.864 177.584 0.081 0.000 1.176 425 A CA 1.740 53.795 52.037 0.029 0.000 0.631 425 A CB -0.502 18.329 19.000 -0.281 0.000 0.814 425 A HN 0.529 nan 8.150 nan 0.000 0.446 426 R N -0.534 119.968 120.500 0.003 0.000 2.081 426 R HA -0.087 4.239 4.340 -0.023 0.000 0.235 426 R C 1.869 178.225 176.300 0.093 0.000 1.131 426 R CA 1.475 57.581 56.100 0.008 0.000 0.960 426 R CB -0.249 30.023 30.300 -0.048 0.000 0.856 426 R HN 0.484 nan 8.270 nan 0.000 0.436 427 I N 0.701 121.344 120.570 0.122 0.000 2.252 427 I HA -0.199 3.957 4.170 -0.023 0.000 0.245 427 I C 2.485 178.705 176.117 0.171 0.000 1.102 427 I CA 1.288 62.670 61.300 0.137 0.000 1.385 427 I CB -1.287 36.797 38.000 0.140 0.000 1.064 427 I HN 0.237 nan 8.210 nan 0.000 0.414 428 A N 1.159 124.116 122.820 0.230 0.000 1.892 428 A HA -0.219 4.088 4.320 -0.023 0.000 0.218 428 A C 2.604 180.289 177.584 0.168 0.000 1.188 428 A CA 2.332 54.513 52.037 0.240 0.000 0.631 428 A CB -0.833 18.373 19.000 0.344 0.000 0.822 428 A HN 0.431 nan 8.150 nan 0.000 0.447 429 A N -0.407 122.534 122.820 0.202 0.000 1.877 429 A HA 0.116 4.422 4.320 -0.023 0.000 0.216 429 A C 1.423 179.078 177.584 0.118 0.000 1.186 429 A CA 0.987 53.129 52.037 0.175 0.000 0.620 429 A CB -0.686 18.495 19.000 0.302 0.000 0.822 429 A HN 0.482 nan 8.150 nan 0.000 0.443 433 I N -1.799 118.819 120.570 0.079 0.000 2.764 433 I HA 0.358 4.515 4.170 -0.023 0.000 0.294 433 I C 0.032 176.167 176.117 0.030 0.000 1.045 433 I CA -0.685 60.668 61.300 0.089 0.000 1.340 433 I CB 0.620 38.699 38.000 0.132 0.000 1.436 433 I HN -0.222 nan 8.210 nan 0.000 0.567 434 K N 4.320 124.734 120.400 0.023 0.000 2.183 434 K HA 0.267 4.573 4.320 -0.023 0.000 0.272 434 K C -1.007 175.397 176.600 -0.327 0.000 1.113 434 K CA 0.239 56.447 56.287 -0.131 0.000 0.949 434 K CB -0.506 32.029 32.500 0.059 0.000 1.365 434 K HN 0.782 nan 8.250 nan 0.000 0.420 435 H N 2.077 120.781 119.070 -0.610 0.000 2.782 435 H HA 0.364 4.906 4.556 -0.024 0.000 0.347 435 H C -1.228 173.701 175.328 -0.665 0.000 1.038 435 H CA -0.864 54.837 56.048 -0.577 0.000 1.255 435 H CB 0.773 30.403 29.762 -0.220 0.000 1.623 435 H HN 0.170 nan 8.280 nan 0.000 0.525 436 F N 4.994 125.098 119.950 0.256 0.000 2.427 436 F HA 0.337 4.854 4.527 -0.017 0.000 0.346 436 F C -0.782 175.018 175.800 0.000 0.000 1.120 436 F CA -0.709 57.425 58.000 0.224 0.000 1.033 436 F CB 0.732 39.995 39.000 0.439 0.000 1.126 436 F HN 0.360 nan 8.300 nan 0.000 0.462 437 F N 4.251 124.302 119.950 0.168 0.000 2.411 437 F HA 0.506 5.021 4.527 -0.020 0.000 0.352 437 F C -0.252 175.307 175.800 -0.403 0.000 1.123 437 F CA -0.830 57.037 58.000 -0.221 0.000 1.044 437 F CB 1.104 39.813 39.000 -0.485 0.000 1.135 437 F HN 0.130 nan 8.300 nan 0.000 0.461 438 I N 4.979 125.436 120.570 -0.189 0.000 2.355 438 I HA 0.287 4.444 4.170 -0.023 0.000 0.288 438 I C -1.010 175.099 176.117 -0.013 0.000 0.999 438 I CA -0.939 60.340 61.300 -0.034 0.000 1.163 438 I CB 0.677 38.747 38.000 0.117 0.000 1.316 438 I HN 0.327 nan 8.210 nan 0.000 0.454 439 F N 4.244 124.287 119.950 0.154 0.000 2.500 439 F HA 0.372 4.887 4.527 -0.020 0.000 0.349 439 F C 0.937 176.797 175.800 0.101 0.000 1.127 439 F CA -1.004 57.067 58.000 0.118 0.000 0.998 439 F CB 1.547 40.516 39.000 -0.051 0.000 1.237 439 F HN 0.421 nan 8.300 nan 0.000 0.439 440 T N -1.540 113.274 114.554 0.432 0.000 2.849 440 T HA 0.420 4.757 4.350 -0.023 0.000 0.276 440 T C -0.295 174.690 174.700 0.475 0.000 0.971 440 T CA -0.330 62.022 62.100 0.420 0.000 0.949 440 T CB 0.490 69.678 68.868 0.533 0.000 1.093 440 T HN 0.644 nan 8.240 nan 0.000 0.545 441 H N 0.217 119.341 119.070 0.090 0.000 2.750 441 H HA -0.083 4.458 4.556 -0.025 0.000 0.327 441 H C 0.539 175.870 175.328 0.004 0.000 1.199 441 H CA 0.867 56.886 56.048 -0.048 0.000 1.149 441 H CB -1.742 27.821 29.762 -0.332 0.000 1.543 441 H HN 0.815 nan 8.280 nan 0.000 0.427 442 D N -0.973 119.497 120.400 0.117 0.000 2.363 442 D HA 0.013 4.639 4.640 -0.023 0.000 0.226 442 D C 0.875 177.261 176.300 0.143 0.000 1.020 442 D CA 0.903 55.007 54.000 0.173 0.000 0.892 442 D CB 0.337 41.157 40.800 0.033 0.000 0.900 442 D HN 0.502 nan 8.370 nan 0.000 0.531 443 S N -0.851 114.863 115.700 0.023 0.000 2.672 443 S HA 0.295 4.751 4.470 -0.023 0.000 0.271 443 S C 1.178 175.671 174.600 -0.179 0.000 1.171 443 S CA -0.446 57.716 58.200 -0.064 0.000 0.817 443 S CB 0.122 63.299 63.200 -0.038 0.000 1.150 443 S HN 0.043 nan 8.310 nan 0.000 0.478 444 I N -0.608 119.775 120.570 -0.311 0.000 2.576 444 I HA 0.043 4.199 4.170 -0.023 0.000 0.263 444 I C 1.969 177.740 176.117 -0.577 0.000 1.183 444 I CA 1.801 62.835 61.300 -0.444 0.000 1.432 444 I CB -1.210 36.450 38.000 -0.565 0.000 1.100 444 I HN 0.749 nan 8.210 nan 0.000 0.452 445 G N 1.276 109.717 108.800 -0.598 0.000 2.479 445 G HA2 -0.161 3.785 3.960 -0.023 0.000 0.220 445 G HA3 -0.161 3.785 3.960 -0.023 0.000 0.220 445 G C 1.580 176.390 174.900 -0.150 0.000 1.115 445 G CA 0.930 45.844 45.100 -0.310 0.000 0.757 445 G HN 0.390 nan 8.290 nan 0.000 0.560 446 V N 0.896 120.715 119.914 -0.159 0.000 2.370 446 V HA 0.005 4.111 4.120 -0.023 0.000 0.252 446 V C 2.466 178.504 176.094 -0.092 0.000 1.068 446 V CA 2.138 64.370 62.300 -0.113 0.000 1.061 446 V CB -1.160 30.609 31.823 -0.089 0.000 0.656 446 V HN 0.964 nan 8.190 nan 0.000 0.455 447 G N -0.555 108.174 108.800 -0.120 0.000 2.588 447 G HA2 -0.373 3.574 3.960 -0.023 0.000 0.273 447 G HA3 -0.373 3.574 3.960 -0.023 0.000 0.273 447 G C 0.574 175.439 174.900 -0.058 0.000 1.211 447 G CA 0.444 45.496 45.100 -0.081 0.000 0.958 447 G HN 0.358 nan 8.290 nan 0.000 0.543 448 E N 1.078 121.252 120.200 -0.043 0.000 2.204 448 E HA 0.053 4.389 4.350 -0.023 0.000 0.195 448 E C 1.963 178.522 176.600 -0.068 0.000 0.990 448 E CA 1.291 57.667 56.400 -0.041 0.000 0.821 448 E CB -0.156 29.528 29.700 -0.027 0.000 0.750 448 E HN 0.470 nan 8.360 nan 0.000 0.477 449 D N -0.127 120.214 120.400 -0.099 0.000 2.263 449 D HA -0.018 4.608 4.640 -0.023 0.000 0.208 449 D C 1.109 177.312 176.300 -0.162 0.000 0.971 449 D CA 1.289 55.169 54.000 -0.200 0.000 0.867 449 D CB -0.217 40.388 40.800 -0.325 0.000 0.929 449 D HN 0.239 nan 8.370 nan 0.000 0.492 450 G N 0.275 109.030 108.800 -0.074 0.000 2.681 450 G HA2 -0.213 3.733 3.960 -0.023 0.000 0.220 450 G HA3 -0.213 3.733 3.960 -0.023 0.000 0.220 450 G C -1.957 172.943 174.900 -0.000 0.000 1.353 450 G CA -0.069 45.012 45.100 -0.033 0.000 0.872 450 G HN 0.001 nan 8.290 nan 0.000 0.557 451 P HA -0.040 nan 4.420 nan 0.000 0.222 451 P C 2.021 179.307 177.300 -0.023 0.000 1.153 451 P CA 2.754 65.855 63.100 0.000 0.000 0.798 451 P CB -0.398 31.302 31.700 0.000 0.000 0.796 452 T N -4.087 110.479 114.554 0.019 0.000 2.977 452 T HA -0.162 4.174 4.350 -0.023 0.000 0.271 452 T C 1.457 176.218 174.700 0.101 0.000 1.105 452 T CA 1.190 63.335 62.100 0.075 0.000 1.116 452 T CB -1.234 67.754 68.868 0.201 0.000 0.878 452 T HN 0.335 nan 8.240 nan 0.000 0.509 453 H N 0.338 119.347 119.070 -0.100 0.000 2.672 453 H HA 0.307 4.849 4.556 -0.023 0.000 0.277 453 H C 0.025 175.223 175.328 -0.216 0.000 1.074 453 H CA -0.364 55.568 56.048 -0.192 0.000 1.173 453 H CB 0.562 30.247 29.762 -0.129 0.000 1.558 453 H HN 0.492 nan 8.280 nan 0.000 0.539 454 Q N 1.931 121.689 119.800 -0.070 0.000 2.368 454 Q HA 0.268 4.594 4.340 -0.023 0.000 0.263 454 Q C -2.652 173.279 176.000 -0.115 0.000 1.009 454 Q CA -2.126 53.616 55.803 -0.101 0.000 0.818 454 Q CB 2.139 30.814 28.738 -0.106 0.000 1.239 454 Q HN 0.117 nan 8.270 nan 0.000 0.464 455 P HA 0.007 nan 4.420 nan 0.000 0.269 455 P C -0.216 177.008 177.300 -0.126 0.000 1.209 455 P CA 0.216 63.208 63.100 -0.179 0.000 0.776 455 P CB 0.875 32.477 31.700 -0.164 0.000 0.876 456 I N 1.613 122.107 120.570 -0.127 0.000 3.859 456 I HA 0.014 4.170 4.170 -0.023 0.000 0.266 456 I C 1.724 177.792 176.117 -0.081 0.000 1.132 456 I CA 0.674 61.911 61.300 -0.106 0.000 1.361 456 I CB -0.898 37.018 38.000 -0.140 0.000 1.690 456 I HN 0.360 nan 8.210 nan 0.000 0.424 457 E N 1.339 121.478 120.200 -0.101 0.000 2.474 457 E HA -0.049 4.288 4.350 -0.023 0.000 0.195 457 E C 1.349 177.862 176.600 -0.146 0.000 1.039 457 E CA 0.431 56.774 56.400 -0.096 0.000 0.881 457 E CB 0.176 29.832 29.700 -0.073 0.000 0.970 457 E HN 0.348 nan 8.360 nan 0.000 0.486 458 Q N 0.658 120.297 119.800 -0.269 0.000 2.119 458 Q HA -0.023 4.303 4.340 -0.023 0.000 0.201 458 Q C 1.980 177.966 176.000 -0.024 0.000 0.972 458 Q CA 0.819 56.393 55.803 -0.382 0.000 0.847 458 Q CB -0.317 27.720 28.738 -1.168 0.000 0.903 458 Q HN 0.209 nan 8.270 nan 0.000 0.433 459 L N -0.024 121.269 121.223 0.116 0.000 2.046 459 L HA -0.168 4.159 4.340 -0.023 0.000 0.208 459 L C 1.923 178.838 176.870 0.076 0.000 1.077 459 L CA 1.773 56.768 54.840 0.257 0.000 0.747 459 L CB -0.867 41.304 42.059 0.185 0.000 0.896 459 L HN 0.110 nan 8.230 nan 0.000 0.432 460 S N -1.332 114.344 115.700 -0.040 0.000 2.370 460 S HA -0.207 4.249 4.470 -0.023 0.000 0.226 460 S C 1.823 176.349 174.600 -0.123 0.000 1.033 460 S CA 1.771 59.898 58.200 -0.123 0.000 1.011 460 S CB -0.613 62.491 63.200 -0.160 0.000 0.852 460 S HN 0.563 nan 8.310 nan 0.000 0.457 461 T N 1.745 116.229 114.554 -0.117 0.000 2.684 461 T HA -0.048 4.288 4.350 -0.023 0.000 0.267 461 T C 1.424 175.937 174.700 -0.312 0.000 1.036 461 T CA 1.350 63.316 62.100 -0.224 0.000 1.148 461 T CB -0.494 68.201 68.868 -0.288 0.000 0.863 461 T HN 0.337 nan 8.240 nan 0.000 0.436 462 F N 1.263 121.114 119.950 -0.164 0.000 2.234 462 F HA 0.071 4.585 4.527 -0.021 0.000 0.299 462 F C 2.560 178.279 175.800 -0.137 0.000 1.087 462 F CA 0.766 58.647 58.000 -0.197 0.000 1.340 462 F CB -0.275 38.653 39.000 -0.121 0.000 1.031 462 F HN -0.023 nan 8.300 nan 0.000 0.500 463 R N 0.211 120.725 120.500 0.023 0.000 2.075 463 R HA 0.034 4.360 4.340 -0.023 0.000 0.232 463 R C 1.394 177.661 176.300 -0.055 0.000 1.126 463 R CA 0.689 56.763 56.100 -0.043 0.000 0.963 463 R CB -0.595 29.563 30.300 -0.236 0.000 0.858 463 R HN 0.199 nan 8.270 nan 0.000 0.435 467 N N -0.319 118.451 118.700 0.117 0.000 2.780 467 N HA -0.182 4.545 4.740 -0.023 0.000 0.248 467 N C -1.082 174.504 175.510 0.125 0.000 1.102 467 N CA 0.961 54.071 53.050 0.101 0.000 0.697 467 N CB -1.555 36.983 38.487 0.085 0.000 1.028 467 N HN 0.432 nan 8.380 nan 0.000 0.554 468 F N 0.082 120.044 119.950 0.021 0.000 2.574 468 F HA 0.493 5.006 4.527 -0.023 0.000 0.313 468 F C -0.378 175.412 175.800 -0.015 0.000 1.130 468 F CA -0.802 57.212 58.000 0.024 0.000 0.936 468 F CB 1.277 40.304 39.000 0.045 0.000 1.219 468 F HN -0.146 nan 8.300 nan 0.000 0.445 469 L N 4.105 125.350 121.223 0.037 0.000 2.289 469 L HA 0.530 4.856 4.340 -0.023 0.000 0.285 469 L C -0.352 176.400 176.870 -0.197 0.000 1.049 469 L CA -0.454 54.281 54.840 -0.175 0.000 0.804 469 L CB 1.601 43.422 42.059 -0.396 0.000 1.195 469 L HN 0.541 nan 8.230 nan 0.000 0.428 470 T N 2.967 117.349 114.554 -0.287 0.000 2.893 470 T HA 0.468 4.804 4.350 -0.023 0.000 0.324 470 T C -0.509 173.962 174.700 -0.382 0.000 1.082 470 T CA -0.303 61.684 62.100 -0.188 0.000 0.983 470 T CB 0.035 68.911 68.868 0.015 0.000 1.005 470 T HN 0.079 nan 8.240 nan 0.000 0.475 471 F N 2.210 122.016 119.950 -0.241 0.000 2.408 471 F HA 0.534 5.050 4.527 -0.018 0.000 0.344 471 F C 1.027 176.739 175.800 -0.147 0.000 1.112 471 F CA -1.140 56.734 58.000 -0.210 0.000 1.096 471 F CB 1.222 39.991 39.000 -0.386 0.000 1.129 471 F HN 0.278 nan 8.300 nan 0.000 0.486 472 R N 5.076 125.642 120.500 0.110 0.000 2.564 472 R HA 0.333 4.659 4.340 -0.023 0.000 0.282 472 R C -2.886 173.464 176.300 0.083 0.000 1.573 472 R CA -1.834 54.298 56.100 0.052 0.000 1.588 472 R CB 0.616 30.925 30.300 0.015 0.000 1.154 472 R HN 0.266 nan 8.270 nan 0.000 0.606 473 P HA 0.087 nan 4.420 nan 0.000 0.275 473 P C -0.123 177.206 177.300 0.048 0.000 1.228 473 P CA 0.044 63.196 63.100 0.086 0.000 0.786 473 P CB 1.803 33.549 31.700 0.077 0.000 0.927 474 A N 2.000 124.853 122.820 0.055 0.000 2.178 474 A HA 0.118 4.424 4.320 -0.023 0.000 0.211 474 A C 0.605 178.195 177.584 0.010 0.000 1.157 474 A CA 0.920 52.980 52.037 0.038 0.000 0.780 474 A CB -0.437 18.600 19.000 0.063 0.000 0.828 474 A HN 0.711 nan 8.150 nan 0.000 0.476 475 D N -4.769 115.634 120.400 0.003 0.000 2.713 475 D HA 0.309 4.935 4.640 -0.023 0.000 0.306 475 D C 0.917 177.171 176.300 -0.077 0.000 1.299 475 D CA 0.189 54.164 54.000 -0.042 0.000 0.823 475 D CB 0.353 41.148 40.800 -0.009 0.000 1.353 475 D HN -0.070 nan 8.370 nan 0.000 0.447 476 G N -0.433 108.270 108.800 -0.161 0.000 2.422 476 G HA2 -0.077 3.869 3.960 -0.023 0.000 0.218 476 G HA3 -0.077 3.869 3.960 -0.023 0.000 0.218 476 G C 1.413 176.352 174.900 0.064 0.000 1.140 476 G CA 1.135 46.041 45.100 -0.324 0.000 0.775 476 G HN 0.287 nan 8.290 nan 0.000 0.545 477 V N 0.743 120.733 119.914 0.126 0.000 2.295 477 V HA -0.174 3.932 4.120 -0.023 0.000 0.246 477 V C 2.683 178.806 176.094 0.049 0.000 1.049 477 V CA 2.124 64.496 62.300 0.120 0.000 1.024 477 V CB -0.488 31.385 31.823 0.082 0.000 0.648 477 V HN 0.450 nan 8.190 nan 0.000 0.447 478 E N 0.149 120.379 120.200 0.050 0.000 2.085 478 E HA -0.285 4.051 4.350 -0.023 0.000 0.194 478 E C 2.150 178.758 176.600 0.013 0.000 0.994 478 E CA 1.478 57.905 56.400 0.046 0.000 0.801 478 E CB -0.306 29.455 29.700 0.102 0.000 0.743 478 E HN 0.529 nan 8.360 nan 0.000 0.453 479 N N 0.847 119.562 118.700 0.025 0.000 2.069 479 N HA -0.144 4.583 4.740 -0.023 0.000 0.191 479 N C 1.819 177.371 175.510 0.069 0.000 1.031 479 N CA 1.036 54.114 53.050 0.048 0.000 0.852 479 N CB -0.226 38.270 38.487 0.015 0.000 1.018 479 N HN -0.032 nan 8.380 nan 0.000 0.423 480 V N 1.011 120.953 119.914 0.047 0.000 2.295 480 V HA -0.202 3.905 4.120 -0.023 0.000 0.246 480 V C 2.225 178.152 176.094 -0.279 0.000 1.049 480 V CA 1.690 63.915 62.300 -0.126 0.000 1.024 480 V CB -0.421 31.337 31.823 -0.109 0.000 0.648 480 V HN 0.357 nan 8.190 nan 0.000 0.447 481 K N 0.214 120.500 120.400 -0.189 0.000 2.147 481 K HA -0.079 4.227 4.320 -0.023 0.000 0.205 481 K C 2.261 178.712 176.600 -0.248 0.000 1.049 481 K CA 1.331 57.499 56.287 -0.200 0.000 0.936 481 K CB -0.397 32.021 32.500 -0.137 0.000 0.722 481 K HN 0.486 nan 8.250 nan 0.000 0.446 482 A N 0.442 123.072 122.820 -0.317 0.000 1.898 482 A HA -0.159 4.148 4.320 -0.023 0.000 0.216 482 A C 1.792 178.995 177.584 -0.635 0.000 1.181 482 A CA 1.106 52.633 52.037 -0.850 0.000 0.620 482 A CB -0.805 17.697 19.000 -0.832 0.000 0.819 482 A HN 0.432 nan 8.150 nan 0.000 0.442 483 W N 0.087 121.203 121.300 -0.306 0.000 2.381 483 W HA -0.140 4.524 4.660 0.007 0.000 0.301 483 W C 2.718 179.083 176.519 -0.256 0.000 1.205 483 W CA 1.534 58.728 57.345 -0.253 0.000 1.285 483 W CB -0.248 29.020 29.460 -0.320 0.000 1.133 483 W HN 0.424 nan 8.180 nan 0.000 0.521 484 Q N -0.041 119.695 119.800 -0.107 0.000 2.112 484 Q HA -0.241 4.085 4.340 -0.023 0.000 0.206 484 Q C 1.989 177.974 176.000 -0.025 0.000 0.987 484 Q CA 2.058 57.813 55.803 -0.080 0.000 0.858 484 Q CB -0.602 28.034 28.738 -0.171 0.000 0.905 484 Q HN 0.397 nan 8.270 nan 0.000 0.420 485 I N 0.411 120.939 120.570 -0.069 0.000 2.202 485 I HA -0.254 3.902 4.170 -0.023 0.000 0.242 485 I C 2.449 178.610 176.117 0.074 0.000 1.091 485 I CA 0.918 62.229 61.300 0.017 0.000 1.368 485 I CB -0.434 37.602 38.000 0.061 0.000 1.058 485 I HN 0.157 nan 8.210 nan 0.000 0.410 486 A N 0.917 123.751 122.820 0.024 0.000 1.908 486 A HA -0.184 4.123 4.320 -0.023 0.000 0.218 486 A C 2.294 180.008 177.584 0.216 0.000 1.181 486 A CA 1.595 53.727 52.037 0.158 0.000 0.627 486 A CB -0.962 18.079 19.000 0.069 0.000 0.818 486 A HN 0.402 nan 8.150 nan 0.000 0.445 487 L N -0.929 120.322 121.223 0.048 0.000 2.201 487 L HA -0.149 4.177 4.340 -0.023 0.000 0.212 487 L C 1.894 178.713 176.870 -0.085 0.000 1.105 487 L CA 1.397 56.130 54.840 -0.178 0.000 0.775 487 L CB -0.416 41.253 42.059 -0.650 0.000 0.913 487 L HN 0.486 nan 8.230 nan 0.000 0.440 488 N N -0.551 118.189 118.700 0.067 0.000 2.373 488 N HA 0.131 4.858 4.740 -0.023 0.000 0.181 488 N C 0.695 176.303 175.510 0.164 0.000 1.082 488 N CA -0.033 53.117 53.050 0.166 0.000 0.885 488 N CB 0.324 38.901 38.487 0.151 0.000 0.977 488 N HN 0.212 nan 8.380 nan 0.000 0.462 489 A N 1.271 124.186 122.820 0.159 0.000 2.327 489 A HA 0.061 4.368 4.320 -0.023 0.000 0.255 489 A C 0.526 178.195 177.584 0.142 0.000 1.099 489 A CA -0.072 52.052 52.037 0.144 0.000 0.801 489 A CB 0.240 19.328 19.000 0.148 0.000 1.062 489 A HN 0.327 nan 8.150 nan 0.000 0.496 490 D N -1.127 119.338 120.400 0.109 0.000 2.363 490 D HA 0.184 4.811 4.640 -0.023 0.000 0.214 490 D C 0.219 176.561 176.300 0.071 0.000 1.093 490 D CA 0.264 54.323 54.000 0.098 0.000 0.837 490 D CB -0.509 40.342 40.800 0.086 0.000 0.948 490 D HN 0.550 nan 8.370 nan 0.000 0.507 491 I N -4.649 115.949 120.570 0.048 0.000 2.994 491 I HA 0.568 4.724 4.170 -0.023 0.000 0.306 491 I C -2.926 173.139 176.117 -0.087 0.000 1.195 491 I CA -2.868 58.421 61.300 -0.018 0.000 1.001 491 I CB 2.359 40.345 38.000 -0.024 0.000 1.244 491 I HN -0.410 nan 8.210 nan 0.000 0.437 492 P HA 0.171 nan 4.420 nan 0.000 0.270 492 P C -0.700 176.276 177.300 -0.540 0.000 1.223 492 P CA 0.006 62.861 63.100 -0.408 0.000 0.785 492 P CB 0.942 32.306 31.700 -0.560 0.000 0.923 493 S N -0.272 115.282 115.700 -0.244 0.000 2.570 493 S HA 0.717 5.173 4.470 -0.023 0.000 0.286 493 S C -0.651 174.004 174.600 0.091 0.000 1.099 493 S CA -0.520 57.622 58.200 -0.096 0.000 0.913 493 S CB 1.843 65.057 63.200 0.023 0.000 1.085 493 S HN 0.656 nan 8.310 nan 0.000 0.480 494 A N 1.569 124.420 122.820 0.050 0.000 2.340 494 A HA 0.864 5.171 4.320 -0.023 0.000 0.331 494 A C -1.427 175.907 177.584 -0.418 0.000 1.140 494 A CA -0.537 51.468 52.037 -0.054 0.000 0.801 494 A CB 0.408 19.390 19.000 -0.030 0.000 1.234 494 A HN 0.647 nan 8.150 nan 0.000 0.469 495 F N 1.652 121.531 119.950 -0.118 0.000 2.403 495 F HA 0.452 4.972 4.527 -0.012 0.000 0.355 495 F C -0.059 175.665 175.800 -0.128 0.000 1.119 495 F CA -0.562 57.378 58.000 -0.100 0.000 1.007 495 F CB 2.158 41.064 39.000 -0.157 0.000 1.194 495 F HN 0.230 nan 8.300 nan 0.000 0.443 496 V N 5.981 125.863 119.914 -0.053 0.000 2.333 496 V HA 0.457 4.563 4.120 -0.023 0.000 0.274 496 V C -0.137 175.905 176.094 -0.087 0.000 1.028 496 V CA -0.483 61.674 62.300 -0.238 0.000 0.851 496 V CB 0.937 32.466 31.823 -0.491 0.000 1.000 496 V HN 0.568 nan 8.190 nan 0.000 0.456 497 L N 3.907 125.115 121.223 -0.025 0.000 2.354 497 L HA 0.684 5.011 4.340 -0.023 0.000 0.264 497 L C 0.353 177.235 176.870 0.019 0.000 1.008 497 L CA -0.565 54.291 54.840 0.028 0.000 0.819 497 L CB 2.575 44.679 42.059 0.076 0.000 1.339 497 L HN 0.657 nan 8.230 nan 0.000 0.420 498 S N 0.229 115.922 115.700 -0.011 0.000 2.610 498 S HA 0.366 4.823 4.470 -0.023 0.000 0.273 498 S C 0.696 175.229 174.600 -0.111 0.000 1.274 498 S CA -0.610 57.563 58.200 -0.044 0.000 1.023 498 S CB 1.900 65.077 63.200 -0.039 0.000 0.962 498 S HN 0.757 nan 8.310 nan 0.000 0.523 499 R N 0.886 121.243 120.500 -0.237 0.000 2.073 499 R HA -0.025 4.301 4.340 -0.023 0.000 0.229 499 R C 0.933 177.127 176.300 -0.177 0.000 1.120 499 R CA 0.888 56.753 56.100 -0.392 0.000 0.967 499 R CB -0.140 29.782 30.300 -0.630 0.000 0.862 499 R HN 0.890 nan 8.270 nan 0.000 0.436 500 Q N 1.633 121.371 119.800 -0.105 0.000 2.221 500 Q HA 0.110 4.436 4.340 -0.023 0.000 0.242 500 Q C -1.169 174.796 176.000 -0.057 0.000 0.940 500 Q CA -0.418 55.354 55.803 -0.052 0.000 0.896 500 Q CB 1.095 29.841 28.738 0.013 0.000 1.226 500 Q HN -0.038 nan 8.270 nan 0.000 0.463 501 K N 2.262 122.627 120.400 -0.059 0.000 2.447 501 K HA 0.200 4.506 4.320 -0.023 0.000 0.281 501 K C -0.567 175.965 176.600 -0.113 0.000 1.031 501 K CA -0.056 56.180 56.287 -0.085 0.000 1.019 501 K CB 0.271 32.721 32.500 -0.083 0.000 0.918 501 K HN 0.565 nan 8.250 nan 0.000 0.476 502 L N 3.882 125.024 121.223 -0.135 0.000 2.334 502 L HA 0.428 4.754 4.340 -0.023 0.000 0.272 502 L C 0.261 176.978 176.870 -0.254 0.000 1.020 502 L CA -1.082 53.656 54.840 -0.170 0.000 0.812 502 L CB 1.490 43.479 42.059 -0.116 0.000 1.264 502 L HN 0.513 nan 8.230 nan 0.000 0.439 503 K N 1.372 121.532 120.400 -0.400 0.000 2.205 503 K HA 0.496 4.802 4.320 -0.023 0.000 0.279 503 K C -0.254 176.110 176.600 -0.394 0.000 1.027 503 K CA -0.450 55.467 56.287 -0.618 0.000 0.932 503 K CB 1.831 33.440 32.500 -1.486 0.000 1.032 503 K HN 0.723 nan 8.250 nan 0.000 0.466 504 A N 4.136 126.784 122.820 -0.287 0.000 2.498 504 A HA 0.216 4.522 4.320 -0.023 0.000 0.239 504 A C 0.108 177.674 177.584 -0.029 0.000 1.068 504 A CA -0.105 51.863 52.037 -0.115 0.000 0.766 504 A CB 0.081 19.045 19.000 -0.060 0.000 1.003 504 A HN 0.658 nan 8.150 nan 0.000 0.497 505 L N 2.035 123.308 121.223 0.084 0.000 2.358 505 L HA 0.329 4.655 4.340 -0.023 0.000 0.268 505 L C 0.473 177.443 176.870 0.166 0.000 1.032 505 L CA -1.119 53.839 54.840 0.197 0.000 0.805 505 L CB 0.710 42.891 42.059 0.202 0.000 1.253 505 L HN 0.699 nan 8.230 nan 0.000 0.452 506 N N 0.326 119.137 118.700 0.185 0.000 2.327 506 N HA 0.154 4.880 4.740 -0.023 0.000 0.257 506 N C -0.341 175.249 175.510 0.133 0.000 1.281 506 N CA -0.413 52.720 53.050 0.138 0.000 0.942 506 N CB 0.474 39.036 38.487 0.126 0.000 1.199 506 N HN 0.515 nan 8.380 nan 0.000 0.532 507 E N 0.544 120.805 120.200 0.100 0.000 2.374 507 E HA 0.207 4.543 4.350 -0.023 0.000 0.260 507 E C -2.030 174.637 176.600 0.112 0.000 1.101 507 E CA -1.284 55.164 56.400 0.080 0.000 0.907 507 E CB 0.050 29.777 29.700 0.046 0.000 1.014 507 E HN 0.273 nan 8.360 nan 0.000 0.427 508 P HA -0.060 nan 4.420 nan 0.000 0.268 508 P C 0.348 177.730 177.300 0.137 0.000 1.205 508 P CA 0.069 63.255 63.100 0.143 0.000 0.771 508 P CB 0.678 32.306 31.700 -0.121 0.000 0.858 509 V N 1.902 121.932 119.914 0.193 0.000 2.446 509 V HA 0.047 4.153 4.120 -0.023 0.000 0.244 509 V C 0.577 176.827 176.094 0.260 0.000 1.039 509 V CA 1.320 63.728 62.300 0.180 0.000 1.045 509 V CB -0.541 31.374 31.823 0.153 0.000 0.681 509 V HN 0.499 nan 8.190 nan 0.000 0.459 510 F N -0.616 119.400 119.950 0.109 0.000 2.605 510 F HA 0.639 5.153 4.527 -0.022 0.000 0.320 510 F C 0.039 175.951 175.800 0.186 0.000 1.159 510 F CA -0.012 58.051 58.000 0.106 0.000 0.999 510 F CB 1.067 40.099 39.000 0.054 0.000 1.258 510 F HN 0.326 nan 8.300 nan 0.000 0.464 511 G N 3.969 112.448 108.800 -0.535 0.000 2.760 511 G HA2 0.219 4.165 3.960 -0.023 0.000 0.246 511 G HA3 0.219 4.165 3.960 -0.023 0.000 0.246 511 G C -1.628 173.168 174.900 -0.173 0.000 1.359 511 G CA -0.125 44.819 45.100 -0.259 0.000 0.861 511 G HN 0.995 nan 8.290 nan 0.000 0.541 512 D N -3.113 117.184 120.400 -0.172 0.000 2.768 512 D HA 0.453 5.080 4.640 -0.023 0.000 0.327 512 D C 1.685 177.861 176.300 -0.206 0.000 1.302 512 D CA 0.152 53.893 54.000 -0.432 0.000 0.897 512 D CB 1.130 41.733 40.800 -0.329 0.000 1.420 512 D HN 0.658 nan 8.370 nan 0.000 0.494 513 V N 1.367 121.142 119.914 -0.233 0.000 2.392 513 V HA -0.261 3.845 4.120 -0.023 0.000 0.249 513 V C 2.273 178.403 176.094 0.060 0.000 1.059 513 V CA 2.620 64.939 62.300 0.030 0.000 1.051 513 V CB -0.753 31.072 31.823 0.004 0.000 0.658 513 V HN 0.591 nan 8.190 nan 0.000 0.455 514 K N 0.826 121.218 120.400 -0.014 0.000 2.281 514 K HA -0.205 4.101 4.320 -0.023 0.000 0.203 514 K C 1.354 177.941 176.600 -0.021 0.000 1.046 514 K CA 2.278 58.565 56.287 -0.001 0.000 0.938 514 K CB -0.562 31.913 32.500 -0.041 0.000 0.737 514 K HN 0.528 nan 8.250 nan 0.000 0.458 515 N N -0.040 118.624 118.700 -0.061 0.000 2.398 515 N HA 0.089 4.815 4.740 -0.023 0.000 0.188 515 N C 0.952 176.482 175.510 0.033 0.000 1.122 515 N CA 0.600 53.573 53.050 -0.129 0.000 0.866 515 N CB 0.966 39.248 38.487 -0.341 0.000 0.970 515 N HN 0.515 nan 8.380 nan 0.000 0.462 516 G N -0.075 108.770 108.800 0.075 0.000 2.579 516 G HA2 -0.262 3.684 3.960 -0.023 0.000 0.222 516 G HA3 -0.262 3.684 3.960 -0.023 0.000 0.222 516 G C 0.117 174.991 174.900 -0.044 0.000 1.201 516 G CA 0.092 45.236 45.100 0.074 0.000 0.710 516 G HN 0.617 nan 8.290 nan 0.000 0.516 517 A N -0.539 122.146 122.820 -0.226 0.000 2.435 517 A HA 0.952 5.258 4.320 -0.023 0.000 0.304 517 A C -0.748 176.759 177.584 -0.128 0.000 1.064 517 A CA 0.102 51.840 52.037 -0.500 0.000 0.727 517 A CB 1.364 19.418 19.000 -1.577 0.000 1.284 517 A HN 1.971 nan 8.150 nan 0.000 0.415 518 Y N -0.683 119.512 120.300 -0.175 0.000 2.625 518 Y HA 0.733 5.270 4.550 -0.023 0.000 0.338 518 Y C -1.431 174.440 175.900 -0.048 0.000 1.123 518 Y CA -1.486 56.587 58.100 -0.044 0.000 1.046 518 Y CB 0.941 39.397 38.460 -0.006 0.000 1.299 518 Y HN 0.523 nan 8.280 nan 0.000 0.464 519 L N 3.070 124.383 121.223 0.150 0.000 2.319 519 L HA 0.278 4.604 4.340 -0.023 0.000 0.280 519 L C 0.565 177.524 176.870 0.148 0.000 1.099 519 L CA -0.138 54.752 54.840 0.083 0.000 0.828 519 L CB 1.033 43.185 42.059 0.155 0.000 1.150 519 L HN 0.856 nan 8.230 nan 0.000 0.442 520 L N 2.786 124.021 121.223 0.020 0.000 2.357 520 L HA 0.184 4.510 4.340 -0.023 0.000 0.211 520 L C 0.700 177.605 176.870 0.058 0.000 1.075 520 L CA 0.555 55.438 54.840 0.072 0.000 0.830 520 L CB 0.138 42.203 42.059 0.010 0.000 0.996 520 L HN 0.510 nan 8.230 nan 0.000 0.467 521 K N 0.598 121.013 120.400 0.025 0.000 2.468 521 K HA 0.349 4.655 4.320 -0.023 0.000 0.252 521 K C -1.296 175.316 176.600 0.021 0.000 0.932 521 K CA -0.465 55.834 56.287 0.020 0.000 0.794 521 K CB 2.258 34.755 32.500 -0.004 0.000 1.241 521 K HN -0.171 nan 8.250 nan 0.000 0.428 522 E N 2.282 122.496 120.200 0.023 0.000 2.246 522 E HA 0.353 4.689 4.350 -0.023 0.000 0.266 522 E C -1.619 174.984 176.600 0.005 0.000 0.880 522 E CA -0.667 55.740 56.400 0.012 0.000 0.762 522 E CB 1.877 31.584 29.700 0.011 0.000 1.180 522 E HN 0.564 nan 8.360 nan 0.000 0.416 523 S N 1.940 117.640 115.700 0.001 0.000 2.513 523 S HA 0.563 5.019 4.470 -0.023 0.000 0.299 523 S C -0.248 174.344 174.600 -0.014 0.000 1.087 523 S CA -0.851 57.348 58.200 -0.002 0.000 1.012 523 S CB 1.572 64.778 63.200 0.010 0.000 1.044 523 S HN 0.629 nan 8.310 nan 0.000 0.485 524 K N 1.439 121.828 120.400 -0.019 0.000 2.436 524 K HA 0.225 4.531 4.320 -0.023 0.000 0.275 524 K C 0.513 177.096 176.600 -0.028 0.000 0.999 524 K CA -0.081 56.190 56.287 -0.027 0.000 0.980 524 K CB -0.468 32.016 32.500 -0.027 0.000 0.919 524 K HN 0.702 nan 8.250 nan 0.000 0.484 525 E N -1.558 118.621 120.200 -0.034 0.000 2.269 525 E HA -0.200 4.136 4.350 -0.023 0.000 0.223 525 E C 0.115 176.688 176.600 -0.045 0.000 1.244 525 E CA 0.900 57.276 56.400 -0.041 0.000 0.713 525 E CB -2.423 27.252 29.700 -0.042 0.000 1.178 525 E HN 1.089 nan 8.360 nan 0.000 0.370 526 A N 1.092 123.890 122.820 -0.036 0.000 2.520 526 A HA 0.073 4.379 4.320 -0.023 0.000 0.245 526 A C 1.407 178.936 177.584 -0.092 0.000 1.072 526 A CA 0.294 52.311 52.037 -0.034 0.000 0.761 526 A CB 0.522 19.520 19.000 -0.004 0.000 1.004 526 A HN 0.102 nan 8.150 nan 0.000 0.499 527 K N 1.034 121.331 120.400 -0.173 0.000 2.242 527 K HA 0.177 4.483 4.320 -0.023 0.000 0.200 527 K C -0.689 175.497 176.600 -0.689 0.000 1.050 527 K CA 0.926 56.944 56.287 -0.449 0.000 0.981 527 K CB 0.047 32.199 32.500 -0.579 0.000 0.795 527 K HN 0.653 nan 8.250 nan 0.000 0.477 528 F N -0.056 119.912 119.950 0.029 0.000 2.588 528 F HA 0.335 4.848 4.527 -0.023 0.000 0.314 528 F C -0.057 175.757 175.800 0.024 0.000 1.069 528 F CA -0.877 57.132 58.000 0.015 0.000 0.931 528 F CB 1.989 40.977 39.000 -0.019 0.000 1.260 528 F HN -0.412 nan 8.300 nan 0.000 0.465 529 T N 3.380 118.077 114.554 0.238 0.000 2.812 529 T HA 0.629 4.965 4.350 -0.023 0.000 0.282 529 T C -1.056 173.714 174.700 0.117 0.000 0.990 529 T CA -0.499 61.685 62.100 0.140 0.000 0.960 529 T CB 1.067 70.000 68.868 0.108 0.000 0.948 529 T HN 0.167 nan 8.240 nan 0.000 0.438 530 L N 3.746 125.004 121.223 0.058 0.000 2.265 530 L HA 0.569 4.895 4.340 -0.023 0.000 0.289 530 L C -0.332 176.539 176.870 0.001 0.000 1.033 530 L CA -0.325 54.528 54.840 0.022 0.000 0.814 530 L CB 0.946 42.992 42.059 -0.022 0.000 1.203 530 L HN 0.519 nan 8.230 nan 0.000 0.423 531 L N 3.686 124.920 121.223 0.018 0.000 2.296 531 L HA 0.951 5.277 4.340 -0.023 0.000 0.286 531 L C -0.395 176.480 176.870 0.008 0.000 1.023 531 L CA 0.005 54.840 54.840 -0.008 0.000 0.812 531 L CB 1.154 43.232 42.059 0.031 0.000 1.223 531 L HN 0.782 nan 8.230 nan 0.000 0.421 532 A N 3.020 125.826 122.820 -0.023 0.000 2.609 532 A HA 0.837 5.143 4.320 -0.023 0.000 0.291 532 A C -1.072 176.508 177.584 -0.008 0.000 1.096 532 A CA -0.161 51.883 52.037 0.011 0.000 0.684 532 A CB 1.904 20.917 19.000 0.022 0.000 1.282 532 A HN 0.719 nan 8.150 nan 0.000 0.412 533 S N -0.480 115.235 115.700 0.025 0.000 2.634 533 S HA 0.853 5.309 4.470 -0.023 0.000 0.296 533 S C 0.777 175.394 174.600 0.027 0.000 1.104 533 S CA 0.394 58.609 58.200 0.024 0.000 0.920 533 S CB 1.012 64.240 63.200 0.047 0.000 1.111 533 S HN 2.800 nan 8.310 nan 0.000 0.493 534 G N 2.148 110.966 108.800 0.030 0.000 2.627 534 G HA2 -0.378 3.568 3.960 -0.023 0.000 0.312 534 G HA3 -0.378 3.568 3.960 -0.023 0.000 0.312 534 G C 1.139 176.049 174.900 0.017 0.000 1.299 534 G CA 1.531 46.645 45.100 0.023 0.000 0.989 534 G HN 2.117 nan 8.290 nan 0.000 0.547 535 S N -0.211 115.489 115.700 -0.001 0.000 2.465 535 S HA -0.054 4.402 4.470 -0.023 0.000 0.241 535 S C 1.693 176.270 174.600 -0.038 0.000 1.000 535 S CA 2.264 60.447 58.200 -0.029 0.000 0.964 535 S CB -0.066 63.107 63.200 -0.044 0.000 0.763 535 S HN 0.641 nan 8.310 nan 0.000 0.512 536 E N 0.652 120.847 120.200 -0.008 0.000 2.474 536 E HA 0.221 4.558 4.350 -0.023 0.000 0.194 536 E C 1.772 178.404 176.600 0.055 0.000 1.041 536 E CA 0.080 56.494 56.400 0.024 0.000 0.874 536 E CB -0.180 29.560 29.700 0.066 0.000 0.914 536 E HN 0.384 nan 8.360 nan 0.000 0.498 537 V N 0.393 120.345 119.914 0.063 0.000 2.343 537 V HA -0.226 3.880 4.120 -0.023 0.000 0.247 537 V C 1.872 178.031 176.094 0.108 0.000 1.051 537 V CA 1.552 63.890 62.300 0.062 0.000 1.036 537 V CB -0.487 31.373 31.823 0.061 0.000 0.654 537 V HN 0.569 nan 8.190 nan 0.000 0.451 538 W N 0.148 121.419 121.300 -0.048 0.000 2.363 538 W HA -0.227 4.421 4.660 -0.020 0.000 0.296 538 W C 2.323 178.816 176.519 -0.044 0.000 1.212 538 W CA 1.806 59.124 57.345 -0.045 0.000 1.260 538 W CB -0.110 29.318 29.460 -0.054 0.000 1.131 538 W HN 0.315 nan 8.180 nan 0.000 0.530 539 L N 1.297 122.545 121.223 0.041 0.000 2.012 539 L HA -0.219 4.107 4.340 -0.023 0.000 0.210 539 L C 2.428 179.222 176.870 -0.126 0.000 1.073 539 L CA 2.296 57.107 54.840 -0.048 0.000 0.748 539 L CB -1.455 40.626 42.059 0.037 0.000 0.891 539 L HN -0.047 nan 8.230 nan 0.000 0.431 540 C N -0.764 118.482 119.300 -0.091 0.000 2.429 540 C HA -0.121 4.325 4.460 -0.023 0.000 0.277 540 C C 2.757 177.645 174.990 -0.170 0.000 1.262 540 C CA 0.841 59.794 59.018 -0.108 0.000 1.733 540 C CB -1.092 26.609 27.740 -0.065 0.000 2.010 540 C HN 0.601 nan 8.230 nan 0.000 0.483 541 L N 0.565 121.641 121.223 -0.244 0.000 2.017 541 L HA -0.147 4.180 4.340 -0.023 0.000 0.208 541 L C 2.801 179.437 176.870 -0.389 0.000 1.073 541 L CA 1.426 56.066 54.840 -0.333 0.000 0.745 541 L CB -0.683 41.077 42.059 -0.499 0.000 0.894 541 L HN 0.358 nan 8.230 nan 0.000 0.432 542 E N -0.231 119.666 120.200 -0.505 0.000 2.077 542 E HA -0.169 4.168 4.350 -0.023 0.000 0.193 542 E C 2.351 178.821 176.600 -0.216 0.000 0.989 542 E CA 1.500 57.673 56.400 -0.378 0.000 0.800 542 E CB -0.224 29.257 29.700 -0.366 0.000 0.746 542 E HN 0.406 nan 8.360 nan 0.000 0.452 543 S N 1.022 116.608 115.700 -0.190 0.000 2.368 543 S HA -0.100 4.356 4.470 -0.023 0.000 0.225 543 S C 2.123 176.652 174.600 -0.119 0.000 1.030 543 S CA 1.019 59.131 58.200 -0.148 0.000 0.999 543 S CB -0.140 62.963 63.200 -0.161 0.000 0.844 543 S HN 0.397 nan 8.310 nan 0.000 0.459 544 A N 2.055 124.807 122.820 -0.114 0.000 1.969 544 A HA -0.113 4.193 4.320 -0.023 0.000 0.218 544 A C 1.846 179.404 177.584 -0.042 0.000 1.169 544 A CA 1.451 53.453 52.037 -0.059 0.000 0.635 544 A CB -0.736 18.233 19.000 -0.053 0.000 0.810 544 A HN 0.617 nan 8.150 nan 0.000 0.445 545 N N -0.849 117.800 118.700 -0.085 0.000 2.142 545 N HA -0.168 4.558 4.740 -0.023 0.000 0.186 545 N C 1.824 177.316 175.510 -0.029 0.000 1.023 545 N CA 1.200 54.213 53.050 -0.061 0.000 0.852 545 N CB -0.103 38.325 38.487 -0.097 0.000 0.998 545 N HN 0.527 nan 8.380 nan 0.000 0.424 546 E N 1.448 121.623 120.200 -0.042 0.000 2.106 546 E HA -0.060 4.276 4.350 -0.023 0.000 0.192 546 E C 1.775 178.396 176.600 0.035 0.000 0.984 546 E CA 0.877 57.269 56.400 -0.014 0.000 0.806 546 E CB -0.169 29.509 29.700 -0.038 0.000 0.750 546 E HN 0.303 nan 8.360 nan 0.000 0.458 547 L N 0.573 121.821 121.223 0.040 0.000 2.141 547 L HA -0.112 4.214 4.340 -0.023 0.000 0.209 547 L C 2.363 179.384 176.870 0.251 0.000 1.094 547 L CA 1.121 56.053 54.840 0.153 0.000 0.763 547 L CB -0.302 41.818 42.059 0.100 0.000 0.908 547 L HN 0.131 nan 8.230 nan 0.000 0.437 548 E N 0.260 120.537 120.200 0.129 0.000 2.107 548 E HA -0.169 4.167 4.350 -0.023 0.000 0.191 548 E C 2.118 178.751 176.600 0.055 0.000 0.982 548 E CA 0.839 57.294 56.400 0.091 0.000 0.809 548 E CB 0.030 29.758 29.700 0.046 0.000 0.756 548 E HN 0.478 nan 8.360 nan 0.000 0.459 549 K N 0.719 121.147 120.400 0.047 0.000 2.097 549 K HA -0.130 4.176 4.320 -0.023 0.000 0.206 549 K C 1.979 178.601 176.600 0.037 0.000 1.049 549 K CA 0.966 57.269 56.287 0.028 0.000 0.933 549 K CB -0.042 32.470 32.500 0.020 0.000 0.717 549 K HN 0.118 nan 8.250 nan 0.000 0.442 550 Q N -0.576 119.281 119.800 0.095 0.000 2.444 550 Q HA 0.044 4.370 4.340 -0.023 0.000 0.206 550 Q C 0.485 176.459 176.000 -0.042 0.000 0.948 550 Q CA 0.438 56.310 55.803 0.115 0.000 0.946 550 Q CB 0.707 29.611 28.738 0.276 0.000 1.027 550 Q HN 0.519 nan 8.270 nan 0.000 0.513 551 G N 0.490 109.225 108.800 -0.107 0.000 2.130 551 G HA2 -0.233 3.713 3.960 -0.023 0.000 0.216 551 G HA3 -0.233 3.713 3.960 -0.023 0.000 0.216 551 G C -0.446 174.149 174.900 -0.508 0.000 0.999 551 G CA -0.517 44.395 45.100 -0.314 0.000 0.686 551 G HN 0.242 nan 8.290 nan 0.000 0.515 552 F N 0.988 120.971 119.950 0.055 0.000 2.449 552 F HA 0.725 5.238 4.527 -0.023 0.000 0.342 552 F C 0.658 176.502 175.800 0.072 0.000 1.127 552 F CA -0.625 57.425 58.000 0.084 0.000 0.975 552 F CB 1.903 41.051 39.000 0.247 0.000 1.146 552 F HN 0.321 nan 8.300 nan 0.000 0.444 553 A N 2.793 125.705 122.820 0.154 0.000 2.492 553 A HA 0.498 4.804 4.320 -0.023 0.000 0.254 553 A C -0.565 177.096 177.584 0.128 0.000 1.091 553 A CA -0.157 51.934 52.037 0.091 0.000 0.768 553 A CB -0.322 18.690 19.000 0.020 0.000 1.028 553 A HN 0.883 nan 8.150 nan 0.000 0.498 554 C N 2.675 122.046 119.300 0.118 0.000 2.626 554 C HA 0.561 5.007 4.460 -0.023 0.000 0.310 554 C C 0.024 175.052 174.990 0.064 0.000 1.191 554 C CA -1.018 58.075 59.018 0.126 0.000 1.517 554 C CB 1.583 29.404 27.740 0.134 0.000 2.102 554 C HN 0.953 nan 8.230 nan 0.000 0.479 555 N N 0.492 119.228 118.700 0.060 0.000 2.492 555 N HA 0.722 5.448 4.740 -0.023 0.000 0.289 555 N C -1.002 174.517 175.510 0.015 0.000 1.133 555 N CA -0.274 52.793 53.050 0.028 0.000 0.961 555 N CB 1.393 39.893 38.487 0.022 0.000 1.186 555 N HN 0.435 nan 8.380 nan 0.000 0.493 556 V N 1.302 121.207 119.914 -0.015 0.000 2.577 556 V HA 0.434 4.541 4.120 -0.023 0.000 0.303 556 V C -0.528 175.512 176.094 -0.090 0.000 1.042 556 V CA -0.770 61.502 62.300 -0.047 0.000 0.872 556 V CB 1.954 33.741 31.823 -0.060 0.000 0.998 556 V HN 0.282 nan 8.190 nan 0.000 0.423 557 V N 3.515 123.352 119.914 -0.128 0.000 2.448 557 V HA 0.531 4.637 4.120 -0.023 0.000 0.295 557 V C 0.325 176.244 176.094 -0.292 0.000 1.025 557 V CA -0.130 62.032 62.300 -0.230 0.000 0.859 557 V CB 1.943 33.638 31.823 -0.214 0.000 0.988 557 V HN 0.915 nan 8.190 nan 0.000 0.431 561 C N 0.942 120.290 119.300 0.080 0.000 2.679 561 C HA 0.489 4.935 4.460 -0.023 0.000 0.354 561 C C 1.365 176.412 174.990 0.095 0.000 1.067 561 C CA -0.940 58.067 59.018 -0.017 0.000 1.317 561 C CB -0.726 26.872 27.740 -0.238 0.000 1.843 561 C HN 0.314 nan 8.230 nan 0.000 0.459 562 F N 3.110 123.072 119.950 0.020 0.000 2.134 562 F HA -0.083 4.430 4.527 -0.024 0.000 0.299 562 F C 1.803 177.698 175.800 0.159 0.000 1.097 562 F CA 2.402 60.491 58.000 0.147 0.000 1.264 562 F CB 0.388 39.480 39.000 0.153 0.000 1.001 562 F HN 0.727 nan 8.300 nan 0.000 0.479 563 E N 0.616 121.000 120.200 0.305 0.000 2.106 563 E HA -0.175 4.161 4.350 -0.023 0.000 0.192 563 E C 2.198 178.851 176.600 0.088 0.000 0.984 563 E CA 1.437 57.956 56.400 0.199 0.000 0.806 563 E CB -0.405 29.370 29.700 0.124 0.000 0.750 563 E HN 0.454 nan 8.360 nan 0.000 0.458 564 L N -0.367 120.887 121.223 0.052 0.000 2.156 564 L HA -0.079 4.247 4.340 -0.023 0.000 0.208 564 L C 2.108 179.039 176.870 0.102 0.000 1.095 564 L CA 0.529 55.401 54.840 0.055 0.000 0.770 564 L CB -0.225 41.864 42.059 0.050 0.000 0.914 564 L HN 0.159 nan 8.230 nan 0.000 0.439 565 F N 1.374 121.260 119.950 -0.107 0.000 2.186 565 F HA -0.170 4.343 4.527 -0.022 0.000 0.299 565 F C 2.314 178.024 175.800 -0.150 0.000 1.090 565 F CA 1.350 59.238 58.000 -0.186 0.000 1.307 565 F CB -0.233 38.550 39.000 -0.361 0.000 1.019 565 F HN 0.086 nan 8.300 nan 0.000 0.489 566 E N -0.057 120.096 120.200 -0.079 0.000 2.267 566 E HA -0.224 4.113 4.350 -0.023 0.000 0.197 566 E C 1.695 178.273 176.600 -0.036 0.000 0.998 566 E CA 1.133 57.509 56.400 -0.040 0.000 0.830 566 E CB -0.186 29.526 29.700 0.019 0.000 0.751 566 E HN 0.462 nan 8.360 nan 0.000 0.491 567 K N 0.380 120.771 120.400 -0.014 0.000 2.444 567 K HA 0.041 4.347 4.320 -0.023 0.000 0.193 567 K C 0.403 176.991 176.600 -0.021 0.000 1.024 567 K CA 0.074 56.357 56.287 -0.006 0.000 1.077 567 K CB 0.379 32.885 32.500 0.010 0.000 0.833 567 K HN 0.007 nan 8.250 nan 0.000 0.517 568 Q N 1.723 121.501 119.800 -0.037 0.000 2.306 568 Q HA 0.030 4.357 4.340 -0.023 0.000 0.241 568 Q C -0.220 175.792 176.000 0.021 0.000 0.948 568 Q CA -0.082 55.710 55.803 -0.018 0.000 0.886 568 Q CB 0.806 29.580 28.738 0.060 0.000 1.227 568 Q HN 0.235 nan 8.270 nan 0.000 0.457 569 D N -0.393 120.047 120.400 0.066 0.000 2.383 569 D HA 0.213 4.839 4.640 -0.023 0.000 0.248 569 D C 0.897 177.267 176.300 0.116 0.000 1.170 569 D CA 0.002 54.048 54.000 0.077 0.000 0.977 569 D CB 0.471 41.315 40.800 0.073 0.000 1.120 569 D HN 0.435 nan 8.370 nan 0.000 0.481 570 K N 0.445 120.893 120.400 0.080 0.000 2.097 570 K HA 0.015 4.321 4.320 -0.023 0.000 0.206 570 K C 2.176 178.837 176.600 0.101 0.000 1.049 570 K CA 1.923 58.254 56.287 0.073 0.000 0.933 570 K CB -1.379 31.151 32.500 0.050 0.000 0.717 570 K HN 0.643 nan 8.250 nan 0.000 0.442 571 A N -0.281 122.609 122.820 0.116 0.000 1.908 571 A HA -0.120 4.187 4.320 -0.023 0.000 0.218 571 A C 2.299 179.991 177.584 0.179 0.000 1.181 571 A CA 1.959 54.071 52.037 0.125 0.000 0.627 571 A CB -0.703 18.369 19.000 0.120 0.000 0.818 571 A HN 0.750 nan 8.150 nan 0.000 0.445 572 Y N 0.377 120.768 120.300 0.153 0.000 2.163 572 Y HA -0.220 4.317 4.550 -0.023 0.000 0.288 572 Y C 2.588 178.635 175.900 0.245 0.000 1.136 572 Y CA 2.292 60.543 58.100 0.252 0.000 1.147 572 Y CB -0.441 38.148 38.460 0.215 0.000 0.987 572 Y HN 0.437 nan 8.280 nan 0.000 0.509 573 Q N -0.068 119.876 119.800 0.240 0.000 2.084 573 Q HA -0.217 4.109 4.340 -0.023 0.000 0.202 573 Q C 2.087 178.143 176.000 0.093 0.000 0.978 573 Q CA 1.923 57.821 55.803 0.160 0.000 0.844 573 Q CB -0.187 28.551 28.738 -0.000 0.000 0.898 573 Q HN 0.625 nan 8.270 nan 0.000 0.426 574 E N 0.354 120.594 120.200 0.067 0.000 2.150 574 E HA -0.195 4.141 4.350 -0.023 0.000 0.193 574 E C 1.989 178.591 176.600 0.003 0.000 0.985 574 E CA 0.638 57.064 56.400 0.043 0.000 0.814 574 E CB -0.026 29.698 29.700 0.039 0.000 0.752 574 E HN 0.175 nan 8.360 nan 0.000 0.466 575 R N 0.555 121.031 120.500 -0.040 0.000 2.075 575 R HA -0.145 4.181 4.340 -0.023 0.000 0.232 575 R C 2.009 178.250 176.300 -0.098 0.000 1.126 575 R CA 0.930 56.958 56.100 -0.119 0.000 0.963 575 R CB -0.052 30.099 30.300 -0.249 0.000 0.858 575 R HN 0.042 nan 8.270 nan 0.000 0.435 576 L N 0.540 121.712 121.223 -0.084 0.000 2.027 576 L HA -0.011 4.315 4.340 -0.023 0.000 0.206 576 L C 0.736 177.613 176.870 0.012 0.000 1.074 576 L CA 1.343 56.154 54.840 -0.048 0.000 0.745 576 L CB -0.304 41.710 42.059 -0.074 0.000 0.898 576 L HN 0.149 nan 8.230 nan 0.000 0.433 577 L N 1.293 122.553 121.223 0.061 0.000 2.352 577 L HA 0.225 4.551 4.340 -0.023 0.000 0.272 577 L C -0.173 176.754 176.870 0.095 0.000 1.109 577 L CA -0.320 54.581 54.840 0.102 0.000 0.952 577 L CB -0.168 41.982 42.059 0.152 0.000 1.314 577 L HN -0.019 nan 8.230 nan 0.000 0.427 578 K N 1.905 122.350 120.400 0.075 0.000 2.156 578 K HA 0.745 5.052 4.320 -0.023 0.000 0.254 578 K C 0.590 177.231 176.600 0.069 0.000 0.950 578 K CA -0.002 56.318 56.287 0.055 0.000 0.849 578 K CB 2.165 34.674 32.500 0.015 0.000 1.100 578 K HN 0.547 nan 8.250 nan 0.000 0.434 579 G N 1.924 110.744 108.800 0.033 0.000 2.539 579 G HA2 -0.308 3.638 3.960 -0.023 0.000 0.256 579 G HA3 -0.308 3.638 3.960 -0.023 0.000 0.256 579 G C -0.578 174.341 174.900 0.031 0.000 1.233 579 G CA 0.038 45.121 45.100 -0.029 0.000 0.936 579 G HN 0.654 nan 8.290 nan 0.000 0.571 580 E N -0.473 119.734 120.200 0.013 0.000 2.167 580 E HA 0.500 4.836 4.350 -0.023 0.000 0.284 580 E C -0.037 176.775 176.600 0.352 0.000 1.016 580 E CA -0.742 55.725 56.400 0.112 0.000 0.817 580 E CB 1.016 30.781 29.700 0.107 0.000 1.080 580 E HN 0.538 nan 8.360 nan 0.000 0.397 581 V N 6.488 126.740 119.914 0.564 0.000 2.383 581 V HA 0.304 4.410 4.120 -0.023 0.000 0.275 581 V C -0.074 176.185 176.094 0.274 0.000 1.036 581 V CA -0.531 61.973 62.300 0.340 0.000 0.889 581 V CB 0.813 32.776 31.823 0.234 0.000 0.985 581 V HN 0.609 nan 8.190 nan 0.000 0.459 582 I N 4.053 124.743 120.570 0.200 0.000 2.378 582 I HA 0.608 4.764 4.170 -0.023 0.000 0.291 582 I C 0.811 177.002 176.117 0.123 0.000 0.992 582 I CA 0.143 61.548 61.300 0.174 0.000 1.154 582 I CB 1.761 39.855 38.000 0.156 0.000 1.315 582 I HN 0.673 nan 8.210 nan 0.000 0.448 583 G N 5.376 114.239 108.800 0.106 0.000 2.356 583 G HA2 0.625 4.571 3.960 -0.023 0.000 0.298 583 G HA3 0.625 4.571 3.960 -0.023 0.000 0.298 583 G C -0.966 173.998 174.900 0.106 0.000 1.145 583 G CA -0.356 44.797 45.100 0.088 0.000 0.850 583 G HN 0.373 nan 8.290 nan 0.000 0.487 584 V N 2.305 122.292 119.914 0.121 0.000 2.569 584 V HA 0.583 4.689 4.120 -0.023 0.000 0.301 584 V C -0.441 175.775 176.094 0.203 0.000 1.044 584 V CA -0.674 61.742 62.300 0.193 0.000 0.874 584 V CB 1.514 33.429 31.823 0.153 0.000 1.002 584 V HN 0.888 nan 8.190 nan 0.000 0.424 585 E N 2.310 122.669 120.200 0.264 0.000 2.375 585 E HA 0.546 4.882 4.350 -0.023 0.000 0.280 585 E C -0.737 175.950 176.600 0.144 0.000 0.972 585 E CA -0.860 55.636 56.400 0.161 0.000 0.782 585 E CB 2.364 32.125 29.700 0.102 0.000 1.229 585 E HN 0.747 nan 8.360 nan 0.000 0.439 586 A N 1.803 124.575 122.820 -0.081 0.000 3.063 586 A HA 0.615 4.921 4.320 -0.023 0.000 0.263 586 A C -0.214 177.322 177.584 -0.080 0.000 1.736 586 A CA 0.590 52.482 52.037 -0.241 0.000 1.408 586 A CB -0.596 18.183 19.000 -0.368 0.000 1.108 586 A HN 0.500 nan 8.150 nan 0.000 0.621 587 A N 0.288 123.111 122.820 0.005 0.000 2.586 587 A HA 0.595 4.901 4.320 -0.023 0.000 0.290 587 A C -0.861 176.764 177.584 0.069 0.000 1.086 587 A CA -0.586 51.459 52.037 0.013 0.000 0.665 587 A CB 0.474 19.495 19.000 0.035 0.000 1.279 587 A HN 0.682 nan 8.150 nan 0.000 0.423 588 H N 1.511 120.534 119.070 -0.078 0.000 2.818 588 H HA 0.483 5.025 4.556 -0.023 0.000 0.269 588 H C -0.484 174.813 175.328 -0.052 0.000 1.277 588 H CA 0.323 56.327 56.048 -0.073 0.000 1.290 588 H CB 0.405 30.097 29.762 -0.117 0.000 1.479 588 H HN 0.547 nan 8.280 nan 0.000 0.507 589 S N 2.901 118.573 115.700 -0.047 0.000 2.060 589 S HA 0.116 4.572 4.470 -0.023 0.000 0.156 589 S C 0.415 174.962 174.600 -0.090 0.000 1.690 589 S CA -0.895 57.244 58.200 -0.101 0.000 1.238 589 S CB 0.090 63.262 63.200 -0.046 0.000 1.150 589 S HN 0.743 nan 8.310 nan 0.000 0.437 590 N N 2.390 121.006 118.700 -0.139 0.000 2.381 590 N HA -0.140 4.586 4.740 -0.023 0.000 0.182 590 N C 1.969 177.541 175.510 0.104 0.000 1.025 590 N CA 0.965 54.052 53.050 0.061 0.000 0.888 590 N CB 0.041 38.528 38.487 -0.001 0.000 0.965 590 N HN 0.731 nan 8.380 nan 0.000 0.438 591 E N 1.607 121.781 120.200 -0.042 0.000 2.267 591 E HA -0.199 4.137 4.350 -0.023 0.000 0.197 591 E C 1.584 178.274 176.600 0.150 0.000 0.998 591 E CA 0.805 57.185 56.400 -0.034 0.000 0.830 591 E CB -0.497 29.008 29.700 -0.324 0.000 0.751 591 E HN 0.501 nan 8.360 nan 0.000 0.491 592 L N -0.154 121.142 121.223 0.121 0.000 2.362 592 L HA -0.108 4.218 4.340 -0.023 0.000 0.219 592 L C 1.772 178.705 176.870 0.104 0.000 1.134 592 L CA 0.770 55.749 54.840 0.230 0.000 0.807 592 L CB -0.547 41.572 42.059 0.099 0.000 0.927 592 L HN 0.033 nan 8.230 nan 0.000 0.447 593 Y N 0.043 120.402 120.300 0.098 0.000 2.616 593 Y HA -0.179 4.358 4.550 -0.022 0.000 0.296 593 Y C 2.422 178.289 175.900 -0.055 0.000 1.154 593 Y CA 0.750 58.872 58.100 0.037 0.000 1.325 593 Y CB -0.399 38.074 38.460 0.021 0.000 1.007 593 Y HN 0.132 nan 8.280 nan 0.000 0.542 594 K N -0.351 120.047 120.400 -0.003 0.000 2.103 594 K HA -0.179 4.127 4.320 -0.023 0.000 0.207 594 K C 0.619 176.872 176.600 -0.578 0.000 1.048 594 K CA 1.774 57.840 56.287 -0.368 0.000 0.930 594 K CB -0.161 31.986 32.500 -0.588 0.000 0.716 594 K HN 0.260 nan 8.250 nan 0.000 0.444 595 F N -0.912 119.067 119.950 0.049 0.000 2.746 595 F HA 0.244 4.757 4.527 -0.023 0.000 0.313 595 F C 0.317 176.096 175.800 -0.036 0.000 1.095 595 F CA -0.696 57.307 58.000 0.004 0.000 1.224 595 F CB 0.463 39.517 39.000 0.090 0.000 1.060 595 F HN -0.122 nan 8.300 nan 0.000 0.584 596 C N 0.209 119.563 119.300 0.090 0.000 2.456 596 C HA 0.355 4.801 4.460 -0.023 0.000 0.325 596 C C 1.684 176.656 174.990 -0.030 0.000 1.217 596 C CA -0.568 58.462 59.018 0.020 0.000 1.687 596 C CB 1.009 28.767 27.740 0.031 0.000 2.270 596 C HN 0.405 nan 8.230 nan 0.000 0.499 597 H N 0.580 119.757 119.070 0.179 0.000 2.403 597 H HA 0.068 4.610 4.556 -0.023 0.000 0.298 597 H C 0.183 175.673 175.328 0.270 0.000 1.059 597 H CA 0.942 57.115 56.048 0.208 0.000 1.363 597 H CB 0.346 30.199 29.762 0.151 0.000 1.410 597 H HN 0.577 nan 8.280 nan 0.000 0.528 598 K N 0.798 121.387 120.400 0.315 0.000 2.375 598 K HA 0.541 4.847 4.320 -0.023 0.000 0.249 598 K C -1.120 175.556 176.600 0.126 0.000 0.942 598 K CA -0.654 55.820 56.287 0.312 0.000 0.806 598 K CB 3.641 36.349 32.500 0.348 0.000 1.227 598 K HN -0.235 nan 8.250 nan 0.000 0.430 599 V N 2.446 122.386 119.914 0.044 0.000 2.531 599 V HA 0.225 4.332 4.120 -0.023 0.000 0.301 599 V C -1.506 174.625 176.094 0.060 0.000 1.034 599 V CA -0.836 61.420 62.300 -0.073 0.000 0.865 599 V CB 1.232 32.801 31.823 -0.422 0.000 0.995 599 V HN 0.684 nan 8.190 nan 0.000 0.424 600 Y N 4.290 124.493 120.300 -0.162 0.000 2.593 600 Y HA 0.734 5.270 4.550 -0.023 0.000 0.331 600 Y C 0.490 176.315 175.900 -0.124 0.000 0.986 600 Y CA 0.021 57.892 58.100 -0.381 0.000 1.262 600 Y CB 0.942 39.039 38.460 -0.605 0.000 1.098 600 Y HN 0.747 nan 8.280 nan 0.000 0.506 601 G N 4.346 113.043 108.800 -0.172 0.000 3.247 601 G HA2 0.583 4.529 3.960 -0.023 0.000 0.226 601 G HA3 0.583 4.529 3.960 -0.023 0.000 0.226 601 G C -1.502 173.395 174.900 -0.006 0.000 1.220 601 G CA -0.927 44.201 45.100 0.045 0.000 0.875 601 G HN 0.403 nan 8.290 nan 0.000 0.606 602 I N 0.266 120.859 120.570 0.038 0.000 2.447 602 I HA 0.328 4.484 4.170 -0.023 0.000 0.287 602 I C 0.169 176.179 176.117 -0.178 0.000 1.023 602 I CA -0.316 60.949 61.300 -0.058 0.000 1.083 602 I CB 2.648 40.546 38.000 -0.170 0.000 1.245 602 I HN 0.622 nan 8.210 nan 0.000 0.434 603 E N 2.702 122.755 120.200 -0.245 0.000 2.460 603 E HA 0.040 4.377 4.350 -0.023 0.000 0.200 603 E C 0.492 176.798 176.600 -0.490 0.000 1.011 603 E CA 0.077 56.162 56.400 -0.524 0.000 0.912 603 E CB 0.668 30.166 29.700 -0.336 0.000 0.953 603 E HN 0.725 nan 8.360 nan 0.000 0.494 604 S N -0.512 115.008 115.700 -0.300 0.000 2.766 604 S HA 0.448 4.904 4.470 -0.023 0.000 0.307 604 S C -0.052 174.341 174.600 -0.345 0.000 1.121 604 S CA -0.908 57.135 58.200 -0.262 0.000 0.980 604 S CB 0.702 63.902 63.200 0.000 0.000 1.159 604 S HN -0.095 nan 8.310 nan 0.000 0.546 605 F N 0.901 120.812 119.950 -0.064 0.000 2.435 605 F HA 0.532 5.045 4.527 -0.023 0.000 0.316 605 F C 1.669 177.430 175.800 -0.066 0.000 1.220 605 F CA 0.540 58.492 58.000 -0.080 0.000 1.241 605 F CB -0.048 38.927 39.000 -0.041 0.000 1.234 605 F HN 0.927 nan 8.300 nan 0.000 0.569 606 G N -0.317 108.556 108.800 0.121 0.000 2.485 606 G HA2 0.452 4.398 3.960 -0.023 0.000 0.260 606 G HA3 0.452 4.398 3.960 -0.023 0.000 0.260 606 G C -0.894 174.140 174.900 0.223 0.000 1.459 606 G CA -0.349 44.759 45.100 0.013 0.000 1.060 606 G HN 0.448 nan 8.290 nan 0.000 0.546 607 E N -1.249 119.070 120.200 0.198 0.000 2.366 607 E HA 0.312 4.648 4.350 -0.023 0.000 0.278 607 E C -1.167 175.471 176.600 0.064 0.000 0.923 607 E CA -0.643 55.846 56.400 0.148 0.000 0.761 607 E CB 1.887 31.693 29.700 0.178 0.000 1.231 607 E HN 0.325 nan 8.360 nan 0.000 0.443 608 S N 0.851 116.569 115.700 0.029 0.000 2.448 608 S HA 0.659 5.115 4.470 -0.023 0.000 0.279 608 S C -0.057 174.545 174.600 0.003 0.000 1.195 608 S CA 0.396 58.595 58.200 -0.000 0.000 1.051 608 S CB 0.020 63.212 63.200 -0.013 0.000 0.948 608 S HN 0.625 nan 8.310 nan 0.000 0.493 609 G N 3.862 112.660 108.800 -0.004 0.000 2.451 609 G HA2 0.293 4.239 3.960 -0.023 0.000 0.292 609 G HA3 0.293 4.239 3.960 -0.023 0.000 0.292 609 G C -1.746 173.153 174.900 -0.002 0.000 1.427 609 G CA -1.012 44.089 45.100 0.001 0.000 0.792 609 G HN 0.644 nan 8.290 nan 0.000 0.498 610 K N 0.679 121.085 120.400 0.010 0.000 2.489 610 K HA 0.062 4.369 4.320 -0.023 0.000 0.278 610 K C 1.205 177.821 176.600 0.027 0.000 1.000 610 K CA 0.433 56.732 56.287 0.019 0.000 1.012 610 K CB 1.038 33.556 32.500 0.030 0.000 0.903 610 K HN 0.676 nan 8.250 nan 0.000 0.485 611 D N 3.915 124.331 120.400 0.028 0.000 2.154 611 D HA -0.277 4.349 4.640 -0.023 0.000 0.190 611 D C 0.961 177.366 176.300 0.175 0.000 1.003 611 D CA 1.871 55.898 54.000 0.046 0.000 0.849 611 D CB -0.105 40.752 40.800 0.096 0.000 0.942 611 D HN 0.458 nan 8.370 nan 0.000 0.446 612 K N 0.069 120.582 120.400 0.188 0.000 2.063 612 K HA -0.131 4.175 4.320 -0.023 0.000 0.208 612 K C 1.885 178.597 176.600 0.187 0.000 1.048 612 K CA 1.550 57.969 56.287 0.221 0.000 0.928 612 K CB -0.097 32.486 32.500 0.138 0.000 0.713 612 K HN 0.175 nan 8.250 nan 0.000 0.442 613 D N 0.238 120.707 120.400 0.114 0.000 2.144 613 D HA -0.116 4.510 4.640 -0.023 0.000 0.199 613 D C 1.932 178.286 176.300 0.090 0.000 0.984 613 D CA 0.926 54.975 54.000 0.082 0.000 0.834 613 D CB -0.147 40.680 40.800 0.045 0.000 0.955 613 D HN -0.040 nan 8.370 nan 0.000 0.465 614 V N 0.460 120.424 119.914 0.084 0.000 2.323 614 V HA -0.175 3.931 4.120 -0.023 0.000 0.244 614 V C 2.126 178.349 176.094 0.215 0.000 1.041 614 V CA 1.032 63.392 62.300 0.100 0.000 1.025 614 V CB -0.546 31.276 31.823 -0.002 0.000 0.656 614 V HN 0.024 nan 8.190 nan 0.000 0.451 615 F N 0.856 120.936 119.950 0.217 0.000 2.126 615 F HA -0.172 4.340 4.527 -0.024 0.000 0.299 615 F C 2.479 178.456 175.800 0.295 0.000 1.096 615 F CA 1.941 60.115 58.000 0.290 0.000 1.255 615 F CB -0.543 38.572 39.000 0.192 0.000 0.997 615 F HN 0.190 nan 8.300 nan 0.000 0.479 616 E N 0.613 121.026 120.200 0.355 0.000 2.077 616 E HA -0.246 4.091 4.350 -0.023 0.000 0.193 616 E C 2.269 178.930 176.600 0.101 0.000 0.989 616 E CA 1.395 57.914 56.400 0.198 0.000 0.800 616 E CB -0.183 29.595 29.700 0.129 0.000 0.746 616 E HN 0.188 nan 8.360 nan 0.000 0.452 617 R N -0.546 119.971 120.500 0.029 0.000 2.091 617 R HA -0.109 4.217 4.340 -0.023 0.000 0.238 617 R C 1.546 177.660 176.300 -0.310 0.000 1.136 617 R CA 1.741 57.728 56.100 -0.188 0.000 0.959 617 R CB -0.814 29.288 30.300 -0.330 0.000 0.856 617 R HN 0.243 nan 8.270 nan 0.000 0.437 618 F N -0.325 119.689 119.950 0.107 0.000 2.773 618 F HA 0.344 4.857 4.527 -0.023 0.000 0.304 618 F C 1.535 177.284 175.800 -0.086 0.000 1.129 618 F CA 0.681 58.734 58.000 0.088 0.000 1.378 618 F CB 0.685 39.831 39.000 0.243 0.000 1.095 618 F HN 0.389 nan 8.300 nan 0.000 0.565 619 G N -0.451 108.380 108.800 0.051 0.000 2.157 619 G HA2 -0.296 3.650 3.960 -0.023 0.000 0.239 619 G HA3 -0.296 3.650 3.960 -0.023 0.000 0.239 619 G C 0.145 174.987 174.900 -0.097 0.000 0.982 619 G CA -0.579 44.464 45.100 -0.094 0.000 0.650 619 G HN 0.199 nan 8.290 nan 0.000 0.527 620 F N 3.038 123.153 119.950 0.274 0.000 2.605 620 F HA 0.548 5.062 4.527 -0.022 0.000 0.352 620 F C 1.040 176.907 175.800 0.112 0.000 1.236 620 F CA 0.255 58.395 58.000 0.234 0.000 1.267 620 F CB 0.487 39.647 39.000 0.266 0.000 1.632 620 F HN 0.371 nan 8.300 nan 0.000 0.639 621 S N -0.930 114.844 115.700 0.125 0.000 2.579 621 S HA 0.481 4.938 4.470 -0.023 0.000 0.272 621 S C 0.226 174.822 174.600 -0.006 0.000 1.141 621 S CA -0.887 57.353 58.200 0.068 0.000 0.843 621 S CB 1.500 64.739 63.200 0.065 0.000 1.122 621 S HN -0.030 nan 8.310 nan 0.000 0.468 622 V N 1.841 121.743 119.914 -0.020 0.000 2.358 622 V HA -0.119 3.987 4.120 -0.023 0.000 0.246 622 V C 2.646 178.699 176.094 -0.069 0.000 1.047 622 V CA 2.533 64.795 62.300 -0.063 0.000 1.035 622 V CB -1.108 30.679 31.823 -0.060 0.000 0.658 622 V HN 0.947 nan 8.190 nan 0.000 0.452 623 S N -0.504 115.174 115.700 -0.037 0.000 2.368 623 S HA -0.200 4.256 4.470 -0.023 0.000 0.225 623 S C 1.972 176.548 174.600 -0.040 0.000 1.030 623 S CA 1.477 59.657 58.200 -0.033 0.000 0.999 623 S CB -0.225 62.969 63.200 -0.010 0.000 0.844 623 S HN 0.599 nan 8.310 nan 0.000 0.459 624 K N 0.530 120.913 120.400 -0.030 0.000 2.103 624 K HA 0.025 4.331 4.320 -0.023 0.000 0.204 624 K C 2.066 178.611 176.600 -0.092 0.000 1.052 624 K CA 0.743 57.022 56.287 -0.013 0.000 0.945 624 K CB -0.286 32.239 32.500 0.042 0.000 0.722 624 K HN 0.172 nan 8.250 nan 0.000 0.443 625 L N 1.067 122.147 121.223 -0.239 0.000 2.056 625 L HA -0.127 4.199 4.340 -0.023 0.000 0.207 625 L C 1.992 178.689 176.870 -0.289 0.000 1.078 625 L CA 1.463 56.004 54.840 -0.498 0.000 0.749 625 L CB -0.309 41.446 42.059 -0.506 0.000 0.901 625 L HN -0.120 nan 8.230 nan 0.000 0.433 626 V N 0.408 120.196 119.914 -0.210 0.000 2.343 626 V HA -0.278 3.828 4.120 -0.023 0.000 0.247 626 V C 2.411 178.395 176.094 -0.183 0.000 1.051 626 V CA 1.838 64.012 62.300 -0.210 0.000 1.036 626 V CB -0.921 30.811 31.823 -0.153 0.000 0.654 626 V HN 0.514 nan 8.190 nan 0.000 0.451 627 N N -0.169 118.469 118.700 -0.103 0.000 2.104 627 N HA -0.193 4.533 4.740 -0.023 0.000 0.190 627 N C 1.663 177.151 175.510 -0.037 0.000 1.024 627 N CA 1.629 54.642 53.050 -0.061 0.000 0.853 627 N CB -0.559 37.921 38.487 -0.011 0.000 1.008 627 N HN 0.533 nan 8.380 nan 0.000 0.424 628 F N 1.620 121.469 119.950 -0.168 0.000 2.095 628 F HA -0.068 4.445 4.527 -0.022 0.000 0.298 628 F C 2.127 177.806 175.800 -0.202 0.000 1.104 628 F CA 1.149 59.066 58.000 -0.137 0.000 1.232 628 F CB -0.290 38.620 39.000 -0.149 0.000 0.987 628 F HN -0.064 nan 8.300 nan 0.000 0.475 629 I N 0.035 120.469 120.570 -0.228 0.000 2.286 629 I HA -0.293 3.863 4.170 -0.023 0.000 0.248 629 I C 1.891 177.675 176.117 -0.556 0.000 1.115 629 I CA 1.181 62.185 61.300 -0.493 0.000 1.392 629 I CB -0.415 37.194 38.000 -0.652 0.000 1.065 629 I HN 0.146 nan 8.210 nan 0.000 0.418 630 L N 0.711 121.675 121.223 -0.432 0.000 2.612 630 L HA 0.063 4.389 4.340 -0.023 0.000 0.230 630 L C 0.984 177.736 176.870 -0.196 0.000 1.140 630 L CA 0.177 54.824 54.840 -0.322 0.000 0.896 630 L CB -0.354 41.524 42.059 -0.301 0.000 1.065 630 L HN 0.437 nan 8.230 nan 0.000 0.447 631 S N -1.185 114.375 115.700 -0.233 0.000 3.614 631 S HA -0.210 4.246 4.470 -0.023 0.000 0.360 631 S C -0.012 174.528 174.600 -0.101 0.000 1.023 631 S CA 1.091 59.178 58.200 -0.188 0.000 1.114 631 S CB -2.312 60.793 63.200 -0.157 0.000 0.907 631 S HN 0.780 nan 8.310 nan 0.000 0.470 632 K N 0.000 120.352 120.400 -0.081 0.000 2.780 632 K HA 0.000 4.306 4.320 -0.023 0.000 0.191 632 K CA 0.000 56.263 56.287 -0.039 0.000 0.838 632 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 632 K HN 0.000 nan 8.250 nan 0.000 0.543