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 3phf_1_O DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.738 176.870 -0.221 0.000 1.165 20 L CA 0.000 54.818 54.840 -0.036 0.000 0.813 20 L CB 0.000 42.067 42.059 0.013 0.000 0.961 21 S N 3.806 119.205 115.700 -0.502 0.000 3.974 21 S HA 0.147 4.617 4.470 -0.000 0.000 0.641 21 S C -0.598 173.304 174.600 -1.163 0.000 0.627 21 S CA 0.702 58.021 58.200 -1.468 0.000 1.384 21 S CB -1.012 61.710 63.200 -0.797 0.000 0.778 21 S HN 0.947 nan 8.310 nan 0.000 0.856 22 E N -0.146 119.380 120.200 -1.123 0.000 3.930 22 E HA 0.382 4.731 4.350 -0.000 0.000 0.349 22 E C -1.368 175.134 176.600 -0.164 0.000 1.115 22 E CA 0.061 56.128 56.400 -0.555 0.000 0.875 22 E CB 1.087 30.582 29.700 -0.342 0.000 1.159 22 E HN 1.045 nan 8.360 nan 0.000 0.540 23 V N 3.368 123.257 119.914 -0.041 0.000 3.174 23 V HA 0.737 4.857 4.120 -0.000 0.000 0.280 23 V C -1.924 174.195 176.094 0.041 0.000 1.554 23 V CA -0.387 61.947 62.300 0.056 0.000 1.016 23 V CB 2.021 33.933 31.823 0.148 0.000 1.197 23 V HN 0.684 nan 8.190 nan 0.000 0.453 24 K N 4.518 124.916 120.400 -0.004 0.000 2.395 24 K HA 0.900 5.219 4.320 -0.000 0.000 0.247 24 K C -1.718 174.784 176.600 -0.162 0.000 0.973 24 K CA -0.862 55.380 56.287 -0.074 0.000 0.828 24 K CB 2.316 34.743 32.500 -0.122 0.000 1.272 24 K HN 1.066 nan 8.250 nan 0.000 0.439 25 L N -0.942 120.155 121.223 -0.209 0.000 2.370 25 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 25 L C -1.416 175.230 176.870 -0.373 0.000 1.002 25 L CA -0.703 54.022 54.840 -0.193 0.000 0.818 25 L CB 1.558 43.619 42.059 0.003 0.000 1.325 25 L HN 0.669 nan 8.230 nan 0.000 0.418 26 H N 1.951 120.977 119.070 -0.074 0.000 2.539 26 H HA 0.712 5.268 4.556 -0.000 0.000 0.332 26 H C -0.357 174.939 175.328 -0.053 0.000 1.031 26 H CA -0.614 55.312 56.048 -0.204 0.000 1.206 26 H CB 1.471 30.992 29.762 -0.402 0.000 1.446 26 H HN 0.520 nan 8.280 nan 0.000 0.496 27 L N 1.255 122.552 121.223 0.124 0.000 2.977 27 L HA 0.397 4.737 4.340 -0.000 0.000 0.175 27 L C 0.221 177.164 176.870 0.121 0.000 1.360 27 L CA 0.230 55.156 54.840 0.143 0.000 1.392 27 L CB 0.477 42.667 42.059 0.218 0.000 2.342 27 L HN 0.767 nan 8.230 nan 0.000 0.524 28 D N -0.656 119.818 120.400 0.123 0.000 2.686 28 D HA 0.169 4.809 4.640 -0.000 0.000 0.229 28 D C -0.145 176.216 176.300 0.103 0.000 1.391 28 D CA -0.042 54.024 54.000 0.110 0.000 0.948 28 D CB 0.088 40.935 40.800 0.079 0.000 1.513 28 D HN 0.255 nan 8.370 nan 0.000 0.522 29 I N 0.046 120.689 120.570 0.121 0.000 2.274 29 I HA 0.002 4.172 4.170 -0.000 0.000 0.163 29 I C 1.098 177.275 176.117 0.100 0.000 1.429 29 I CA -0.218 61.141 61.300 0.099 0.000 0.542 29 I CB 0.045 38.102 38.000 0.095 0.000 1.906 29 I HN 0.168 nan 8.210 nan 0.000 1.110 30 E N 1.051 121.309 120.200 0.097 0.000 1.909 30 E HA 0.137 4.487 4.350 -0.000 0.000 0.253 30 E C 0.600 177.306 176.600 0.177 0.000 1.268 30 E CA 0.951 57.415 56.400 0.107 0.000 0.999 30 E CB -0.730 29.022 29.700 0.088 0.000 1.072 30 E HN 0.675 nan 8.360 nan 0.000 0.428 31 G N 4.110 112.981 108.800 0.119 0.000 3.639 31 G HA2 -0.413 3.546 3.960 -0.000 0.000 0.224 31 G HA3 -0.413 3.546 3.960 -0.000 0.000 0.224 31 G C 0.136 175.079 174.900 0.072 0.000 1.339 31 G CA 0.590 45.737 45.100 0.079 0.000 0.933 31 G HN 0.679 nan 8.290 nan 0.000 0.568 32 H N 1.712 120.805 119.070 0.038 0.000 2.948 32 H HA 0.503 5.059 4.556 -0.000 0.000 0.351 32 H C 0.886 176.255 175.328 0.069 0.000 1.079 32 H CA 0.720 56.796 56.048 0.045 0.000 1.407 32 H CB 0.746 30.531 29.762 0.038 0.000 1.373 32 H HN 0.795 nan 8.280 nan 0.000 0.605 33 A N 3.059 125.989 122.820 0.184 0.000 2.269 33 A HA 0.414 4.734 4.320 -0.000 0.000 0.302 33 A C -0.028 177.721 177.584 0.276 0.000 1.266 33 A CA -0.617 51.544 52.037 0.207 0.000 0.894 33 A CB 0.273 19.413 19.000 0.232 0.000 1.147 33 A HN 0.629 nan 8.150 nan 0.000 0.537 34 S N 1.206 117.037 115.700 0.218 0.000 2.616 34 S HA 0.538 5.008 4.470 -0.000 0.000 0.277 34 S C -0.758 173.901 174.600 0.098 0.000 1.234 34 S CA -0.261 58.017 58.200 0.130 0.000 1.028 34 S CB 0.474 63.749 63.200 0.126 0.000 0.988 34 S HN 0.724 nan 8.310 nan 0.000 0.522 35 H N 0.999 119.865 119.070 -0.340 0.000 2.906 35 H HA 0.440 4.996 4.556 -0.000 0.000 0.324 35 H C -1.525 173.515 175.328 -0.480 0.000 0.973 35 H CA -0.273 55.613 56.048 -0.271 0.000 1.321 35 H CB 0.382 30.076 29.762 -0.114 0.000 1.535 35 H HN 0.489 nan 8.280 nan 0.000 0.518 36 Y N 0.949 121.229 120.300 -0.033 0.000 2.376 36 Y HA 0.433 4.983 4.550 -0.000 0.000 0.340 36 Y C 0.226 176.081 175.900 -0.075 0.000 0.965 36 Y CA -1.039 57.043 58.100 -0.029 0.000 1.078 36 Y CB 2.001 40.448 38.460 -0.021 0.000 1.193 36 Y HN 0.508 nan 8.280 nan 0.000 0.452 37 T N 1.316 115.931 114.554 0.103 0.000 2.772 37 T HA 0.658 5.008 4.350 -0.000 0.000 0.288 37 T C -0.613 174.123 174.700 0.059 0.000 0.994 37 T CA -0.588 61.535 62.100 0.037 0.000 0.951 37 T CB 0.167 69.040 68.868 0.009 0.000 0.933 37 T HN 0.504 nan 8.240 nan 0.000 0.447 38 I N 5.267 125.876 120.570 0.065 0.000 2.310 38 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 38 I C -2.401 173.772 176.117 0.094 0.000 1.073 38 I CA -2.497 58.860 61.300 0.095 0.000 1.216 38 I CB 1.356 39.433 38.000 0.129 0.000 1.415 38 I HN 0.384 nan 8.210 nan 0.000 0.480 39 P HA 0.047 nan 4.420 nan 0.000 0.256 39 P C 0.664 177.916 177.300 -0.081 0.000 1.689 39 P CA -0.431 62.592 63.100 -0.128 0.000 1.124 39 P CB -0.074 31.560 31.700 -0.111 0.000 1.766 40 W N 1.590 122.869 121.300 -0.034 0.000 2.721 40 W HA -0.066 4.594 4.660 -0.000 0.000 0.245 40 W C 0.995 177.499 176.519 -0.025 0.000 1.276 40 W CA 0.730 58.057 57.345 -0.030 0.000 1.342 40 W CB -2.043 27.393 29.460 -0.040 0.000 1.135 40 W HN 0.177 nan 8.180 nan 0.000 0.654 41 T N 1.094 115.463 114.554 -0.309 0.000 2.777 41 T HA -0.261 4.089 4.350 -0.000 0.000 0.266 41 T C 1.760 176.407 174.700 -0.089 0.000 1.040 41 T CA 2.203 64.145 62.100 -0.262 0.000 1.141 41 T CB -0.185 68.452 68.868 -0.385 0.000 0.868 41 T HN 0.307 nan 8.240 nan 0.000 0.444 42 E N -0.261 119.894 120.200 -0.075 0.000 2.158 42 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 42 E C 2.353 178.959 176.600 0.010 0.000 0.982 42 E CA 0.509 56.891 56.400 -0.030 0.000 0.823 42 E CB -0.182 29.498 29.700 -0.033 0.000 0.766 42 E HN 0.535 nan 8.360 nan 0.000 0.468 43 L N 0.407 121.654 121.223 0.040 0.000 2.046 43 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 43 L C 2.753 179.665 176.870 0.070 0.000 1.077 43 L CA 1.131 56.010 54.840 0.065 0.000 0.747 43 L CB -0.327 41.793 42.059 0.102 0.000 0.896 43 L HN 0.286 nan 8.230 nan 0.000 0.432 44 M N -0.880 118.777 119.600 0.095 0.000 2.346 44 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 44 M C 2.336 178.670 176.300 0.056 0.000 1.064 44 M CA 1.650 57.005 55.300 0.091 0.000 1.083 44 M CB -0.481 32.194 32.600 0.126 0.000 1.399 44 M HN 0.348 nan 8.290 nan 0.000 0.435 45 A N 0.322 123.165 122.820 0.039 0.000 1.874 45 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 45 A C 2.057 179.656 177.584 0.025 0.000 1.189 45 A CA 1.208 53.260 52.037 0.026 0.000 0.615 45 A CB -0.293 18.715 19.000 0.013 0.000 0.830 45 A HN 0.365 nan 8.150 nan 0.000 0.443 46 K N -0.702 119.713 120.400 0.025 0.000 2.486 46 K HA 0.161 4.481 4.320 -0.000 0.000 0.194 46 K C -0.623 175.993 176.600 0.027 0.000 1.033 46 K CA 0.197 56.498 56.287 0.023 0.000 1.004 46 K CB 0.169 32.681 32.500 0.020 0.000 0.798 46 K HN 0.320 nan 8.250 nan 0.000 0.495 47 V N 1.558 121.492 119.914 0.034 0.000 2.735 47 V HA 0.147 4.267 4.120 -0.000 0.000 0.310 47 V C -1.686 174.431 176.094 0.038 0.000 1.061 47 V CA -1.416 60.905 62.300 0.036 0.000 0.913 47 V CB 1.800 33.646 31.823 0.038 0.000 1.005 47 V HN -0.020 nan 8.190 nan 0.000 0.428 48 P HA 0.075 nan 4.420 nan 0.000 0.210 48 P C 1.358 178.679 177.300 0.035 0.000 1.173 48 P CA 1.213 64.335 63.100 0.036 0.000 0.898 48 P CB 0.406 32.129 31.700 0.038 0.000 0.758 49 G N 0.261 109.080 108.800 0.033 0.000 2.776 49 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.209 49 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.209 49 G C 0.761 175.677 174.900 0.025 0.000 1.145 49 G CA -0.255 44.861 45.100 0.028 0.000 0.791 49 G HN 0.226 nan 8.290 nan 0.000 0.530 50 L N 2.828 124.068 121.223 0.029 0.000 2.454 50 L HA 0.261 4.601 4.340 -0.000 0.000 0.284 50 L C 0.082 176.969 176.870 0.028 0.000 1.139 50 L CA -0.433 54.421 54.840 0.023 0.000 0.911 50 L CB 0.480 42.559 42.059 0.033 0.000 1.262 50 L HN 0.131 nan 8.230 nan 0.000 0.453 51 S N 4.280 119.987 115.700 0.012 0.000 2.328 51 S HA 0.341 4.811 4.470 -0.000 0.000 0.204 51 S C -1.435 173.148 174.600 -0.029 0.000 1.475 51 S CA -1.194 57.013 58.200 0.011 0.000 1.148 51 S CB 0.830 64.043 63.200 0.021 0.000 1.077 51 S HN 0.492 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.216 52 P C 1.284 178.479 177.300 -0.176 0.000 1.154 52 P CA 1.332 64.311 63.100 -0.201 0.000 0.865 52 P CB 0.232 31.670 31.700 -0.437 0.000 0.789 53 E N -0.038 120.065 120.200 -0.160 0.000 2.097 53 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 53 E C 2.183 178.809 176.600 0.044 0.000 1.000 53 E CA 1.657 58.014 56.400 -0.071 0.000 0.804 53 E CB -0.807 28.875 29.700 -0.030 0.000 0.740 53 E HN 0.256 nan 8.360 nan 0.000 0.454 54 A N 0.808 123.650 122.820 0.037 0.000 1.854 54 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 54 A C 2.457 180.096 177.584 0.093 0.000 1.192 54 A CA 1.074 53.150 52.037 0.065 0.000 0.611 54 A CB -0.788 18.244 19.000 0.053 0.000 0.832 54 A HN 0.210 nan 8.150 nan 0.000 0.442 55 L N -1.419 119.843 121.223 0.066 0.000 2.079 55 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 55 L C 2.633 179.586 176.870 0.138 0.000 1.081 55 L CA 1.586 56.466 54.840 0.066 0.000 0.752 55 L CB -0.524 41.471 42.059 -0.106 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.316 122.578 121.300 -0.064 0.000 2.374 56 W HA -0.243 4.417 4.660 -0.000 0.000 0.288 56 W C 2.528 179.051 176.519 0.007 0.000 1.218 56 W CA 1.462 58.775 57.345 -0.054 0.000 1.245 56 W CB -0.002 29.374 29.460 -0.139 0.000 1.126 56 W HN 0.111 nan 8.180 nan 0.000 0.545 57 R N 1.000 121.543 120.500 0.072 0.000 2.127 57 R HA -0.056 4.284 4.340 -0.000 0.000 0.217 57 R C 2.144 178.436 176.300 -0.014 0.000 1.074 57 R CA 1.720 57.817 56.100 -0.004 0.000 0.991 57 R CB -0.824 29.521 30.300 0.076 0.000 0.895 57 R HN 0.147 nan 8.270 nan 0.000 0.450 58 E N 0.307 120.548 120.200 0.067 0.000 2.070 58 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 58 E C 0.026 176.639 176.600 0.022 0.000 1.004 58 E CA 1.255 57.711 56.400 0.094 0.000 0.805 58 E CB -0.217 29.628 29.700 0.241 0.000 0.744 58 E HN 0.333 nan 8.360 nan 0.000 0.451 59 A N 2.274 125.114 122.820 0.033 0.000 2.415 59 A HA 0.077 4.397 4.320 -0.000 0.000 0.309 59 A C -0.069 177.388 177.584 -0.211 0.000 1.356 59 A CA -0.364 51.624 52.037 -0.080 0.000 0.998 59 A CB -0.034 18.978 19.000 0.021 0.000 1.145 59 A HN 0.046 nan 8.150 nan 0.000 0.545 60 N N 2.653 121.257 118.700 -0.161 0.000 2.349 60 N HA -0.037 4.703 4.740 -0.000 0.000 0.296 60 N C 1.513 176.885 175.510 -0.230 0.000 1.304 60 N CA 0.452 53.400 53.050 -0.169 0.000 1.051 60 N CB 0.462 38.885 38.487 -0.106 0.000 1.466 60 N HN 0.613 nan 8.380 nan 0.000 0.487 61 V N 0.510 120.202 119.914 -0.370 0.000 3.026 61 V HA -0.128 3.992 4.120 -0.000 0.000 0.265 61 V C 1.756 177.729 176.094 -0.200 0.000 1.121 61 V CA 1.870 63.925 62.300 -0.409 0.000 1.142 61 V CB -1.044 30.309 31.823 -0.783 0.000 0.730 61 V HN 0.610 nan 8.190 nan 0.000 0.503 62 T N -2.994 111.474 114.554 -0.144 0.000 3.023 62 T HA 0.183 4.533 4.350 -0.000 0.000 0.253 62 T C 0.738 175.397 174.700 -0.070 0.000 1.038 62 T CA -0.035 62.021 62.100 -0.074 0.000 0.962 62 T CB -0.294 68.550 68.868 -0.039 0.000 1.018 62 T HN 0.563 nan 8.240 nan 0.000 0.521 63 E N 4.232 124.378 120.200 -0.091 0.000 2.877 63 E HA -0.077 4.273 4.350 -0.000 0.000 0.230 63 E C -0.059 176.497 176.600 -0.073 0.000 1.126 63 E CA -0.251 56.100 56.400 -0.081 0.000 0.946 63 E CB -0.044 29.596 29.700 -0.100 0.000 0.965 63 E HN 0.554 nan 8.360 nan 0.000 0.529 64 D N 4.654 125.021 120.400 -0.055 0.000 2.752 64 D HA -0.213 4.427 4.640 -0.000 0.000 0.225 64 D C 1.329 177.594 176.300 -0.058 0.000 1.104 64 D CA 0.080 54.051 54.000 -0.048 0.000 0.832 64 D CB 0.783 41.561 40.800 -0.036 0.000 1.161 64 D HN 0.555 nan 8.370 nan 0.000 0.505 65 L N 2.954 124.143 121.223 -0.057 0.000 2.125 65 L HA -0.421 3.919 4.340 -0.000 0.000 0.234 65 L C 2.552 179.382 176.870 -0.067 0.000 1.110 65 L CA 2.726 57.527 54.840 -0.065 0.000 0.832 65 L CB -0.683 41.344 42.059 -0.053 0.000 0.922 65 L HN 0.739 nan 8.230 nan 0.000 0.449 66 A N -0.463 122.325 122.820 -0.054 0.000 1.841 66 A HA -0.297 4.023 4.320 -0.000 0.000 0.216 66 A C 2.368 179.918 177.584 -0.056 0.000 1.199 66 A CA 2.767 54.774 52.037 -0.050 0.000 0.621 66 A CB -1.185 17.792 19.000 -0.038 0.000 0.835 66 A HN 0.685 nan 8.150 nan 0.000 0.445 67 S N -0.323 115.343 115.700 -0.057 0.000 2.423 67 S HA -0.303 4.167 4.470 -0.000 0.000 0.238 67 S C 2.006 176.553 174.600 -0.088 0.000 1.028 67 S CA 1.961 60.122 58.200 -0.065 0.000 1.000 67 S CB -0.802 62.362 63.200 -0.060 0.000 0.797 67 S HN 0.605 nan 8.310 nan 0.000 0.487 68 M N 0.966 120.507 119.600 -0.098 0.000 2.080 68 M HA -0.096 4.384 4.480 -0.000 0.000 0.260 68 M C 1.877 178.109 176.300 -0.113 0.000 1.068 68 M CA 1.636 56.859 55.300 -0.128 0.000 1.109 68 M CB -0.411 32.102 32.600 -0.146 0.000 1.342 68 M HN 0.320 nan 8.290 nan 0.000 0.405 69 L N 1.562 122.740 121.223 -0.075 0.000 1.956 69 L HA -0.278 4.062 4.340 -0.000 0.000 0.216 69 L C 2.163 179.045 176.870 0.019 0.000 1.073 69 L CA 2.761 57.601 54.840 -0.000 0.000 0.762 69 L CB -2.443 39.615 42.059 -0.002 0.000 0.889 69 L HN 0.554 nan 8.230 nan 0.000 0.433 70 N N 0.389 119.071 118.700 -0.029 0.000 2.417 70 N HA -0.253 4.487 4.740 -0.000 0.000 0.187 70 N C 1.716 177.182 175.510 -0.073 0.000 1.027 70 N CA 1.295 54.321 53.050 -0.041 0.000 0.891 70 N CB -0.579 37.881 38.487 -0.045 0.000 0.956 70 N HN 0.396 nan 8.380 nan 0.000 0.442 71 R N -0.989 119.441 120.500 -0.117 0.000 2.173 71 R HA -0.071 4.269 4.340 -0.000 0.000 0.208 71 R C 1.663 177.939 176.300 -0.040 0.000 1.035 71 R CA 0.491 56.455 56.100 -0.226 0.000 1.004 71 R CB -0.282 29.805 30.300 -0.356 0.000 0.917 71 R HN 0.481 nan 8.270 nan 0.000 0.462 72 Y N 1.535 121.747 120.300 -0.148 0.000 2.476 72 Y HA 0.118 4.668 4.550 -0.000 0.000 0.283 72 Y C 1.804 177.712 175.900 0.012 0.000 1.109 72 Y CA 0.949 58.963 58.100 -0.142 0.000 1.246 72 Y CB 0.193 38.325 38.460 -0.546 0.000 1.068 72 Y HN -0.014 nan 8.280 nan 0.000 0.552 73 K N 0.607 120.840 120.400 -0.279 0.000 2.366 73 K HA -0.059 4.261 4.320 -0.000 0.000 0.198 73 K C 1.722 178.326 176.600 0.007 0.000 1.044 73 K CA 1.296 57.427 56.287 -0.260 0.000 0.973 73 K CB -0.359 32.087 32.500 -0.090 0.000 0.767 73 K HN 0.504 nan 8.250 nan 0.000 0.475 74 L N 1.012 122.248 121.223 0.022 0.000 2.240 74 L HA 0.194 4.534 4.340 -0.000 0.000 0.211 74 L C 0.594 177.531 176.870 0.111 0.000 1.106 74 L CA 0.478 55.390 54.840 0.120 0.000 0.793 74 L CB 0.056 42.152 42.059 0.061 0.000 0.927 74 L HN 0.108 nan 8.230 nan 0.000 0.446 75 I N 0.215 120.786 120.570 0.002 0.000 2.556 75 I HA 0.009 4.179 4.170 -0.000 0.000 0.284 75 I C -0.296 175.515 176.117 -0.509 0.000 1.114 75 I CA -0.010 61.230 61.300 -0.100 0.000 1.418 75 I CB 0.429 38.463 38.000 0.056 0.000 1.394 75 I HN 0.146 nan 8.210 nan 0.000 0.552 76 Y N 7.694 127.508 120.300 -0.811 0.000 2.526 76 Y HA 0.218 4.768 4.550 -0.000 0.000 0.330 76 Y C -0.320 175.133 175.900 -0.746 0.000 1.156 76 Y CA -0.017 57.242 58.100 -1.401 0.000 1.419 76 Y CB 0.227 38.180 38.460 -0.846 0.000 1.250 76 Y HN 0.460 nan 8.280 nan 0.000 0.540 77 K N 5.404 125.038 120.400 -1.277 0.000 2.394 77 K HA 0.220 4.540 4.320 -0.000 0.000 0.260 77 K C -0.242 175.864 176.600 -0.823 0.000 0.967 77 K CA -0.733 55.155 56.287 -0.666 0.000 0.855 77 K CB 1.236 33.556 32.500 -0.301 0.000 1.101 77 K HN 0.832 nan 8.250 nan 0.000 0.433 78 T N -0.227 114.068 114.554 -0.432 0.000 2.854 78 T HA -0.033 4.317 4.350 -0.000 0.000 0.336 78 T C 0.832 175.433 174.700 -0.165 0.000 1.095 78 T CA -0.112 61.880 62.100 -0.179 0.000 1.118 78 T CB 0.608 69.486 68.868 0.017 0.000 1.025 78 T HN 0.372 nan 8.240 nan 0.000 0.549 79 S N 1.166 116.828 115.700 -0.064 0.000 2.646 79 S HA 0.500 4.970 4.470 -0.000 0.000 0.192 79 S C 1.328 175.923 174.600 -0.010 0.000 1.218 79 S CA -0.176 58.004 58.200 -0.033 0.000 1.545 79 S CB -0.711 62.496 63.200 0.011 0.000 0.737 79 S HN 1.173 nan 8.310 nan 0.000 0.467 80 G N 2.402 111.207 108.800 0.008 0.000 2.469 80 G HA2 0.289 4.249 3.960 -0.000 0.000 0.293 80 G HA3 0.289 4.249 3.960 -0.000 0.000 0.293 80 G C -0.329 174.578 174.900 0.012 0.000 0.982 80 G CA -0.133 44.973 45.100 0.011 0.000 1.401 80 G HN 0.392 nan 8.290 nan 0.000 0.453 81 T N 3.768 118.327 114.554 0.007 0.000 2.761 81 T HA 0.135 4.485 4.350 -0.000 0.000 0.262 81 T C 0.802 175.502 174.700 -0.000 0.000 0.968 81 T CA 0.098 62.198 62.100 0.001 0.000 1.235 81 T CB -0.460 68.411 68.868 0.006 0.000 0.925 81 T HN 0.526 nan 8.240 nan 0.000 0.545 82 L N 2.469 123.689 121.223 -0.005 0.000 2.371 82 L HA 0.799 5.139 4.340 -0.000 0.000 0.272 82 L C 0.472 177.340 176.870 -0.004 0.000 1.124 82 L CA -0.344 54.499 54.840 0.005 0.000 0.816 82 L CB 0.545 42.613 42.059 0.015 0.000 1.129 82 L HN 0.381 nan 8.230 nan 0.000 0.448 83 G N 3.871 112.686 108.800 0.024 0.000 2.432 83 G HA2 0.765 4.725 3.960 -0.000 0.000 0.331 83 G HA3 0.765 4.725 3.960 -0.000 0.000 0.331 83 G C -0.963 173.987 174.900 0.083 0.000 1.170 83 G CA -0.755 44.372 45.100 0.046 0.000 0.943 83 G HN 0.719 nan 8.290 nan 0.000 0.483 84 I N 0.414 121.066 120.570 0.136 0.000 2.722 84 I HA 0.440 4.610 4.170 -0.000 0.000 0.295 84 I C 0.176 176.392 176.117 0.165 0.000 1.161 84 I CA -1.127 60.267 61.300 0.157 0.000 1.032 84 I CB 2.476 40.604 38.000 0.212 0.000 1.244 84 I HN 0.588 nan 8.210 nan 0.000 0.421 85 A N 7.784 130.676 122.820 0.119 0.000 2.376 85 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 85 A C -0.650 176.995 177.584 0.102 0.000 1.271 85 A CA 0.100 52.199 52.037 0.103 0.000 0.926 85 A CB -0.249 18.795 19.000 0.073 0.000 1.141 85 A HN 0.603 nan 8.150 nan 0.000 0.539 86 L N 1.902 123.196 121.223 0.118 0.000 2.401 86 L HA 0.799 5.139 4.340 -0.000 0.000 0.266 86 L C 0.090 177.016 176.870 0.093 0.000 0.991 86 L CA -0.684 54.210 54.840 0.090 0.000 0.818 86 L CB 2.310 44.414 42.059 0.076 0.000 1.321 86 L HN 0.668 nan 8.230 nan 0.000 0.413 87 A N 1.554 124.413 122.820 0.064 0.000 2.356 87 A HA 0.521 4.841 4.320 -0.000 0.000 0.310 87 A C -0.672 176.949 177.584 0.061 0.000 1.075 87 A CA -0.533 51.545 52.037 0.069 0.000 0.746 87 A CB 1.258 20.287 19.000 0.049 0.000 1.221 87 A HN 0.762 nan 8.150 nan 0.000 0.443 88 E N 1.969 122.225 120.200 0.092 0.000 2.415 88 E HA 0.262 4.612 4.350 -0.000 0.000 0.263 88 E C -2.081 174.545 176.600 0.043 0.000 0.995 88 E CA -1.003 55.448 56.400 0.086 0.000 0.915 88 E CB 0.348 30.133 29.700 0.142 0.000 0.951 88 E HN 0.400 nan 8.360 nan 0.000 0.449 89 P HA 0.032 nan 4.420 nan 0.000 0.284 89 P C -1.025 176.282 177.300 0.012 0.000 1.253 89 P CA -0.487 62.627 63.100 0.023 0.000 0.800 89 P CB 0.908 32.626 31.700 0.030 0.000 0.961 90 V N 3.387 123.300 119.914 -0.001 0.000 2.421 90 V HA -0.004 4.116 4.120 -0.000 0.000 0.271 90 V C 0.368 176.425 176.094 -0.062 0.000 1.031 90 V CA 0.794 63.070 62.300 -0.040 0.000 1.032 90 V CB -0.256 31.544 31.823 -0.038 0.000 1.009 90 V HN 0.464 nan 8.190 nan 0.000 0.477 91 D N 5.031 125.338 120.400 -0.155 0.000 2.267 91 D HA 0.240 4.880 4.640 -0.000 0.000 0.258 91 D C 0.726 176.529 176.300 -0.829 0.000 1.207 91 D CA 0.594 54.393 54.000 -0.335 0.000 0.954 91 D CB 0.058 40.680 40.800 -0.297 0.000 0.975 91 D HN 0.593 nan 8.370 nan 0.000 0.371 92 I N 3.770 123.633 120.570 -1.179 0.000 2.668 92 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 92 I C -1.643 174.180 176.117 -0.490 0.000 1.168 92 I CA -0.980 59.632 61.300 -1.146 0.000 1.424 92 I CB 0.334 37.774 38.000 -0.933 0.000 1.377 92 I HN 0.103 nan 8.210 nan 0.000 0.560 93 P HA 0.305 nan 4.420 nan 0.000 0.276 93 P C -0.891 176.339 177.300 -0.116 0.000 1.261 93 P CA -0.581 62.436 63.100 -0.138 0.000 0.800 93 P CB 0.958 32.630 31.700 -0.046 0.000 1.066 94 A N 1.036 123.810 122.820 -0.078 0.000 2.316 94 A HA 0.245 4.565 4.320 -0.000 0.000 0.284 94 A C 0.287 177.847 177.584 -0.041 0.000 1.115 94 A CA -0.730 51.270 52.037 -0.062 0.000 0.812 94 A CB 0.220 19.189 19.000 -0.052 0.000 1.064 94 A HN 0.481 nan 8.150 nan 0.000 0.489 95 V N 3.391 123.284 119.914 -0.035 0.000 2.707 95 V HA -0.051 4.069 4.120 -0.000 0.000 0.291 95 V C 0.650 176.734 176.094 -0.018 0.000 1.002 95 V CA 0.915 63.202 62.300 -0.021 0.000 1.200 95 V CB -0.662 31.149 31.823 -0.019 0.000 0.854 95 V HN 0.797 nan 8.190 nan 0.000 0.462 96 S N 7.619 123.311 115.700 -0.014 0.000 2.465 96 S HA 0.134 4.604 4.470 -0.000 0.000 0.307 96 S C 0.679 175.271 174.600 -0.013 0.000 1.187 96 S CA 0.749 58.941 58.200 -0.014 0.000 1.141 96 S CB -0.239 62.952 63.200 -0.016 0.000 1.108 96 S HN 1.097 nan 8.310 nan 0.000 0.525 97 E N 2.525 122.717 120.200 -0.013 0.000 3.360 97 E HA -0.288 4.062 4.350 -0.000 0.000 0.397 97 E C 1.012 177.607 176.600 -0.009 0.000 1.549 97 E CA 1.549 57.942 56.400 -0.011 0.000 1.539 97 E CB -1.287 28.406 29.700 -0.011 0.000 1.621 97 E HN 0.724 nan 8.360 nan 0.000 0.465 98 G N 0.910 109.705 108.800 -0.008 0.000 3.474 98 G HA2 0.301 4.261 3.960 -0.000 0.000 0.269 98 G HA3 0.301 4.261 3.960 -0.000 0.000 0.269 98 G C -0.016 174.883 174.900 -0.002 0.000 1.339 98 G CA 0.573 45.670 45.100 -0.005 0.000 1.258 98 G HN 0.248 nan 8.290 nan 0.000 0.560 99 S N 0.605 116.303 115.700 -0.003 0.000 2.560 99 S HA 0.116 4.586 4.470 -0.000 0.000 0.276 99 S C 1.230 175.833 174.600 0.006 0.000 1.350 99 S CA -0.241 57.960 58.200 0.001 0.000 1.024 99 S CB 0.854 64.055 63.200 0.002 0.000 0.864 99 S HN 0.249 nan 8.310 nan 0.000 0.536 100 M N 1.255 120.862 119.600 0.011 0.000 1.945 100 M HA 0.232 4.711 4.480 -0.000 0.000 0.152 100 M C 0.088 176.395 176.300 0.012 0.000 0.973 100 M CA 0.916 56.225 55.300 0.015 0.000 1.245 100 M CB -0.500 32.114 32.600 0.022 0.000 0.863 100 M HN 0.723 nan 8.290 nan 0.000 0.617 101 Q N 0.128 119.936 119.800 0.013 0.000 2.942 101 Q HA 0.292 4.632 4.340 -0.000 0.000 0.207 101 Q C -2.011 173.988 176.000 -0.001 0.000 0.819 101 Q CA -0.222 55.584 55.803 0.004 0.000 1.231 101 Q CB 1.242 29.981 28.738 0.003 0.000 1.639 101 Q HN 0.397 nan 8.270 nan 0.000 0.591 102 V N 1.816 121.721 119.914 -0.015 0.000 2.547 102 V HA 0.427 4.547 4.120 -0.000 0.000 0.299 102 V C -0.148 175.907 176.094 -0.066 0.000 1.040 102 V CA -0.597 61.679 62.300 -0.040 0.000 0.913 102 V CB 1.768 33.565 31.823 -0.042 0.000 0.992 102 V HN 0.651 nan 8.190 nan 0.000 0.449 103 D N 2.993 123.333 120.400 -0.100 0.000 2.412 103 D HA 0.368 5.008 4.640 -0.000 0.000 0.224 103 D C 1.081 177.297 176.300 -0.140 0.000 1.093 103 D CA 0.080 54.015 54.000 -0.108 0.000 0.850 103 D CB 2.011 42.744 40.800 -0.112 0.000 1.046 103 D HN 0.636 nan 8.370 nan 0.000 0.507 104 A N 3.541 126.273 122.820 -0.146 0.000 1.985 104 A HA -0.274 4.046 4.320 -0.000 0.000 0.223 104 A C 2.132 179.558 177.584 -0.263 0.000 1.189 104 A CA 2.393 54.300 52.037 -0.217 0.000 0.658 104 A CB -0.365 18.501 19.000 -0.223 0.000 0.820 104 A HN 0.573 nan 8.150 nan 0.000 0.464 105 S N -0.916 114.676 115.700 -0.179 0.000 2.317 105 S HA -0.060 4.409 4.470 -0.000 0.000 0.212 105 S C 1.390 175.938 174.600 -0.086 0.000 1.030 105 S CA 1.274 59.405 58.200 -0.114 0.000 0.970 105 S CB -0.206 62.961 63.200 -0.055 0.000 0.928 105 S HN 0.513 nan 8.310 nan 0.000 0.451 106 K N 2.248 122.569 120.400 -0.132 0.000 2.751 106 K HA 0.248 4.568 4.320 -0.000 0.000 0.252 106 K C -0.868 175.535 176.600 -0.328 0.000 1.277 106 K CA -0.215 55.952 56.287 -0.201 0.000 1.226 106 K CB -0.118 32.238 32.500 -0.239 0.000 1.658 106 K HN 0.209 nan 8.250 nan 0.000 0.303 107 V N 4.781 124.585 119.914 -0.184 0.000 2.054 107 V HA -0.035 4.085 4.120 -0.000 0.000 0.243 107 V C 0.192 176.244 176.094 -0.070 0.000 1.480 107 V CA -0.512 61.702 62.300 -0.144 0.000 1.440 107 V CB -1.302 30.469 31.823 -0.087 0.000 1.489 107 V HN 0.552 nan 8.190 nan 0.000 0.502 108 H N 5.206 124.275 119.070 -0.002 0.000 3.146 108 H HA -0.089 4.467 4.556 -0.000 0.000 0.269 108 H C -1.028 174.302 175.328 0.002 0.000 0.847 108 H CA -0.139 55.910 56.048 0.001 0.000 1.422 108 H CB 0.201 29.962 29.762 -0.001 0.000 1.274 108 H HN 0.419 nan 8.280 nan 0.000 0.534 109 P HA -0.083 nan 4.420 nan 0.000 0.229 109 P C 0.691 178.025 177.300 0.056 0.000 1.150 109 P CA 0.961 64.103 63.100 0.070 0.000 0.765 109 P CB 0.342 32.075 31.700 0.054 0.000 0.783 110 G N 0.265 109.108 108.800 0.072 0.000 2.370 110 G HA2 0.410 4.369 3.960 -0.000 0.000 0.317 110 G HA3 0.410 4.369 3.960 -0.000 0.000 0.317 110 G C -0.214 174.714 174.900 0.046 0.000 1.162 110 G CA -0.360 44.763 45.100 0.038 0.000 0.922 110 G HN -0.113 nan 8.290 nan 0.000 0.454 111 V N 2.907 122.839 119.914 0.030 0.000 3.083 111 V HA 0.036 4.156 4.120 -0.000 0.000 0.303 111 V C 1.037 177.149 176.094 0.030 0.000 1.151 111 V CA 0.392 62.709 62.300 0.030 0.000 1.275 111 V CB 0.771 32.606 31.823 0.020 0.000 0.950 111 V HN 0.762 nan 8.190 nan 0.000 0.506 112 I N 0.283 120.874 120.570 0.034 0.000 2.772 112 I HA 0.513 4.683 4.170 -0.000 0.000 0.326 112 I C -0.291 175.845 176.117 0.030 0.000 1.461 112 I CA -0.112 61.207 61.300 0.032 0.000 0.815 112 I CB -0.327 37.702 38.000 0.049 0.000 1.942 112 I HN 0.699 nan 8.210 nan 0.000 0.579 113 S N -0.473 115.243 115.700 0.028 0.000 2.663 113 S HA 0.836 5.306 4.470 -0.000 0.000 0.264 113 S C -0.359 174.260 174.600 0.032 0.000 1.112 113 S CA -0.380 57.839 58.200 0.031 0.000 0.823 113 S CB 1.409 64.632 63.200 0.040 0.000 1.111 113 S HN 0.686 nan 8.310 nan 0.000 0.476 114 G N -0.442 108.380 108.800 0.037 0.000 2.569 114 G HA2 0.583 4.543 3.960 -0.000 0.000 0.300 114 G HA3 0.583 4.543 3.960 -0.000 0.000 0.300 114 G C 0.295 175.232 174.900 0.062 0.000 1.269 114 G CA -0.895 44.229 45.100 0.040 0.000 0.959 114 G HN 0.702 nan 8.290 nan 0.000 0.478 115 L N 0.624 121.888 121.223 0.070 0.000 2.129 115 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 115 L C 1.998 178.935 176.870 0.111 0.000 1.087 115 L CA 2.504 57.413 54.840 0.114 0.000 0.757 115 L CB -0.613 41.503 42.059 0.095 0.000 0.896 115 L HN 0.876 nan 8.230 nan 0.000 0.434 116 N N -2.205 116.523 118.700 0.048 0.000 2.282 116 N HA -0.065 4.675 4.740 -0.000 0.000 0.185 116 N C 0.839 176.341 175.510 -0.013 0.000 1.099 116 N CA -0.029 53.021 53.050 0.000 0.000 0.878 116 N CB 0.158 38.643 38.487 -0.002 0.000 0.993 116 N HN 0.101 nan 8.380 nan 0.000 0.481 117 S N 2.078 117.785 115.700 0.012 0.000 2.525 117 S HA 0.158 4.628 4.470 -0.000 0.000 0.285 117 S C -2.329 172.273 174.600 0.003 0.000 1.283 117 S CA -1.157 57.048 58.200 0.008 0.000 1.072 117 S CB 0.266 63.478 63.200 0.020 0.000 0.867 117 S HN 0.084 nan 8.310 nan 0.000 0.492 118 P HA 0.392 nan 4.420 nan 0.000 0.267 118 P C -1.182 176.124 177.300 0.010 0.000 1.205 118 P CA -0.059 63.034 63.100 -0.012 0.000 0.765 118 P CB 0.814 32.504 31.700 -0.015 0.000 0.828 119 A N 2.352 125.186 122.820 0.023 0.000 2.594 119 A HA 0.757 5.077 4.320 -0.000 0.000 0.295 119 A C -0.793 176.817 177.584 0.044 0.000 1.071 119 A CA -0.435 51.623 52.037 0.036 0.000 0.685 119 A CB 1.045 20.076 19.000 0.051 0.000 1.285 119 A HN 0.726 nan 8.150 nan 0.000 0.405 120 c N 0.008 118.627 118.600 0.032 0.000 3.173 120 c HA 0.898 5.468 4.570 -0.000 0.000 0.310 120 c C -0.685 173.415 174.090 0.015 0.000 1.306 120 c CA -0.823 55.526 56.329 0.033 0.000 1.426 120 c CB 0.600 43.122 42.510 0.021 0.000 1.800 120 c HN 0.946 nan 8.230 nan 0.000 0.470 121 M N 2.063 121.671 119.600 0.013 0.000 2.508 121 M HA 0.509 4.989 4.480 -0.000 0.000 0.327 121 M C -0.637 175.655 176.300 -0.013 0.000 1.160 121 M CA -0.558 54.734 55.300 -0.012 0.000 0.980 121 M CB 1.779 34.360 32.600 -0.030 0.000 1.693 121 M HN 0.657 nan 8.290 nan 0.000 0.452 122 L N 1.499 122.705 121.223 -0.027 0.000 2.410 122 L HA 0.129 4.469 4.340 -0.000 0.000 0.273 122 L C 1.152 178.009 176.870 -0.022 0.000 1.152 122 L CA -0.155 54.669 54.840 -0.026 0.000 0.855 122 L CB 0.884 42.923 42.059 -0.034 0.000 1.129 122 L HN 0.860 nan 8.230 nan 0.000 0.463 123 S N 2.162 117.853 115.700 -0.016 0.000 2.355 123 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 123 S C 2.083 176.676 174.600 -0.013 0.000 1.031 123 S CA 1.122 59.318 58.200 -0.007 0.000 0.993 123 S CB -0.173 63.016 63.200 -0.018 0.000 0.859 123 S HN 0.832 nan 8.310 nan 0.000 0.453 124 A N 2.846 125.652 122.820 -0.024 0.000 1.896 124 A HA -0.154 4.165 4.320 -0.000 0.000 0.220 124 A C 0.490 178.057 177.584 -0.028 0.000 1.206 124 A CA 2.103 54.123 52.037 -0.028 0.000 0.647 124 A CB -1.834 17.148 19.000 -0.029 0.000 0.828 124 A HN 0.537 nan 8.150 nan 0.000 0.455 125 P HA -0.036 nan 4.420 nan 0.000 0.216 125 P C 1.763 179.035 177.300 -0.047 0.000 1.156 125 P CA 0.976 64.047 63.100 -0.048 0.000 0.855 125 P CB -0.189 31.470 31.700 -0.068 0.000 0.786 126 L N 0.911 122.110 121.223 -0.040 0.000 2.013 126 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 126 L C 2.586 179.491 176.870 0.059 0.000 1.073 126 L CA 2.209 57.035 54.840 -0.023 0.000 0.753 126 L CB -1.469 40.589 42.059 -0.002 0.000 0.890 126 L HN -0.120 nan 8.230 nan 0.000 0.432 127 E N -0.096 120.155 120.200 0.084 0.000 2.051 127 E HA -0.282 4.068 4.350 -0.000 0.000 0.192 127 E C 2.293 178.996 176.600 0.172 0.000 0.991 127 E CA 1.703 58.202 56.400 0.165 0.000 0.799 127 E CB -0.297 29.438 29.700 0.058 0.000 0.748 127 E HN 0.456 nan 8.360 nan 0.000 0.449 128 K N -0.173 120.257 120.400 0.050 0.000 2.281 128 K HA -0.215 4.105 4.320 -0.000 0.000 0.203 128 K C 2.139 178.780 176.600 0.068 0.000 1.046 128 K CA 1.420 57.711 56.287 0.006 0.000 0.938 128 K CB -0.011 32.464 32.500 -0.041 0.000 0.737 128 K HN 0.182 nan 8.250 nan 0.000 0.458 129 Q N 0.017 119.852 119.800 0.059 0.000 2.165 129 Q HA 0.013 4.353 4.340 -0.000 0.000 0.197 129 Q C 2.008 178.059 176.000 0.085 0.000 0.952 129 Q CA 0.522 56.342 55.803 0.029 0.000 0.848 129 Q CB 0.176 28.845 28.738 -0.115 0.000 0.931 129 Q HN 0.288 nan 8.270 nan 0.000 0.470 130 L N -0.413 120.896 121.223 0.144 0.000 1.976 130 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 130 L C 0.695 177.585 176.870 0.032 0.000 1.071 130 L CA 0.892 55.807 54.840 0.125 0.000 0.746 130 L CB -0.231 41.967 42.059 0.232 0.000 0.890 130 L HN 0.181 nan 8.230 nan 0.000 0.432 131 F N -0.603 119.412 119.950 0.108 0.000 2.733 131 F HA 0.029 4.556 4.527 -0.000 0.000 0.344 131 F C 1.301 177.158 175.800 0.095 0.000 1.179 131 F CA -0.422 57.649 58.000 0.118 0.000 1.316 131 F CB -0.900 38.163 39.000 0.105 0.000 1.577 131 F HN 0.025 nan 8.300 nan 0.000 0.591 132 Y N 0.192 120.499 120.300 0.011 0.000 2.263 132 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 132 Y C 0.427 176.312 175.900 -0.025 0.000 1.130 132 Y CA 0.449 58.491 58.100 -0.096 0.000 1.179 132 Y CB -0.480 37.787 38.460 -0.322 0.000 0.998 132 Y HN 0.132 nan 8.280 nan 0.000 0.532 133 Y N 1.330 121.605 120.300 -0.041 0.000 2.336 133 Y HA 0.322 4.872 4.550 -0.000 0.000 0.331 133 Y C 0.107 175.969 175.900 -0.063 0.000 1.211 133 Y CA -0.498 57.505 58.100 -0.163 0.000 1.346 133 Y CB 0.509 38.905 38.460 -0.106 0.000 1.271 133 Y HN -0.193 nan 8.280 nan 0.000 0.538 134 I N 1.172 121.755 120.570 0.022 0.000 2.648 134 I HA 0.741 4.911 4.170 -0.000 0.000 0.304 134 I C 0.544 176.653 176.117 -0.013 0.000 1.009 134 I CA -0.332 60.913 61.300 -0.092 0.000 1.114 134 I CB 2.014 39.876 38.000 -0.229 0.000 1.293 134 I HN 0.816 nan 8.210 nan 0.000 0.449 135 G N 2.173 110.964 108.800 -0.015 0.000 2.696 135 G HA2 0.492 4.452 3.960 -0.000 0.000 0.151 135 G HA3 0.492 4.452 3.960 -0.000 0.000 0.151 135 G C -1.392 173.521 174.900 0.022 0.000 1.197 135 G CA -0.267 44.848 45.100 0.025 0.000 1.053 135 G HN 0.423 nan 8.290 nan 0.000 0.546 136 T N 1.708 116.286 114.554 0.039 0.000 3.089 136 T HA 0.275 4.625 4.350 -0.000 0.000 0.340 136 T C 1.012 175.737 174.700 0.042 0.000 1.008 136 T CA -0.569 61.555 62.100 0.040 0.000 1.096 136 T CB 1.338 70.229 68.868 0.038 0.000 1.024 136 T HN 0.258 nan 8.240 nan 0.000 0.477 137 M N 1.674 121.298 119.600 0.039 0.000 2.202 137 M HA 0.102 4.582 4.480 -0.000 0.000 0.262 137 M C 0.508 176.832 176.300 0.041 0.000 1.063 137 M CA 1.334 56.647 55.300 0.020 0.000 1.097 137 M CB -0.751 31.879 32.600 0.050 0.000 1.382 137 M HN 0.509 nan 8.290 nan 0.000 0.413 138 L N 1.351 122.616 121.223 0.069 0.000 2.324 138 L HA 0.336 4.676 4.340 -0.000 0.000 0.274 138 L C -1.966 174.991 176.870 0.145 0.000 1.012 138 L CA -1.848 53.060 54.840 0.112 0.000 0.859 138 L CB 0.946 43.071 42.059 0.111 0.000 1.224 138 L HN -0.037 nan 8.230 nan 0.000 0.429 139 P HA 0.022 nan 4.420 nan 0.000 0.288 139 P C -0.364 176.973 177.300 0.063 0.000 1.291 139 P CA -0.241 62.910 63.100 0.085 0.000 0.766 139 P CB 1.032 32.753 31.700 0.035 0.000 1.242 140 N N -1.598 117.101 118.700 -0.002 0.000 2.273 140 N HA 0.054 4.794 4.740 -0.000 0.000 0.231 140 N C -0.246 175.214 175.510 -0.084 0.000 1.134 140 N CA -0.115 52.920 53.050 -0.023 0.000 0.856 140 N CB -0.533 37.943 38.487 -0.018 0.000 1.068 140 N HN 0.399 nan 8.380 nan 0.000 0.510 141 T N -2.376 112.100 114.554 -0.130 0.000 2.918 141 T HA 0.172 4.522 4.350 -0.000 0.000 0.302 141 T C 1.527 176.077 174.700 -0.251 0.000 1.045 141 T CA -0.365 61.612 62.100 -0.204 0.000 1.114 141 T CB 1.172 69.852 68.868 -0.313 0.000 0.965 141 T HN 0.118 nan 8.240 nan 0.000 0.540 142 R N 2.136 122.477 120.500 -0.266 0.000 2.112 142 R HA -0.097 4.243 4.340 -0.000 0.000 0.242 142 R C -0.397 175.540 176.300 -0.606 0.000 1.137 142 R CA 2.104 57.933 56.100 -0.452 0.000 0.944 142 R CB -1.825 28.314 30.300 -0.268 0.000 0.857 142 R HN 0.673 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.820 178.119 177.300 -0.001 0.000 1.178 143 P CA 1.786 64.846 63.100 -0.067 0.000 0.915 143 P CB -0.397 31.317 31.700 0.023 0.000 0.788 144 H N -0.316 118.700 119.070 -0.089 0.000 2.321 144 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 144 H C 2.362 177.652 175.328 -0.063 0.000 1.087 144 H CA 0.984 57.019 56.048 -0.021 0.000 1.319 144 H CB -0.444 29.377 29.762 0.099 0.000 1.379 144 H HN 0.139 nan 8.280 nan 0.000 0.501 145 S N 0.388 116.091 115.700 0.006 0.000 2.462 145 S HA -0.176 4.294 4.470 -0.000 0.000 0.243 145 S C 1.318 175.941 174.600 0.037 0.000 1.003 145 S CA 1.063 59.244 58.200 -0.032 0.000 0.970 145 S CB -0.254 62.869 63.200 -0.129 0.000 0.762 145 S HN 0.395 nan 8.310 nan 0.000 0.510 146 Y N -0.083 120.202 120.300 -0.025 0.000 2.448 146 Y HA 0.177 4.727 4.550 -0.000 0.000 0.289 146 Y C 2.142 177.983 175.900 -0.097 0.000 1.114 146 Y CA -0.532 57.558 58.100 -0.016 0.000 1.235 146 Y CB -0.517 37.965 38.460 0.037 0.000 1.045 146 Y HN 0.094 nan 8.280 nan 0.000 0.554 147 V N -1.901 117.862 119.914 -0.251 0.000 2.599 147 V HA 0.030 4.150 4.120 -0.000 0.000 0.237 147 V C 0.366 176.077 176.094 -0.638 0.000 1.081 147 V CA 0.363 62.167 62.300 -0.826 0.000 1.107 147 V CB -0.335 30.633 31.823 -1.425 0.000 0.808 147 V HN -0.152 nan 8.190 nan 0.000 0.486 148 F N -1.261 118.568 119.950 -0.202 0.000 2.370 148 F HA 0.488 5.015 4.527 -0.000 0.000 0.319 148 F C -0.206 175.533 175.800 -0.102 0.000 1.129 148 F CA -1.151 56.772 58.000 -0.129 0.000 1.109 148 F CB 0.080 39.034 39.000 -0.076 0.000 1.262 148 F HN -0.032 nan 8.300 nan 0.000 0.534 149 Y N 1.315 121.752 120.300 0.227 0.000 2.341 149 Y HA 0.178 4.728 4.550 -0.000 0.000 0.340 149 Y C 0.231 176.204 175.900 0.121 0.000 0.997 149 Y CA -0.731 57.449 58.100 0.133 0.000 1.149 149 Y CB 0.471 38.989 38.460 0.097 0.000 1.171 149 Y HN 0.355 nan 8.280 nan 0.000 0.494 150 Q N 3.454 123.409 119.800 0.258 0.000 2.859 150 Q HA -0.112 4.228 4.340 -0.000 0.000 0.364 150 Q C -0.812 175.282 176.000 0.157 0.000 1.067 150 Q CA 0.684 56.592 55.803 0.175 0.000 1.162 150 Q CB 0.332 29.152 28.738 0.136 0.000 1.023 150 Q HN 0.554 nan 8.270 nan 0.000 0.415 151 L N 3.267 124.567 121.223 0.128 0.000 2.354 151 L HA 0.583 4.923 4.340 -0.000 0.000 0.269 151 L C -0.780 176.136 176.870 0.078 0.000 1.005 151 L CA -0.401 54.504 54.840 0.108 0.000 0.819 151 L CB 1.881 44.017 42.059 0.127 0.000 1.311 151 L HN 0.617 nan 8.230 nan 0.000 0.423 152 R N 4.416 124.951 120.500 0.058 0.000 2.531 152 R HA 0.684 5.024 4.340 -0.000 0.000 0.293 152 R C -1.937 174.364 176.300 0.002 0.000 1.124 152 R CA -0.347 55.768 56.100 0.024 0.000 0.945 152 R CB 0.812 31.118 30.300 0.009 0.000 1.195 152 R HN 0.936 nan 8.270 nan 0.000 0.433 153 C N 0.327 119.622 119.300 -0.008 0.000 3.318 153 C HA 0.550 5.010 4.460 -0.000 0.000 0.322 153 C C -0.190 174.781 174.990 -0.032 0.000 1.398 153 C CA -1.238 57.767 59.018 -0.022 0.000 1.339 153 C CB 1.397 29.173 27.740 0.060 0.000 1.668 153 C HN 0.761 nan 8.230 nan 0.000 0.462 154 H N 1.211 120.321 119.070 0.067 0.000 3.001 154 H HA 0.432 4.988 4.556 -0.000 0.000 0.334 154 H C -0.084 175.387 175.328 0.238 0.000 1.034 154 H CA 1.038 57.161 56.048 0.126 0.000 1.420 154 H CB 0.582 30.425 29.762 0.135 0.000 1.405 154 H HN 0.619 nan 8.280 nan 0.000 0.593 155 L N 0.102 121.545 121.223 0.365 0.000 2.598 155 L HA 0.694 5.034 4.340 -0.000 0.000 0.246 155 L C -0.511 176.428 176.870 0.115 0.000 1.124 155 L CA -1.069 53.982 54.840 0.351 0.000 1.019 155 L CB 0.815 42.961 42.059 0.145 0.000 1.583 155 L HN 0.606 nan 8.230 nan 0.000 0.386 156 S N -1.267 114.408 115.700 -0.042 0.000 2.556 156 S HA 0.782 5.252 4.470 -0.000 0.000 0.280 156 S C -1.541 172.943 174.600 -0.193 0.000 1.141 156 S CA -0.613 57.436 58.200 -0.251 0.000 0.883 156 S CB 0.946 63.941 63.200 -0.341 0.000 1.103 156 S HN 1.505 nan 8.310 nan 0.000 0.453 157 Y N -0.671 119.535 120.300 -0.157 0.000 2.665 157 Y HA 0.903 5.453 4.550 -0.000 0.000 0.336 157 Y C -1.244 174.500 175.900 -0.259 0.000 1.085 157 Y CA -1.985 55.994 58.100 -0.201 0.000 1.096 157 Y CB 0.680 39.023 38.460 -0.196 0.000 1.301 157 Y HN 0.566 nan 8.280 nan 0.000 0.493 158 V N 1.554 121.490 119.914 0.036 0.000 2.357 158 V HA 0.759 4.879 4.120 -0.000 0.000 0.281 158 V C 0.121 176.138 176.094 -0.128 0.000 1.015 158 V CA -0.871 61.373 62.300 -0.095 0.000 0.827 158 V CB 0.231 31.944 31.823 -0.183 0.000 1.018 158 V HN 1.110 nan 8.190 nan 0.000 0.432 159 A N 4.881 127.660 122.820 -0.069 0.000 2.371 159 A HA 0.824 5.144 4.320 -0.000 0.000 0.257 159 A C -0.759 176.789 177.584 -0.060 0.000 1.089 159 A CA -0.112 51.834 52.037 -0.151 0.000 0.794 159 A CB 0.916 19.827 19.000 -0.148 0.000 1.029 159 A HN 0.831 nan 8.150 nan 0.000 0.488 160 L N 1.201 122.389 121.223 -0.058 0.000 2.472 160 L HA 0.712 5.052 4.340 -0.000 0.000 0.260 160 L C -0.468 176.405 176.870 0.005 0.000 0.963 160 L CA 0.217 55.076 54.840 0.032 0.000 0.829 160 L CB 2.291 44.434 42.059 0.139 0.000 1.348 160 L HN 0.676 nan 8.230 nan 0.000 0.408 161 S N 4.734 120.454 115.700 0.034 0.000 2.706 161 S HA 0.820 5.290 4.470 -0.000 0.000 0.270 161 S C -1.254 173.385 174.600 0.064 0.000 1.163 161 S CA -0.555 57.664 58.200 0.032 0.000 1.042 161 S CB 0.376 63.578 63.200 0.004 0.000 1.079 161 S HN 0.425 nan 8.310 nan 0.000 0.474 162 I N 3.128 123.764 120.570 0.110 0.000 3.067 162 I HA 0.549 4.719 4.170 -0.000 0.000 0.312 162 I C 0.751 176.911 176.117 0.072 0.000 1.073 162 I CA -0.896 60.452 61.300 0.079 0.000 1.016 162 I CB 1.101 39.125 38.000 0.039 0.000 1.227 162 I HN 0.767 nan 8.210 nan 0.000 0.456 163 N N 2.028 120.739 118.700 0.018 0.000 2.678 163 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 163 N C 0.595 176.113 175.510 0.012 0.000 1.119 163 N CA 1.405 54.455 53.050 -0.000 0.000 0.718 163 N CB -1.157 37.318 38.487 -0.020 0.000 1.060 163 N HN 1.139 nan 8.380 nan 0.000 0.552 164 G N 0.372 109.183 108.800 0.018 0.000 2.415 164 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.283 164 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.283 164 G C 0.137 175.042 174.900 0.009 0.000 1.014 164 G CA 0.187 45.294 45.100 0.011 0.000 1.323 164 G HN 0.528 nan 8.290 nan 0.000 0.502 165 D N -1.387 119.020 120.400 0.012 0.000 3.070 165 D HA -0.185 4.455 4.640 -0.000 0.000 0.220 165 D C 1.616 177.919 176.300 0.005 0.000 1.176 165 D CA 1.806 55.804 54.000 -0.003 0.000 0.924 165 D CB -0.342 40.448 40.800 -0.018 0.000 1.124 165 D HN 0.748 nan 8.370 nan 0.000 0.411 166 K N -0.860 119.561 120.400 0.034 0.000 2.400 166 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 166 K C 0.523 177.196 176.600 0.121 0.000 1.033 166 K CA 0.291 56.605 56.287 0.045 0.000 1.021 166 K CB 0.573 33.090 32.500 0.027 0.000 0.808 166 K HN 0.166 nan 8.250 nan 0.000 0.505 167 F N 1.584 121.507 119.950 -0.044 0.000 2.615 167 F HA 0.169 4.696 4.527 -0.000 0.000 0.312 167 F C -1.951 173.847 175.800 -0.003 0.000 1.119 167 F CA -0.682 57.301 58.000 -0.027 0.000 0.979 167 F CB 1.530 40.486 39.000 -0.072 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.970 124.364 119.800 -0.677 0.000 2.391 168 Q HA 0.437 4.777 4.340 -0.000 0.000 0.279 168 Q C -2.329 173.446 176.000 -0.374 0.000 1.028 168 Q CA -1.054 54.522 55.803 -0.378 0.000 0.836 168 Q CB 3.088 31.707 28.738 -0.199 0.000 1.414 168 Q HN 0.705 nan 8.270 nan 0.000 0.397 169 Y N 0.443 120.584 120.300 -0.264 0.000 2.499 169 Y HA 0.678 5.228 4.550 -0.000 0.000 0.347 169 Y C -1.496 174.319 175.900 -0.142 0.000 0.987 169 Y CA -0.580 57.427 58.100 -0.155 0.000 1.044 169 Y CB 2.782 41.264 38.460 0.036 0.000 1.245 169 Y HN 0.756 nan 8.280 nan 0.000 0.461 170 T N 3.854 117.855 114.554 -0.921 0.000 2.890 170 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 170 T C -0.153 173.980 174.700 -0.945 0.000 0.993 170 T CA -0.424 61.205 62.100 -0.785 0.000 0.979 170 T CB 1.090 69.692 68.868 -0.443 0.000 0.967 170 T HN 0.946 nan 8.240 nan 0.000 0.441 171 G N 2.208 110.579 108.800 -0.715 0.000 3.506 171 G HA2 0.508 4.468 3.960 -0.000 0.000 0.268 171 G HA3 0.508 4.468 3.960 -0.000 0.000 0.268 171 G C 0.396 175.215 174.900 -0.135 0.000 0.959 171 G CA -0.575 44.304 45.100 -0.367 0.000 1.823 171 G HN 0.977 nan 8.290 nan 0.000 0.615 172 A N 2.934 125.680 122.820 -0.123 0.000 2.454 172 A HA 0.674 4.994 4.320 -0.000 0.000 0.260 172 A C 0.349 177.875 177.584 -0.097 0.000 1.106 172 A CA -0.108 51.898 52.037 -0.051 0.000 0.780 172 A CB -0.021 18.943 19.000 -0.059 0.000 1.044 172 A HN 0.963 nan 8.150 nan 0.000 0.498 173 M N 1.837 121.397 119.600 -0.067 0.000 2.470 173 M HA 0.692 5.172 4.480 -0.000 0.000 0.285 173 M C -0.696 175.652 176.300 0.080 0.000 1.213 173 M CA -0.431 54.815 55.300 -0.091 0.000 0.901 173 M CB 1.943 34.588 32.600 0.074 0.000 1.718 173 M HN 0.487 nan 8.290 nan 0.000 0.469 174 T N -0.436 114.104 114.554 -0.023 0.000 2.883 174 T HA 0.480 4.830 4.350 -0.000 0.000 0.284 174 T C 0.971 175.784 174.700 0.188 0.000 1.041 174 T CA 0.104 62.286 62.100 0.138 0.000 1.007 174 T CB 1.483 70.231 68.868 -0.198 0.000 1.220 174 T HN 0.932 nan 8.240 nan 0.000 0.552 175 S N 0.258 115.749 115.700 -0.347 0.000 2.547 175 S HA 0.070 4.540 4.470 -0.000 0.000 0.235 175 S C 1.255 175.949 174.600 0.157 0.000 0.980 175 S CA 0.704 58.684 58.200 -0.366 0.000 0.941 175 S CB -0.280 62.529 63.200 -0.651 0.000 0.763 175 S HN 0.682 nan 8.310 nan 0.000 0.532 176 K N -0.285 120.284 120.400 0.282 0.000 2.462 176 K HA 0.322 4.642 4.320 -0.000 0.000 0.201 176 K C -0.199 176.754 176.600 0.588 0.000 1.268 176 K CA 0.187 56.753 56.287 0.466 0.000 0.933 176 K CB 0.799 33.502 32.500 0.338 0.000 1.162 176 K HN 0.584 nan 8.250 nan 0.000 0.527 177 F N -0.377 119.684 119.950 0.185 0.000 2.654 177 F HA 0.549 5.076 4.527 -0.000 0.000 0.308 177 F C -1.573 173.897 175.800 -0.549 0.000 1.108 177 F CA -1.688 56.170 58.000 -0.237 0.000 0.957 177 F CB 0.919 39.825 39.000 -0.156 0.000 1.309 177 F HN -0.296 nan 8.300 nan 0.000 0.446 178 L N 4.158 124.901 121.223 -0.800 0.000 2.331 178 L HA 0.751 5.091 4.340 -0.000 0.000 0.275 178 L C -1.105 175.761 176.870 -0.007 0.000 1.022 178 L CA -0.714 53.806 54.840 -0.533 0.000 0.812 178 L CB 1.861 43.559 42.059 -0.602 0.000 1.257 178 L HN 0.924 nan 8.230 nan 0.000 0.435 179 M N 4.529 124.139 119.600 0.018 0.000 2.167 179 M HA 0.381 4.861 4.480 -0.000 0.000 0.218 179 M C -0.722 175.616 176.300 0.062 0.000 0.968 179 M CA -0.239 55.124 55.300 0.106 0.000 1.004 179 M CB 0.623 33.281 32.600 0.096 0.000 2.485 179 M HN 0.836 nan 8.290 nan 0.000 0.404 180 G N 2.164 111.068 108.800 0.173 0.000 2.444 180 G HA2 0.587 4.547 3.960 -0.000 0.000 0.268 180 G HA3 0.587 4.547 3.960 -0.000 0.000 0.268 180 G C -0.272 174.605 174.900 -0.039 0.000 1.203 180 G CA -0.102 45.066 45.100 0.113 0.000 0.835 180 G HN 0.629 nan 8.290 nan 0.000 0.543 181 T N -1.118 113.362 114.554 -0.124 0.000 2.861 181 T HA 0.584 4.934 4.350 -0.000 0.000 0.287 181 T C -1.113 173.495 174.700 -0.152 0.000 1.003 181 T CA -0.763 61.252 62.100 -0.142 0.000 0.977 181 T CB 1.380 70.243 68.868 -0.009 0.000 0.996 181 T HN 0.324 nan 8.240 nan 0.000 0.448 182 Y N 1.321 121.598 120.300 -0.039 0.000 2.352 182 Y HA 0.697 5.247 4.550 -0.000 0.000 0.326 182 Y C 0.568 176.449 175.900 -0.032 0.000 1.166 182 Y CA -1.245 56.785 58.100 -0.116 0.000 1.182 182 Y CB 1.720 39.993 38.460 -0.312 0.000 1.216 182 Y HN 0.747 nan 8.280 nan 0.000 0.474 183 K N 3.614 124.018 120.400 0.007 0.000 2.652 183 K HA 0.412 4.732 4.320 -0.000 0.000 0.249 183 K C -1.205 175.339 176.600 -0.093 0.000 0.986 183 K CA -0.664 55.618 56.287 -0.009 0.000 0.867 183 K CB 1.341 33.770 32.500 -0.119 0.000 1.201 183 K HN 0.779 nan 8.250 nan 0.000 0.450 184 R N 2.767 123.327 120.500 0.099 0.000 2.873 184 R HA 0.678 5.018 4.340 -0.000 0.000 0.264 184 R C -1.426 174.909 176.300 0.059 0.000 1.026 184 R CA -0.702 55.482 56.100 0.140 0.000 1.002 184 R CB 1.924 32.318 30.300 0.155 0.000 1.174 184 R HN 0.334 nan 8.270 nan 0.000 0.488 185 V N 1.873 121.819 119.914 0.054 0.000 2.612 185 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 185 V C -0.069 176.036 176.094 0.019 0.000 1.059 185 V CA -0.843 61.465 62.300 0.013 0.000 0.886 185 V CB 1.855 33.673 31.823 -0.008 0.000 1.007 185 V HN 0.912 nan 8.190 nan 0.000 0.426 186 T N 2.472 117.043 114.554 0.028 0.000 2.698 186 T HA 0.109 4.459 4.350 -0.000 0.000 0.295 186 T C 1.324 176.026 174.700 0.003 0.000 1.007 186 T CA -0.492 61.625 62.100 0.029 0.000 0.980 186 T CB 0.642 69.545 68.868 0.058 0.000 1.036 186 T HN 0.732 nan 8.240 nan 0.000 0.526 187 E N 0.291 120.492 120.200 0.001 0.000 2.171 187 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 187 E C 0.857 177.453 176.600 -0.007 0.000 0.997 187 E CA 1.234 57.630 56.400 -0.006 0.000 0.810 187 E CB -0.111 29.586 29.700 -0.005 0.000 0.738 187 E HN 0.492 nan 8.360 nan 0.000 0.467 188 K N -0.426 119.971 120.400 -0.005 0.000 2.179 188 K HA 0.317 4.637 4.320 -0.000 0.000 0.238 188 K C 1.170 177.757 176.600 -0.021 0.000 1.033 188 K CA 0.243 56.523 56.287 -0.010 0.000 0.926 188 K CB 0.786 33.283 32.500 -0.006 0.000 1.151 188 K HN 0.016 nan 8.250 nan 0.000 0.492 189 G N 1.032 109.817 108.800 -0.025 0.000 3.028 189 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.205 189 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.205 189 G C -0.343 174.523 174.900 -0.057 0.000 1.182 189 G CA 0.090 45.169 45.100 -0.035 0.000 0.860 189 G HN 0.539 nan 8.290 nan 0.000 0.507 190 D N 0.622 120.981 120.400 -0.068 0.000 2.450 190 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 190 D C 0.140 176.323 176.300 -0.194 0.000 1.162 190 D CA 0.530 54.444 54.000 -0.143 0.000 0.879 190 D CB 0.988 41.710 40.800 -0.131 0.000 1.163 190 D HN 0.364 nan 8.370 nan 0.000 0.472 191 E N 2.545 122.604 120.200 -0.236 0.000 2.141 191 E HA 0.134 4.484 4.350 -0.000 0.000 0.259 191 E C -0.867 175.587 176.600 -0.242 0.000 0.883 191 E CA -0.729 55.560 56.400 -0.185 0.000 0.744 191 E CB 0.474 30.108 29.700 -0.110 0.000 1.150 191 E HN 0.400 nan 8.360 nan 0.000 0.420 192 H N 2.656 121.704 119.070 -0.037 0.000 2.467 192 H HA 0.378 4.934 4.556 -0.000 0.000 0.326 192 H C -0.300 174.953 175.328 -0.126 0.000 1.094 192 H CA -0.541 55.420 56.048 -0.146 0.000 1.253 192 H CB 1.505 31.240 29.762 -0.045 0.000 1.439 192 H HN 0.335 nan 8.280 nan 0.000 0.479 193 V N 2.099 121.825 119.914 -0.314 0.000 2.841 193 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 193 V C -1.005 175.114 176.094 0.041 0.000 1.090 193 V CA -0.993 61.302 62.300 -0.008 0.000 0.930 193 V CB 2.181 33.892 31.823 -0.186 0.000 1.014 193 V HN 0.460 nan 8.190 nan 0.000 0.425 194 L N 3.460 124.656 121.223 -0.044 0.000 2.526 194 L HA 0.958 5.298 4.340 -0.000 0.000 0.263 194 L C -0.419 176.374 176.870 -0.128 0.000 0.943 194 L CA 0.107 54.861 54.840 -0.143 0.000 0.859 194 L CB 2.175 43.939 42.059 -0.491 0.000 1.313 194 L HN 1.184 nan 8.230 nan 0.000 0.406 195 S N 4.233 119.915 115.700 -0.030 0.000 2.599 195 S HA 0.889 5.359 4.470 -0.000 0.000 0.294 195 S C -0.908 173.639 174.600 -0.088 0.000 1.094 195 S CA -0.909 57.247 58.200 -0.074 0.000 0.931 195 S CB 1.755 64.993 63.200 0.064 0.000 1.093 195 S HN 0.713 nan 8.310 nan 0.000 0.488 196 L N 1.535 122.651 121.223 -0.178 0.000 2.346 196 L HA 0.703 5.043 4.340 -0.000 0.000 0.276 196 L C -1.239 175.631 176.870 0.001 0.000 1.006 196 L CA -1.090 53.633 54.840 -0.196 0.000 0.817 196 L CB 2.074 43.727 42.059 -0.676 0.000 1.272 196 L HN 0.541 nan 8.230 nan 0.000 0.421 197 V N 2.577 122.564 119.914 0.120 0.000 2.444 197 V HA 0.431 4.551 4.120 -0.000 0.000 0.294 197 V C -0.756 175.541 176.094 0.339 0.000 1.022 197 V CA -0.551 61.877 62.300 0.213 0.000 0.850 197 V CB 1.655 33.556 31.823 0.132 0.000 0.992 197 V HN 0.461 nan 8.190 nan 0.000 0.426 198 F N 3.172 123.263 119.950 0.235 0.000 2.522 198 F HA 0.982 5.509 4.527 -0.000 0.000 0.324 198 F C 0.375 176.274 175.800 0.165 0.000 1.077 198 F CA 0.310 58.469 58.000 0.266 0.000 0.944 198 F CB 2.101 41.311 39.000 0.349 0.000 1.175 198 F HN 0.860 nan 8.300 nan 0.000 0.468 199 G N 3.542 111.905 108.800 -0.729 0.000 2.361 199 G HA2 0.120 4.080 3.960 -0.000 0.000 0.305 199 G HA3 0.120 4.080 3.960 -0.000 0.000 0.305 199 G C -1.883 172.919 174.900 -0.164 0.000 1.367 199 G CA -1.329 43.556 45.100 -0.357 0.000 0.951 199 G HN 0.658 nan 8.290 nan 0.000 0.615 200 K N 0.867 121.155 120.400 -0.186 0.000 2.447 200 K HA 0.230 4.550 4.320 -0.000 0.000 0.281 200 K C 1.621 178.073 176.600 -0.247 0.000 1.031 200 K CA 0.545 56.581 56.287 -0.418 0.000 1.019 200 K CB 0.629 32.919 32.500 -0.349 0.000 0.918 200 K HN 0.522 nan 8.250 nan 0.000 0.476 201 T N 2.775 117.190 114.554 -0.231 0.000 2.751 201 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 201 T C 1.619 176.197 174.700 -0.203 0.000 1.045 201 T CA 2.044 64.020 62.100 -0.206 0.000 1.142 201 T CB -0.172 68.615 68.868 -0.136 0.000 0.851 201 T HN 0.651 nan 8.240 nan 0.000 0.474 202 K N 1.126 121.431 120.400 -0.159 0.000 2.365 202 K HA -0.009 4.311 4.320 -0.000 0.000 0.199 202 K C 1.265 177.807 176.600 -0.097 0.000 1.045 202 K CA 1.323 57.545 56.287 -0.109 0.000 0.962 202 K CB 0.153 32.602 32.500 -0.084 0.000 0.759 202 K HN 0.165 nan 8.250 nan 0.000 0.469 203 D N 0.423 120.755 120.400 -0.113 0.000 2.349 203 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 203 D C -0.163 176.003 176.300 -0.224 0.000 1.063 203 D CA -0.096 53.858 54.000 -0.076 0.000 0.847 203 D CB 0.150 40.979 40.800 0.049 0.000 0.933 203 D HN 0.077 nan 8.370 nan 0.000 0.513 204 L N 2.150 123.168 121.223 -0.341 0.000 2.543 204 L HA 0.065 4.405 4.340 -0.000 0.000 0.285 204 L C -1.666 175.001 176.870 -0.339 0.000 1.236 204 L CA -0.568 53.953 54.840 -0.530 0.000 0.871 204 L CB -0.585 40.972 42.059 -0.837 0.000 1.121 204 L HN -0.171 nan 8.230 nan 0.000 0.501 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.111 176.288 177.300 0.164 0.000 1.239 205 P CA -0.071 62.893 63.100 -0.226 0.000 0.807 205 P CB 0.350 31.759 31.700 -0.486 0.000 0.951 206 D N 0.544 121.064 120.400 0.200 0.000 2.249 206 D HA 0.196 4.836 4.640 -0.000 0.000 0.246 206 D C 0.120 176.637 176.300 0.363 0.000 1.114 206 D CA -0.087 54.080 54.000 0.278 0.000 0.854 206 D CB 0.516 41.455 40.800 0.233 0.000 1.132 206 D HN 0.183 nan 8.370 nan 0.000 0.461 207 L N 2.137 123.480 121.223 0.199 0.000 2.371 207 L HA 0.285 4.625 4.340 -0.000 0.000 0.272 207 L C 1.858 178.786 176.870 0.096 0.000 1.124 207 L CA -0.418 54.437 54.840 0.024 0.000 0.816 207 L CB 1.230 43.192 42.059 -0.162 0.000 1.129 207 L HN 0.313 nan 8.230 nan 0.000 0.448 208 R N 1.877 122.303 120.500 -0.124 0.000 1.841 208 R HA 0.154 4.494 4.340 -0.000 0.000 0.157 208 R C 1.065 177.320 176.300 -0.075 0.000 1.339 208 R CA 0.562 56.433 56.100 -0.381 0.000 1.482 208 R CB -0.539 29.381 30.300 -0.634 0.000 0.808 208 R HN 0.798 nan 8.270 nan 0.000 0.551 209 G N 0.522 109.308 108.800 -0.023 0.000 2.443 209 G HA2 0.001 3.960 3.960 -0.000 0.000 0.286 209 G HA3 0.001 3.960 3.960 -0.000 0.000 0.286 209 G C -2.034 172.700 174.900 -0.276 0.000 1.393 209 G CA -0.745 44.265 45.100 -0.150 0.000 1.080 209 G HN 0.361 nan 8.290 nan 0.000 0.566 210 P HA 0.200 nan 4.420 nan 0.000 0.245 210 P C -1.076 175.719 177.300 -0.842 0.000 1.670 210 P CA 0.424 63.150 63.100 -0.624 0.000 1.146 210 P CB -0.473 30.798 31.700 -0.715 0.000 1.954 211 F N 0.523 120.337 119.950 -0.226 0.000 2.520 211 F HA 0.468 4.995 4.527 -0.000 0.000 0.322 211 F C 0.450 176.143 175.800 -0.178 0.000 1.103 211 F CA -0.644 57.249 58.000 -0.179 0.000 0.926 211 F CB 1.769 40.638 39.000 -0.218 0.000 1.154 211 F HN -0.108 nan 8.300 nan 0.000 0.453 212 S N 1.760 117.512 115.700 0.087 0.000 2.647 212 S HA 0.341 4.811 4.470 -0.000 0.000 0.300 212 S C 0.234 174.866 174.600 0.053 0.000 1.129 212 S CA -0.725 57.496 58.200 0.034 0.000 1.029 212 S CB 0.547 63.769 63.200 0.036 0.000 1.007 212 S HN 0.641 nan 8.310 nan 0.000 0.484 213 Y N 2.722 123.061 120.300 0.066 0.000 2.181 213 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 213 Y C -0.228 175.692 175.900 0.034 0.000 1.179 213 Y CA 2.305 60.433 58.100 0.045 0.000 1.179 213 Y CB -1.258 37.224 38.460 0.036 0.000 0.973 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.192 nan 4.420 nan 0.000 0.216 214 P C 1.248 178.598 177.300 0.082 0.000 1.153 214 P CA 2.351 65.517 63.100 0.110 0.000 0.858 214 P CB -0.258 31.489 31.700 0.080 0.000 0.789 215 S N -1.696 114.053 115.700 0.081 0.000 2.786 215 S HA 0.132 4.602 4.470 -0.000 0.000 0.223 215 S C 1.473 176.093 174.600 0.033 0.000 0.956 215 S CA 0.154 58.387 58.200 0.054 0.000 0.961 215 S CB -1.017 62.235 63.200 0.087 0.000 0.784 215 S HN 0.138 nan 8.310 nan 0.000 0.519 216 L N -0.365 120.899 121.223 0.068 0.000 3.284 216 L HA 0.220 4.560 4.340 -0.000 0.000 0.294 216 L C -0.049 176.886 176.870 0.108 0.000 1.183 216 L CA 0.011 54.892 54.840 0.068 0.000 1.056 216 L CB 0.492 42.581 42.059 0.050 0.000 1.513 216 L HN 0.143 nan 8.230 nan 0.000 0.601 217 T N -0.849 113.771 114.554 0.109 0.000 2.869 217 T HA 0.115 4.465 4.350 -0.000 0.000 0.295 217 T C 0.950 175.657 174.700 0.012 0.000 0.987 217 T CA 0.214 62.353 62.100 0.065 0.000 1.109 217 T CB 2.375 71.270 68.868 0.044 0.000 0.932 217 T HN -0.064 nan 8.240 nan 0.000 0.518 218 S N 1.207 116.890 115.700 -0.028 0.000 2.502 218 S HA 0.499 4.969 4.470 -0.000 0.000 0.228 218 S C 0.538 175.057 174.600 -0.136 0.000 1.061 218 S CA 0.065 58.237 58.200 -0.047 0.000 0.935 218 S CB 0.192 63.380 63.200 -0.020 0.000 0.809 218 S HN 0.895 nan 8.310 nan 0.000 0.510 219 A N 0.877 123.509 122.820 -0.314 0.000 2.422 219 A HA 0.762 5.082 4.320 -0.000 0.000 0.302 219 A C -0.961 176.236 177.584 -0.645 0.000 1.041 219 A CA -0.474 51.231 52.037 -0.552 0.000 0.708 219 A CB 1.516 19.940 19.000 -0.960 0.000 1.257 219 A HN 0.351 nan 8.150 nan 0.000 0.414 220 Q N 1.449 121.088 119.800 -0.268 0.000 2.305 220 Q HA 0.656 4.995 4.340 -0.000 0.000 0.271 220 Q C -0.751 175.375 176.000 0.209 0.000 1.046 220 Q CA -0.395 55.400 55.803 -0.012 0.000 0.798 220 Q CB 2.043 30.784 28.738 0.005 0.000 1.286 220 Q HN 0.793 nan 8.270 nan 0.000 0.435 221 S N 0.778 116.703 115.700 0.375 0.000 2.623 221 S HA 0.459 4.929 4.470 -0.000 0.000 0.287 221 S C 0.918 175.633 174.600 0.191 0.000 1.123 221 S CA -0.100 58.302 58.200 0.337 0.000 1.016 221 S CB 0.702 64.165 63.200 0.438 0.000 1.233 221 S HN 0.842 nan 8.310 nan 0.000 0.512 222 G N 0.147 109.038 108.800 0.151 0.000 2.534 222 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.217 222 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.217 222 G C -0.114 174.804 174.900 0.031 0.000 1.128 222 G CA 0.941 46.088 45.100 0.078 0.000 0.784 222 G HN 0.746 nan 8.290 nan 0.000 0.542 223 D N -2.928 117.483 120.400 0.019 0.000 2.682 223 D HA 0.149 4.789 4.640 -0.000 0.000 0.291 223 D C -0.689 175.442 176.300 -0.282 0.000 1.585 223 D CA -0.619 53.298 54.000 -0.138 0.000 0.845 223 D CB -0.346 40.321 40.800 -0.221 0.000 1.323 223 D HN 0.223 nan 8.370 nan 0.000 0.438 224 Y N 0.597 120.953 120.300 0.093 0.000 2.462 224 Y HA 0.729 5.279 4.550 -0.000 0.000 0.346 224 Y C -0.050 176.023 175.900 0.288 0.000 0.976 224 Y CA -0.816 57.364 58.100 0.133 0.000 1.044 224 Y CB 2.564 41.120 38.460 0.160 0.000 1.230 224 Y HN -0.200 nan 8.280 nan 0.000 0.455 225 S N 2.276 118.199 115.700 0.371 0.000 2.595 225 S HA 0.668 5.138 4.470 -0.000 0.000 0.281 225 S C -2.031 172.726 174.600 0.262 0.000 1.117 225 S CA -0.687 57.615 58.200 0.170 0.000 0.873 225 S CB 2.169 65.353 63.200 -0.026 0.000 1.108 225 S HN 0.446 nan 8.310 nan 0.000 0.477 226 L N 2.660 123.905 121.223 0.036 0.000 2.427 226 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 226 L C -1.324 175.589 176.870 0.071 0.000 0.989 226 L CA -0.329 54.609 54.840 0.163 0.000 0.865 226 L CB 0.981 43.076 42.059 0.061 0.000 1.209 226 L HN 0.485 nan 8.230 nan 0.000 0.430 227 V N 5.412 125.401 119.914 0.123 0.000 2.644 227 V HA 0.461 4.581 4.120 -0.000 0.000 0.295 227 V C 0.280 176.437 176.094 0.105 0.000 1.053 227 V CA -0.419 61.963 62.300 0.137 0.000 0.987 227 V CB 1.720 33.691 31.823 0.245 0.000 1.006 227 V HN 0.527 nan 8.190 nan 0.000 0.472 228 I N 3.968 124.593 120.570 0.092 0.000 2.405 228 I HA 0.329 4.499 4.170 -0.000 0.000 0.280 228 I C -0.676 175.475 176.117 0.055 0.000 1.027 228 I CA -0.506 60.827 61.300 0.054 0.000 1.161 228 I CB 1.477 39.502 38.000 0.042 0.000 1.300 228 I HN 0.272 nan 8.210 nan 0.000 0.463 229 V N 5.068 125.012 119.914 0.050 0.000 2.348 229 V HA 0.604 4.724 4.120 -0.000 0.000 0.270 229 V C 0.175 176.303 176.094 0.057 0.000 1.037 229 V CA -0.016 62.294 62.300 0.017 0.000 0.872 229 V CB 1.060 32.909 31.823 0.043 0.000 1.002 229 V HN 0.842 nan 8.190 nan 0.000 0.464 230 T N 2.724 117.305 114.554 0.046 0.000 2.722 230 T HA 0.430 4.780 4.350 -0.000 0.000 0.314 230 T C -0.431 174.336 174.700 0.111 0.000 1.675 230 T CA 0.126 62.296 62.100 0.117 0.000 1.003 230 T CB 1.896 70.821 68.868 0.096 0.000 1.602 230 T HN 0.875 nan 8.240 nan 0.000 0.496 231 T N 0.590 115.281 114.554 0.228 0.000 2.934 231 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 231 T C 1.050 175.846 174.700 0.160 0.000 1.005 231 T CA -0.483 61.695 62.100 0.130 0.000 1.041 231 T CB 0.618 69.563 68.868 0.129 0.000 1.042 231 T HN 0.402 nan 8.240 nan 0.000 0.505 232 F N 1.130 121.214 119.950 0.222 0.000 2.134 232 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 232 F C 2.679 178.593 175.800 0.191 0.000 1.097 232 F CA 1.074 59.227 58.000 0.255 0.000 1.264 232 F CB -1.050 38.032 39.000 0.135 0.000 1.001 232 F HN 0.427 nan 8.300 nan 0.000 0.479 233 V N -0.466 119.600 119.914 0.254 0.000 2.324 233 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 233 V C 2.407 178.571 176.094 0.117 0.000 1.060 233 V CA 2.156 64.519 62.300 0.105 0.000 1.042 233 V CB -0.864 30.928 31.823 -0.051 0.000 0.650 233 V HN 0.370 nan 8.190 nan 0.000 0.450 234 H N -1.514 117.728 119.070 0.287 0.000 2.343 234 H HA -0.086 4.470 4.556 -0.000 0.000 0.303 234 H C 2.184 177.670 175.328 0.264 0.000 1.068 234 H CA 1.754 57.978 56.048 0.293 0.000 1.359 234 H CB -0.666 29.330 29.762 0.390 0.000 1.402 234 H HN 0.502 nan 8.280 nan 0.000 0.515 235 Y N 1.805 122.262 120.300 0.262 0.000 2.283 235 Y HA -0.279 4.271 4.550 -0.000 0.000 0.285 235 Y C 2.509 178.500 175.900 0.152 0.000 1.176 235 Y CA 1.195 59.364 58.100 0.115 0.000 1.229 235 Y CB -0.347 38.044 38.460 -0.115 0.000 0.975 235 Y HN 0.200 nan 8.280 nan 0.000 0.537 236 A N 0.160 123.068 122.820 0.146 0.000 1.841 236 A HA -0.238 4.082 4.320 -0.000 0.000 0.214 236 A C 2.144 179.678 177.584 -0.083 0.000 1.195 236 A CA 1.750 53.804 52.037 0.028 0.000 0.611 236 A CB -1.140 17.902 19.000 0.071 0.000 0.835 236 A HN 0.578 nan 8.150 nan 0.000 0.443 237 N N -1.612 116.986 118.700 -0.169 0.000 2.272 237 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 237 N C 1.176 176.469 175.510 -0.361 0.000 1.014 237 N CA 1.557 54.418 53.050 -0.315 0.000 0.870 237 N CB -0.313 37.706 38.487 -0.780 0.000 0.975 237 N HN 0.392 nan 8.380 nan 0.000 0.433 238 F N -0.581 119.166 119.950 -0.339 0.000 2.262 238 F HA 0.097 4.624 4.527 -0.000 0.000 0.292 238 F C 2.381 177.775 175.800 -0.677 0.000 1.081 238 F CA 0.729 58.367 58.000 -0.604 0.000 1.355 238 F CB -0.591 38.215 39.000 -0.322 0.000 1.069 238 F HN 0.265 nan 8.300 nan 0.000 0.506 239 H N 0.428 119.238 119.070 -0.434 0.000 2.543 239 H HA -0.102 4.454 4.556 -0.000 0.000 0.286 239 H C 1.423 176.587 175.328 -0.273 0.000 1.037 239 H CA 0.906 56.687 56.048 -0.445 0.000 1.250 239 H CB -0.077 29.360 29.762 -0.541 0.000 1.373 239 H HN 0.208 nan 8.280 nan 0.000 0.580 240 N N 0.252 118.857 118.700 -0.159 0.000 2.331 240 N HA -0.134 4.606 4.740 -0.000 0.000 0.180 240 N C 0.768 176.282 175.510 0.006 0.000 1.019 240 N CA 1.234 54.265 53.050 -0.031 0.000 0.881 240 N CB 0.059 38.573 38.487 0.045 0.000 0.972 240 N HN 0.658 nan 8.380 nan 0.000 0.435 241 Y N -3.782 116.496 120.300 -0.037 0.000 2.666 241 Y HA 0.427 4.977 4.550 -0.000 0.000 0.260 241 Y C -0.619 175.312 175.900 0.051 0.000 1.089 241 Y CA -1.043 57.039 58.100 -0.031 0.000 1.246 241 Y CB -0.241 38.180 38.460 -0.065 0.000 1.353 241 Y HN -0.204 nan 8.280 nan 0.000 0.558 242 F N 2.166 121.858 119.950 -0.429 0.000 2.771 242 F HA 0.684 5.211 4.527 -0.000 0.000 0.365 242 F C -1.516 174.065 175.800 -0.365 0.000 1.169 242 F CA -1.974 55.831 58.000 -0.326 0.000 1.093 242 F CB 1.519 40.312 39.000 -0.345 0.000 1.363 242 F HN -0.169 nan 8.300 nan 0.000 0.496 243 V N 7.589 127.122 119.914 -0.634 0.000 2.260 243 V HA 0.296 4.416 4.120 -0.000 0.000 0.263 243 V C -1.997 173.759 176.094 -0.563 0.000 1.036 243 V CA -1.240 60.684 62.300 -0.626 0.000 0.874 243 V CB 0.371 31.918 31.823 -0.462 0.000 1.116 243 V HN 0.548 nan 8.190 nan 0.000 0.454 244 P HA 0.069 nan 4.420 nan 0.000 0.269 244 P C -0.100 177.075 177.300 -0.208 0.000 1.209 244 P CA -0.090 62.702 63.100 -0.512 0.000 0.776 244 P CB 0.935 32.261 31.700 -0.623 0.000 0.876 245 N N 2.501 121.157 118.700 -0.074 0.000 3.303 245 N HA 0.044 4.784 4.740 -0.000 0.000 0.304 245 N C 1.401 176.942 175.510 0.052 0.000 1.302 245 N CA -0.121 52.927 53.050 -0.003 0.000 1.213 245 N CB -0.632 37.872 38.487 0.029 0.000 1.481 245 N HN 0.351 nan 8.380 nan 0.000 0.546 246 L N 0.567 121.812 121.223 0.037 0.000 2.151 246 L HA -0.346 3.994 4.340 -0.000 0.000 0.219 246 L C 2.259 179.220 176.870 0.153 0.000 1.083 246 L CA 1.633 56.528 54.840 0.092 0.000 0.782 246 L CB -0.380 41.705 42.059 0.042 0.000 0.891 246 L HN 0.359 nan 8.230 nan 0.000 0.439 247 K N 0.036 120.505 120.400 0.115 0.000 1.971 247 K HA -0.205 4.115 4.320 -0.000 0.000 0.221 247 K C 1.785 178.491 176.600 0.178 0.000 1.050 247 K CA 2.054 58.426 56.287 0.142 0.000 0.967 247 K CB -0.436 32.121 32.500 0.094 0.000 0.733 247 K HN 0.275 nan 8.250 nan 0.000 0.445 248 D N 0.619 121.093 120.400 0.124 0.000 2.117 248 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 248 D C 1.799 178.170 176.300 0.119 0.000 0.987 248 D CA 1.058 55.118 54.000 0.100 0.000 0.829 248 D CB -0.228 40.616 40.800 0.073 0.000 0.961 248 D HN 0.190 nan 8.370 nan 0.000 0.460 249 M N -0.675 119.026 119.600 0.168 0.000 2.202 249 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 249 M C 1.816 178.245 176.300 0.214 0.000 1.063 249 M CA 1.256 56.687 55.300 0.218 0.000 1.097 249 M CB -0.001 32.757 32.600 0.262 0.000 1.382 249 M HN 0.010 nan 8.290 nan 0.000 0.413 250 F N 0.111 120.107 119.950 0.075 0.000 2.094 250 F HA -0.049 4.478 4.527 -0.000 0.000 0.291 250 F C 2.271 178.071 175.800 -0.000 0.000 1.109 250 F CA 1.742 59.772 58.000 0.050 0.000 1.221 250 F CB -0.753 38.321 39.000 0.123 0.000 1.014 250 F HN 0.094 nan 8.300 nan 0.000 0.473 251 S N 0.799 116.502 115.700 0.006 0.000 2.369 251 S HA -0.293 4.177 4.470 -0.000 0.000 0.225 251 S C 2.140 176.621 174.600 -0.199 0.000 1.043 251 S CA 1.753 59.883 58.200 -0.116 0.000 1.074 251 S CB -0.630 62.585 63.200 0.024 0.000 0.962 251 S HN 0.353 nan 8.310 nan 0.000 0.433 252 R N 0.916 121.342 120.500 -0.124 0.000 2.139 252 R HA -0.084 4.256 4.340 -0.000 0.000 0.243 252 R C 2.081 178.265 176.300 -0.193 0.000 1.145 252 R CA 1.214 57.238 56.100 -0.127 0.000 0.976 252 R CB -0.345 29.869 30.300 -0.144 0.000 0.866 252 R HN 0.424 nan 8.270 nan 0.000 0.449 253 A N -0.643 121.956 122.820 -0.368 0.000 2.208 253 A HA 0.054 4.374 4.320 -0.000 0.000 0.209 253 A C 1.635 178.772 177.584 -0.745 0.000 1.161 253 A CA 0.546 52.083 52.037 -0.833 0.000 0.782 253 A CB 0.380 18.822 19.000 -0.930 0.000 0.816 253 A HN 0.180 nan 8.150 nan 0.000 0.477 254 V N -0.856 118.723 119.914 -0.558 0.000 2.840 254 V HA 0.005 4.125 4.120 -0.000 0.000 0.234 254 V C 1.388 177.310 176.094 -0.288 0.000 1.159 254 V CA 1.453 63.459 62.300 -0.490 0.000 1.194 254 V CB -0.348 31.121 31.823 -0.589 0.000 0.971 254 V HN 0.564 nan 8.190 nan 0.000 0.494 255 T N 0.393 114.821 114.554 -0.209 0.000 3.414 255 T HA 0.643 4.993 4.350 -0.000 0.000 0.304 255 T C -0.579 174.072 174.700 -0.082 0.000 1.241 255 T CA 0.134 62.172 62.100 -0.104 0.000 1.076 255 T CB -0.109 68.721 68.868 -0.063 0.000 1.134 255 T HN 0.285 nan 8.240 nan 0.000 0.759 256 M N 2.715 122.275 119.600 -0.067 0.000 2.363 256 M HA 0.199 4.679 4.480 -0.000 0.000 0.256 256 M C -0.239 176.081 176.300 0.032 0.000 1.005 256 M CA -0.300 54.995 55.300 -0.008 0.000 0.890 256 M CB 1.819 34.427 32.600 0.014 0.000 2.101 256 M HN 0.575 nan 8.290 nan 0.000 0.476 257 T N 2.575 117.184 114.554 0.091 0.000 2.937 257 T HA 0.349 4.699 4.350 -0.000 0.000 0.316 257 T C 1.217 176.020 174.700 0.172 0.000 1.079 257 T CA 0.932 63.133 62.100 0.170 0.000 1.131 257 T CB 0.964 69.964 68.868 0.220 0.000 1.000 257 T HN 0.832 nan 8.240 nan 0.000 0.549 258 A N 4.910 127.870 122.820 0.232 0.000 1.869 258 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 258 A C 2.781 180.387 177.584 0.035 0.000 1.203 258 A CA 2.708 54.830 52.037 0.141 0.000 0.638 258 A CB -1.675 17.457 19.000 0.221 0.000 0.831 258 A HN 1.431 nan 8.150 nan 0.000 0.450 259 A N -0.967 121.799 122.820 -0.091 0.000 1.917 259 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 259 A C 2.477 180.057 177.584 -0.007 0.000 1.182 259 A CA 2.427 54.382 52.037 -0.137 0.000 0.633 259 A CB -1.020 17.843 19.000 -0.229 0.000 0.819 259 A HN 0.511 nan 8.150 nan 0.000 0.448 260 S N -1.934 113.801 115.700 0.058 0.000 2.348 260 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 260 S C 1.861 176.545 174.600 0.139 0.000 1.033 260 S CA 1.457 59.712 58.200 0.093 0.000 1.010 260 S CB -0.592 62.667 63.200 0.099 0.000 0.891 260 S HN 0.657 nan 8.310 nan 0.000 0.442 261 Y N 2.459 122.779 120.300 0.034 0.000 2.165 261 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 261 Y C 2.442 178.395 175.900 0.089 0.000 1.155 261 Y CA 0.941 59.087 58.100 0.077 0.000 1.164 261 Y CB -0.835 37.634 38.460 0.015 0.000 0.978 261 Y HN 0.225 nan 8.280 nan 0.000 0.513 262 A N 0.202 123.062 122.820 0.068 0.000 1.892 262 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 262 A C 2.346 179.871 177.584 -0.098 0.000 1.188 262 A CA 2.189 54.184 52.037 -0.070 0.000 0.631 262 A CB -0.807 18.110 19.000 -0.139 0.000 0.822 262 A HN 0.545 nan 8.150 nan 0.000 0.447 263 R N -2.068 118.410 120.500 -0.037 0.000 2.090 263 R HA -0.134 4.206 4.340 -0.000 0.000 0.228 263 R C 2.087 178.360 176.300 -0.045 0.000 1.110 263 R CA 1.544 57.630 56.100 -0.023 0.000 0.973 263 R CB -0.582 29.739 30.300 0.034 0.000 0.869 263 R HN 0.598 nan 8.270 nan 0.000 0.440 264 Y N 0.459 120.681 120.300 -0.130 0.000 2.193 264 Y HA -0.232 4.318 4.550 -0.000 0.000 0.285 264 Y C 1.647 177.432 175.900 -0.191 0.000 1.166 264 Y CA 1.807 59.815 58.100 -0.154 0.000 1.181 264 Y CB -0.374 37.966 38.460 -0.200 0.000 0.976 264 Y HN -0.089 nan 8.280 nan 0.000 0.520 265 V N 0.033 119.630 119.914 -0.528 0.000 2.346 265 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 265 V C 2.407 178.317 176.094 -0.306 0.000 1.037 265 V CA 1.518 63.498 62.300 -0.534 0.000 1.029 265 V CB -0.856 30.759 31.823 -0.348 0.000 0.663 265 V HN 0.485 nan 8.190 nan 0.000 0.454 266 L N 0.066 121.173 121.223 -0.194 0.000 2.043 266 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 266 L C 2.514 179.313 176.870 -0.119 0.000 1.075 266 L CA 2.096 56.867 54.840 -0.115 0.000 0.752 266 L CB -0.524 41.496 42.059 -0.065 0.000 0.891 266 L HN 0.375 nan 8.230 nan 0.000 0.432 267 Q N -0.936 118.777 119.800 -0.145 0.000 2.079 267 Q HA -0.237 4.103 4.340 -0.000 0.000 0.200 267 Q C 2.328 178.240 176.000 -0.147 0.000 0.974 267 Q CA 1.604 57.336 55.803 -0.118 0.000 0.840 267 Q CB -0.212 28.473 28.738 -0.089 0.000 0.898 267 Q HN 0.469 nan 8.270 nan 0.000 0.430 268 K N 0.617 120.861 120.400 -0.260 0.000 2.113 268 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 268 K C 2.024 178.544 176.600 -0.134 0.000 1.047 268 K CA 0.998 57.142 56.287 -0.240 0.000 0.928 268 K CB -0.045 32.211 32.500 -0.405 0.000 0.716 268 K HN 0.187 nan 8.250 nan 0.000 0.446 269 L N 0.029 121.176 121.223 -0.127 0.000 2.044 269 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 269 L C 2.290 179.109 176.870 -0.085 0.000 1.075 269 L CA 0.724 55.512 54.840 -0.086 0.000 0.747 269 L CB -0.510 41.496 42.059 -0.089 0.000 0.903 269 L HN -0.017 nan 8.230 nan 0.000 0.435 270 V N 0.466 120.331 119.914 -0.081 0.000 2.324 270 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 270 V C 2.481 178.547 176.094 -0.047 0.000 1.060 270 V CA 1.996 64.257 62.300 -0.066 0.000 1.042 270 V CB -0.534 31.262 31.823 -0.045 0.000 0.650 270 V HN 0.356 nan 8.190 nan 0.000 0.450 271 L N -0.385 120.814 121.223 -0.040 0.000 1.970 271 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 271 L C 2.228 179.087 176.870 -0.019 0.000 1.071 271 L CA 2.007 56.835 54.840 -0.020 0.000 0.751 271 L CB -0.612 41.434 42.059 -0.021 0.000 0.889 271 L HN 0.166 nan 8.230 nan 0.000 0.432 272 L N 0.019 121.228 121.223 -0.023 0.000 2.129 272 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 272 L C 2.598 179.452 176.870 -0.026 0.000 1.087 272 L CA 1.866 56.701 54.840 -0.008 0.000 0.757 272 L CB -0.916 41.154 42.059 0.017 0.000 0.896 272 L HN 0.487 nan 8.230 nan 0.000 0.434 273 E N -0.694 119.471 120.200 -0.058 0.000 2.047 273 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 273 E C 2.222 178.790 176.600 -0.053 0.000 0.987 273 E CA 1.143 57.495 56.400 -0.080 0.000 0.799 273 E CB -0.077 29.556 29.700 -0.112 0.000 0.752 273 E HN 0.444 nan 8.360 nan 0.000 0.449 274 M N 0.079 119.659 119.600 -0.033 0.000 2.460 274 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 274 M C 1.543 177.843 176.300 0.000 0.000 1.071 274 M CA 1.038 56.333 55.300 -0.008 0.000 1.096 274 M CB 0.115 32.728 32.600 0.021 0.000 1.408 274 M HN -0.101 nan 8.290 nan 0.000 0.463 275 K N -0.108 120.290 120.400 -0.004 0.000 2.417 275 K HA 0.149 4.469 4.320 -0.000 0.000 0.196 275 K C 1.095 177.694 176.600 -0.002 0.000 1.023 275 K CA 0.411 56.698 56.287 0.001 0.000 1.122 275 K CB 0.196 32.698 32.500 0.004 0.000 0.850 275 K HN 0.486 nan 8.250 nan 0.000 0.521 276 G N 0.912 109.706 108.800 -0.010 0.000 2.189 276 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 276 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 276 G C 0.799 175.697 174.900 -0.004 0.000 0.975 276 G CA 0.266 45.359 45.100 -0.012 0.000 0.644 276 G HN 0.477 nan 8.290 nan 0.000 0.537 277 G N -0.841 107.963 108.800 0.006 0.000 2.807 277 G HA2 0.092 4.052 3.960 -0.000 0.000 0.207 277 G HA3 0.092 4.052 3.960 -0.000 0.000 0.207 277 G C 1.213 176.154 174.900 0.069 0.000 1.151 277 G CA 1.457 46.582 45.100 0.042 0.000 0.800 277 G HN 0.745 nan 8.290 nan 0.000 0.523 278 c N -0.792 117.807 118.600 -0.003 0.000 2.974 278 c HA 0.425 4.995 4.570 -0.000 0.000 0.282 278 c C 1.934 176.019 174.090 -0.008 0.000 1.292 278 c CA -0.390 55.912 56.329 -0.045 0.000 1.710 278 c CB -0.582 41.845 42.510 -0.138 0.000 2.036 278 c HN 0.539 nan 8.230 nan 0.000 0.629 279 R N -0.363 120.144 120.500 0.011 0.000 2.637 279 R HA 0.107 4.447 4.340 -0.000 0.000 0.262 279 R C -0.074 176.234 176.300 0.013 0.000 0.959 279 R CA 0.109 56.214 56.100 0.008 0.000 1.061 279 R CB 0.423 30.718 30.300 -0.008 0.000 1.610 279 R HN 0.191 nan 8.270 nan 0.000 0.548 280 E N 1.337 121.547 120.200 0.016 0.000 4.044 280 E HA 0.214 4.564 4.350 -0.000 0.000 0.216 280 E C -2.623 173.981 176.600 0.007 0.000 1.104 280 E CA -1.717 54.684 56.400 0.002 0.000 1.383 280 E CB 1.408 31.103 29.700 -0.008 0.000 1.195 280 E HN -0.025 nan 8.360 nan 0.000 0.442 281 P HA -0.111 nan 4.420 nan 0.000 0.242 281 P C -0.092 177.168 177.300 -0.067 0.000 1.116 281 P CA 0.558 63.683 63.100 0.042 0.000 0.954 281 P CB 0.024 31.752 31.700 0.045 0.000 0.908 282 E N 2.798 122.963 120.200 -0.058 0.000 2.324 282 E HA 0.107 4.457 4.350 -0.000 0.000 0.271 282 E C -0.135 176.351 176.600 -0.190 0.000 1.028 282 E CA -0.034 56.301 56.400 -0.108 0.000 0.890 282 E CB 0.182 29.845 29.700 -0.060 0.000 1.004 282 E HN 0.350 nan 8.360 nan 0.000 0.431 283 L N 5.539 126.590 121.223 -0.287 0.000 2.423 283 L HA 0.215 4.555 4.340 -0.000 0.000 0.249 283 L C -0.501 176.221 176.870 -0.247 0.000 1.276 283 L CA -0.313 54.263 54.840 -0.441 0.000 1.199 283 L CB -0.681 40.953 42.059 -0.709 0.000 1.407 283 L HN 0.551 nan 8.230 nan 0.000 0.410 284 D N -2.803 117.530 120.400 -0.111 0.000 2.467 284 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 284 D C 1.286 177.645 176.300 0.098 0.000 1.038 284 D CA -0.272 53.739 54.000 0.018 0.000 1.038 284 D CB 0.700 41.500 40.800 0.000 0.000 1.278 284 D HN 0.099 nan 8.370 nan 0.000 0.564 285 T N -2.564 112.073 114.554 0.138 0.000 2.665 285 T HA -0.301 4.049 4.350 -0.000 0.000 0.268 285 T C 1.512 176.309 174.700 0.162 0.000 1.035 285 T CA 1.766 63.979 62.100 0.188 0.000 1.151 285 T CB -0.668 68.207 68.868 0.011 0.000 0.862 285 T HN 0.620 nan 8.240 nan 0.000 0.438 286 E N 0.933 121.183 120.200 0.084 0.000 2.023 286 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 286 E C 2.344 178.992 176.600 0.079 0.000 1.003 286 E CA 1.911 58.355 56.400 0.074 0.000 0.809 286 E CB -0.511 29.215 29.700 0.044 0.000 0.755 286 E HN 0.582 nan 8.360 nan 0.000 0.449 287 T N 1.181 115.764 114.554 0.048 0.000 2.720 287 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 287 T C 1.812 176.516 174.700 0.006 0.000 1.037 287 T CA 1.194 63.313 62.100 0.031 0.000 1.144 287 T CB -0.212 68.639 68.868 -0.028 0.000 0.864 287 T HN 0.068 nan 8.240 nan 0.000 0.444 288 L N 0.679 121.888 121.223 -0.023 0.000 2.109 288 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 288 L C 2.783 179.703 176.870 0.082 0.000 1.086 288 L CA 1.556 56.311 54.840 -0.143 0.000 0.760 288 L CB -1.018 40.746 42.059 -0.491 0.000 0.910 288 L HN 0.231 nan 8.230 nan 0.000 0.437 289 T N -1.326 113.394 114.554 0.277 0.000 2.652 289 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 289 T C 1.880 176.735 174.700 0.259 0.000 1.039 289 T CA 2.127 64.435 62.100 0.346 0.000 1.153 289 T CB -0.562 68.462 68.868 0.260 0.000 0.863 289 T HN 0.615 nan 8.240 nan 0.000 0.428 290 T N 1.367 116.014 114.554 0.156 0.000 2.699 290 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 290 T C 2.016 176.795 174.700 0.132 0.000 1.036 290 T CA 1.496 63.656 62.100 0.099 0.000 1.147 290 T CB -0.720 68.185 68.868 0.062 0.000 0.862 290 T HN 0.281 nan 8.240 nan 0.000 0.446 291 M N 0.146 119.821 119.600 0.126 0.000 2.082 291 M HA 0.003 4.483 4.480 -0.000 0.000 0.258 291 M C 2.169 178.560 176.300 0.152 0.000 1.071 291 M CA 2.284 57.642 55.300 0.097 0.000 1.103 291 M CB -0.700 31.823 32.600 -0.128 0.000 1.307 291 M HN 0.301 nan 8.290 nan 0.000 0.409 292 F N 1.447 121.355 119.950 -0.070 0.000 2.126 292 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 292 F C 2.156 178.096 175.800 0.232 0.000 1.096 292 F CA 1.810 59.869 58.000 0.097 0.000 1.255 292 F CB -0.408 38.663 39.000 0.117 0.000 0.997 292 F HN 0.200 nan 8.300 nan 0.000 0.479 293 E N -0.428 119.835 120.200 0.105 0.000 2.150 293 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 293 E C 2.387 179.051 176.600 0.107 0.000 0.985 293 E CA 1.276 57.720 56.400 0.074 0.000 0.814 293 E CB -0.396 29.377 29.700 0.123 0.000 0.752 293 E HN 0.328 nan 8.360 nan 0.000 0.466 294 V N 1.793 121.787 119.914 0.133 0.000 2.407 294 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 294 V C 2.551 178.827 176.094 0.304 0.000 1.055 294 V CA 2.162 64.580 62.300 0.197 0.000 1.049 294 V CB -0.453 31.502 31.823 0.220 0.000 0.662 294 V HN 0.363 nan 8.190 nan 0.000 0.455 295 S N -0.787 115.061 115.700 0.247 0.000 2.414 295 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 295 S C 1.888 176.625 174.600 0.228 0.000 1.022 295 S CA 1.156 59.489 58.200 0.223 0.000 0.958 295 S CB -0.165 63.148 63.200 0.190 0.000 0.797 295 S HN 0.315 nan 8.310 nan 0.000 0.493 296 V N 2.514 122.475 119.914 0.078 0.000 2.515 296 V HA -0.073 4.047 4.120 -0.000 0.000 0.250 296 V C 3.092 179.358 176.094 0.286 0.000 1.058 296 V CA 1.503 63.858 62.300 0.091 0.000 1.064 296 V CB -1.450 30.242 31.823 -0.219 0.000 0.675 296 V HN 0.645 nan 8.190 nan 0.000 0.461 297 A N -0.453 122.617 122.820 0.418 0.000 1.902 297 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 297 A C 2.033 179.697 177.584 0.133 0.000 1.181 297 A CA 1.804 54.061 52.037 0.366 0.000 0.623 297 A CB -0.658 18.458 19.000 0.194 0.000 0.818 297 A HN 0.470 nan 8.150 nan 0.000 0.443 298 F N -1.718 118.293 119.950 0.100 0.000 2.206 298 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 298 F C 1.967 177.838 175.800 0.118 0.000 1.090 298 F CA 1.325 59.350 58.000 0.042 0.000 1.323 298 F CB -0.484 38.531 39.000 0.026 0.000 1.028 298 F HN 0.363 nan 8.300 nan 0.000 0.492 299 F N 1.200 121.289 119.950 0.232 0.000 2.134 299 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 299 F C 2.296 178.224 175.800 0.213 0.000 1.097 299 F CA 1.516 59.645 58.000 0.215 0.000 1.264 299 F CB -0.558 38.552 39.000 0.183 0.000 1.001 299 F HN -0.284 nan 8.300 nan 0.000 0.479 300 K N 0.576 120.930 120.400 -0.077 0.000 2.034 300 K HA -0.170 4.149 4.320 -0.000 0.000 0.214 300 K C 2.221 178.781 176.600 -0.066 0.000 1.051 300 K CA 1.842 58.026 56.287 -0.172 0.000 0.931 300 K CB -1.074 31.380 32.500 -0.076 0.000 0.715 300 K HN 0.284 nan 8.250 nan 0.000 0.446 301 V N 0.378 120.278 119.914 -0.024 0.000 2.332 301 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 301 V C 2.478 178.626 176.094 0.090 0.000 1.055 301 V CA 2.225 64.528 62.300 0.004 0.000 1.038 301 V CB -1.037 30.649 31.823 -0.230 0.000 0.651 301 V HN 0.467 nan 8.190 nan 0.000 0.450 302 G N -1.537 107.343 108.800 0.133 0.000 2.408 302 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 302 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 302 G C 1.557 176.577 174.900 0.199 0.000 1.150 302 G CA 0.852 46.152 45.100 0.333 0.000 0.776 302 G HN 0.612 nan 8.290 nan 0.000 0.542 303 H N 0.743 119.729 119.070 -0.140 0.000 2.495 303 H HA 0.155 4.711 4.556 -0.000 0.000 0.287 303 H C 2.601 177.869 175.328 -0.100 0.000 1.033 303 H CA 0.883 56.791 56.048 -0.233 0.000 1.307 303 H CB 0.223 29.586 29.762 -0.665 0.000 1.401 303 H HN 0.345 nan 8.280 nan 0.000 0.555 304 A N 0.318 123.116 122.820 -0.036 0.000 1.840 304 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 304 A C 2.604 180.156 177.584 -0.054 0.000 1.198 304 A CA 1.229 53.244 52.037 -0.037 0.000 0.608 304 A CB -0.827 18.243 19.000 0.118 0.000 0.839 304 A HN 0.251 nan 8.150 nan 0.000 0.443 305 V N 0.323 120.269 119.914 0.052 0.000 2.867 305 V HA -0.144 3.976 4.120 -0.000 0.000 0.260 305 V C 2.559 178.639 176.094 -0.022 0.000 1.099 305 V CA 1.619 63.953 62.300 0.057 0.000 1.122 305 V CB -1.344 30.582 31.823 0.171 0.000 0.708 305 V HN 0.623 nan 8.190 nan 0.000 0.490 306 G N -0.438 108.313 108.800 -0.082 0.000 2.404 306 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.213 306 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.213 306 G C 1.423 176.215 174.900 -0.180 0.000 1.189 306 G CA 0.308 45.321 45.100 -0.145 0.000 0.796 306 G HN 0.446 nan 8.290 nan 0.000 0.532 307 E N 0.882 120.922 120.200 -0.266 0.000 2.097 307 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 307 E C 1.958 178.472 176.600 -0.144 0.000 1.000 307 E CA 1.554 57.817 56.400 -0.229 0.000 0.804 307 E CB -0.775 28.773 29.700 -0.252 0.000 0.740 307 E HN 0.521 nan 8.360 nan 0.000 0.454 308 T N -0.515 113.962 114.554 -0.129 0.000 3.783 308 T HA 0.434 4.784 4.350 -0.000 0.000 0.262 308 T C 0.546 175.201 174.700 -0.075 0.000 1.381 308 T CA -0.172 61.869 62.100 -0.099 0.000 1.155 308 T CB 0.028 68.832 68.868 -0.106 0.000 1.256 308 T HN 0.050 nan 8.240 nan 0.000 0.807 309 G N 1.574 110.330 108.800 -0.073 0.000 2.398 309 G HA2 0.277 4.237 3.960 -0.000 0.000 0.246 309 G HA3 0.277 4.237 3.960 -0.000 0.000 0.246 309 G C 0.612 175.484 174.900 -0.046 0.000 1.289 309 G CA -0.703 44.363 45.100 -0.058 0.000 0.869 309 G HN 0.598 nan 8.290 nan 0.000 0.543 310 N N -0.054 118.623 118.700 -0.038 0.000 2.714 310 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 310 N C 0.908 176.397 175.510 -0.033 0.000 1.117 310 N CA 1.298 54.328 53.050 -0.032 0.000 0.719 310 N CB -1.111 37.359 38.487 -0.029 0.000 1.081 310 N HN 0.887 nan 8.380 nan 0.000 0.557 311 G N -1.002 107.775 108.800 -0.038 0.000 2.890 311 G HA2 0.615 4.575 3.960 -0.000 0.000 0.189 311 G HA3 0.615 4.575 3.960 -0.000 0.000 0.189 311 G C -0.745 174.134 174.900 -0.034 0.000 1.342 311 G CA 0.128 45.203 45.100 -0.041 0.000 1.026 311 G HN 0.392 nan 8.290 nan 0.000 0.579 312 c N 0.374 118.952 118.600 -0.037 0.000 2.716 312 c HA 0.550 5.120 4.570 -0.000 0.000 0.366 312 c C -0.367 173.707 174.090 -0.026 0.000 1.073 312 c CA -0.765 55.550 56.329 -0.023 0.000 1.260 312 c CB 0.274 42.773 42.510 -0.018 0.000 1.755 312 c HN 0.791 nan 8.230 nan 0.000 0.475 313 V N 2.790 122.705 119.914 0.001 0.000 2.432 313 V HA 0.453 4.573 4.120 -0.000 0.000 0.275 313 V C 0.187 176.330 176.094 0.081 0.000 1.043 313 V CA -0.151 62.163 62.300 0.023 0.000 0.925 313 V CB 1.272 33.159 31.823 0.106 0.000 0.985 313 V HN 0.869 nan 8.190 nan 0.000 0.466 314 D N 3.071 123.524 120.400 0.089 0.000 2.488 314 D HA 0.011 4.651 4.640 -0.000 0.000 0.238 314 D C 0.764 177.187 176.300 0.205 0.000 1.138 314 D CA -0.105 53.968 54.000 0.123 0.000 0.873 314 D CB 1.264 42.132 40.800 0.113 0.000 1.183 314 D HN 0.604 nan 8.370 nan 0.000 0.458 315 L N 4.485 125.806 121.223 0.163 0.000 2.191 315 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 315 L C 2.059 179.115 176.870 0.309 0.000 1.103 315 L CA 1.629 56.588 54.840 0.199 0.000 0.769 315 L CB -0.276 41.895 42.059 0.187 0.000 0.908 315 L HN 0.476 nan 8.230 nan 0.000 0.438 316 R N -1.483 119.198 120.500 0.301 0.000 2.092 316 R HA -0.222 4.118 4.340 -0.000 0.000 0.231 316 R C 2.169 178.646 176.300 0.294 0.000 1.119 316 R CA 1.725 58.029 56.100 0.340 0.000 0.970 316 R CB -0.812 29.537 30.300 0.081 0.000 0.864 316 R HN 0.608 nan 8.270 nan 0.000 0.440 317 W N 2.210 123.584 121.300 0.124 0.000 2.355 317 W HA -0.186 4.474 4.660 -0.000 0.000 0.309 317 W C 1.483 178.095 176.519 0.156 0.000 1.206 317 W CA 1.420 58.834 57.345 0.115 0.000 1.284 317 W CB -0.247 29.264 29.460 0.085 0.000 1.145 317 W HN 0.049 nan 8.180 nan 0.000 0.502 318 L N 1.233 122.578 121.223 0.203 0.000 1.994 318 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 318 L C 2.925 179.851 176.870 0.094 0.000 1.071 318 L CA 1.588 56.528 54.840 0.166 0.000 0.745 318 L CB -1.750 40.387 42.059 0.130 0.000 0.892 318 L HN -0.068 nan 8.230 nan 0.000 0.431 319 A N -0.086 122.776 122.820 0.069 0.000 2.042 319 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 319 A C 2.441 180.034 177.584 0.015 0.000 1.167 319 A CA 2.247 54.285 52.037 0.002 0.000 0.649 319 A CB -0.453 18.490 19.000 -0.095 0.000 0.809 319 A HN 0.421 nan 8.150 nan 0.000 0.457 320 K N -1.180 119.212 120.400 -0.013 0.000 2.121 320 K HA 0.023 4.343 4.320 -0.000 0.000 0.203 320 K C 2.267 178.811 176.600 -0.093 0.000 1.041 320 K CA 1.021 57.284 56.287 -0.040 0.000 0.969 320 K CB -0.062 32.379 32.500 -0.100 0.000 0.799 320 K HN 0.393 nan 8.250 nan 0.000 0.456 321 S N 0.780 116.268 115.700 -0.353 0.000 2.348 321 S HA -0.091 4.379 4.470 -0.000 0.000 0.221 321 S C 1.639 176.096 174.600 -0.238 0.000 1.033 321 S CA 1.345 59.285 58.200 -0.433 0.000 1.010 321 S CB -0.389 62.361 63.200 -0.751 0.000 0.891 321 S HN 0.264 nan 8.310 nan 0.000 0.442 322 F N 0.690 120.528 119.950 -0.187 0.000 2.408 322 F HA -0.018 4.508 4.527 -0.000 0.000 0.300 322 F C 1.797 177.537 175.800 -0.100 0.000 1.090 322 F CA 0.607 58.531 58.000 -0.126 0.000 1.427 322 F CB -0.276 38.686 39.000 -0.063 0.000 1.070 322 F HN 0.213 nan 8.300 nan 0.000 0.549 323 F N 1.255 121.172 119.950 -0.055 0.000 2.098 323 F HA -0.122 4.405 4.527 -0.000 0.000 0.294 323 F C 2.299 177.997 175.800 -0.170 0.000 1.107 323 F CA 1.457 59.390 58.000 -0.112 0.000 1.234 323 F CB -0.582 38.349 39.000 -0.116 0.000 1.002 323 F HN -0.190 nan 8.300 nan 0.000 0.472 324 E N 0.869 120.838 120.200 -0.385 0.000 2.219 324 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 324 E C 2.410 178.726 176.600 -0.473 0.000 0.998 324 E CA 1.255 57.378 56.400 -0.461 0.000 0.818 324 E CB -0.554 29.014 29.700 -0.220 0.000 0.741 324 E HN 0.501 nan 8.360 nan 0.000 0.477 325 L N 0.307 121.243 121.223 -0.480 0.000 2.095 325 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 325 L C 2.476 179.154 176.870 -0.320 0.000 1.080 325 L CA 1.191 55.683 54.840 -0.579 0.000 0.759 325 L CB -0.510 41.090 42.059 -0.766 0.000 0.914 325 L HN 0.082 nan 8.230 nan 0.000 0.439 326 T N -0.590 113.795 114.554 -0.281 0.000 2.708 326 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 326 T C 1.880 176.392 174.700 -0.313 0.000 1.037 326 T CA 1.601 63.579 62.100 -0.203 0.000 1.146 326 T CB -0.372 68.392 68.868 -0.172 0.000 0.865 326 T HN 0.175 nan 8.240 nan 0.000 0.435 327 V N 1.213 120.778 119.914 -0.582 0.000 2.407 327 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 327 V C 2.240 178.168 176.094 -0.277 0.000 1.055 327 V CA 1.446 63.377 62.300 -0.615 0.000 1.049 327 V CB -0.498 30.784 31.823 -0.903 0.000 0.662 327 V HN 0.374 nan 8.190 nan 0.000 0.455 328 L N 0.817 121.903 121.223 -0.229 0.000 2.027 328 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 328 L C 2.541 179.432 176.870 0.034 0.000 1.074 328 L CA 2.680 57.474 54.840 -0.077 0.000 0.745 328 L CB -0.989 41.021 42.059 -0.083 0.000 0.898 328 L HN 0.404 nan 8.230 nan 0.000 0.433 329 K N -0.761 119.699 120.400 0.099 0.000 2.113 329 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 329 K C 1.641 178.255 176.600 0.023 0.000 1.047 329 K CA 1.882 58.245 56.287 0.127 0.000 0.928 329 K CB -0.217 32.380 32.500 0.161 0.000 0.716 329 K HN 0.452 nan 8.250 nan 0.000 0.446 330 D N 0.922 121.304 120.400 -0.029 0.000 2.084 330 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 330 D C 1.961 178.233 176.300 -0.046 0.000 0.985 330 D CA 1.152 55.126 54.000 -0.044 0.000 0.826 330 D CB -0.197 40.563 40.800 -0.068 0.000 0.978 330 D HN 0.323 nan 8.370 nan 0.000 0.456 331 I N 0.919 121.459 120.570 -0.049 0.000 2.286 331 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 331 I C 2.156 178.209 176.117 -0.107 0.000 1.115 331 I CA 0.897 62.151 61.300 -0.077 0.000 1.392 331 I CB 0.044 38.004 38.000 -0.068 0.000 1.065 331 I HN -0.099 nan 8.210 nan 0.000 0.418 332 I N 0.674 121.216 120.570 -0.048 0.000 2.361 332 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 332 I C 2.423 178.535 176.117 -0.009 0.000 1.133 332 I CA 1.448 62.741 61.300 -0.011 0.000 1.413 332 I CB -0.709 37.336 38.000 0.076 0.000 1.073 332 I HN 0.337 nan 8.210 nan 0.000 0.424 333 G N 0.663 109.452 108.800 -0.019 0.000 2.441 333 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.212 333 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.212 333 G C 1.659 176.536 174.900 -0.038 0.000 1.164 333 G CA 0.114 45.209 45.100 -0.009 0.000 0.811 333 G HN 0.265 nan 8.290 nan 0.000 0.535 334 I N 0.221 120.749 120.570 -0.072 0.000 2.286 334 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 334 I C 2.827 178.872 176.117 -0.121 0.000 1.115 334 I CA 0.544 61.792 61.300 -0.087 0.000 1.392 334 I CB -0.285 37.657 38.000 -0.096 0.000 1.065 334 I HN 0.318 nan 8.210 nan 0.000 0.418 335 c N 0.133 118.605 118.600 -0.213 0.000 2.675 335 c HA -0.069 4.501 4.570 -0.000 0.000 0.285 335 c C 1.062 175.006 174.090 -0.243 0.000 1.282 335 c CA 0.189 56.300 56.329 -0.364 0.000 1.708 335 c CB -0.542 41.525 42.510 -0.738 0.000 2.134 335 c HN 0.268 nan 8.230 nan 0.000 0.494 336 Y N -0.054 120.250 120.300 0.007 0.000 2.419 336 Y HA 0.469 5.019 4.550 -0.000 0.000 0.328 336 Y C 1.122 177.030 175.900 0.013 0.000 1.162 336 Y CA -0.687 57.425 58.100 0.020 0.000 1.174 336 Y CB 0.260 38.748 38.460 0.046 0.000 1.228 336 Y HN 0.295 nan 8.280 nan 0.000 0.473 337 G N 0.872 109.781 108.800 0.181 0.000 3.356 337 G HA2 0.342 4.302 3.960 -0.000 0.000 0.239 337 G HA3 0.342 4.302 3.960 -0.000 0.000 0.239 337 G C 0.201 175.154 174.900 0.087 0.000 1.252 337 G CA 0.079 45.234 45.100 0.093 0.000 1.611 337 G HN 0.752 nan 8.290 nan 0.000 0.580 338 A N 0.389 123.283 122.820 0.125 0.000 2.340 338 A HA 0.761 5.081 4.320 -0.000 0.000 0.268 338 A C 0.479 178.088 177.584 0.041 0.000 1.100 338 A CA -0.114 51.980 52.037 0.095 0.000 0.803 338 A CB 0.822 19.920 19.000 0.163 0.000 1.043 338 A HN 0.284 nan 8.150 nan 0.000 0.488 339 T N 0.293 114.855 114.554 0.013 0.000 2.916 339 T HA 0.636 4.986 4.350 -0.000 0.000 0.292 339 T C -0.778 173.900 174.700 -0.037 0.000 1.055 339 T CA -0.506 61.593 62.100 -0.003 0.000 1.009 339 T CB 1.635 70.510 68.868 0.012 0.000 1.118 339 T HN 0.595 nan 8.240 nan 0.000 0.497 340 V N 2.212 122.079 119.914 -0.077 0.000 2.686 340 V HA 0.731 4.851 4.120 -0.000 0.000 0.306 340 V C -0.780 175.224 176.094 -0.149 0.000 1.065 340 V CA -1.018 61.172 62.300 -0.184 0.000 0.894 340 V CB 1.831 33.450 31.823 -0.339 0.000 1.004 340 V HN 1.004 nan 8.190 nan 0.000 0.424 341 K N 2.373 122.631 120.400 -0.237 0.000 2.543 341 K HA 0.742 5.062 4.320 -0.000 0.000 0.255 341 K C 0.069 176.543 176.600 -0.210 0.000 0.934 341 K CA -0.157 56.005 56.287 -0.209 0.000 0.810 341 K CB 2.095 34.364 32.500 -0.385 0.000 1.315 341 K HN 1.328 nan 8.250 nan 0.000 0.433 342 G N 2.310 111.164 108.800 0.090 0.000 2.148 342 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.157 342 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.157 342 G C -0.071 174.753 174.900 -0.127 0.000 1.012 342 G CA 0.020 45.167 45.100 0.077 0.000 0.677 342 G HN 0.475 nan 8.290 nan 0.000 0.506 343 M N 0.330 119.935 119.600 0.009 0.000 3.615 343 M HA 0.323 4.803 4.480 -0.000 0.000 0.484 343 M C -0.321 176.133 176.300 0.257 0.000 1.686 343 M CA 0.021 55.361 55.300 0.068 0.000 0.713 343 M CB 0.951 33.632 32.600 0.135 0.000 1.471 343 M HN 0.222 nan 8.290 nan 0.000 0.538 344 Q N 1.530 121.458 119.800 0.213 0.000 2.323 344 Q HA 0.512 4.852 4.340 -0.000 0.000 0.271 344 Q C -0.707 175.365 176.000 0.119 0.000 1.048 344 Q CA 0.017 55.954 55.803 0.223 0.000 0.792 344 Q CB 2.647 31.488 28.738 0.172 0.000 1.280 344 Q HN 0.376 nan 8.270 nan 0.000 0.441 345 S N 2.205 117.924 115.700 0.032 0.000 2.667 345 S HA 0.185 4.655 4.470 -0.000 0.000 0.304 345 S C 0.702 175.200 174.600 -0.171 0.000 1.135 345 S CA -0.665 57.471 58.200 -0.107 0.000 1.125 345 S CB 0.010 63.100 63.200 -0.183 0.000 0.996 345 S HN 0.690 nan 8.310 nan 0.000 0.474 346 Y N 2.535 122.786 120.300 -0.082 0.000 2.332 346 Y HA -0.042 4.508 4.550 -0.000 0.000 0.283 346 Y C 1.673 177.522 175.900 -0.085 0.000 1.186 346 Y CA 1.250 59.303 58.100 -0.079 0.000 1.266 346 Y CB -1.156 37.249 38.460 -0.090 0.000 0.973 346 Y HN 0.618 nan 8.280 nan 0.000 0.548 347 G N 1.497 109.907 108.800 -0.650 0.000 2.464 347 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.214 347 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.214 347 G C 1.462 176.218 174.900 -0.241 0.000 1.218 347 G CA 1.050 45.875 45.100 -0.457 0.000 0.794 347 G HN 0.473 nan 8.290 nan 0.000 0.542 348 L N 0.916 121.978 121.223 -0.267 0.000 2.129 348 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 348 L C 2.565 179.335 176.870 -0.166 0.000 1.087 348 L CA 2.166 56.859 54.840 -0.245 0.000 0.757 348 L CB -0.479 41.334 42.059 -0.410 0.000 0.896 348 L HN 0.415 nan 8.230 nan 0.000 0.434 349 E N -0.853 119.274 120.200 -0.121 0.000 2.046 349 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 349 E C 2.335 178.916 176.600 -0.032 0.000 0.982 349 E CA 0.959 57.328 56.400 -0.052 0.000 0.800 349 E CB -0.156 29.544 29.700 0.000 0.000 0.756 349 E HN 0.483 nan 8.360 nan 0.000 0.449 350 R N 0.514 121.002 120.500 -0.020 0.000 2.096 350 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 350 R C 2.467 178.753 176.300 -0.023 0.000 1.127 350 R CA 0.729 56.827 56.100 -0.004 0.000 0.968 350 R CB -0.235 30.081 30.300 0.027 0.000 0.861 350 R HN 0.098 nan 8.270 nan 0.000 0.440 351 L N 0.375 121.570 121.223 -0.047 0.000 1.994 351 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 351 L C 2.244 179.090 176.870 -0.039 0.000 1.071 351 L CA 2.142 56.956 54.840 -0.043 0.000 0.745 351 L CB -0.607 41.414 42.059 -0.063 0.000 0.892 351 L HN 0.135 nan 8.230 nan 0.000 0.431 352 A N -0.408 122.377 122.820 -0.058 0.000 1.883 352 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 352 A C 2.453 180.008 177.584 -0.049 0.000 1.186 352 A CA 2.130 54.127 52.037 -0.067 0.000 0.624 352 A CB -1.336 17.615 19.000 -0.082 0.000 0.822 352 A HN 0.625 nan 8.150 nan 0.000 0.444 353 A N -0.520 122.278 122.820 -0.036 0.000 1.865 353 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 353 A C 2.310 179.881 177.584 -0.022 0.000 1.191 353 A CA 2.014 54.033 52.037 -0.030 0.000 0.623 353 A CB -0.597 18.385 19.000 -0.029 0.000 0.826 353 A HN 0.543 nan 8.150 nan 0.000 0.444 354 M N -1.099 118.492 119.600 -0.015 0.000 2.086 354 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 354 M C 2.360 178.659 176.300 -0.001 0.000 1.067 354 M CA 1.703 57.001 55.300 -0.004 0.000 1.116 354 M CB -0.533 32.069 32.600 0.004 0.000 1.348 354 M HN 0.539 nan 8.290 nan 0.000 0.407 355 L N 0.263 121.484 121.223 -0.004 0.000 2.013 355 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 355 L C 2.579 179.449 176.870 0.001 0.000 1.073 355 L CA 1.385 56.228 54.840 0.005 0.000 0.753 355 L CB -0.177 41.885 42.059 0.006 0.000 0.890 355 L HN 0.306 nan 8.230 nan 0.000 0.432 356 M N -0.432 119.158 119.600 -0.017 0.000 2.117 356 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 356 M C 2.444 178.743 176.300 -0.002 0.000 1.065 356 M CA 1.817 57.107 55.300 -0.016 0.000 1.114 356 M CB -1.622 30.960 32.600 -0.029 0.000 1.361 356 M HN 0.433 nan 8.290 nan 0.000 0.408 357 A N -0.144 122.675 122.820 -0.002 0.000 2.186 357 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 357 A C 1.493 179.083 177.584 0.011 0.000 1.159 357 A CA 1.775 53.814 52.037 0.005 0.000 0.680 357 A CB -1.098 17.903 19.000 0.002 0.000 0.787 357 A HN 0.593 nan 8.150 nan 0.000 0.467 358 T N -2.690 111.871 114.554 0.013 0.000 3.255 358 T HA 0.540 4.890 4.350 -0.000 0.000 0.243 358 T C -0.535 174.178 174.700 0.022 0.000 1.057 358 T CA -0.228 61.882 62.100 0.017 0.000 1.121 358 T CB -0.132 68.747 68.868 0.018 0.000 1.104 358 T HN 0.504 nan 8.240 nan 0.000 0.571 359 V N 0.390 120.318 119.914 0.023 0.000 3.077 359 V HA 0.566 4.686 4.120 -0.000 0.000 0.299 359 V C -1.273 174.839 176.094 0.030 0.000 1.276 359 V CA -1.094 61.223 62.300 0.028 0.000 0.993 359 V CB 2.375 34.217 31.823 0.031 0.000 1.076 359 V HN 0.387 nan 8.190 nan 0.000 0.434 360 K N 5.512 125.933 120.400 0.034 0.000 2.021 360 K HA 0.205 4.525 4.320 -0.000 0.000 0.238 360 K C 1.157 177.782 176.600 0.041 0.000 1.149 360 K CA 0.188 56.499 56.287 0.039 0.000 1.105 360 K CB -0.007 32.520 32.500 0.046 0.000 1.246 360 K HN 0.591 nan 8.250 nan 0.000 0.307 361 M N 0.520 120.141 119.600 0.036 0.000 2.086 361 M HA -0.162 4.317 4.480 -0.000 0.000 0.261 361 M C 1.434 177.755 176.300 0.035 0.000 1.067 361 M CA 1.608 56.927 55.300 0.033 0.000 1.116 361 M CB -0.534 32.085 32.600 0.031 0.000 1.348 361 M HN 0.612 nan 8.290 nan 0.000 0.407 362 E N 0.157 120.382 120.200 0.043 0.000 2.510 362 E HA -0.168 4.182 4.350 -0.000 0.000 0.202 362 E C 0.941 177.575 176.600 0.056 0.000 1.072 362 E CA 0.537 56.965 56.400 0.046 0.000 0.883 362 E CB 0.168 29.899 29.700 0.053 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.293 119.945 120.200 0.065 0.000 2.810 363 E HA 0.069 4.419 4.350 -0.000 0.000 0.214 363 E C 1.297 177.937 176.600 0.067 0.000 0.980 363 E CA -0.177 56.294 56.400 0.119 0.000 1.159 363 E CB 0.351 30.148 29.700 0.162 0.000 1.047 363 E HN 0.248 nan 8.360 nan 0.000 0.484 364 L N -0.063 121.171 121.223 0.017 0.000 2.083 364 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 364 L C 2.100 178.956 176.870 -0.024 0.000 1.083 364 L CA 1.710 56.556 54.840 0.010 0.000 0.752 364 L CB -0.173 41.890 42.059 0.007 0.000 0.899 364 L HN 0.316 nan 8.230 nan 0.000 0.433 365 G N -1.661 107.074 108.800 -0.107 0.000 2.462 365 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 365 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 365 G C 1.174 175.976 174.900 -0.164 0.000 1.121 365 G CA 0.474 45.474 45.100 -0.166 0.000 0.758 365 G HN 0.491 nan 8.290 nan 0.000 0.559 366 H N -0.835 118.245 119.070 0.016 0.000 2.547 366 H HA 0.195 4.751 4.556 -0.000 0.000 0.266 366 H C 0.915 176.250 175.328 0.012 0.000 0.988 366 H CA -0.240 55.815 56.048 0.011 0.000 1.147 366 H CB 0.116 29.883 29.762 0.009 0.000 1.365 366 H HN 0.229 nan 8.280 nan 0.000 0.589 367 L N 1.108 122.386 121.223 0.093 0.000 2.488 367 L HA 0.159 4.499 4.340 -0.000 0.000 0.249 367 L C 1.191 178.090 176.870 0.048 0.000 1.151 367 L CA -0.326 54.554 54.840 0.066 0.000 0.806 367 L CB 0.850 42.940 42.059 0.052 0.000 1.261 367 L HN 0.150 nan 8.230 nan 0.000 0.484 368 T N -2.371 112.206 114.554 0.038 0.000 2.754 368 T HA 0.172 4.522 4.350 -0.000 0.000 0.286 368 T C 1.052 175.768 174.700 0.026 0.000 0.997 368 T CA 0.254 62.371 62.100 0.030 0.000 0.982 368 T CB 0.443 69.324 68.868 0.022 0.000 1.027 368 T HN 0.655 nan 8.240 nan 0.000 0.529 369 T N 0.246 114.814 114.554 0.022 0.000 2.639 369 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 369 T C 1.780 176.493 174.700 0.021 0.000 1.053 369 T CA 1.386 63.498 62.100 0.019 0.000 1.158 369 T CB -0.557 68.323 68.868 0.019 0.000 0.863 369 T HN 0.832 nan 8.240 nan 0.000 0.413 370 E N 0.811 121.023 120.200 0.021 0.000 2.097 370 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 370 E C 2.067 178.692 176.600 0.042 0.000 1.000 370 E CA 1.154 57.567 56.400 0.023 0.000 0.804 370 E CB 0.023 29.728 29.700 0.008 0.000 0.740 370 E HN 0.192 nan 8.360 nan 0.000 0.454 371 K N 0.347 120.770 120.400 0.039 0.000 2.148 371 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 371 K C 2.151 178.808 176.600 0.095 0.000 1.050 371 K CA 0.862 57.193 56.287 0.073 0.000 0.942 371 K CB -0.278 32.251 32.500 0.049 0.000 0.724 371 K HN 0.284 nan 8.250 nan 0.000 0.446 372 Q N 0.958 120.787 119.800 0.049 0.000 2.050 372 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 372 Q C 1.786 177.784 176.000 -0.002 0.000 0.980 372 Q CA 1.459 57.275 55.803 0.022 0.000 0.840 372 Q CB 0.189 28.931 28.738 0.006 0.000 0.898 372 Q HN 0.345 nan 8.270 nan 0.000 0.424 373 E N -0.446 119.754 120.200 -0.001 0.000 2.007 373 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 373 E C 1.809 178.374 176.600 -0.059 0.000 0.999 373 E CA 1.338 57.706 56.400 -0.053 0.000 0.811 373 E CB -0.451 29.230 29.700 -0.031 0.000 0.762 373 E HN 0.378 nan 8.360 nan 0.000 0.450 374 Y N 1.594 121.835 120.300 -0.099 0.000 2.132 374 Y HA -0.370 4.180 4.550 -0.000 0.000 0.280 374 Y C 2.097 177.944 175.900 -0.088 0.000 1.193 374 Y CA 1.700 59.747 58.100 -0.087 0.000 1.157 374 Y CB -0.526 37.908 38.460 -0.043 0.000 0.966 374 Y HN 0.062 nan 8.280 nan 0.000 0.511 375 A N -0.061 122.725 122.820 -0.058 0.000 1.828 375 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 375 A C 2.118 179.591 177.584 -0.184 0.000 1.203 375 A CA 1.974 53.938 52.037 -0.122 0.000 0.614 375 A CB -1.321 17.672 19.000 -0.012 0.000 0.844 375 A HN 0.424 nan 8.150 nan 0.000 0.445 376 L N -0.323 120.811 121.223 -0.148 0.000 2.079 376 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 376 L C 2.589 179.296 176.870 -0.271 0.000 1.081 376 L CA 1.922 56.663 54.840 -0.166 0.000 0.752 376 L CB -0.803 41.166 42.059 -0.149 0.000 0.896 376 L HN 0.404 nan 8.230 nan 0.000 0.433 377 R N -0.196 120.073 120.500 -0.385 0.000 2.122 377 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 377 R C 2.270 178.351 176.300 -0.365 0.000 1.129 377 R CA 2.371 58.123 56.100 -0.581 0.000 0.925 377 R CB -0.622 29.380 30.300 -0.497 0.000 0.850 377 R HN 0.426 nan 8.270 nan 0.000 0.431 378 L N -1.436 119.577 121.223 -0.350 0.000 2.275 378 L HA 0.134 4.474 4.340 -0.000 0.000 0.215 378 L C 2.133 178.912 176.870 -0.151 0.000 1.119 378 L CA 1.797 56.481 54.840 -0.260 0.000 0.790 378 L CB -0.480 41.330 42.059 -0.416 0.000 0.919 378 L HN 0.052 nan 8.230 nan 0.000 0.443 379 A N -0.023 122.709 122.820 -0.147 0.000 2.019 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 379 A C 2.272 179.871 177.584 0.025 0.000 1.164 379 A CA 2.147 54.151 52.037 -0.054 0.000 0.644 379 A CB -1.130 17.840 19.000 -0.051 0.000 0.805 379 A HN 0.561 nan 8.150 nan 0.000 0.449 380 T N -0.580 113.977 114.554 0.005 0.000 2.851 380 T HA -0.051 4.299 4.350 -0.000 0.000 0.262 380 T C 1.871 176.625 174.700 0.090 0.000 1.043 380 T CA 1.363 63.502 62.100 0.064 0.000 1.140 380 T CB -0.292 68.661 68.868 0.142 0.000 0.872 380 T HN 0.178 nan 8.240 nan 0.000 0.446 381 V N 1.350 121.308 119.914 0.073 0.000 2.407 381 V HA -0.041 4.079 4.120 -0.000 0.000 0.248 381 V C 2.685 178.808 176.094 0.048 0.000 1.055 381 V CA 1.972 64.311 62.300 0.065 0.000 1.049 381 V CB -1.037 30.806 31.823 0.033 0.000 0.662 381 V HN 0.591 nan 8.190 nan 0.000 0.455 382 G N -2.343 106.477 108.800 0.035 0.000 2.986 382 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.213 382 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.213 382 G C 1.266 176.203 174.900 0.061 0.000 1.156 382 G CA 0.198 45.313 45.100 0.026 0.000 0.763 382 G HN 0.487 nan 8.290 nan 0.000 0.547 383 Y N 2.668 122.954 120.300 -0.024 0.000 2.096 383 Y HA -0.198 4.351 4.550 -0.000 0.000 0.278 383 Y C 0.109 176.000 175.900 -0.016 0.000 1.192 383 Y CA 2.340 60.427 58.100 -0.022 0.000 1.143 383 Y CB -0.892 37.555 38.460 -0.022 0.000 0.963 383 Y HN 0.245 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.437 178.734 177.300 -0.005 0.000 1.193 384 P CA 1.949 65.114 63.100 0.108 0.000 0.929 384 P CB -0.090 31.685 31.700 0.125 0.000 0.772 385 K N -0.606 119.802 120.400 0.014 0.000 2.228 385 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 385 K C 0.801 177.383 176.600 -0.029 0.000 1.045 385 K CA 1.248 57.536 56.287 0.002 0.000 0.931 385 K CB -0.502 32.017 32.500 0.032 0.000 0.727 385 K HN 0.224 nan 8.250 nan 0.000 0.458 386 A N -2.400 120.382 122.820 -0.063 0.000 2.601 386 A HA 0.555 4.875 4.320 -0.000 0.000 0.291 386 A C -0.216 177.282 177.584 -0.144 0.000 1.075 386 A CA 0.021 52.010 52.037 -0.079 0.000 0.671 386 A CB 1.392 20.367 19.000 -0.041 0.000 1.277 386 A HN 0.168 nan 8.150 nan 0.000 0.417 387 G N -0.698 108.027 108.800 -0.126 0.000 2.327 387 G HA2 0.067 4.027 3.960 -0.000 0.000 0.159 387 G HA3 0.067 4.027 3.960 -0.000 0.000 0.159 387 G C 0.338 175.109 174.900 -0.214 0.000 1.056 387 G CA 0.225 45.230 45.100 -0.158 0.000 0.751 387 G HN 1.534 nan 8.290 nan 0.000 0.488 388 V N -1.187 118.647 119.914 -0.133 0.000 3.129 388 V HA 0.128 4.248 4.120 -0.000 0.000 0.259 388 V C 1.369 177.360 176.094 -0.173 0.000 1.116 388 V CA 1.617 63.824 62.300 -0.154 0.000 1.127 388 V CB -0.323 31.459 31.823 -0.069 0.000 0.742 388 V HN 0.525 nan 8.190 nan 0.000 0.474 389 Y N -0.670 119.583 120.300 -0.080 0.000 2.768 389 Y HA 0.426 4.976 4.550 -0.000 0.000 0.249 389 Y C 0.909 176.782 175.900 -0.044 0.000 1.146 389 Y CA -0.473 57.597 58.100 -0.050 0.000 1.171 389 Y CB 0.922 39.361 38.460 -0.035 0.000 1.249 389 Y HN 0.103 nan 8.280 nan 0.000 0.567 390 S N -0.355 115.375 115.700 0.050 0.000 2.554 390 S HA 0.480 4.950 4.470 -0.000 0.000 0.278 390 S C 1.073 175.683 174.600 0.017 0.000 1.242 390 S CA -0.129 58.088 58.200 0.029 0.000 1.051 390 S CB 0.877 64.070 63.200 -0.011 0.000 0.986 390 S HN 0.530 nan 8.310 nan 0.000 0.502 391 G N 4.506 113.326 108.800 0.033 0.000 3.263 391 G HA2 0.179 4.139 3.960 -0.000 0.000 0.246 391 G HA3 0.179 4.139 3.960 -0.000 0.000 0.246 391 G C 0.828 175.746 174.900 0.029 0.000 0.982 391 G CA -0.170 44.950 45.100 0.033 0.000 1.897 391 G HN 0.754 nan 8.290 nan 0.000 0.624 392 L N -0.164 121.074 121.223 0.025 0.000 2.005 392 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 392 L C 2.616 179.519 176.870 0.055 0.000 1.072 392 L CA 0.859 55.726 54.840 0.045 0.000 0.744 392 L CB -0.215 41.891 42.059 0.078 0.000 0.895 392 L HN 0.312 nan 8.230 nan 0.000 0.433 393 I N 0.117 120.723 120.570 0.060 0.000 2.335 393 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 393 I C 2.541 178.694 176.117 0.059 0.000 1.129 393 I CA 1.495 62.821 61.300 0.043 0.000 1.402 393 I CB -1.220 36.793 38.000 0.022 0.000 1.069 393 I HN 0.200 nan 8.210 nan 0.000 0.424 394 G N 0.500 109.332 108.800 0.053 0.000 2.421 394 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 394 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 394 G C 1.856 176.793 174.900 0.062 0.000 1.171 394 G CA 0.811 45.947 45.100 0.060 0.000 0.775 394 G HN 0.502 nan 8.290 nan 0.000 0.543 395 G N 1.117 109.946 108.800 0.048 0.000 2.440 395 G HA2 0.016 3.976 3.960 -0.000 0.000 0.218 395 G HA3 0.016 3.976 3.960 -0.000 0.000 0.218 395 G C 2.052 176.983 174.900 0.053 0.000 1.154 395 G CA 1.553 46.676 45.100 0.037 0.000 0.767 395 G HN 0.683 nan 8.290 nan 0.000 0.552 396 A N 0.114 122.980 122.820 0.077 0.000 1.972 396 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 396 A C 2.514 180.247 177.584 0.248 0.000 1.169 396 A CA 2.423 54.543 52.037 0.138 0.000 0.635 396 A CB -0.689 18.372 19.000 0.101 0.000 0.810 396 A HN 0.323 nan 8.150 nan 0.000 0.446 397 T N -0.552 114.128 114.554 0.210 0.000 2.770 397 T HA -0.066 4.284 4.350 -0.000 0.000 0.258 397 T C 2.284 177.017 174.700 0.055 0.000 1.039 397 T CA 1.432 63.641 62.100 0.181 0.000 1.143 397 T CB -0.333 68.632 68.868 0.163 0.000 0.866 397 T HN 0.453 nan 8.240 nan 0.000 0.428 398 S N 0.923 116.645 115.700 0.036 0.000 2.365 398 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 398 S C 2.240 176.809 174.600 -0.052 0.000 1.039 398 S CA 1.215 59.401 58.200 -0.023 0.000 1.033 398 S CB -0.732 62.449 63.200 -0.032 0.000 0.887 398 S HN 0.322 nan 8.310 nan 0.000 0.447 399 V N 1.776 121.676 119.914 -0.022 0.000 2.343 399 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 399 V C 2.056 178.134 176.094 -0.027 0.000 1.051 399 V CA 1.836 64.120 62.300 -0.027 0.000 1.036 399 V CB -0.398 31.422 31.823 -0.005 0.000 0.654 399 V HN 0.471 nan 8.190 nan 0.000 0.451 400 L N -0.185 121.017 121.223 -0.035 0.000 2.027 400 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 400 L C 2.216 179.058 176.870 -0.046 0.000 1.074 400 L CA 2.407 57.188 54.840 -0.099 0.000 0.745 400 L CB -1.014 40.838 42.059 -0.346 0.000 0.898 400 L HN 0.382 nan 8.230 nan 0.000 0.433 401 L N -0.518 120.687 121.223 -0.029 0.000 2.021 401 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 401 L C 2.536 179.427 176.870 0.036 0.000 1.074 401 L CA 2.281 57.142 54.840 0.035 0.000 0.760 401 L CB -1.047 41.023 42.059 0.017 0.000 0.889 401 L HN 0.384 nan 8.230 nan 0.000 0.433 402 S N -0.357 115.330 115.700 -0.023 0.000 2.359 402 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 402 S C 2.096 176.713 174.600 0.028 0.000 1.035 402 S CA 1.266 59.449 58.200 -0.028 0.000 1.018 402 S CB -0.781 62.378 63.200 -0.069 0.000 0.876 402 S HN 0.703 nan 8.310 nan 0.000 0.448 403 A N 0.979 123.828 122.820 0.049 0.000 1.892 403 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 403 A C 2.014 179.706 177.584 0.180 0.000 1.188 403 A CA 2.034 54.129 52.037 0.096 0.000 0.631 403 A CB -1.120 17.915 19.000 0.058 0.000 0.822 403 A HN 0.572 nan 8.150 nan 0.000 0.447 404 Y N 1.412 121.717 120.300 0.008 0.000 2.145 404 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 404 Y C 2.122 178.038 175.900 0.026 0.000 1.145 404 Y CA 1.721 59.834 58.100 0.021 0.000 1.148 404 Y CB -1.073 37.387 38.460 -0.001 0.000 0.981 404 Y HN 0.496 nan 8.280 nan 0.000 0.507 405 N N -0.262 118.366 118.700 -0.120 0.000 2.192 405 N HA -0.217 4.523 4.740 -0.000 0.000 0.188 405 N C 1.952 177.364 175.510 -0.163 0.000 1.013 405 N CA 0.811 53.717 53.050 -0.240 0.000 0.863 405 N CB -0.254 38.151 38.487 -0.137 0.000 0.990 405 N HN 0.272 nan 8.380 nan 0.000 0.430 406 R N 0.314 120.770 120.500 -0.073 0.000 2.307 406 R HA 0.039 4.379 4.340 -0.000 0.000 0.199 406 R C -0.185 175.925 176.300 -0.316 0.000 1.000 406 R CA 0.672 56.684 56.100 -0.146 0.000 1.023 406 R CB 0.174 30.421 30.300 -0.087 0.000 0.908 406 R HN 0.341 nan 8.270 nan 0.000 0.473 407 H N -1.616 117.444 119.070 -0.016 0.000 2.941 407 H HA 0.293 4.849 4.556 -0.000 0.000 0.344 407 H C -2.367 172.988 175.328 0.045 0.000 1.235 407 H CA -1.731 54.333 56.048 0.026 0.000 1.149 407 H CB 2.269 32.061 29.762 0.050 0.000 1.885 407 H HN -0.107 nan 8.280 nan 0.000 0.558 408 P HA 0.208 nan 4.420 nan 0.000 0.208 408 P C -0.886 176.573 177.300 0.265 0.000 1.863 408 P CA -0.276 62.936 63.100 0.187 0.000 1.037 408 P CB -0.371 31.418 31.700 0.148 0.000 1.881 409 L N 0.501 121.930 121.223 0.343 0.000 3.601 409 L HA -0.229 4.110 4.340 -0.000 0.000 0.469 409 L C -0.271 176.774 176.870 0.291 0.000 1.294 409 L CA 0.754 55.766 54.840 0.287 0.000 0.829 409 L CB -2.624 39.572 42.059 0.228 0.000 1.628 409 L HN 0.335 nan 8.230 nan 0.000 0.868 410 F N -0.319 119.666 119.950 0.058 0.000 2.625 410 F HA 0.349 4.876 4.527 -0.000 0.000 0.311 410 F C -1.109 174.636 175.800 -0.092 0.000 0.999 410 F CA -0.665 57.322 58.000 -0.022 0.000 1.056 410 F CB 0.833 39.822 39.000 -0.018 0.000 1.311 410 F HN 0.020 nan 8.300 nan 0.000 0.548 411 Q N 6.193 125.490 119.800 -0.838 0.000 2.245 411 Q HA 0.460 4.800 4.340 -0.000 0.000 0.256 411 Q C -2.548 172.746 176.000 -1.177 0.000 0.942 411 Q CA -2.078 53.228 55.803 -0.828 0.000 0.896 411 Q CB 1.574 30.074 28.738 -0.397 0.000 1.272 411 Q HN 0.364 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.843 177.897 177.300 -0.409 0.000 1.173 412 P CA 0.324 63.113 63.100 -0.518 0.000 0.760 412 P CB 0.496 32.039 31.700 -0.261 0.000 0.783 413 L N 2.676 123.727 121.223 -0.287 0.000 2.137 413 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 413 L C 0.901 177.461 176.870 -0.517 0.000 1.085 413 L CA 1.567 56.218 54.840 -0.315 0.000 0.760 413 L CB -0.287 41.656 42.059 -0.193 0.000 0.893 413 L HN 0.570 nan 8.230 nan 0.000 0.434 414 H N -1.603 117.442 119.070 -0.041 0.000 2.616 414 H HA 0.193 4.749 4.556 -0.000 0.000 0.229 414 H C -0.305 175.007 175.328 -0.027 0.000 1.418 414 H CA -0.144 55.892 56.048 -0.021 0.000 1.248 414 H CB 0.630 30.392 29.762 -0.000 0.000 1.822 414 H HN -0.034 nan 8.280 nan 0.000 0.522 415 T N -0.499 114.064 114.554 0.015 0.000 2.918 415 T HA 0.145 4.495 4.350 -0.000 0.000 0.283 415 T C 1.526 176.237 174.700 0.018 0.000 1.001 415 T CA -0.243 61.858 62.100 0.001 0.000 1.041 415 T CB 1.738 70.567 68.868 -0.064 0.000 1.028 415 T HN 0.176 nan 8.240 nan 0.000 0.511 416 V N 4.979 124.907 119.914 0.023 0.000 2.490 416 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 416 V C 2.185 178.286 176.094 0.012 0.000 1.061 416 V CA 2.492 64.807 62.300 0.025 0.000 1.064 416 V CB -0.692 31.146 31.823 0.026 0.000 0.670 416 V HN 0.993 nan 8.190 nan 0.000 0.461 417 M N -0.516 119.084 119.600 0.000 0.000 2.349 417 M HA -0.083 4.397 4.480 -0.000 0.000 0.266 417 M C 2.199 178.484 176.300 -0.025 0.000 1.076 417 M CA 1.823 57.117 55.300 -0.010 0.000 1.126 417 M CB -0.186 32.412 32.600 -0.003 0.000 1.392 417 M HN 0.337 nan 8.290 nan 0.000 0.440 418 R N 0.599 121.084 120.500 -0.026 0.000 2.083 418 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 418 R C 1.922 178.196 176.300 -0.042 0.000 1.137 418 R CA 2.276 58.371 56.100 -0.008 0.000 0.951 418 R CB -0.374 29.924 30.300 -0.003 0.000 0.851 418 R HN 0.425 nan 8.270 nan 0.000 0.434 419 E N -0.602 119.597 120.200 -0.002 0.000 2.160 419 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 419 E C 1.472 178.075 176.600 0.006 0.000 0.991 419 E CA 2.189 58.614 56.400 0.042 0.000 0.810 419 E CB -0.242 29.501 29.700 0.071 0.000 0.742 419 E HN 0.423 nan 8.360 nan 0.000 0.466 420 T N 0.517 115.041 114.554 -0.049 0.000 2.668 420 T HA -0.125 4.225 4.350 -0.000 0.000 0.262 420 T C 1.659 176.268 174.700 -0.150 0.000 1.045 420 T CA 1.424 63.474 62.100 -0.085 0.000 1.152 420 T CB -0.364 68.472 68.868 -0.053 0.000 0.864 420 T HN 0.087 nan 8.240 nan 0.000 0.419 421 L N 0.611 121.728 121.223 -0.178 0.000 2.129 421 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 421 L C 2.066 178.604 176.870 -0.554 0.000 1.087 421 L CA 1.350 56.064 54.840 -0.211 0.000 0.757 421 L CB -0.965 41.064 42.059 -0.050 0.000 0.896 421 L HN 0.229 nan 8.230 nan 0.000 0.434 422 F N 0.187 119.468 119.950 -1.115 0.000 2.146 422 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 422 F C 2.257 177.848 175.800 -0.347 0.000 1.096 422 F CA 1.324 58.620 58.000 -1.173 0.000 1.275 422 F CB -0.313 38.225 39.000 -0.769 0.000 1.008 422 F HN -0.020 nan 8.300 nan 0.000 0.480 423 I N 0.308 120.644 120.570 -0.390 0.000 2.226 423 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 423 I C 2.727 178.717 176.117 -0.211 0.000 1.100 423 I CA 1.409 62.530 61.300 -0.300 0.000 1.374 423 I CB -1.378 36.345 38.000 -0.462 0.000 1.057 423 I HN 0.316 nan 8.210 nan 0.000 0.413 424 G N 0.633 109.320 108.800 -0.188 0.000 2.408 424 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 424 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 424 G C 1.815 176.651 174.900 -0.106 0.000 1.150 424 G CA 0.941 45.989 45.100 -0.087 0.000 0.776 424 G HN 0.494 nan 8.290 nan 0.000 0.542 425 S N 0.497 116.121 115.700 -0.127 0.000 2.392 425 S HA -0.280 4.190 4.470 -0.000 0.000 0.232 425 S C 2.091 176.542 174.600 -0.247 0.000 1.041 425 S CA 1.784 59.892 58.200 -0.153 0.000 1.026 425 S CB -0.847 62.391 63.200 0.063 0.000 0.845 425 S HN 0.520 nan 8.310 nan 0.000 0.465 426 H N 0.457 119.427 119.070 -0.167 0.000 2.290 426 H HA -0.023 4.533 4.556 -0.000 0.000 0.298 426 H C 2.499 177.688 175.328 -0.231 0.000 1.087 426 H CA 1.688 57.628 56.048 -0.180 0.000 1.291 426 H CB -1.001 28.667 29.762 -0.157 0.000 1.369 426 H HN 0.404 nan 8.280 nan 0.000 0.492 427 V N 1.204 121.061 119.914 -0.095 0.000 2.913 427 V HA -0.133 3.987 4.120 -0.000 0.000 0.260 427 V C 2.211 178.154 176.094 -0.252 0.000 1.098 427 V CA 0.855 63.025 62.300 -0.216 0.000 1.121 427 V CB -0.424 31.350 31.823 -0.080 0.000 0.714 427 V HN 0.133 nan 8.190 nan 0.000 0.487 428 V N -0.762 118.995 119.914 -0.262 0.000 2.426 428 V HA -0.070 4.050 4.120 -0.000 0.000 0.242 428 V C 2.232 178.170 176.094 -0.260 0.000 1.036 428 V CA 1.524 63.627 62.300 -0.328 0.000 1.044 428 V CB -0.353 31.072 31.823 -0.664 0.000 0.688 428 V HN 0.514 nan 8.190 nan 0.000 0.462 429 L N 0.381 121.469 121.223 -0.224 0.000 1.989 429 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 429 L C 2.617 179.395 176.870 -0.155 0.000 1.071 429 L CA 2.070 56.819 54.840 -0.151 0.000 0.749 429 L CB -0.654 41.343 42.059 -0.103 0.000 0.890 429 L HN 0.151 nan 8.230 nan 0.000 0.431 430 R N -0.832 119.536 120.500 -0.220 0.000 2.119 430 R HA -0.270 4.070 4.340 -0.000 0.000 0.246 430 R C 2.269 178.453 176.300 -0.193 0.000 1.146 430 R CA 1.914 57.848 56.100 -0.276 0.000 0.962 430 R CB -0.244 29.712 30.300 -0.574 0.000 0.863 430 R HN 0.444 nan 8.270 nan 0.000 0.442 431 E N 0.525 120.613 120.200 -0.186 0.000 2.031 431 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 431 E C 1.943 178.514 176.600 -0.047 0.000 0.994 431 E CA 1.383 57.759 56.400 -0.040 0.000 0.800 431 E CB -0.313 29.361 29.700 -0.043 0.000 0.752 431 E HN 0.284 nan 8.360 nan 0.000 0.447 432 L N 0.342 121.527 121.223 -0.063 0.000 2.013 432 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 432 L C 2.592 179.511 176.870 0.082 0.000 1.073 432 L CA 1.576 56.432 54.840 0.027 0.000 0.753 432 L CB -0.473 41.584 42.059 -0.004 0.000 0.890 432 L HN 0.085 nan 8.230 nan 0.000 0.432 433 R N -0.222 120.266 120.500 -0.020 0.000 2.211 433 R HA -0.079 4.261 4.340 -0.000 0.000 0.240 433 R C 0.737 177.026 176.300 -0.018 0.000 1.144 433 R CA 0.653 56.716 56.100 -0.062 0.000 0.992 433 R CB -0.931 29.320 30.300 -0.082 0.000 0.869 433 R HN 0.179 nan 8.270 nan 0.000 0.462 434 L N 1.715 122.978 121.223 0.067 0.000 2.470 434 L HA -0.024 4.316 4.340 -0.000 0.000 0.243 434 L C 1.525 178.505 176.870 0.182 0.000 1.227 434 L CA 0.665 55.562 54.840 0.095 0.000 0.824 434 L CB 0.189 42.300 42.059 0.087 0.000 1.175 434 L HN 0.229 nan 8.230 nan 0.000 0.503 435 N N -1.192 117.586 118.700 0.129 0.000 2.177 435 N HA 0.036 4.776 4.740 -0.000 0.000 0.218 435 N C -0.742 174.887 175.510 0.198 0.000 1.182 435 N CA -0.007 53.122 53.050 0.132 0.000 0.882 435 N CB 0.426 38.942 38.487 0.048 0.000 1.052 435 N HN 0.217 nan 8.380 nan 0.000 0.519 436 V N 2.432 122.443 119.914 0.161 0.000 2.320 436 V HA 0.175 4.295 4.120 -0.000 0.000 0.265 436 V C 0.573 176.691 176.094 0.041 0.000 1.048 436 V CA -0.629 61.717 62.300 0.077 0.000 0.865 436 V CB 0.224 32.043 31.823 -0.008 0.000 1.043 436 V HN 0.252 nan 8.190 nan 0.000 0.474 437 T N 1.474 116.085 114.554 0.094 0.000 3.826 437 T HA 0.122 4.472 4.350 -0.000 0.000 0.239 437 T C 0.399 175.062 174.700 -0.062 0.000 1.007 437 T CA -0.234 61.876 62.100 0.017 0.000 1.171 437 T CB -1.026 67.924 68.868 0.137 0.000 1.153 437 T HN 0.622 nan 8.240 nan 0.000 0.854 438 T N 3.627 118.096 114.554 -0.142 0.000 2.779 438 T HA 0.367 4.717 4.350 -0.000 0.000 0.280 438 T C 0.364 174.994 174.700 -0.116 0.000 0.987 438 T CA -0.895 61.125 62.100 -0.132 0.000 0.966 438 T CB 1.292 70.040 68.868 -0.201 0.000 0.933 438 T HN 0.627 nan 8.240 nan 0.000 0.442 439 Q N 0.589 120.353 119.800 -0.061 0.000 2.494 439 Q HA -0.221 4.119 4.340 -0.000 0.000 0.266 439 Q C 1.575 177.555 176.000 -0.033 0.000 1.053 439 Q CA 0.595 56.380 55.803 -0.029 0.000 1.029 439 Q CB -1.967 26.754 28.738 -0.028 0.000 1.423 439 Q HN 1.024 nan 8.270 nan 0.000 0.516 440 G N 1.229 110.003 108.800 -0.044 0.000 2.476 440 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 440 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 440 G C -0.951 173.963 174.900 0.023 0.000 1.164 440 G CA 1.395 46.478 45.100 -0.029 0.000 0.768 440 G HN 0.364 nan 8.290 nan 0.000 0.560 441 P HA -0.091 nan 4.420 nan 0.000 0.215 441 P C 1.540 178.876 177.300 0.060 0.000 1.157 441 P CA 1.375 64.507 63.100 0.054 0.000 0.863 441 P CB -0.068 31.665 31.700 0.055 0.000 0.787 442 N N -0.864 117.869 118.700 0.055 0.000 2.309 442 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 442 N C 1.541 177.102 175.510 0.086 0.000 1.018 442 N CA 0.665 53.756 53.050 0.069 0.000 0.876 442 N CB -0.696 37.826 38.487 0.058 0.000 0.972 442 N HN 0.036 nan 8.380 nan 0.000 0.434 443 L N -0.555 120.703 121.223 0.059 0.000 2.127 443 L HA 0.224 4.564 4.340 -0.000 0.000 0.203 443 L C 2.103 179.034 176.870 0.102 0.000 1.080 443 L CA 1.097 55.975 54.840 0.063 0.000 0.768 443 L CB -0.552 41.495 42.059 -0.019 0.000 0.924 443 L HN 0.121 nan 8.230 nan 0.000 0.444 444 A N 0.223 123.091 122.820 0.081 0.000 1.948 444 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 444 A C 2.194 179.828 177.584 0.084 0.000 1.177 444 A CA 2.101 54.191 52.037 0.088 0.000 0.636 444 A CB -1.020 18.027 19.000 0.078 0.000 0.815 444 A HN 0.543 nan 8.150 nan 0.000 0.449 445 L N -1.534 119.741 121.223 0.086 0.000 1.989 445 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 445 L C 2.262 179.185 176.870 0.088 0.000 1.071 445 L CA 2.572 57.453 54.840 0.069 0.000 0.749 445 L CB -1.108 41.009 42.059 0.096 0.000 0.890 445 L HN 0.503 nan 8.230 nan 0.000 0.431 446 Y N 0.184 120.496 120.300 0.020 0.000 2.139 446 Y HA -0.373 4.177 4.550 -0.000 0.000 0.282 446 Y C 2.632 178.530 175.900 -0.003 0.000 1.179 446 Y CA 2.361 60.471 58.100 0.016 0.000 1.161 446 Y CB -0.092 38.379 38.460 0.019 0.000 0.970 446 Y HN 0.433 nan 8.280 nan 0.000 0.511 447 Q N -0.630 119.323 119.800 0.255 0.000 2.050 447 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 447 Q C 2.218 178.238 176.000 0.032 0.000 0.980 447 Q CA 1.625 57.519 55.803 0.151 0.000 0.840 447 Q CB -0.459 28.350 28.738 0.119 0.000 0.898 447 Q HN 0.499 nan 8.270 nan 0.000 0.424 448 L N 1.120 122.339 121.223 -0.008 0.000 1.989 448 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 448 L C 2.084 178.880 176.870 -0.123 0.000 1.071 448 L CA 1.699 56.486 54.840 -0.088 0.000 0.749 448 L CB -0.660 41.287 42.059 -0.186 0.000 0.890 448 L HN 0.184 nan 8.230 nan 0.000 0.431 449 L N -0.675 120.464 121.223 -0.139 0.000 1.971 449 L HA -0.273 4.067 4.340 -0.000 0.000 0.215 449 L C 2.673 179.332 176.870 -0.351 0.000 1.072 449 L CA 1.906 56.571 54.840 -0.292 0.000 0.758 449 L CB -1.245 40.656 42.059 -0.263 0.000 0.889 449 L HN 0.512 nan 8.230 nan 0.000 0.433 450 S N -1.256 114.305 115.700 -0.231 0.000 2.387 450 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 450 S C 1.907 176.420 174.600 -0.145 0.000 1.035 450 S CA 1.891 59.996 58.200 -0.159 0.000 1.014 450 S CB -1.074 62.118 63.200 -0.013 0.000 0.836 450 S HN 0.405 nan 8.310 nan 0.000 0.466 451 T N 2.907 117.389 114.554 -0.121 0.000 2.652 451 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 451 T C 2.259 176.896 174.700 -0.104 0.000 1.039 451 T CA 1.571 63.605 62.100 -0.110 0.000 1.153 451 T CB -0.915 67.898 68.868 -0.091 0.000 0.863 451 T HN 0.640 nan 8.240 nan 0.000 0.428 452 A N 1.067 123.810 122.820 -0.129 0.000 1.908 452 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 452 A C 2.278 179.800 177.584 -0.103 0.000 1.181 452 A CA 1.283 53.263 52.037 -0.095 0.000 0.627 452 A CB -0.921 18.002 19.000 -0.129 0.000 0.818 452 A HN 0.482 nan 8.150 nan 0.000 0.445 453 L N -1.078 120.027 121.223 -0.197 0.000 2.265 453 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 453 L C 1.820 178.659 176.870 -0.051 0.000 1.117 453 L CA 0.517 55.286 54.840 -0.117 0.000 0.782 453 L CB -0.338 41.621 42.059 -0.165 0.000 0.914 453 L HN 0.541 nan 8.230 nan 0.000 0.441 454 c N 1.121 119.677 118.600 -0.074 0.000 2.694 454 c HA 0.176 4.746 4.570 -0.000 0.000 0.455 454 c C 1.645 175.716 174.090 -0.032 0.000 1.293 454 c CA -0.890 55.404 56.329 -0.058 0.000 1.614 454 c CB -2.332 40.133 42.510 -0.075 0.000 2.015 454 c HN 0.458 nan 8.230 nan 0.000 0.608 455 S N 0.878 116.574 115.700 -0.006 0.000 2.624 455 S HA 0.481 4.951 4.470 -0.000 0.000 0.263 455 S C 1.414 175.985 174.600 -0.048 0.000 1.287 455 S CA 0.160 58.358 58.200 -0.003 0.000 0.990 455 S CB 1.149 64.375 63.200 0.043 0.000 0.950 455 S HN 0.792 nan 8.310 nan 0.000 0.561 456 A N 0.658 123.438 122.820 -0.067 0.000 2.024 456 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 456 A C 2.025 179.514 177.584 -0.158 0.000 1.164 456 A CA 1.507 53.480 52.037 -0.106 0.000 0.643 456 A CB -0.969 17.964 19.000 -0.111 0.000 0.806 456 A HN 0.843 nan 8.150 nan 0.000 0.451 457 L N -0.279 120.837 121.223 -0.178 0.000 2.027 457 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 457 L C 2.346 178.968 176.870 -0.415 0.000 1.074 457 L CA 2.572 57.207 54.840 -0.341 0.000 0.745 457 L CB -0.566 41.269 42.059 -0.373 0.000 0.898 457 L HN 0.564 nan 8.230 nan 0.000 0.433 458 E N 0.190 120.295 120.200 -0.158 0.000 2.001 458 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 458 E C 2.249 178.783 176.600 -0.110 0.000 1.002 458 E CA 2.206 58.639 56.400 0.054 0.000 0.819 458 E CB -0.780 28.985 29.700 0.108 0.000 0.769 458 E HN 0.463 nan 8.360 nan 0.000 0.454 459 I N 0.016 120.492 120.570 -0.158 0.000 2.381 459 I HA -0.234 3.936 4.170 -0.000 0.000 0.255 459 I C 1.944 177.876 176.117 -0.308 0.000 1.140 459 I CA 1.872 63.004 61.300 -0.279 0.000 1.404 459 I CB -0.451 37.442 38.000 -0.178 0.000 1.075 459 I HN 0.342 nan 8.210 nan 0.000 0.433 460 G N -0.118 108.541 108.800 -0.235 0.000 2.404 460 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 460 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 460 G C 1.472 176.245 174.900 -0.212 0.000 1.189 460 G CA 0.281 45.249 45.100 -0.220 0.000 0.789 460 G HN 0.314 nan 8.290 nan 0.000 0.533 461 E N 0.470 120.539 120.200 -0.218 0.000 2.110 461 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 461 E C 2.855 179.389 176.600 -0.110 0.000 0.988 461 E CA 0.463 56.778 56.400 -0.140 0.000 0.804 461 E CB -0.475 29.175 29.700 -0.083 0.000 0.745 461 E HN 0.266 nan 8.360 nan 0.000 0.458 462 V N 1.140 120.954 119.914 -0.166 0.000 2.332 462 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 462 V C 2.397 178.357 176.094 -0.223 0.000 1.055 462 V CA 1.302 63.473 62.300 -0.216 0.000 1.038 462 V CB -0.428 31.157 31.823 -0.396 0.000 0.651 462 V HN 0.159 nan 8.190 nan 0.000 0.450 463 L N -0.248 120.806 121.223 -0.281 0.000 2.017 463 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 463 L C 2.556 179.362 176.870 -0.108 0.000 1.073 463 L CA 2.089 56.808 54.840 -0.201 0.000 0.745 463 L CB -1.062 40.875 42.059 -0.203 0.000 0.894 463 L HN 0.310 nan 8.230 nan 0.000 0.432 464 R N -0.041 120.398 120.500 -0.102 0.000 2.112 464 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 464 R C 2.208 178.490 176.300 -0.030 0.000 1.137 464 R CA 2.022 58.086 56.100 -0.061 0.000 0.944 464 R CB -1.302 28.962 30.300 -0.061 0.000 0.857 464 R HN 0.366 nan 8.270 nan 0.000 0.435 465 G N 0.347 109.132 108.800 -0.026 0.000 2.440 465 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 465 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 465 G C 1.530 176.441 174.900 0.019 0.000 1.154 465 G CA 1.008 46.116 45.100 0.013 0.000 0.767 465 G HN 0.316 nan 8.290 nan 0.000 0.552 466 L N 0.631 121.853 121.223 -0.000 0.000 2.012 466 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 466 L C 3.452 180.332 176.870 0.017 0.000 1.073 466 L CA 1.250 56.101 54.840 0.018 0.000 0.748 466 L CB -0.452 41.617 42.059 0.017 0.000 0.891 466 L HN 0.325 nan 8.230 nan 0.000 0.431 467 A N -0.110 122.711 122.820 0.002 0.000 1.877 467 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 467 A C 2.133 179.723 177.584 0.010 0.000 1.186 467 A CA 1.448 53.487 52.037 0.003 0.000 0.620 467 A CB -0.744 18.250 19.000 -0.009 0.000 0.822 467 A HN 0.394 nan 8.150 nan 0.000 0.443 468 L N -0.905 120.325 121.223 0.012 0.000 2.552 468 L HA 0.107 4.447 4.340 -0.000 0.000 0.227 468 L C 1.667 178.554 176.870 0.028 0.000 1.146 468 L CA 0.501 55.352 54.840 0.018 0.000 0.858 468 L CB -0.410 41.661 42.059 0.020 0.000 0.969 468 L HN 0.635 nan 8.230 nan 0.000 0.451 469 G N 0.186 109.006 108.800 0.033 0.000 2.160 469 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.251 469 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.251 469 G C 0.929 175.862 174.900 0.055 0.000 1.008 469 G CA 0.742 45.867 45.100 0.041 0.000 0.724 469 G HN 0.424 nan 8.290 nan 0.000 0.514 470 T N -3.073 111.527 114.554 0.076 0.000 2.976 470 T HA 0.322 4.672 4.350 -0.000 0.000 0.257 470 T C 0.835 175.656 174.700 0.202 0.000 1.051 470 T CA 1.348 63.518 62.100 0.118 0.000 1.141 470 T CB 0.422 69.383 68.868 0.155 0.000 0.881 470 T HN 0.415 nan 8.240 nan 0.000 0.461 471 E N 1.724 122.023 120.200 0.164 0.000 2.175 471 E HA 0.463 4.813 4.350 -0.000 0.000 0.278 471 E C 1.093 177.750 176.600 0.096 0.000 0.969 471 E CA -0.220 56.268 56.400 0.147 0.000 0.796 471 E CB 1.808 31.527 29.700 0.033 0.000 1.104 471 E HN 0.246 nan 8.360 nan 0.000 0.395 472 S N 3.099 118.855 115.700 0.093 0.000 2.406 472 S HA 0.105 4.575 4.470 -0.000 0.000 0.228 472 S C 1.513 176.154 174.600 0.069 0.000 1.020 472 S CA 0.419 58.656 58.200 0.061 0.000 0.965 472 S CB -0.377 62.844 63.200 0.035 0.000 0.798 472 S HN 1.168 nan 8.310 nan 0.000 0.488 473 G N 0.811 109.663 108.800 0.086 0.000 2.132 473 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 473 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 473 G C 0.376 175.388 174.900 0.187 0.000 1.000 473 G CA 0.330 45.524 45.100 0.158 0.000 0.693 473 G HN 0.603 nan 8.290 nan 0.000 0.515 474 L N -0.627 120.645 121.223 0.082 0.000 2.046 474 L HA 0.547 4.887 4.340 -0.000 0.000 0.208 474 L C 0.972 177.950 176.870 0.180 0.000 1.077 474 L CA 2.226 57.073 54.840 0.011 0.000 0.747 474 L CB -0.184 41.745 42.059 -0.217 0.000 0.896 474 L HN 0.589 nan 8.230 nan 0.000 0.432 475 F N -0.996 118.957 119.950 0.005 0.000 2.599 475 F HA 0.598 5.125 4.527 -0.000 0.000 0.311 475 F C -0.645 175.117 175.800 -0.062 0.000 1.076 475 F CA -0.298 57.780 58.000 0.130 0.000 0.937 475 F CB 1.593 40.599 39.000 0.011 0.000 1.282 475 F HN -0.185 nan 8.300 nan 0.000 0.460 476 S N 4.712 119.418 115.700 -1.656 0.000 2.560 476 S HA 0.374 4.844 4.470 -0.000 0.000 0.283 476 S C -2.566 171.191 174.600 -1.406 0.000 1.141 476 S CA -1.008 56.345 58.200 -1.413 0.000 0.902 476 S CB 1.894 64.507 63.200 -0.978 0.000 1.104 476 S HN 0.487 nan 8.310 nan 0.000 0.454 477 P HA 0.019 nan 4.420 nan 0.000 0.226 477 P C 1.255 178.393 177.300 -0.271 0.000 1.146 477 P CA 0.752 63.625 63.100 -0.378 0.000 0.773 477 P CB -0.420 31.169 31.700 -0.186 0.000 0.772 478 c N -1.781 116.603 118.600 -0.361 0.000 2.457 478 c HA -0.074 4.496 4.570 -0.000 0.000 0.278 478 c C 2.470 176.491 174.090 -0.115 0.000 1.309 478 c CA 0.281 56.486 56.329 -0.207 0.000 1.735 478 c CB -2.126 40.315 42.510 -0.115 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.973 121.173 120.300 -0.167 0.000 2.446 479 Y HA -0.068 4.482 4.550 -0.000 0.000 0.287 479 Y C 1.785 177.648 175.900 -0.062 0.000 1.159 479 Y CA 1.029 59.048 58.100 -0.134 0.000 1.297 479 Y CB -0.735 37.648 38.460 -0.128 0.000 0.974 479 Y HN 0.302 nan 8.280 nan 0.000 0.557 480 L N -1.956 119.326 121.223 0.099 0.000 3.039 480 L HA 0.184 4.524 4.340 -0.000 0.000 0.269 480 L C 1.037 177.939 176.870 0.053 0.000 1.169 480 L CA 0.009 54.905 54.840 0.093 0.000 0.986 480 L CB -0.141 42.002 42.059 0.141 0.000 1.377 480 L HN -0.084 nan 8.230 nan 0.000 0.575 481 S N 0.198 115.887 115.700 -0.018 0.000 2.589 481 S HA 0.240 4.710 4.470 -0.000 0.000 0.265 481 S C 0.587 175.059 174.600 -0.214 0.000 1.342 481 S CA -0.225 57.920 58.200 -0.092 0.000 1.005 481 S CB 0.454 63.576 63.200 -0.131 0.000 0.909 481 S HN 0.222 nan 8.310 nan 0.000 0.555 482 L N 0.865 121.921 121.223 -0.279 0.000 2.912 482 L HA 0.338 4.678 4.340 -0.000 0.000 0.240 482 L C 1.069 177.383 176.870 -0.926 0.000 1.262 482 L CA -0.152 54.352 54.840 -0.559 0.000 1.058 482 L CB -0.253 41.756 42.059 -0.083 0.000 1.383 482 L HN 0.574 nan 8.230 nan 0.000 0.512 483 R N 0.999 121.042 120.500 -0.762 0.000 2.369 483 R HA 0.204 4.544 4.340 -0.000 0.000 0.310 483 R C -0.500 175.524 176.300 -0.461 0.000 1.141 483 R CA -0.423 55.394 56.100 -0.470 0.000 1.116 483 R CB 0.200 30.377 30.300 -0.204 0.000 1.135 483 R HN 0.103 nan 8.270 nan 0.000 0.529 484 F N 1.192 121.181 119.950 0.065 0.000 2.713 484 F HA 0.132 4.659 4.527 -0.000 0.000 0.294 484 F C 1.415 177.248 175.800 0.054 0.000 1.152 484 F CA -0.477 57.559 58.000 0.061 0.000 1.385 484 F CB 0.187 39.229 39.000 0.071 0.000 0.981 484 F HN 0.422 nan 8.300 nan 0.000 0.514 485 D N 0.861 121.337 120.400 0.126 0.000 2.240 485 D HA -0.033 4.607 4.640 -0.000 0.000 0.206 485 D C 0.712 177.061 176.300 0.083 0.000 0.963 485 D CA 0.460 54.519 54.000 0.100 0.000 0.863 485 D CB 0.129 40.965 40.800 0.061 0.000 0.973 485 D HN 0.114 nan 8.370 nan 0.000 0.501 486 L N 1.637 122.907 121.223 0.079 0.000 2.500 486 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 486 L C 0.594 177.521 176.870 0.095 0.000 1.149 486 L CA -0.211 54.680 54.840 0.086 0.000 0.897 486 L CB -0.415 41.714 42.059 0.117 0.000 1.178 486 L HN 0.033 nan 8.230 nan 0.000 0.473 487 T N -0.420 114.180 114.554 0.076 0.000 2.807 487 T HA 0.532 4.882 4.350 -0.000 0.000 0.277 487 T C 1.050 175.787 174.700 0.063 0.000 1.006 487 T CA -0.658 61.483 62.100 0.069 0.000 1.006 487 T CB 1.341 70.242 68.868 0.056 0.000 1.274 487 T HN 0.481 nan 8.240 nan 0.000 0.569 488 R N 0.799 121.330 120.500 0.052 0.000 2.096 488 R HA -0.130 4.210 4.340 -0.000 0.000 0.240 488 R C 1.721 178.042 176.300 0.035 0.000 1.139 488 R CA 2.439 58.566 56.100 0.045 0.000 0.952 488 R CB -1.305 29.015 30.300 0.034 0.000 0.854 488 R HN 0.774 nan 8.270 nan 0.000 0.436 489 D N -0.428 119.989 120.400 0.027 0.000 2.110 489 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 489 D C 1.685 177.992 176.300 0.012 0.000 0.975 489 D CA 1.164 55.174 54.000 0.016 0.000 0.839 489 D CB -0.253 40.555 40.800 0.014 0.000 0.996 489 D HN 0.082 nan 8.370 nan 0.000 0.464 490 K N 1.512 121.924 120.400 0.020 0.000 2.074 490 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 490 K C 2.216 178.821 176.600 0.009 0.000 1.048 490 K CA 0.906 57.201 56.287 0.014 0.000 0.926 490 K CB -0.713 31.803 32.500 0.027 0.000 0.713 490 K HN 0.079 nan 8.250 nan 0.000 0.444 491 L N 0.022 121.262 121.223 0.029 0.000 2.083 491 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 491 L C 2.371 179.235 176.870 -0.009 0.000 1.083 491 L CA 0.987 55.843 54.840 0.026 0.000 0.752 491 L CB -0.260 41.849 42.059 0.084 0.000 0.899 491 L HN 0.222 nan 8.230 nan 0.000 0.433 492 L N -1.209 120.012 121.223 -0.003 0.000 2.265 492 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 492 L C 2.436 179.286 176.870 -0.034 0.000 1.117 492 L CA 0.735 55.565 54.840 -0.017 0.000 0.782 492 L CB -0.044 42.011 42.059 -0.007 0.000 0.914 492 L HN 0.261 nan 8.230 nan 0.000 0.441 493 S N -0.649 115.030 115.700 -0.035 0.000 2.357 493 S HA -0.144 4.326 4.470 -0.000 0.000 0.221 493 S C 1.746 176.305 174.600 -0.068 0.000 1.031 493 S CA 1.135 59.304 58.200 -0.051 0.000 0.982 493 S CB -0.124 63.047 63.200 -0.048 0.000 0.853 493 S HN 0.273 nan 8.310 nan 0.000 0.458 494 M N 1.752 121.309 119.600 -0.072 0.000 2.374 494 M HA 0.167 4.647 4.480 -0.000 0.000 0.264 494 M C 0.916 177.151 176.300 -0.107 0.000 1.067 494 M CA 0.159 55.402 55.300 -0.096 0.000 1.103 494 M CB -0.746 31.791 32.600 -0.104 0.000 1.402 494 M HN 0.225 nan 8.290 nan 0.000 0.444 495 A N 2.128 124.892 122.820 -0.093 0.000 2.561 495 A HA 0.197 4.517 4.320 -0.000 0.000 0.234 495 A C -2.028 175.505 177.584 -0.085 0.000 1.055 495 A CA -0.935 51.048 52.037 -0.091 0.000 0.756 495 A CB -1.014 17.946 19.000 -0.067 0.000 0.986 495 A HN 0.217 nan 8.150 nan 0.000 0.505 496 P HA 0.073 nan 4.420 nan 0.000 0.271 496 P C -1.012 176.252 177.300 -0.060 0.000 1.220 496 P CA 0.108 63.162 63.100 -0.077 0.000 0.768 496 P CB 0.663 32.318 31.700 -0.075 0.000 0.848 497 Q N 3.008 122.773 119.800 -0.058 0.000 2.503 497 Q HA 0.304 4.644 4.340 -0.000 0.000 0.227 497 Q C -0.283 175.693 176.000 -0.039 0.000 1.109 497 Q CA 0.196 55.971 55.803 -0.047 0.000 0.922 497 Q CB 0.920 29.628 28.738 -0.049 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.028 120.208 120.200 -0.033 0.000 2.352 498 E HA 0.412 4.762 4.350 -0.000 0.000 0.280 498 E C -0.352 176.235 176.600 -0.021 0.000 0.930 498 E CA -0.440 55.944 56.400 -0.027 0.000 0.765 498 E CB 1.573 31.256 29.700 -0.028 0.000 1.219 498 E HN 0.470 nan 8.360 nan 0.000 0.434 499 A N 1.210 124.020 122.820 -0.017 0.000 2.206 499 A HA -0.040 4.280 4.320 -0.000 0.000 0.211 499 A C 1.506 179.083 177.584 -0.011 0.000 1.158 499 A CA 1.008 53.037 52.037 -0.013 0.000 0.761 499 A CB -0.323 18.670 19.000 -0.011 0.000 0.801 499 A HN 0.549 nan 8.150 nan 0.000 0.473 500 T N -0.229 114.318 114.554 -0.012 0.000 3.118 500 T HA 0.238 4.588 4.350 -0.000 0.000 0.260 500 T C -0.018 174.677 174.700 -0.008 0.000 1.139 500 T CA 0.484 62.579 62.100 -0.009 0.000 1.085 500 T CB -0.291 68.572 68.868 -0.009 0.000 0.934 500 T HN 0.156 nan 8.240 nan 0.000 0.518 501 L N 1.638 122.855 121.223 -0.011 0.000 2.333 501 L HA 0.421 4.761 4.340 -0.000 0.000 0.280 501 L C -0.242 176.623 176.870 -0.009 0.000 1.004 501 L CA -0.971 53.863 54.840 -0.011 0.000 0.820 501 L CB 1.433 43.481 42.059 -0.017 0.000 1.247 501 L HN -0.119 nan 8.230 nan 0.000 0.416 502 D N 2.122 122.518 120.400 -0.006 0.000 2.368 502 D HA -0.030 4.610 4.640 -0.000 0.000 0.268 502 D C 1.107 177.404 176.300 -0.006 0.000 1.298 502 D CA 0.328 54.326 54.000 -0.004 0.000 0.938 502 D CB 0.866 41.665 40.800 -0.000 0.000 1.101 502 D HN 0.390 nan 8.370 nan 0.000 0.509 503 Q N 3.081 122.877 119.800 -0.007 0.000 2.217 503 Q HA -0.265 4.075 4.340 -0.000 0.000 0.209 503 Q C 1.726 177.723 176.000 -0.005 0.000 0.988 503 Q CA 1.636 57.434 55.803 -0.008 0.000 0.878 503 Q CB -0.261 28.472 28.738 -0.008 0.000 0.909 503 Q HN 0.695 nan 8.270 nan 0.000 0.424 504 A N 0.699 123.518 122.820 -0.002 0.000 1.872 504 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 504 A C 2.356 179.941 177.584 0.003 0.000 1.187 504 A CA 1.591 53.628 52.037 0.001 0.000 0.614 504 A CB -0.660 18.341 19.000 0.002 0.000 0.826 504 A HN 0.367 nan 8.150 nan 0.000 0.442 505 A N -0.279 122.542 122.820 0.002 0.000 1.908 505 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 505 A C 2.216 179.802 177.584 0.003 0.000 1.181 505 A CA 1.931 53.971 52.037 0.005 0.000 0.627 505 A CB -1.074 17.928 19.000 0.004 0.000 0.818 505 A HN 0.432 nan 8.150 nan 0.000 0.445 506 V N -0.353 119.559 119.914 -0.003 0.000 2.282 506 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 506 V C 2.776 178.869 176.094 -0.002 0.000 1.057 506 V CA 2.400 64.695 62.300 -0.009 0.000 1.032 506 V CB -1.097 30.715 31.823 -0.017 0.000 0.645 506 V HN 0.667 nan 8.190 nan 0.000 0.447 507 S N 0.359 116.060 115.700 0.002 0.000 2.365 507 S HA -0.267 4.203 4.470 -0.000 0.000 0.225 507 S C 1.949 176.560 174.600 0.018 0.000 1.039 507 S CA 2.064 60.269 58.200 0.009 0.000 1.033 507 S CB -0.539 62.665 63.200 0.007 0.000 0.887 507 S HN 0.697 nan 8.310 nan 0.000 0.447 508 N N 1.729 120.439 118.700 0.018 0.000 2.104 508 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 508 N C 1.964 177.496 175.510 0.038 0.000 1.024 508 N CA 1.373 54.438 53.050 0.025 0.000 0.853 508 N CB -0.890 37.609 38.487 0.020 0.000 1.008 508 N HN 0.531 nan 8.380 nan 0.000 0.424 509 A N 1.256 124.096 122.820 0.032 0.000 1.865 509 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 509 A C 2.586 180.215 177.584 0.075 0.000 1.191 509 A CA 1.719 53.782 52.037 0.044 0.000 0.623 509 A CB -0.944 18.062 19.000 0.009 0.000 0.826 509 A HN 0.107 nan 8.150 nan 0.000 0.444 510 V N 0.739 120.683 119.914 0.051 0.000 2.287 510 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 510 V C 2.214 178.379 176.094 0.118 0.000 1.053 510 V CA 2.339 64.685 62.300 0.077 0.000 1.027 510 V CB -0.920 30.926 31.823 0.039 0.000 0.646 510 V HN 0.523 nan 8.190 nan 0.000 0.447 511 D N 0.545 120.992 120.400 0.078 0.000 2.097 511 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 511 D C 2.221 178.568 176.300 0.078 0.000 0.989 511 D CA 1.799 55.839 54.000 0.066 0.000 0.827 511 D CB -0.394 40.431 40.800 0.040 0.000 0.966 511 D HN 0.493 nan 8.370 nan 0.000 0.456 512 G N 0.559 109.411 108.800 0.088 0.000 2.459 512 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 512 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 512 G C 1.504 176.481 174.900 0.130 0.000 1.183 512 G CA 0.402 45.554 45.100 0.088 0.000 0.776 512 G HN 0.190 nan 8.290 nan 0.000 0.552 513 F N 0.983 120.952 119.950 0.032 0.000 2.065 513 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 513 F C 2.416 178.256 175.800 0.066 0.000 1.112 513 F CA 1.558 59.596 58.000 0.063 0.000 1.212 513 F CB -0.556 38.471 39.000 0.044 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.465 121.758 121.223 0.117 0.000 2.081 514 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 514 L C 2.425 179.262 176.870 -0.055 0.000 1.080 514 L CA 2.222 57.072 54.840 0.016 0.000 0.754 514 L CB -1.481 40.620 42.059 0.069 0.000 0.893 514 L HN 0.236 nan 8.230 nan 0.000 0.433 515 G N -1.040 107.738 108.800 -0.037 0.000 2.453 515 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.215 515 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.215 515 G C 1.750 176.576 174.900 -0.124 0.000 1.201 515 G CA 0.697 45.761 45.100 -0.060 0.000 0.784 515 G HN 0.420 nan 8.290 nan 0.000 0.545 516 R N -0.141 120.261 120.500 -0.162 0.000 2.193 516 R HA 0.136 4.476 4.340 -0.000 0.000 0.229 516 R C 2.394 178.455 176.300 -0.399 0.000 1.110 516 R CA 0.745 56.680 56.100 -0.275 0.000 0.988 516 R CB -0.297 29.833 30.300 -0.283 0.000 0.871 516 R HN 0.421 nan 8.270 nan 0.000 0.458 517 L N 0.242 121.265 121.223 -0.334 0.000 2.109 517 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 517 L C 2.082 178.863 176.870 -0.148 0.000 1.086 517 L CA 1.548 56.228 54.840 -0.267 0.000 0.760 517 L CB -0.143 41.740 42.059 -0.293 0.000 0.910 517 L HN 0.342 nan 8.230 nan 0.000 0.437 518 S N -1.275 114.356 115.700 -0.116 0.000 2.522 518 S HA -0.015 4.454 4.470 -0.000 0.000 0.227 518 S C 1.638 176.190 174.600 -0.081 0.000 0.986 518 S CA 0.321 58.484 58.200 -0.062 0.000 0.929 518 S CB -0.099 63.078 63.200 -0.040 0.000 0.769 518 S HN 0.430 nan 8.310 nan 0.000 0.529 519 L N -0.052 121.092 121.223 -0.131 0.000 2.362 519 L HA 0.322 4.662 4.340 -0.000 0.000 0.204 519 L C 2.774 179.552 176.870 -0.152 0.000 1.060 519 L CA 0.757 55.517 54.840 -0.134 0.000 0.827 519 L CB -0.331 41.639 42.059 -0.148 0.000 1.027 519 L HN 0.251 nan 8.230 nan 0.000 0.474 520 E N 0.803 120.866 120.200 -0.228 0.000 2.150 520 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 520 E C 1.055 177.581 176.600 -0.122 0.000 0.985 520 E CA 0.750 57.011 56.400 -0.231 0.000 0.814 520 E CB 0.262 29.671 29.700 -0.485 0.000 0.752 520 E HN 0.104 nan 8.360 nan 0.000 0.466 521 R N 0.298 120.746 120.500 -0.087 0.000 2.532 521 R HA 0.301 4.641 4.340 -0.000 0.000 0.295 521 R C -0.636 175.662 176.300 -0.003 0.000 0.968 521 R CA -0.383 55.714 56.100 -0.006 0.000 0.916 521 R CB 0.877 31.215 30.300 0.064 0.000 1.124 521 R HN -0.028 nan 8.270 nan 0.000 0.463 522 E N 1.624 121.823 120.200 -0.002 0.000 2.392 522 E HA 0.132 4.482 4.350 -0.000 0.000 0.269 522 E C -0.500 176.093 176.600 -0.012 0.000 0.924 522 E CA -0.913 55.467 56.400 -0.034 0.000 0.784 522 E CB 1.637 31.272 29.700 -0.107 0.000 1.292 522 E HN 0.585 nan 8.360 nan 0.000 0.447 523 D N 0.740 121.128 120.400 -0.021 0.000 2.144 523 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 523 D C 1.695 177.959 176.300 -0.061 0.000 0.978 523 D CA 1.039 55.073 54.000 0.056 0.000 0.833 523 D CB -0.037 40.877 40.800 0.191 0.000 0.961 523 D HN 0.350 nan 8.370 nan 0.000 0.470 524 R N 0.941 121.148 120.500 -0.488 0.000 2.200 524 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 524 R C 0.451 176.403 176.300 -0.579 0.000 1.127 524 R CA 1.072 56.426 56.100 -1.242 0.000 0.989 524 R CB -0.011 29.623 30.300 -1.111 0.000 0.869 524 R HN -0.030 nan 8.270 nan 0.000 0.459 525 D N -0.197 120.061 120.400 -0.235 0.000 2.403 525 D HA -0.064 4.576 4.640 -0.000 0.000 0.227 525 D C 0.302 176.624 176.300 0.037 0.000 0.995 525 D CA 1.108 55.071 54.000 -0.062 0.000 0.928 525 D CB 0.485 41.293 40.800 0.013 0.000 0.887 525 D HN 0.364 nan 8.370 nan 0.000 0.529 526 A N -0.958 121.877 122.820 0.026 0.000 2.573 526 A HA 0.209 4.529 4.320 -0.000 0.000 0.269 526 A C 0.397 177.937 177.584 -0.072 0.000 0.901 526 A CA -0.596 51.494 52.037 0.088 0.000 1.066 526 A CB -0.313 18.824 19.000 0.229 0.000 1.221 526 A HN 0.060 nan 8.150 nan 0.000 0.483 527 W N -0.702 120.314 121.300 -0.472 0.000 2.812 527 W HA 0.165 4.825 4.660 -0.000 0.000 0.263 527 W C 1.676 178.010 176.519 -0.309 0.000 1.284 527 W CA 0.622 57.616 57.345 -0.584 0.000 1.430 527 W CB -0.287 28.863 29.460 -0.515 0.000 1.088 527 W HN 0.567 nan 8.180 nan 0.000 0.623 528 H N -0.165 118.967 119.070 0.104 0.000 2.559 528 H HA 0.125 4.681 4.556 -0.000 0.000 0.273 528 H C 0.499 175.873 175.328 0.077 0.000 1.000 528 H CA 0.676 56.770 56.048 0.077 0.000 1.195 528 H CB -0.163 29.627 29.762 0.048 0.000 1.368 528 H HN -0.057 nan 8.280 nan 0.000 0.592 529 L N 1.802 123.136 121.223 0.185 0.000 2.319 529 L HA 0.081 4.421 4.340 -0.000 0.000 0.280 529 L C -1.053 175.914 176.870 0.161 0.000 1.099 529 L CA -1.641 53.303 54.840 0.172 0.000 0.828 529 L CB 1.237 43.414 42.059 0.198 0.000 1.150 529 L HN -0.066 nan 8.230 nan 0.000 0.442 530 P HA -0.189 nan 4.420 nan 0.000 0.215 530 P C 1.235 178.590 177.300 0.091 0.000 1.157 530 P CA 1.266 64.425 63.100 0.097 0.000 0.868 530 P CB 0.281 32.026 31.700 0.074 0.000 0.788 531 A N -1.954 120.923 122.820 0.095 0.000 2.067 531 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 531 A C 2.117 179.743 177.584 0.071 0.000 1.158 531 A CA 0.912 52.988 52.037 0.065 0.000 0.661 531 A CB -1.791 17.241 19.000 0.054 0.000 0.801 531 A HN 0.131 nan 8.150 nan 0.000 0.452 532 Y N 1.466 121.766 120.300 -0.000 0.000 2.102 532 Y HA -0.318 4.232 4.550 -0.000 0.000 0.280 532 Y C 1.949 177.794 175.900 -0.092 0.000 1.178 532 Y CA 2.476 60.554 58.100 -0.037 0.000 1.146 532 Y CB -0.256 38.178 38.460 -0.043 0.000 0.968 532 Y HN 0.365 nan 8.280 nan 0.000 0.504 533 K N -1.134 119.283 120.400 0.028 0.000 2.520 533 K HA -0.134 4.186 4.320 -0.000 0.000 0.197 533 K C 1.359 177.885 176.600 -0.123 0.000 1.043 533 K CA 0.945 57.193 56.287 -0.065 0.000 0.944 533 K CB -0.474 32.014 32.500 -0.019 0.000 0.770 533 K HN 0.323 nan 8.250 nan 0.000 0.480 534 c N 0.581 119.103 118.600 -0.131 0.000 2.855 534 c HA 0.187 4.757 4.570 -0.000 0.000 0.279 534 c C 0.425 174.423 174.090 -0.153 0.000 1.270 534 c CA -0.718 55.540 56.329 -0.119 0.000 1.702 534 c CB -0.560 41.904 42.510 -0.077 0.000 1.949 534 c HN 0.021 nan 8.230 nan 0.000 0.618 535 V N 2.035 121.807 119.914 -0.237 0.000 2.328 535 V HA 0.237 4.357 4.120 -0.000 0.000 0.278 535 V C 0.234 176.196 176.094 -0.221 0.000 1.021 535 V CA -0.009 62.154 62.300 -0.228 0.000 0.838 535 V CB 1.078 32.731 31.823 -0.285 0.000 0.999 535 V HN 0.243 nan 8.190 nan 0.000 0.447 536 D N 3.093 123.401 120.400 -0.153 0.000 2.087 536 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 536 D C 1.189 177.416 176.300 -0.121 0.000 0.976 536 D CA 1.296 55.219 54.000 -0.128 0.000 0.865 536 D CB 0.108 40.849 40.800 -0.098 0.000 1.005 536 D HN 0.406 nan 8.370 nan 0.000 0.449 537 R N 1.935 122.378 120.500 -0.095 0.000 3.266 537 R HA 0.147 4.487 4.340 -0.000 0.000 0.224 537 R C 1.286 177.536 176.300 -0.083 0.000 1.525 537 R CA -0.091 55.965 56.100 -0.074 0.000 1.364 537 R CB -0.164 30.110 30.300 -0.044 0.000 1.276 537 R HN 0.320 nan 8.270 nan 0.000 0.660 538 L N -0.645 120.503 121.223 -0.124 0.000 2.362 538 L HA -0.064 4.276 4.340 -0.000 0.000 0.219 538 L C 1.424 178.236 176.870 -0.097 0.000 1.134 538 L CA 1.125 55.874 54.840 -0.151 0.000 0.807 538 L CB -0.296 41.614 42.059 -0.248 0.000 0.927 538 L HN 0.292 nan 8.230 nan 0.000 0.447 539 D N 0.736 121.099 120.400 -0.062 0.000 2.269 539 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 539 D C 0.996 177.294 176.300 -0.004 0.000 0.963 539 D CA 0.856 54.836 54.000 -0.033 0.000 0.864 539 D CB -0.195 40.593 40.800 -0.019 0.000 0.936 539 D HN 0.529 nan 8.370 nan 0.000 0.505 540 K N 0.989 121.390 120.400 0.003 0.000 2.577 540 K HA 0.236 4.556 4.320 -0.000 0.000 0.210 540 K C -0.306 176.328 176.600 0.056 0.000 1.048 540 K CA -0.207 56.100 56.287 0.035 0.000 1.188 540 K CB 1.556 34.080 32.500 0.041 0.000 0.910 540 K HN 0.003 nan 8.250 nan 0.000 0.483 541 V N 2.361 122.306 119.914 0.051 0.000 2.383 541 V HA 0.113 4.233 4.120 -0.000 0.000 0.275 541 V C 1.427 177.629 176.094 0.179 0.000 1.036 541 V CA -0.228 62.130 62.300 0.097 0.000 0.889 541 V CB 1.160 33.018 31.823 0.058 0.000 0.985 541 V HN 0.294 nan 8.190 nan 0.000 0.459 542 L N 4.500 125.828 121.223 0.175 0.000 2.049 542 L HA 0.218 4.558 4.340 -0.000 0.000 0.203 542 L C 0.746 177.756 176.870 0.233 0.000 1.074 542 L CA 1.331 56.277 54.840 0.176 0.000 0.749 542 L CB -0.058 42.064 42.059 0.105 0.000 0.907 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.114 119.618 119.600 0.219 0.000 2.449 543 M HA 0.428 4.908 4.480 -0.000 0.000 0.291 543 M C -1.778 174.642 176.300 0.200 0.000 1.148 543 M CA -0.718 54.690 55.300 0.181 0.000 0.925 543 M CB 2.330 34.952 32.600 0.036 0.000 1.767 543 M HN 0.026 nan 8.290 nan 0.000 0.503 544 I N 1.181 121.886 120.570 0.225 0.000 2.412 544 I HA 0.640 4.809 4.170 -0.000 0.000 0.296 544 I C -1.198 175.013 176.117 0.157 0.000 0.987 544 I CA -0.946 60.486 61.300 0.219 0.000 1.180 544 I CB 1.687 39.854 38.000 0.279 0.000 1.340 544 I HN 0.758 nan 8.210 nan 0.000 0.455 545 I N 6.405 127.082 120.570 0.179 0.000 2.388 545 I HA 0.363 4.533 4.170 -0.000 0.000 0.281 545 I C -2.434 173.769 176.117 0.144 0.000 1.046 545 I CA -1.885 59.501 61.300 0.144 0.000 1.187 545 I CB 1.159 39.262 38.000 0.172 0.000 1.351 545 I HN 0.299 nan 8.210 nan 0.000 0.472 546 P HA 0.154 nan 4.420 nan 0.000 0.269 546 P C -0.507 176.788 177.300 -0.009 0.000 1.252 546 P CA -0.064 63.066 63.100 0.049 0.000 0.780 546 P CB 0.624 32.349 31.700 0.042 0.000 0.829 547 L N 3.714 124.974 121.223 0.062 0.000 2.492 547 L HA 0.391 4.731 4.340 -0.000 0.000 0.263 547 L C 1.751 178.682 176.870 0.101 0.000 1.062 547 L CA -0.546 54.347 54.840 0.087 0.000 0.817 547 L CB 0.118 42.324 42.059 0.246 0.000 1.441 547 L HN 0.259 nan 8.230 nan 0.000 0.493 548 I N 0.106 120.781 120.570 0.176 0.000 2.094 548 I HA -0.205 3.965 4.170 -0.000 0.000 0.234 548 I C 1.283 177.475 176.117 0.126 0.000 1.063 548 I CA 1.256 62.655 61.300 0.165 0.000 1.328 548 I CB -0.235 37.893 38.000 0.212 0.000 1.058 548 I HN 0.609 nan 8.210 nan 0.000 0.400 549 N N 0.096 118.878 118.700 0.136 0.000 2.299 549 N HA 0.104 4.844 4.740 -0.000 0.000 0.187 549 N C -0.049 175.495 175.510 0.057 0.000 1.099 549 N CA 0.395 53.502 53.050 0.096 0.000 0.867 549 N CB 1.052 39.603 38.487 0.107 0.000 0.974 549 N HN 0.307 nan 8.380 nan 0.000 0.477 550 V N -3.023 116.921 119.914 0.049 0.000 3.112 550 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 550 V C -0.951 175.121 176.094 -0.036 0.000 1.364 550 V CA -0.832 61.443 62.300 -0.041 0.000 1.058 550 V CB 1.611 33.340 31.823 -0.158 0.000 1.079 550 V HN 0.065 nan 8.190 nan 0.000 0.463 551 T N -1.273 113.202 114.554 -0.132 0.000 3.293 551 T HA 0.669 5.019 4.350 -0.000 0.000 0.320 551 T C -1.167 173.463 174.700 -0.116 0.000 0.995 551 T CA -0.050 62.029 62.100 -0.036 0.000 1.041 551 T CB 0.647 69.531 68.868 0.026 0.000 1.058 551 T HN 0.621 nan 8.240 nan 0.000 0.453 552 F N 2.283 122.278 119.950 0.075 0.000 2.396 552 F HA 0.600 5.127 4.527 -0.000 0.000 0.343 552 F C 0.641 176.493 175.800 0.087 0.000 1.104 552 F CA -1.098 56.951 58.000 0.082 0.000 1.161 552 F CB 1.016 40.063 39.000 0.079 0.000 1.146 552 F HN 0.481 nan 8.300 nan 0.000 0.522 553 I N 5.244 125.969 120.570 0.259 0.000 2.437 553 I HA 0.249 4.419 4.170 -0.000 0.000 0.279 553 I C -0.965 175.273 176.117 0.202 0.000 1.028 553 I CA -0.569 60.845 61.300 0.191 0.000 1.142 553 I CB 0.926 38.992 38.000 0.109 0.000 1.266 553 I HN 0.316 nan 8.210 nan 0.000 0.461 554 I N 6.207 126.892 120.570 0.192 0.000 2.352 554 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 554 I C 0.569 176.776 176.117 0.149 0.000 1.036 554 I CA 0.654 62.050 61.300 0.161 0.000 1.336 554 I CB 0.976 39.044 38.000 0.114 0.000 1.407 554 I HN 0.619 nan 8.210 nan 0.000 0.497 555 S N 2.488 118.286 115.700 0.162 0.000 2.656 555 S HA 0.493 4.963 4.470 -0.000 0.000 0.273 555 S C 0.069 174.785 174.600 0.193 0.000 1.168 555 S CA -0.275 58.018 58.200 0.154 0.000 0.817 555 S CB 1.383 64.663 63.200 0.134 0.000 1.146 555 S HN 0.477 nan 8.310 nan 0.000 0.475 556 S N -0.122 115.676 115.700 0.164 0.000 2.583 556 S HA 0.322 4.792 4.470 -0.000 0.000 0.239 556 S C -0.357 174.431 174.600 0.314 0.000 0.966 556 S CA -0.314 57.986 58.200 0.167 0.000 0.973 556 S CB -0.972 62.271 63.200 0.071 0.000 0.794 556 S HN 0.853 nan 8.310 nan 0.000 0.463 557 D N 0.680 121.298 120.400 0.364 0.000 2.934 557 D HA 0.165 4.805 4.640 -0.000 0.000 0.230 557 D C 0.078 176.321 176.300 -0.095 0.000 1.204 557 D CA -0.846 53.263 54.000 0.181 0.000 0.873 557 D CB 1.257 42.090 40.800 0.055 0.000 1.645 557 D HN 0.300 nan 8.370 nan 0.000 0.502 558 R N 0.675 120.890 120.500 -0.475 0.000 2.555 558 R HA 0.168 4.508 4.340 -0.000 0.000 0.272 558 R C 0.013 176.117 176.300 -0.327 0.000 1.089 558 R CA -0.303 55.364 56.100 -0.722 0.000 1.126 558 R CB 0.066 29.768 30.300 -0.996 0.000 1.250 558 R HN 0.233 nan 8.270 nan 0.000 0.551 559 E N 0.901 120.984 120.200 -0.195 0.000 2.318 559 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 559 E C 0.504 177.032 176.600 -0.119 0.000 0.998 559 E CA 0.222 56.542 56.400 -0.134 0.000 0.859 559 E CB 0.229 29.871 29.700 -0.095 0.000 0.812 559 E HN 0.132 nan 8.360 nan 0.000 0.492 560 V N 3.544 123.391 119.914 -0.111 0.000 2.644 560 V HA -0.125 3.995 4.120 -0.000 0.000 0.305 560 V C 1.109 177.146 176.094 -0.094 0.000 1.053 560 V CA 0.556 62.802 62.300 -0.091 0.000 1.186 560 V CB -0.067 31.722 31.823 -0.057 0.000 0.895 560 V HN 0.249 nan 8.190 nan 0.000 0.490 561 R N 3.598 124.046 120.500 -0.086 0.000 4.306 561 R HA 0.444 4.784 4.340 -0.000 0.000 0.266 561 R C 0.698 176.957 176.300 -0.068 0.000 1.624 561 R CA 0.029 56.081 56.100 -0.079 0.000 1.487 561 R CB 0.035 30.290 30.300 -0.075 0.000 1.441 561 R HN 0.692 nan 8.270 nan 0.000 0.750 562 G N 0.452 109.212 108.800 -0.066 0.000 3.048 562 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.151 562 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.151 562 G C 0.437 175.300 174.900 -0.061 0.000 1.803 562 G CA -0.250 44.813 45.100 -0.062 0.000 1.047 562 G HN 0.312 nan 8.290 nan 0.000 0.513 563 S N -0.691 114.972 115.700 -0.062 0.000 2.539 563 S HA 0.611 5.081 4.470 -0.000 0.000 0.226 563 S C 0.528 175.090 174.600 -0.063 0.000 1.054 563 S CA 0.488 58.654 58.200 -0.055 0.000 0.910 563 S CB 0.677 63.848 63.200 -0.048 0.000 0.818 563 S HN 0.995 nan 8.310 nan 0.000 0.490 564 A N 0.688 123.467 122.820 -0.069 0.000 2.602 564 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 564 A C -2.228 175.282 177.584 -0.124 0.000 1.114 564 A CA -0.562 51.401 52.037 -0.124 0.000 0.683 564 A CB 1.041 19.938 19.000 -0.172 0.000 1.281 564 A HN 0.183 nan 8.150 nan 0.000 0.416 565 L N 0.567 121.670 121.223 -0.199 0.000 2.356 565 L HA 0.774 5.114 4.340 -0.000 0.000 0.277 565 L C -1.820 174.961 176.870 -0.149 0.000 0.996 565 L CA -0.244 54.523 54.840 -0.122 0.000 0.822 565 L CB 1.193 43.162 42.059 -0.150 0.000 1.256 565 L HN 0.636 nan 8.230 nan 0.000 0.413 566 Y N 2.683 123.076 120.300 0.154 0.000 2.468 566 Y HA 0.656 5.206 4.550 -0.000 0.000 0.342 566 Y C -0.275 175.770 175.900 0.241 0.000 1.021 566 Y CA -0.615 57.584 58.100 0.165 0.000 1.079 566 Y CB 1.964 40.509 38.460 0.142 0.000 1.226 566 Y HN 0.599 nan 8.280 nan 0.000 0.460 567 E N 1.621 122.028 120.200 0.346 0.000 2.278 567 E HA 0.713 5.063 4.350 -0.000 0.000 0.272 567 E C -1.450 175.169 176.600 0.032 0.000 0.890 567 E CA -0.815 55.673 56.400 0.148 0.000 0.770 567 E CB 1.294 31.091 29.700 0.162 0.000 1.212 567 E HN 0.784 nan 8.360 nan 0.000 0.415 568 A N 2.271 125.028 122.820 -0.106 0.000 2.386 568 A HA 0.227 4.547 4.320 -0.000 0.000 0.246 568 A C 1.066 178.613 177.584 -0.061 0.000 1.089 568 A CA 0.388 52.352 52.037 -0.121 0.000 0.790 568 A CB 0.448 19.203 19.000 -0.409 0.000 1.042 568 A HN 0.808 nan 8.150 nan 0.000 0.497 569 S N -0.088 115.616 115.700 0.007 0.000 2.453 569 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 569 S C 1.065 175.711 174.600 0.076 0.000 1.005 569 S CA 1.032 59.252 58.200 0.033 0.000 0.949 569 S CB -0.635 62.581 63.200 0.026 0.000 0.774 569 S HN 0.931 nan 8.310 nan 0.000 0.510 570 T N 2.830 117.463 114.554 0.131 0.000 2.901 570 T HA 0.321 4.671 4.350 -0.000 0.000 0.301 570 T C 0.849 175.596 174.700 0.078 0.000 1.012 570 T CA 0.597 62.821 62.100 0.207 0.000 1.135 570 T CB 0.661 69.724 68.868 0.325 0.000 0.936 570 T HN 0.476 nan 8.240 nan 0.000 0.539 571 T N 2.054 116.662 114.554 0.090 0.000 3.144 571 T HA 0.181 4.531 4.350 -0.000 0.000 0.290 571 T C 1.189 175.877 174.700 -0.020 0.000 0.966 571 T CA -0.367 61.724 62.100 -0.016 0.000 0.907 571 T CB -0.459 68.370 68.868 -0.065 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.532 572 Y N 1.979 122.283 120.300 0.006 0.000 2.207 572 Y HA 0.123 4.673 4.550 -0.000 0.000 0.287 572 Y C 1.131 177.025 175.900 -0.009 0.000 1.156 572 Y CA 0.498 58.602 58.100 0.007 0.000 1.182 572 Y CB -0.533 37.940 38.460 0.021 0.000 0.979 572 Y HN 0.215 nan 8.280 nan 0.000 0.521 573 L N -0.838 120.466 121.223 0.136 0.000 2.473 573 L HA -0.057 4.283 4.340 -0.000 0.000 0.265 573 L C 1.681 178.563 176.870 0.020 0.000 1.243 573 L CA 0.555 55.431 54.840 0.059 0.000 0.822 573 L CB -0.019 42.051 42.059 0.018 0.000 1.101 573 L HN -0.080 nan 8.230 nan 0.000 0.507 574 S N -1.018 114.690 115.700 0.013 0.000 2.351 574 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 574 S C 0.917 175.512 174.600 -0.008 0.000 1.035 574 S CA 1.523 59.726 58.200 0.004 0.000 1.031 574 S CB -0.174 63.032 63.200 0.010 0.000 0.928 574 S HN 0.676 nan 8.310 nan 0.000 0.433 575 S N 0.220 115.911 115.700 -0.015 0.000 2.667 575 S HA 0.567 5.037 4.470 -0.000 0.000 0.292 575 S C 0.213 174.757 174.600 -0.093 0.000 1.108 575 S CA -0.817 57.366 58.200 -0.029 0.000 0.992 575 S CB 1.160 64.361 63.200 0.002 0.000 1.269 575 S HN 0.304 nan 8.310 nan 0.000 0.528 576 S N 0.538 116.132 115.700 -0.177 0.000 2.713 576 S HA 0.573 5.043 4.470 -0.000 0.000 0.283 576 S C -1.019 173.288 174.600 -0.489 0.000 1.161 576 S CA -0.514 57.439 58.200 -0.411 0.000 0.999 576 S CB 0.796 63.553 63.200 -0.739 0.000 1.039 576 S HN 0.410 nan 8.310 nan 0.000 0.548 577 L N 2.581 123.467 121.223 -0.562 0.000 2.313 577 L HA 0.541 4.881 4.340 -0.000 0.000 0.273 577 L C -1.667 174.955 176.870 -0.414 0.000 1.028 577 L CA -0.111 54.486 54.840 -0.405 0.000 0.871 577 L CB -0.550 41.277 42.059 -0.387 0.000 1.242 577 L HN 0.403 nan 8.230 nan 0.000 0.434 578 F N 4.449 124.392 119.950 -0.011 0.000 2.403 578 F HA 0.608 5.135 4.527 -0.000 0.000 0.326 578 F C -0.103 175.740 175.800 0.070 0.000 1.081 578 F CA -0.683 57.337 58.000 0.034 0.000 1.041 578 F CB 1.295 40.315 39.000 0.033 0.000 1.234 578 F HN 0.134 nan 8.300 nan 0.000 0.503 579 L N 1.683 123.132 121.223 0.378 0.000 2.485 579 L HA 0.333 4.673 4.340 -0.000 0.000 0.260 579 L C -0.817 176.276 176.870 0.371 0.000 0.998 579 L CA -0.129 54.916 54.840 0.342 0.000 0.883 579 L CB 1.436 43.683 42.059 0.313 0.000 1.196 579 L HN 0.459 nan 8.230 nan 0.000 0.443 580 S N 4.696 120.556 115.700 0.267 0.000 2.420 580 S HA 0.478 4.948 4.470 -0.000 0.000 0.313 580 S C -2.478 172.179 174.600 0.096 0.000 1.079 580 S CA -1.045 57.246 58.200 0.152 0.000 1.104 580 S CB 1.027 64.261 63.200 0.057 0.000 0.969 580 S HN 0.283 nan 8.310 nan 0.000 0.471 581 P HA 0.323 nan 4.420 nan 0.000 0.301 581 P C -0.998 176.164 177.300 -0.231 0.000 1.338 581 P CA -0.600 62.288 63.100 -0.354 0.000 0.834 581 P CB 1.320 32.698 31.700 -0.537 0.000 0.967 582 V N 6.381 126.160 119.914 -0.225 0.000 2.320 582 V HA 0.192 4.312 4.120 -0.000 0.000 0.265 582 V C 1.083 177.101 176.094 -0.126 0.000 1.048 582 V CA -0.675 61.549 62.300 -0.127 0.000 0.865 582 V CB 0.526 32.304 31.823 -0.075 0.000 1.043 582 V HN 0.563 nan 8.190 nan 0.000 0.474 583 I N 5.828 126.337 120.570 -0.100 0.000 2.648 583 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 583 I C 0.993 177.092 176.117 -0.031 0.000 1.153 583 I CA -0.086 61.175 61.300 -0.066 0.000 1.426 583 I CB 0.527 38.504 38.000 -0.040 0.000 1.381 583 I HN 0.779 nan 8.210 nan 0.000 0.571 584 M N 6.021 125.614 119.600 -0.011 0.000 2.576 584 M HA -0.330 4.150 4.480 -0.000 0.000 0.200 584 M C 0.601 176.904 176.300 0.006 0.000 0.487 584 M CA 1.044 56.348 55.300 0.007 0.000 0.553 584 M CB -2.165 30.441 32.600 0.010 0.000 2.042 584 M HN 0.882 nan 8.290 nan 0.000 0.758 585 N N -0.769 117.929 118.700 -0.002 0.000 2.644 585 N HA -0.262 4.478 4.740 -0.000 0.000 0.248 585 N C -0.354 175.159 175.510 0.004 0.000 1.150 585 N CA 1.519 54.572 53.050 0.005 0.000 0.727 585 N CB -0.641 37.862 38.487 0.027 0.000 1.091 585 N HN 0.814 nan 8.380 nan 0.000 0.556 586 K N -0.330 120.066 120.400 -0.006 0.000 2.426 586 K HA 0.608 4.928 4.320 -0.000 0.000 0.254 586 K C -0.251 176.336 176.600 -0.021 0.000 0.936 586 K CA -0.985 55.297 56.287 -0.008 0.000 0.801 586 K CB 1.323 33.821 32.500 -0.002 0.000 1.139 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.718 119.303 118.600 -0.025 0.000 2.365 587 c HA 0.744 5.314 4.570 -0.000 0.000 0.349 587 c C 0.610 174.680 174.090 -0.034 0.000 1.191 587 c CA -0.835 55.472 56.329 -0.036 0.000 2.114 587 c CB 0.645 43.127 42.510 -0.045 0.000 2.367 587 c HN 0.914 nan 8.230 nan 0.000 0.530 588 S N 1.591 117.267 115.700 -0.039 0.000 2.672 588 S HA 0.450 4.920 4.470 -0.000 0.000 0.276 588 S C -0.410 174.165 174.600 -0.042 0.000 1.207 588 S CA -0.602 57.576 58.200 -0.036 0.000 1.002 588 S CB 0.556 63.734 63.200 -0.036 0.000 0.998 588 S HN 0.932 nan 8.310 nan 0.000 0.542 589 Q N 0.695 120.472 119.800 -0.038 0.000 2.286 589 Q HA 0.506 4.846 4.340 -0.000 0.000 0.267 589 Q C 0.527 176.499 176.000 -0.045 0.000 1.028 589 Q CA -0.301 55.478 55.803 -0.041 0.000 0.901 589 Q CB -0.124 28.594 28.738 -0.034 0.000 1.183 589 Q HN 1.461 nan 8.270 nan 0.000 0.392 590 G N 1.082 109.851 108.800 -0.052 0.000 2.705 590 G HA2 0.078 4.038 3.960 -0.000 0.000 0.686 590 G HA3 0.078 4.038 3.960 -0.000 0.000 0.686 590 G C -0.443 174.417 174.900 -0.067 0.000 1.285 590 G CA -0.540 44.526 45.100 -0.057 0.000 0.800 590 G HN 1.065 nan 8.290 nan 0.000 0.611 591 A N 0.771 123.544 122.820 -0.077 0.000 2.280 591 A HA 0.828 5.148 4.320 -0.000 0.000 0.268 591 A C 1.210 178.740 177.584 -0.091 0.000 1.111 591 A CA 0.330 52.311 52.037 -0.094 0.000 0.814 591 A CB 0.349 19.279 19.000 -0.116 0.000 1.093 591 A HN 2.084 nan 8.150 nan 0.000 0.498 592 V N 0.012 119.862 119.914 -0.106 0.000 3.287 592 V HA 0.357 4.477 4.120 -0.000 0.000 0.306 592 V C 1.330 177.370 176.094 -0.091 0.000 1.103 592 V CA -0.016 62.225 62.300 -0.099 0.000 1.159 592 V CB 0.005 31.757 31.823 -0.118 0.000 1.036 592 V HN 1.171 nan 8.190 nan 0.000 0.487 593 A N 1.997 124.772 122.820 -0.075 0.000 2.325 593 A HA 0.548 4.868 4.320 -0.000 0.000 0.260 593 A C 1.022 178.568 177.584 -0.064 0.000 1.133 593 A CA 0.261 52.261 52.037 -0.062 0.000 0.801 593 A CB -0.582 18.389 19.000 -0.049 0.000 1.092 593 A HN 1.330 nan 8.150 nan 0.000 0.504 594 G N -1.710 107.061 108.800 -0.048 0.000 2.664 594 G HA2 0.420 4.380 3.960 -0.000 0.000 0.242 594 G HA3 0.420 4.380 3.960 -0.000 0.000 0.242 594 G C -0.044 174.836 174.900 -0.033 0.000 1.225 594 G CA 0.850 45.926 45.100 -0.040 0.000 0.849 594 G HN 1.355 nan 8.290 nan 0.000 0.581 595 E N -0.645 119.545 120.200 -0.017 0.000 6.621 595 E HA -0.127 4.223 4.350 -0.000 0.000 0.289 595 E C -2.321 174.274 176.600 -0.008 0.000 1.257 595 E CA 0.172 56.572 56.400 0.000 0.000 1.311 595 E CB -0.646 29.053 29.700 -0.002 0.000 0.936 595 E HN 0.391 nan 8.360 nan 0.000 0.298 596 P HA 0.189 nan 4.420 nan 0.000 0.274 596 P C -0.548 176.752 177.300 0.000 0.000 1.237 596 P CA -0.411 62.701 63.100 0.019 0.000 0.793 596 P CB 0.565 32.358 31.700 0.155 0.000 0.977 597 R N 1.702 122.154 120.500 -0.080 0.000 2.340 597 R HA 0.133 4.473 4.340 -0.000 0.000 0.300 597 R C -0.063 176.284 176.300 0.079 0.000 1.069 597 R CA -0.188 55.859 56.100 -0.088 0.000 0.984 597 R CB 0.336 30.434 30.300 -0.336 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.895 123.768 119.800 0.121 0.000 2.293 598 Q HA 0.204 4.544 4.340 -0.000 0.000 0.251 598 Q C -0.179 175.962 176.000 0.233 0.000 0.930 598 Q CA -0.319 55.581 55.803 0.162 0.000 0.893 598 Q CB 1.493 30.286 28.738 0.091 0.000 1.215 598 Q HN 0.539 nan 8.270 nan 0.000 0.425 599 I N 5.124 125.813 120.570 0.199 0.000 2.494 599 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 599 I C -1.668 174.483 176.117 0.057 0.000 1.106 599 I CA -1.557 59.807 61.300 0.106 0.000 1.369 599 I CB -0.065 37.947 38.000 0.020 0.000 1.410 599 I HN 0.339 nan 8.210 nan 0.000 0.523 600 P HA 0.141 nan 4.420 nan 0.000 0.275 600 P C -1.047 176.249 177.300 -0.007 0.000 1.227 600 P CA -0.407 62.709 63.100 0.027 0.000 0.781 600 P CB 0.763 32.485 31.700 0.037 0.000 0.906 601 K N 3.018 123.406 120.400 -0.021 0.000 2.172 601 K HA 0.562 4.882 4.320 -0.000 0.000 0.276 601 K C 0.024 176.580 176.600 -0.074 0.000 1.013 601 K CA -0.613 55.649 56.287 -0.041 0.000 0.913 601 K CB 1.109 33.585 32.500 -0.040 0.000 1.055 601 K HN 0.462 nan 8.250 nan 0.000 0.461 602 I N 1.996 122.505 120.570 -0.102 0.000 2.545 602 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 602 I C 0.307 176.292 176.117 -0.221 0.000 1.040 602 I CA -0.484 60.712 61.300 -0.174 0.000 1.068 602 I CB 2.128 40.000 38.000 -0.213 0.000 1.251 602 I HN 0.615 nan 8.210 nan 0.000 0.424 603 Q N 2.568 122.220 119.800 -0.247 0.000 2.103 603 Q HA 0.201 4.541 4.340 -0.000 0.000 0.219 603 Q C 0.953 176.813 176.000 -0.233 0.000 0.784 603 Q CA -0.238 55.415 55.803 -0.249 0.000 1.014 603 Q CB 0.770 29.386 28.738 -0.204 0.000 1.183 603 Q HN 0.583 nan 8.270 nan 0.000 0.469 604 N N 0.948 119.453 118.700 -0.325 0.000 2.022 604 N HA -0.077 4.663 4.740 -0.000 0.000 0.194 604 N C 0.216 175.617 175.510 -0.181 0.000 1.057 604 N CA 1.038 53.901 53.050 -0.311 0.000 0.849 604 N CB -0.182 38.026 38.487 -0.466 0.000 1.044 604 N HN 0.073 nan 8.380 nan 0.000 0.424 605 F N 1.516 121.475 119.950 0.015 0.000 2.623 605 F HA -0.063 4.464 4.527 -0.000 0.000 0.381 605 F C 1.448 177.249 175.800 0.003 0.000 1.081 605 F CA -0.197 57.831 58.000 0.048 0.000 1.293 605 F CB -0.627 38.483 39.000 0.182 0.000 1.006 605 F HN -0.028 nan 8.300 nan 0.000 0.578 606 T N 1.030 115.707 114.554 0.204 0.000 2.943 606 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 606 T C 1.176 175.929 174.700 0.089 0.000 1.015 606 T CA -1.067 61.091 62.100 0.097 0.000 1.042 606 T CB 1.747 70.650 68.868 0.058 0.000 1.055 606 T HN 0.542 nan 8.240 nan 0.000 0.500 607 R N 0.866 121.404 120.500 0.063 0.000 2.109 607 R HA -0.029 4.311 4.340 -0.000 0.000 0.227 607 R C 0.733 177.058 176.300 0.041 0.000 1.132 607 R CA 1.212 57.350 56.100 0.062 0.000 0.907 607 R CB -1.377 28.959 30.300 0.060 0.000 0.825 607 R HN 0.668 nan 8.270 nan 0.000 0.432 608 T N 2.743 117.312 114.554 0.025 0.000 2.871 608 T HA 0.021 4.371 4.350 -0.000 0.000 0.296 608 T C 0.121 174.810 174.700 -0.018 0.000 0.998 608 T CA 0.387 62.489 62.100 0.004 0.000 1.162 608 T CB 0.614 69.483 68.868 0.002 0.000 0.947 608 T HN 0.094 nan 8.240 nan 0.000 0.536 609 Q N 2.068 121.841 119.800 -0.045 0.000 2.323 609 Q HA 0.315 4.655 4.340 -0.000 0.000 0.271 609 Q C 0.671 176.618 176.000 -0.089 0.000 1.048 609 Q CA -0.668 55.082 55.803 -0.088 0.000 0.792 609 Q CB 2.536 31.178 28.738 -0.160 0.000 1.280 609 Q HN 0.652 nan 8.270 nan 0.000 0.441 610 K N 1.115 121.463 120.400 -0.085 0.000 1.975 610 K HA -0.007 4.313 4.320 -0.000 0.000 0.210 610 K C 0.828 177.370 176.600 -0.097 0.000 1.041 610 K CA 1.201 57.442 56.287 -0.076 0.000 0.942 610 K CB 0.115 32.578 32.500 -0.061 0.000 0.729 610 K HN 0.697 nan 8.250 nan 0.000 0.439 611 S N -0.577 115.052 115.700 -0.118 0.000 2.694 611 S HA 0.111 4.581 4.470 -0.000 0.000 0.278 611 S C 0.073 174.557 174.600 -0.193 0.000 1.152 611 S CA -0.990 57.130 58.200 -0.135 0.000 1.010 611 S CB 1.343 64.470 63.200 -0.122 0.000 1.104 611 S HN 0.385 nan 8.310 nan 0.000 0.547 612 C N 2.034 121.215 119.300 -0.200 0.000 2.262 612 C HA 0.443 4.903 4.460 -0.000 0.000 0.413 612 C C 1.624 176.406 174.990 -0.346 0.000 1.019 612 C CA -0.870 57.996 59.018 -0.254 0.000 1.320 612 C CB -2.905 24.710 27.740 -0.208 0.000 1.657 612 C HN 0.759 nan 8.230 nan 0.000 0.510 613 I N 2.751 123.025 120.570 -0.493 0.000 2.072 613 I HA -0.069 4.101 4.170 -0.000 0.000 0.235 613 I C 0.752 176.505 176.117 -0.608 0.000 1.058 613 I CA 1.509 62.440 61.300 -0.616 0.000 1.320 613 I CB -0.457 36.926 38.000 -1.028 0.000 1.047 613 I HN 0.415 nan 8.210 nan 0.000 0.397 614 F N 0.833 120.604 119.950 -0.299 0.000 2.659 614 F HA 0.168 4.695 4.527 -0.000 0.000 0.360 614 F C 1.146 176.693 175.800 -0.423 0.000 1.218 614 F CA -0.732 57.088 58.000 -0.299 0.000 1.317 614 F CB -1.056 37.965 39.000 0.036 0.000 1.697 614 F HN 0.108 nan 8.300 nan 0.000 0.637 615 C N 0.697 119.659 119.300 -0.563 0.000 3.529 615 C HA 0.182 4.642 4.460 -0.000 0.000 0.288 615 C C 2.828 177.612 174.990 -0.344 0.000 1.353 615 C CA 1.220 60.002 59.018 -0.393 0.000 1.705 615 C CB -0.783 26.750 27.740 -0.344 0.000 2.156 615 C HN 0.827 nan 8.230 nan 0.000 0.555 616 G N 0.135 108.746 108.800 -0.315 0.000 2.990 616 G HA2 0.131 4.091 3.960 -0.000 0.000 0.206 616 G HA3 0.131 4.091 3.960 -0.000 0.000 0.206 616 G C 0.306 175.473 174.900 0.445 0.000 1.169 616 G CA 0.238 45.373 45.100 0.057 0.000 0.819 616 G HN 0.299 nan 8.290 nan 0.000 0.517 617 F N 0.221 120.282 119.950 0.185 0.000 2.403 617 F HA 0.798 5.325 4.527 -0.000 0.000 0.326 617 F C 0.515 176.477 175.800 0.270 0.000 1.099 617 F CA -2.313 55.827 58.000 0.232 0.000 1.036 617 F CB 0.993 40.101 39.000 0.180 0.000 1.336 617 F HN 0.059 nan 8.300 nan 0.000 0.497 618 A N 0.495 123.568 122.820 0.421 0.000 2.515 618 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 618 A C -1.589 176.085 177.584 0.150 0.000 1.059 618 A CA -0.635 51.588 52.037 0.311 0.000 0.698 618 A CB 1.370 20.554 19.000 0.306 0.000 1.289 618 A HN 0.646 nan 8.150 nan 0.000 0.404 619 L N 1.309 122.624 121.223 0.154 0.000 2.325 619 L HA 0.675 5.015 4.340 -0.000 0.000 0.278 619 L C -1.127 175.833 176.870 0.150 0.000 1.023 619 L CA -0.888 54.044 54.840 0.153 0.000 0.811 619 L CB 1.758 43.946 42.059 0.214 0.000 1.249 619 L HN 0.629 nan 8.230 nan 0.000 0.431 620 L N 3.020 124.321 121.223 0.129 0.000 2.446 620 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 620 L C -0.311 176.616 176.870 0.095 0.000 0.975 620 L CA -0.062 54.838 54.840 0.099 0.000 0.848 620 L CB 1.810 43.898 42.059 0.049 0.000 1.225 620 L HN 0.608 nan 8.230 nan 0.000 0.410 621 S N 3.641 119.344 115.700 0.005 0.000 2.489 621 S HA 0.798 5.268 4.470 -0.000 0.000 0.291 621 S C -0.752 173.774 174.600 -0.123 0.000 1.151 621 S CA -0.512 57.547 58.200 -0.234 0.000 1.082 621 S CB 1.206 64.084 63.200 -0.536 0.000 1.019 621 S HN 0.557 nan 8.310 nan 0.000 0.492 622 Y N -0.626 119.555 120.300 -0.198 0.000 2.512 622 Y HA 0.741 5.291 4.550 -0.000 0.000 0.348 622 Y C -0.863 174.944 175.900 -0.155 0.000 0.990 622 Y CA -1.356 56.665 58.100 -0.131 0.000 1.033 622 Y CB 0.817 39.245 38.460 -0.053 0.000 1.259 622 Y HN 0.627 nan 8.280 nan 0.000 0.461 623 D N 1.925 122.311 120.400 -0.023 0.000 2.255 623 D HA 0.169 4.809 4.640 -0.000 0.000 0.249 623 D C 0.767 177.088 176.300 0.035 0.000 1.078 623 D CA -0.180 53.747 54.000 -0.122 0.000 0.896 623 D CB 1.472 42.186 40.800 -0.143 0.000 1.194 623 D HN 0.823 nan 8.370 nan 0.000 0.429 624 E N 1.731 121.894 120.200 -0.061 0.000 2.058 624 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 624 E C 1.272 177.795 176.600 -0.130 0.000 0.997 624 E CA 1.347 57.755 56.400 0.013 0.000 0.801 624 E CB 0.279 29.920 29.700 -0.099 0.000 0.746 624 E HN 0.425 nan 8.360 nan 0.000 0.450 625 K N 0.207 120.405 120.400 -0.337 0.000 2.005 625 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 625 K C 1.031 177.581 176.600 -0.083 0.000 1.044 625 K CA 0.729 56.847 56.287 -0.281 0.000 0.942 625 K CB 0.006 32.271 32.500 -0.391 0.000 0.727 625 K HN -0.044 nan 8.250 nan 0.000 0.439 626 E N -0.366 119.776 120.200 -0.097 0.000 2.622 626 E HA 0.157 4.507 4.350 -0.000 0.000 0.255 626 E C 0.632 177.232 176.600 0.000 0.000 1.313 626 E CA -0.005 56.368 56.400 -0.045 0.000 1.011 626 E CB 0.323 29.983 29.700 -0.068 0.000 1.173 626 E HN 0.243 nan 8.360 nan 0.000 0.601 627 G N -0.337 108.466 108.800 0.004 0.000 2.711 627 G HA2 0.170 4.130 3.960 -0.000 0.000 0.186 627 G HA3 0.170 4.130 3.960 -0.000 0.000 0.186 627 G C -0.473 174.452 174.900 0.042 0.000 1.635 627 G CA -0.516 44.596 45.100 0.021 0.000 1.065 627 G HN 0.312 nan 8.290 nan 0.000 0.545 628 L N 0.749 121.994 121.223 0.036 0.000 2.305 628 L HA 0.267 4.607 4.340 -0.000 0.000 0.281 628 L C 1.196 178.070 176.870 0.008 0.000 1.085 628 L CA -0.671 54.199 54.840 0.050 0.000 0.813 628 L CB 1.353 43.438 42.059 0.043 0.000 1.157 628 L HN 0.477 nan 8.230 nan 0.000 0.436 629 E N 1.867 122.056 120.200 -0.018 0.000 2.025 629 E HA 0.043 4.392 4.350 -0.000 0.000 0.198 629 E C 0.550 177.121 176.600 -0.049 0.000 0.955 629 E CA 0.945 57.304 56.400 -0.068 0.000 0.862 629 E CB 0.117 29.732 29.700 -0.142 0.000 0.837 629 E HN 0.727 nan 8.360 nan 0.000 0.488 630 T N -1.699 112.827 114.554 -0.046 0.000 2.907 630 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 630 T C -0.311 174.431 174.700 0.069 0.000 1.043 630 T CA -0.765 61.342 62.100 0.013 0.000 1.003 630 T CB 2.273 71.164 68.868 0.038 0.000 1.084 630 T HN 0.034 nan 8.240 nan 0.000 0.483 631 T N 1.042 115.649 114.554 0.089 0.000 2.863 631 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 631 T C -1.122 173.664 174.700 0.143 0.000 1.009 631 T CA -0.326 61.841 62.100 0.112 0.000 0.989 631 T CB 1.484 70.392 68.868 0.067 0.000 1.004 631 T HN 0.890 nan 8.240 nan 0.000 0.455 632 T N 3.678 118.336 114.554 0.172 0.000 2.916 632 T HA 0.400 4.750 4.350 -0.000 0.000 0.298 632 T C -1.799 173.067 174.700 0.278 0.000 1.031 632 T CA -0.470 61.747 62.100 0.194 0.000 0.993 632 T CB 1.094 69.987 68.868 0.041 0.000 1.045 632 T HN 0.604 nan 8.240 nan 0.000 0.454 633 Y N 3.468 123.902 120.300 0.222 0.000 2.402 633 Y HA 0.534 5.084 4.550 -0.000 0.000 0.332 633 Y C -0.135 175.890 175.900 0.209 0.000 0.960 633 Y CA -1.184 57.047 58.100 0.218 0.000 1.228 633 Y CB 0.400 38.993 38.460 0.222 0.000 1.120 633 Y HN 0.596 nan 8.280 nan 0.000 0.491 634 I N 7.393 127.856 120.570 -0.178 0.000 2.455 634 I HA -0.056 4.114 4.170 -0.000 0.000 0.303 634 I C 1.449 177.273 176.117 -0.489 0.000 1.180 634 I CA 0.265 61.404 61.300 -0.268 0.000 1.469 634 I CB 0.143 38.065 38.000 -0.130 0.000 1.480 634 I HN 0.795 nan 8.210 nan 0.000 0.669 635 T N 1.638 115.920 114.554 -0.453 0.000 2.622 635 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 635 T C 0.936 175.479 174.700 -0.263 0.000 1.047 635 T CA 1.299 63.178 62.100 -0.368 0.000 1.159 635 T CB -0.126 68.630 68.868 -0.187 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.422 636 S N -0.625 114.940 115.700 -0.225 0.000 2.806 636 S HA 0.540 5.010 4.470 -0.000 0.000 0.306 636 S C 0.753 175.254 174.600 -0.164 0.000 1.167 636 S CA -0.443 57.655 58.200 -0.169 0.000 0.847 636 S CB 1.840 64.967 63.200 -0.122 0.000 1.216 636 S HN 0.229 nan 8.310 nan 0.000 0.532 637 Q N 1.477 121.196 119.800 -0.136 0.000 2.014 637 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 637 Q C 1.934 177.865 176.000 -0.117 0.000 0.993 637 Q CA 2.938 58.666 55.803 -0.125 0.000 0.850 637 Q CB -0.895 27.780 28.738 -0.105 0.000 0.916 637 Q HN 0.904 nan 8.270 nan 0.000 0.417 638 E N -1.031 119.103 120.200 -0.109 0.000 2.114 638 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 638 E C 1.826 178.352 176.600 -0.123 0.000 1.008 638 E CA 1.942 58.280 56.400 -0.104 0.000 0.810 638 E CB -0.609 29.031 29.700 -0.100 0.000 0.739 638 E HN 0.290 nan 8.360 nan 0.000 0.456 639 V N 1.368 121.185 119.914 -0.162 0.000 2.307 639 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 639 V C 2.761 178.769 176.094 -0.143 0.000 1.045 639 V CA 2.219 64.402 62.300 -0.195 0.000 1.024 639 V CB -0.947 30.702 31.823 -0.289 0.000 0.651 639 V HN 0.337 nan 8.190 nan 0.000 0.449 640 Q N 0.345 120.074 119.800 -0.118 0.000 2.135 640 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 640 Q C 2.151 178.134 176.000 -0.028 0.000 0.981 640 Q CA 2.052 57.821 55.803 -0.056 0.000 0.856 640 Q CB -0.147 28.548 28.738 -0.072 0.000 0.902 640 Q HN 0.695 nan 8.270 nan 0.000 0.425 641 N N 0.270 118.939 118.700 -0.052 0.000 2.106 641 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 641 N C 1.664 177.162 175.510 -0.019 0.000 1.029 641 N CA 1.532 54.564 53.050 -0.031 0.000 0.848 641 N CB -0.222 38.237 38.487 -0.046 0.000 1.007 641 N HN 0.313 nan 8.380 nan 0.000 0.423 642 S N 0.006 115.677 115.700 -0.048 0.000 2.803 642 S HA 0.133 4.603 4.470 -0.000 0.000 0.226 642 S C 1.508 176.086 174.600 -0.036 0.000 0.962 642 S CA 0.220 58.394 58.200 -0.043 0.000 0.968 642 S CB -0.403 62.753 63.200 -0.073 0.000 0.786 642 S HN 0.263 nan 8.310 nan 0.000 0.527 643 I N -0.894 119.666 120.570 -0.018 0.000 4.228 643 I HA 0.184 4.354 4.170 -0.000 0.000 0.298 643 I C 1.585 177.802 176.117 0.167 0.000 1.206 643 I CA 0.132 61.419 61.300 -0.021 0.000 1.322 643 I CB 0.095 37.996 38.000 -0.164 0.000 1.411 643 I HN 0.203 nan 8.210 nan 0.000 0.454 644 L N 0.830 122.166 121.223 0.188 0.000 2.313 644 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 644 L C 2.563 179.525 176.870 0.153 0.000 1.119 644 L CA 1.134 56.119 54.840 0.241 0.000 0.809 644 L CB -0.458 41.706 42.059 0.175 0.000 0.933 644 L HN 0.308 nan 8.230 nan 0.000 0.449 645 S N -0.869 114.889 115.700 0.097 0.000 2.387 645 S HA -0.011 4.459 4.470 -0.000 0.000 0.221 645 S C 1.368 176.008 174.600 0.067 0.000 1.041 645 S CA 0.225 58.463 58.200 0.063 0.000 0.959 645 S CB -0.457 62.762 63.200 0.031 0.000 0.843 645 S HN 0.428 nan 8.310 nan 0.000 0.488 646 S N 2.334 118.077 115.700 0.071 0.000 2.634 646 S HA 0.257 4.727 4.470 -0.000 0.000 0.254 646 S C 0.279 174.929 174.600 0.084 0.000 1.299 646 S CA -0.603 57.637 58.200 0.066 0.000 0.974 646 S CB -0.209 63.031 63.200 0.066 0.000 1.001 646 S HN 0.422 nan 8.310 nan 0.000 0.584 647 N N 0.379 119.110 118.700 0.053 0.000 2.597 647 N HA 0.096 4.836 4.740 -0.000 0.000 0.269 647 N C 0.179 175.680 175.510 -0.016 0.000 1.204 647 N CA -0.013 53.045 53.050 0.013 0.000 0.947 647 N CB -0.365 38.111 38.487 -0.019 0.000 1.258 647 N HN 0.702 nan 8.380 nan 0.000 0.508 648 Y N 0.526 120.754 120.300 -0.120 0.000 2.274 648 Y HA -0.048 4.502 4.550 -0.000 0.000 0.290 648 Y C -0.022 175.599 175.900 -0.464 0.000 1.145 648 Y CA 1.137 59.081 58.100 -0.261 0.000 1.203 648 Y CB -0.001 38.253 38.460 -0.343 0.000 0.984 648 Y HN -0.088 nan 8.280 nan 0.000 0.533 649 F N 0.435 120.158 119.950 -0.378 0.000 2.399 649 F HA 0.352 4.879 4.527 -0.000 0.000 0.328 649 F C -0.096 175.210 175.800 -0.824 0.000 1.084 649 F CA -0.730 56.685 58.000 -0.976 0.000 1.053 649 F CB 1.125 39.463 39.000 -1.104 0.000 1.209 649 F HN -0.180 nan 8.300 nan 0.000 0.502 650 D N 1.546 121.529 120.400 -0.696 0.000 2.934 650 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 650 D C -0.059 176.133 176.300 -0.181 0.000 1.293 650 D CA -0.234 53.556 54.000 -0.350 0.000 0.812 650 D CB -0.302 40.431 40.800 -0.112 0.000 1.439 650 D HN 0.175 nan 8.370 nan 0.000 0.555 651 F N 0.103 120.085 119.950 0.054 0.000 2.451 651 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 651 F C 1.683 177.503 175.800 0.033 0.000 1.101 651 F CA 0.306 58.347 58.000 0.068 0.000 1.436 651 F CB -0.144 38.866 39.000 0.016 0.000 1.074 651 F HN 0.201 nan 8.300 nan 0.000 0.553 652 D N 0.732 121.200 120.400 0.114 0.000 2.663 652 D HA -0.026 4.614 4.640 -0.000 0.000 0.243 652 D C 0.048 176.351 176.300 0.006 0.000 1.218 652 D CA 0.381 54.414 54.000 0.055 0.000 0.846 652 D CB -0.510 40.306 40.800 0.027 0.000 1.014 652 D HN 0.169 nan 8.370 nan 0.000 0.476 653 N N 1.444 120.148 118.700 0.006 0.000 2.594 653 N HA 0.006 4.746 4.740 -0.000 0.000 0.280 653 N C 0.841 176.281 175.510 -0.117 0.000 1.156 653 N CA -0.434 52.578 53.050 -0.063 0.000 0.831 653 N CB 1.013 39.468 38.487 -0.053 0.000 1.379 653 N HN -0.138 nan 8.380 nan 0.000 0.536 654 L N 2.364 123.474 121.223 -0.188 0.000 2.191 654 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 654 L C 1.746 178.410 176.870 -0.344 0.000 1.103 654 L CA 1.317 56.025 54.840 -0.220 0.000 0.769 654 L CB -0.878 41.049 42.059 -0.219 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.833 118.076 119.070 -0.267 0.000 2.389 655 H HA 0.071 4.627 4.556 -0.000 0.000 0.299 655 H C 0.579 175.596 175.328 -0.517 0.000 1.081 655 H CA 0.352 56.193 56.048 -0.344 0.000 1.345 655 H CB -0.033 29.573 29.762 -0.259 0.000 1.393 655 H HN 0.041 nan 8.280 nan 0.000 0.520 656 V N 2.467 122.146 119.914 -0.392 0.000 2.481 656 V HA 0.171 4.291 4.120 -0.000 0.000 0.286 656 V C 0.139 175.788 176.094 -0.741 0.000 1.042 656 V CA -0.552 61.409 62.300 -0.564 0.000 0.928 656 V CB 1.844 33.404 31.823 -0.437 0.000 0.986 656 V HN 0.342 nan 8.190 nan 0.000 0.462 657 H N 2.744 121.385 119.070 -0.715 0.000 2.679 657 H HA 0.550 5.106 4.556 -0.000 0.000 0.367 657 H C -1.544 173.381 175.328 -0.672 0.000 1.162 657 H CA -0.600 55.104 56.048 -0.573 0.000 1.181 657 H CB 1.918 31.212 29.762 -0.780 0.000 1.693 657 H HN 0.569 nan 8.280 nan 0.000 0.538 658 Y N 1.313 121.671 120.300 0.097 0.000 2.326 658 Y HA 0.276 4.826 4.550 -0.000 0.000 0.331 658 Y C -0.464 175.535 175.900 0.165 0.000 0.962 658 Y CA -0.747 57.447 58.100 0.157 0.000 1.167 658 Y CB 1.252 39.944 38.460 0.387 0.000 1.148 658 Y HN 0.242 nan 8.280 nan 0.000 0.463 659 L N 3.895 125.257 121.223 0.231 0.000 2.334 659 L HA 0.574 4.914 4.340 -0.000 0.000 0.270 659 L C -1.037 175.873 176.870 0.066 0.000 1.018 659 L CA -0.883 54.032 54.840 0.125 0.000 0.811 659 L CB 1.625 43.731 42.059 0.080 0.000 1.271 659 L HN 0.522 nan 8.230 nan 0.000 0.443 660 L N 2.969 124.165 121.223 -0.045 0.000 2.372 660 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 660 L C -1.368 175.357 176.870 -0.242 0.000 0.988 660 L CA -0.147 54.628 54.840 -0.109 0.000 0.833 660 L CB 1.174 43.150 42.059 -0.137 0.000 1.236 660 L HN 0.356 nan 8.230 nan 0.000 0.410 661 L N 4.768 125.805 121.223 -0.308 0.000 2.264 661 L HA 0.581 4.921 4.340 -0.000 0.000 0.289 661 L C 0.678 177.387 176.870 -0.269 0.000 1.044 661 L CA -0.507 53.995 54.840 -0.563 0.000 0.807 661 L CB 1.388 42.751 42.059 -1.161 0.000 1.192 661 L HN 0.713 nan 8.230 nan 0.000 0.425 662 T N -2.513 111.867 114.554 -0.290 0.000 2.884 662 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 662 T C 1.326 176.047 174.700 0.036 0.000 0.976 662 T CA -0.004 61.675 62.100 -0.702 0.000 0.956 662 T CB 1.312 69.564 68.868 -1.027 0.000 1.113 662 T HN 0.688 nan 8.240 nan 0.000 0.554 663 T N -0.911 113.750 114.554 0.178 0.000 2.929 663 T HA -0.021 4.329 4.350 -0.000 0.000 0.271 663 T C 0.667 175.480 174.700 0.189 0.000 1.085 663 T CA 0.336 62.635 62.100 0.332 0.000 1.125 663 T CB -0.664 68.453 68.868 0.415 0.000 0.874 663 T HN 0.600 nan 8.240 nan 0.000 0.494 664 N N 1.312 120.089 118.700 0.128 0.000 2.489 664 N HA 0.412 5.152 4.740 -0.000 0.000 0.284 664 N C 0.950 176.544 175.510 0.141 0.000 1.158 664 N CA -0.264 52.849 53.050 0.105 0.000 0.965 664 N CB 0.948 39.490 38.487 0.093 0.000 1.195 664 N HN 0.287 nan 8.380 nan 0.000 0.506 665 G N -0.183 108.671 108.800 0.090 0.000 3.229 665 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 665 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 665 G C 0.434 175.552 174.900 0.363 0.000 1.256 665 G CA 0.206 45.374 45.100 0.114 0.000 1.042 665 G HN 0.641 nan 8.290 nan 0.000 0.497 666 T N -2.563 112.180 114.554 0.315 0.000 2.907 666 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 666 T C -0.536 174.190 174.700 0.044 0.000 1.004 666 T CA -0.791 61.467 62.100 0.263 0.000 1.063 666 T CB 2.597 71.550 68.868 0.141 0.000 0.992 666 T HN -0.043 nan 8.240 nan 0.000 0.483 667 V N 3.910 123.632 119.914 -0.321 0.000 2.789 667 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 667 V C -0.231 175.641 176.094 -0.370 0.000 1.073 667 V CA -1.029 60.946 62.300 -0.540 0.000 0.921 667 V CB 1.772 32.991 31.823 -1.006 0.000 1.009 667 V HN 1.160 nan 8.190 nan 0.000 0.426 668 M N 1.350 120.822 119.600 -0.214 0.000 2.465 668 M HA 0.692 5.172 4.480 -0.000 0.000 0.284 668 M C -1.057 175.224 176.300 -0.032 0.000 1.212 668 M CA -0.613 54.632 55.300 -0.091 0.000 0.910 668 M CB 2.465 35.053 32.600 -0.019 0.000 1.725 668 M HN 0.623 nan 8.290 nan 0.000 0.477 669 E N 2.007 122.207 120.200 -0.000 0.000 2.283 669 E HA 0.703 5.053 4.350 -0.000 0.000 0.271 669 E C -1.619 175.014 176.600 0.057 0.000 1.031 669 E CA -0.669 55.764 56.400 0.055 0.000 0.868 669 E CB 1.544 31.263 29.700 0.032 0.000 1.094 669 E HN 0.710 nan 8.360 nan 0.000 0.401 670 I N 2.246 122.896 120.570 0.133 0.000 2.530 670 I HA 0.482 4.652 4.170 -0.000 0.000 0.297 670 I C 0.149 176.199 176.117 -0.110 0.000 1.011 670 I CA -0.399 60.917 61.300 0.028 0.000 1.107 670 I CB 1.939 39.995 38.000 0.094 0.000 1.285 670 I HN 0.698 nan 8.210 nan 0.000 0.436 671 A N 3.698 126.190 122.820 -0.547 0.000 2.584 671 A HA 0.533 4.853 4.320 -0.000 0.000 0.220 671 A C 0.201 177.077 177.584 -1.180 0.000 1.182 671 A CA 0.163 51.612 52.037 -0.980 0.000 1.043 671 A CB 0.021 18.833 19.000 -0.313 0.000 1.164 671 A HN 0.782 nan 8.150 nan 0.000 0.506 672 G N 0.000 108.266 108.800 -0.890 0.000 5.446 672 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 672 G CA 0.000 44.786 45.100 -0.523 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925