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_U 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 0.000 176.731 176.870 -0.232 0.000 1.165 20 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 20 L CB 0.000 42.131 42.059 0.120 0.000 0.961 21 S N -0.717 114.617 115.700 -0.610 0.000 3.783 21 S HA -0.067 4.403 4.470 0.000 0.000 0.360 21 S C -0.221 173.729 174.600 -1.083 0.000 1.006 21 S CA 1.287 58.590 58.200 -1.495 0.000 1.115 21 S CB -1.594 61.159 63.200 -0.745 0.000 0.893 21 S HN 1.071 nan 8.310 nan 0.000 0.475 22 E N -0.517 119.222 120.200 -0.768 0.000 2.846 22 E HA 0.540 4.890 4.350 0.000 0.000 0.363 22 E C -1.223 175.352 176.600 -0.042 0.000 0.933 22 E CA -0.296 55.888 56.400 -0.359 0.000 0.766 22 E CB 1.105 30.668 29.700 -0.227 0.000 1.404 22 E HN 0.238 nan 8.360 nan 0.000 0.408 23 V N 3.978 123.935 119.914 0.072 0.000 3.049 23 V HA 0.691 4.811 4.120 0.000 0.000 0.309 23 V C -0.887 175.265 176.094 0.096 0.000 1.148 23 V CA -0.950 61.433 62.300 0.139 0.000 0.990 23 V CB 2.373 34.331 31.823 0.225 0.000 1.039 23 V HN 0.545 nan 8.190 nan 0.000 0.430 24 K N 3.357 123.803 120.400 0.076 0.000 2.553 24 K HA 0.591 4.911 4.320 0.000 0.000 0.250 24 K C -1.889 174.735 176.600 0.040 0.000 0.953 24 K CA -0.586 55.719 56.287 0.030 0.000 0.800 24 K CB 1.977 34.460 32.500 -0.029 0.000 1.243 24 K HN 0.605 nan 8.250 nan 0.000 0.435 25 L N 1.542 122.779 121.223 0.023 0.000 2.343 25 L HA 0.513 4.853 4.340 0.000 0.000 0.275 25 L C -0.109 176.714 176.870 -0.079 0.000 1.056 25 L CA -0.239 54.647 54.840 0.076 0.000 0.804 25 L CB 0.799 42.916 42.059 0.097 0.000 1.203 25 L HN 0.460 nan 8.230 nan 0.000 0.440 26 H N 3.154 122.179 119.070 -0.075 0.000 2.643 26 H HA 0.374 4.930 4.556 0.000 0.000 0.259 26 H C 0.032 175.320 175.328 -0.068 0.000 1.298 26 H CA -0.579 55.337 56.048 -0.221 0.000 1.301 26 H CB 1.222 30.790 29.762 -0.322 0.000 1.422 26 H HN 0.622 nan 8.280 nan 0.000 0.521 27 L N 1.478 122.762 121.223 0.101 0.000 2.348 27 L HA -0.029 4.311 4.340 0.000 0.000 0.200 27 L C 0.167 177.112 176.870 0.125 0.000 1.154 27 L CA 0.793 55.718 54.840 0.143 0.000 0.856 27 L CB 0.411 42.613 42.059 0.239 0.000 1.297 27 L HN 0.591 nan 8.230 nan 0.000 0.550 28 D N -0.751 119.725 120.400 0.127 0.000 2.296 28 D HA 0.298 4.938 4.640 0.000 0.000 0.224 28 D C -0.369 175.997 176.300 0.111 0.000 1.324 28 D CA -0.314 53.755 54.000 0.116 0.000 0.940 28 D CB 0.566 41.417 40.800 0.086 0.000 1.492 28 D HN 0.241 nan 8.370 nan 0.000 0.531 29 I N 0.467 121.116 120.570 0.132 0.000 3.128 29 I HA 0.248 4.418 4.170 0.000 0.000 0.196 29 I C 0.774 176.960 176.117 0.115 0.000 1.391 29 I CA -0.679 60.690 61.300 0.114 0.000 0.639 29 I CB 0.249 38.315 38.000 0.110 0.000 1.842 29 I HN 0.331 nan 8.210 nan 0.000 0.971 30 E N 0.803 121.073 120.200 0.116 0.000 2.180 30 E HA 0.259 4.609 4.350 0.000 0.000 0.283 30 E C 0.621 177.350 176.600 0.214 0.000 1.061 30 E CA 0.661 57.135 56.400 0.123 0.000 0.861 30 E CB 0.227 29.983 29.700 0.093 0.000 1.056 30 E HN 0.667 nan 8.360 nan 0.000 0.407 31 G N 4.158 113.034 108.800 0.128 0.000 2.284 31 G HA2 -0.338 3.622 3.960 0.000 0.000 0.268 31 G HA3 -0.338 3.622 3.960 0.000 0.000 0.268 31 G C -0.030 174.830 174.900 -0.068 0.000 0.980 31 G CA 1.156 46.284 45.100 0.047 0.000 0.631 31 G HN 0.678 nan 8.290 nan 0.000 0.548 32 H N -0.029 119.065 119.070 0.039 0.000 2.524 32 H HA 0.713 5.269 4.556 0.000 0.000 0.353 32 H C 0.335 175.705 175.328 0.070 0.000 1.136 32 H CA 0.045 56.120 56.048 0.045 0.000 1.193 32 H CB 1.802 31.585 29.762 0.035 0.000 1.558 32 H HN 0.506 nan 8.280 nan 0.000 0.515 33 A N 2.403 125.333 122.820 0.183 0.000 2.269 33 A HA 0.481 4.801 4.320 0.000 0.000 0.302 33 A C -0.214 177.531 177.584 0.268 0.000 1.266 33 A CA -0.501 51.663 52.037 0.213 0.000 0.894 33 A CB 0.105 19.257 19.000 0.253 0.000 1.147 33 A HN 0.630 nan 8.150 nan 0.000 0.537 34 S N 1.260 117.091 115.700 0.218 0.000 2.585 34 S HA 0.529 4.999 4.470 0.000 0.000 0.277 34 S C -0.769 173.885 174.600 0.090 0.000 1.241 34 S CA -0.272 57.998 58.200 0.117 0.000 1.041 34 S CB 0.466 63.738 63.200 0.121 0.000 0.987 34 S HN 0.716 nan 8.310 nan 0.000 0.512 35 H N 1.200 120.030 119.070 -0.401 0.000 2.860 35 H HA 0.440 4.996 4.556 0.000 0.000 0.312 35 H C -1.492 173.513 175.328 -0.539 0.000 0.995 35 H CA -0.301 55.521 56.048 -0.377 0.000 1.311 35 H CB 0.329 29.940 29.762 -0.251 0.000 1.478 35 H HN 0.487 nan 8.280 nan 0.000 0.508 36 Y N 0.944 121.198 120.300 -0.077 0.000 2.376 36 Y HA 0.429 4.979 4.550 0.000 0.000 0.340 36 Y C 0.251 176.105 175.900 -0.077 0.000 0.965 36 Y CA -1.030 57.043 58.100 -0.046 0.000 1.078 36 Y CB 1.983 40.428 38.460 -0.025 0.000 1.193 36 Y HN 0.503 nan 8.280 nan 0.000 0.452 37 T N 1.342 115.956 114.554 0.101 0.000 2.791 37 T HA 0.660 5.010 4.350 0.000 0.000 0.288 37 T C -0.626 174.116 174.700 0.069 0.000 0.999 37 T CA -0.588 61.539 62.100 0.045 0.000 0.952 37 T CB 0.147 69.020 68.868 0.008 0.000 0.938 37 T HN 0.500 nan 8.240 nan 0.000 0.444 38 I N 5.262 125.881 120.570 0.082 0.000 2.310 38 I HA 0.297 4.467 4.170 0.000 0.000 0.287 38 I C -2.386 173.793 176.117 0.103 0.000 1.073 38 I CA -2.467 58.897 61.300 0.106 0.000 1.216 38 I CB 1.345 39.430 38.000 0.141 0.000 1.415 38 I HN 0.390 nan 8.210 nan 0.000 0.480 39 P HA 0.050 nan 4.420 nan 0.000 0.256 39 P C 0.654 177.909 177.300 -0.075 0.000 1.689 39 P CA -0.439 62.588 63.100 -0.122 0.000 1.124 39 P CB -0.060 31.576 31.700 -0.107 0.000 1.766 40 W N 1.601 122.884 121.300 -0.027 0.000 2.721 40 W HA -0.065 4.595 4.660 0.000 0.000 0.245 40 W C 0.994 177.501 176.519 -0.020 0.000 1.276 40 W CA 0.722 58.053 57.345 -0.025 0.000 1.342 40 W CB -2.024 27.416 29.460 -0.035 0.000 1.135 40 W HN 0.178 nan 8.180 nan 0.000 0.654 41 T N 1.132 115.502 114.554 -0.307 0.000 2.737 41 T HA -0.263 4.087 4.350 0.000 0.000 0.265 41 T C 1.762 176.411 174.700 -0.086 0.000 1.038 41 T CA 2.216 64.161 62.100 -0.259 0.000 1.144 41 T CB -0.194 68.445 68.868 -0.383 0.000 0.866 41 T HN 0.307 nan 8.240 nan 0.000 0.434 42 E N -0.255 119.902 120.200 -0.073 0.000 2.158 42 E HA -0.023 4.327 4.350 0.000 0.000 0.191 42 E C 2.354 178.961 176.600 0.012 0.000 0.982 42 E CA 0.517 56.900 56.400 -0.029 0.000 0.823 42 E CB -0.186 29.495 29.700 -0.031 0.000 0.766 42 E HN 0.536 nan 8.360 nan 0.000 0.468 43 L N 0.394 121.642 121.223 0.042 0.000 2.046 43 L HA -0.177 4.163 4.340 0.000 0.000 0.208 43 L C 2.754 179.668 176.870 0.073 0.000 1.077 43 L CA 1.127 56.007 54.840 0.067 0.000 0.747 43 L CB -0.321 41.801 42.059 0.105 0.000 0.896 43 L HN 0.285 nan 8.230 nan 0.000 0.432 44 M N -0.886 118.772 119.600 0.098 0.000 2.267 44 M HA -0.207 4.273 4.480 0.000 0.000 0.263 44 M C 2.342 178.678 176.300 0.059 0.000 1.063 44 M CA 1.645 57.001 55.300 0.094 0.000 1.090 44 M CB -0.478 32.199 32.600 0.129 0.000 1.392 44 M HN 0.344 nan 8.290 nan 0.000 0.422 45 A N 0.328 123.172 122.820 0.041 0.000 1.874 45 A HA -0.090 4.230 4.320 0.000 0.000 0.214 45 A C 2.066 179.667 177.584 0.028 0.000 1.189 45 A CA 1.233 53.287 52.037 0.028 0.000 0.615 45 A CB -0.300 18.709 19.000 0.014 0.000 0.830 45 A HN 0.365 nan 8.150 nan 0.000 0.443 46 K N -0.727 119.689 120.400 0.027 0.000 2.432 46 K HA 0.157 4.477 4.320 0.000 0.000 0.196 46 K C -0.601 176.017 176.600 0.030 0.000 1.038 46 K CA 0.210 56.512 56.287 0.025 0.000 0.986 46 K CB 0.168 32.681 32.500 0.022 0.000 0.782 46 K HN 0.321 nan 8.250 nan 0.000 0.485 47 V N 1.585 121.521 119.914 0.037 0.000 2.680 47 V HA 0.146 4.266 4.120 0.000 0.000 0.309 47 V C -1.677 174.441 176.094 0.041 0.000 1.052 47 V CA -1.420 60.903 62.300 0.038 0.000 0.908 47 V CB 1.781 33.629 31.823 0.041 0.000 1.001 47 V HN -0.015 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.351 178.674 177.300 0.038 0.000 1.173 48 P CA 1.206 64.331 63.100 0.040 0.000 0.898 48 P CB 0.409 32.134 31.700 0.043 0.000 0.758 49 G N 0.251 109.073 108.800 0.036 0.000 2.776 49 G HA2 -0.033 3.927 3.960 0.000 0.000 0.209 49 G HA3 -0.033 3.927 3.960 0.000 0.000 0.209 49 G C 0.757 175.674 174.900 0.029 0.000 1.145 49 G CA -0.257 44.862 45.100 0.031 0.000 0.791 49 G HN 0.225 nan 8.290 nan 0.000 0.530 50 L N 2.838 124.080 121.223 0.032 0.000 2.454 50 L HA 0.261 4.601 4.340 0.000 0.000 0.284 50 L C 0.087 176.976 176.870 0.032 0.000 1.139 50 L CA -0.436 54.420 54.840 0.027 0.000 0.911 50 L CB 0.474 42.555 42.059 0.037 0.000 1.262 50 L HN 0.131 nan 8.230 nan 0.000 0.453 51 S N 4.257 119.966 115.700 0.016 0.000 2.328 51 S HA 0.340 4.810 4.470 0.000 0.000 0.204 51 S C -1.428 173.156 174.600 -0.026 0.000 1.475 51 S CA -1.197 57.011 58.200 0.014 0.000 1.148 51 S CB 0.821 64.035 63.200 0.024 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 0.217 52 P C 1.281 178.477 177.300 -0.173 0.000 1.151 52 P CA 1.327 64.309 63.100 -0.196 0.000 0.849 52 P CB 0.235 31.678 31.700 -0.429 0.000 0.787 53 E N -0.029 120.076 120.200 -0.158 0.000 2.097 53 E HA -0.170 4.180 4.350 0.000 0.000 0.196 53 E C 2.188 178.816 176.600 0.046 0.000 1.000 53 E CA 1.653 58.011 56.400 -0.070 0.000 0.804 53 E CB -0.811 28.872 29.700 -0.029 0.000 0.740 53 E HN 0.253 nan 8.360 nan 0.000 0.454 54 A N 0.828 123.671 122.820 0.039 0.000 1.855 54 A HA -0.106 4.214 4.320 0.000 0.000 0.215 54 A C 2.458 180.099 177.584 0.096 0.000 1.191 54 A CA 1.088 53.165 52.037 0.068 0.000 0.613 54 A CB -0.788 18.245 19.000 0.056 0.000 0.829 54 A HN 0.210 nan 8.150 nan 0.000 0.442 55 L N -1.433 119.832 121.223 0.071 0.000 2.042 55 L HA -0.233 4.107 4.340 0.000 0.000 0.210 55 L C 2.632 179.587 176.870 0.142 0.000 1.076 55 L CA 1.578 56.462 54.840 0.074 0.000 0.749 55 L CB -0.523 41.477 42.059 -0.097 0.000 0.893 55 L HN 0.800 nan 8.230 nan 0.000 0.432 56 W N 1.314 122.578 121.300 -0.061 0.000 2.374 56 W HA -0.242 4.418 4.660 0.000 0.000 0.288 56 W C 2.526 179.050 176.519 0.008 0.000 1.218 56 W CA 1.460 58.774 57.345 -0.052 0.000 1.245 56 W CB 0.001 29.379 29.460 -0.137 0.000 1.126 56 W HN 0.113 nan 8.180 nan 0.000 0.545 57 R N 0.982 121.526 120.500 0.074 0.000 2.100 57 R HA -0.057 4.283 4.340 0.000 0.000 0.220 57 R C 2.155 178.447 176.300 -0.014 0.000 1.091 57 R CA 1.752 57.850 56.100 -0.003 0.000 0.986 57 R CB -0.835 29.512 30.300 0.077 0.000 0.888 57 R HN 0.144 nan 8.270 nan 0.000 0.444 58 E N 0.353 120.593 120.200 0.067 0.000 2.070 58 E HA -0.143 4.207 4.350 0.000 0.000 0.197 58 E C 0.048 176.659 176.600 0.018 0.000 1.004 58 E CA 1.268 57.722 56.400 0.090 0.000 0.805 58 E CB -0.243 29.597 29.700 0.232 0.000 0.744 58 E HN 0.339 nan 8.360 nan 0.000 0.451 59 A N 2.287 125.127 122.820 0.034 0.000 2.437 59 A HA 0.070 4.390 4.320 0.000 0.000 0.303 59 A C -0.056 177.404 177.584 -0.207 0.000 1.324 59 A CA -0.352 51.639 52.037 -0.078 0.000 0.983 59 A CB -0.039 18.978 19.000 0.029 0.000 1.142 59 A HN 0.048 nan 8.150 nan 0.000 0.541 60 N N 2.895 121.500 118.700 -0.158 0.000 2.349 60 N HA -0.035 4.705 4.740 0.000 0.000 0.296 60 N C 1.306 176.680 175.510 -0.227 0.000 1.304 60 N CA 0.112 53.063 53.050 -0.166 0.000 1.051 60 N CB 0.415 38.839 38.487 -0.104 0.000 1.466 60 N HN 0.444 nan 8.380 nan 0.000 0.487 61 V N 1.433 121.128 119.914 -0.366 0.000 2.594 61 V HA -0.202 3.918 4.120 0.000 0.000 0.253 61 V C 2.191 178.164 176.094 -0.202 0.000 1.069 61 V CA 2.168 64.216 62.300 -0.420 0.000 1.082 61 V CB -0.750 30.598 31.823 -0.791 0.000 0.680 61 V HN 0.709 nan 8.190 nan 0.000 0.469 62 T N -2.368 112.101 114.554 -0.141 0.000 3.060 62 T HA 0.060 4.410 4.350 0.000 0.000 0.249 62 T C 0.787 175.447 174.700 -0.067 0.000 1.079 62 T CA -0.071 61.987 62.100 -0.070 0.000 1.013 62 T CB -0.261 68.585 68.868 -0.036 0.000 0.975 62 T HN 0.560 nan 8.240 nan 0.000 0.518 63 E N 3.879 124.026 120.200 -0.088 0.000 2.752 63 E HA -0.058 4.292 4.350 0.000 0.000 0.241 63 E C 0.000 176.558 176.600 -0.070 0.000 1.016 63 E CA -0.328 56.025 56.400 -0.078 0.000 0.952 63 E CB 0.152 29.795 29.700 -0.095 0.000 0.921 63 E HN 0.575 nan 8.360 nan 0.000 0.515 64 D N 4.381 124.749 120.400 -0.054 0.000 2.472 64 D HA -0.138 4.502 4.640 0.000 0.000 0.237 64 D C 1.329 177.595 176.300 -0.056 0.000 1.141 64 D CA -0.110 53.862 54.000 -0.047 0.000 0.875 64 D CB 0.992 41.770 40.800 -0.036 0.000 1.192 64 D HN 0.543 nan 8.370 nan 0.000 0.450 65 L N 2.101 123.293 121.223 -0.053 0.000 2.034 65 L HA -0.342 3.998 4.340 0.000 0.000 0.217 65 L C 2.733 179.569 176.870 -0.057 0.000 1.077 65 L CA 2.261 57.065 54.840 -0.059 0.000 0.769 65 L CB -0.567 41.463 42.059 -0.049 0.000 0.890 65 L HN 0.692 nan 8.230 nan 0.000 0.435 66 A N -1.306 121.487 122.820 -0.046 0.000 1.845 66 A HA -0.268 4.052 4.320 0.000 0.000 0.215 66 A C 2.489 180.044 177.584 -0.048 0.000 1.195 66 A CA 2.172 54.184 52.037 -0.042 0.000 0.616 66 A CB -0.947 18.033 19.000 -0.034 0.000 0.832 66 A HN 0.393 nan 8.150 nan 0.000 0.443 67 S N -0.752 114.917 115.700 -0.052 0.000 2.374 67 S HA -0.263 4.207 4.470 0.000 0.000 0.227 67 S C 2.143 176.694 174.600 -0.081 0.000 1.037 67 S CA 2.053 60.217 58.200 -0.060 0.000 1.024 67 S CB -0.541 62.626 63.200 -0.056 0.000 0.861 67 S HN 0.610 nan 8.310 nan 0.000 0.456 68 M N 0.288 119.834 119.600 -0.089 0.000 2.106 68 M HA -0.167 4.313 4.480 0.000 0.000 0.259 68 M C 1.846 178.087 176.300 -0.099 0.000 1.068 68 M CA 1.703 56.934 55.300 -0.115 0.000 1.100 68 M CB -0.400 32.122 32.600 -0.129 0.000 1.351 68 M HN 0.352 nan 8.290 nan 0.000 0.404 69 L N 2.160 123.348 121.223 -0.060 0.000 1.997 69 L HA -0.293 4.047 4.340 0.000 0.000 0.216 69 L C 2.163 179.033 176.870 -0.001 0.000 1.074 69 L CA 2.730 57.575 54.840 0.008 0.000 0.763 69 L CB -1.278 40.783 42.059 0.003 0.000 0.890 69 L HN 0.648 nan 8.230 nan 0.000 0.434 70 N N -1.011 117.659 118.700 -0.051 0.000 2.520 70 N HA -0.206 4.534 4.740 0.000 0.000 0.185 70 N C 1.708 177.155 175.510 -0.105 0.000 1.068 70 N CA 0.902 53.910 53.050 -0.070 0.000 0.911 70 N CB -0.537 37.913 38.487 -0.063 0.000 0.961 70 N HN 0.348 nan 8.380 nan 0.000 0.446 71 R N -0.865 119.549 120.500 -0.142 0.000 2.240 71 R HA -0.064 4.276 4.340 0.000 0.000 0.203 71 R C 1.227 177.496 176.300 -0.052 0.000 1.011 71 R CA 0.625 56.568 56.100 -0.262 0.000 1.007 71 R CB -0.112 29.993 30.300 -0.326 0.000 0.911 71 R HN 0.559 nan 8.270 nan 0.000 0.468 72 Y N 0.257 120.472 120.300 -0.143 0.000 2.581 72 Y HA 0.183 4.733 4.550 0.000 0.000 0.271 72 Y C 1.416 177.337 175.900 0.035 0.000 1.100 72 Y CA 0.111 58.146 58.100 -0.108 0.000 1.281 72 Y CB 0.244 38.362 38.460 -0.571 0.000 1.237 72 Y HN -0.077 nan 8.280 nan 0.000 0.514 73 K N 0.267 120.379 120.400 -0.479 0.000 2.525 73 K HA -0.005 4.315 4.320 0.000 0.000 0.192 73 K C 1.030 177.601 176.600 -0.049 0.000 1.029 73 K CA 0.966 56.986 56.287 -0.445 0.000 1.029 73 K CB 0.069 32.423 32.500 -0.243 0.000 0.814 73 K HN 0.415 nan 8.250 nan 0.000 0.503 74 L N 0.971 122.194 121.223 0.001 0.000 2.616 74 L HA 0.315 4.655 4.340 0.000 0.000 0.229 74 L C -0.136 176.789 176.870 0.093 0.000 1.110 74 L CA -0.019 54.906 54.840 0.142 0.000 0.884 74 L CB 0.347 42.454 42.059 0.080 0.000 1.115 74 L HN 0.098 nan 8.230 nan 0.000 0.481 75 I N 0.536 121.099 120.570 -0.012 0.000 2.395 75 I HA 0.057 4.227 4.170 0.000 0.000 0.289 75 I C 0.028 175.849 176.117 -0.493 0.000 1.023 75 I CA -0.643 60.595 61.300 -0.103 0.000 1.350 75 I CB 0.367 38.426 38.000 0.100 0.000 1.409 75 I HN 0.051 nan 8.210 nan 0.000 0.507 76 Y N 7.827 127.651 120.300 -0.794 0.000 2.805 76 Y HA -0.049 4.501 4.550 0.000 0.000 0.337 76 Y C 0.166 175.699 175.900 -0.613 0.000 1.252 76 Y CA 0.432 57.829 58.100 -1.172 0.000 1.515 76 Y CB 0.368 38.408 38.460 -0.701 0.000 1.305 76 Y HN 0.365 nan 8.280 nan 0.000 0.600 77 K N 4.939 124.615 120.400 -1.206 0.000 2.425 77 K HA 0.105 4.425 4.320 0.000 0.000 0.259 77 K C -0.474 175.510 176.600 -1.026 0.000 0.978 77 K CA -0.610 55.252 56.287 -0.707 0.000 0.883 77 K CB 1.516 33.892 32.500 -0.206 0.000 1.110 77 K HN 0.752 nan 8.250 nan 0.000 0.436 78 T N 2.154 116.284 114.554 -0.707 0.000 2.734 78 T HA -0.022 4.328 4.350 0.000 0.000 0.269 78 T C 0.339 174.895 174.700 -0.240 0.000 0.964 78 T CA -0.054 61.790 62.100 -0.427 0.000 1.226 78 T CB -0.475 68.306 68.868 -0.145 0.000 0.910 78 T HN 0.487 nan 8.240 nan 0.000 0.534 79 S N 4.257 119.841 115.700 -0.194 0.000 2.858 79 S HA 0.402 4.872 4.470 0.000 0.000 0.328 79 S C 0.950 175.533 174.600 -0.029 0.000 1.149 79 S CA -0.327 57.829 58.200 -0.074 0.000 1.421 79 S CB -0.933 62.261 63.200 -0.009 0.000 1.461 79 S HN 1.545 nan 8.310 nan 0.000 0.587 80 G N 2.560 111.340 108.800 -0.033 0.000 3.450 80 G HA2 -0.154 3.806 3.960 0.000 0.000 0.668 80 G HA3 -0.154 3.806 3.960 0.000 0.000 0.668 80 G C -0.280 174.613 174.900 -0.012 0.000 0.941 80 G CA -0.672 44.421 45.100 -0.013 0.000 0.766 80 G HN 0.760 nan 8.290 nan 0.000 0.451 81 T N 3.710 118.256 114.554 -0.013 0.000 2.782 81 T HA 0.444 4.794 4.350 0.000 0.000 0.298 81 T C 0.908 175.602 174.700 -0.011 0.000 0.944 81 T CA 0.143 62.233 62.100 -0.016 0.000 1.001 81 T CB 0.254 69.115 68.868 -0.013 0.000 0.932 81 T HN 1.176 nan 8.240 nan 0.000 0.524 82 L N 1.804 123.020 121.223 -0.012 0.000 2.290 82 L HA 0.832 5.172 4.340 0.000 0.000 0.284 82 L C 0.465 177.330 176.870 -0.007 0.000 1.078 82 L CA -0.465 54.376 54.840 0.001 0.000 0.815 82 L CB 0.382 42.449 42.059 0.014 0.000 1.162 82 L HN 0.440 nan 8.230 nan 0.000 0.435 83 G N 3.936 112.747 108.800 0.019 0.000 2.410 83 G HA2 0.757 4.717 3.960 0.000 0.000 0.330 83 G HA3 0.757 4.717 3.960 0.000 0.000 0.330 83 G C -0.851 174.100 174.900 0.084 0.000 1.142 83 G CA -0.756 44.370 45.100 0.042 0.000 0.902 83 G HN 0.677 nan 8.290 nan 0.000 0.491 84 I N 1.269 121.927 120.570 0.146 0.000 2.468 84 I HA 0.344 4.514 4.170 0.000 0.000 0.285 84 I C 0.600 176.820 176.117 0.171 0.000 1.039 84 I CA -0.866 60.529 61.300 0.159 0.000 1.074 84 I CB 2.014 40.133 38.000 0.198 0.000 1.228 84 I HN 0.617 nan 8.210 nan 0.000 0.436 85 A N 8.290 131.181 122.820 0.119 0.000 2.540 85 A HA 0.397 4.718 4.320 0.000 0.000 0.264 85 A C -0.395 177.254 177.584 0.108 0.000 1.080 85 A CA 0.818 52.918 52.037 0.105 0.000 0.776 85 A CB -0.269 18.775 19.000 0.075 0.000 1.011 85 A HN 0.682 nan 8.150 nan 0.000 0.514 86 L N 1.119 122.417 121.223 0.124 0.000 2.403 86 L HA 0.866 5.206 4.340 0.000 0.000 0.253 86 L C -0.062 176.872 176.870 0.106 0.000 1.045 86 L CA -0.800 54.101 54.840 0.102 0.000 0.845 86 L CB 2.437 44.554 42.059 0.097 0.000 1.447 86 L HN 0.762 nan 8.230 nan 0.000 0.411 87 A N 0.706 123.576 122.820 0.083 0.000 2.480 87 A HA 0.415 4.735 4.320 0.000 0.000 0.289 87 A C -0.894 176.736 177.584 0.078 0.000 1.044 87 A CA -0.522 51.570 52.037 0.092 0.000 0.761 87 A CB 1.137 20.175 19.000 0.064 0.000 1.289 87 A HN 0.727 nan 8.150 nan 0.000 0.401 88 E N 1.940 122.215 120.200 0.124 0.000 2.604 88 E HA 0.101 4.451 4.350 0.000 0.000 0.267 88 E C -1.953 174.677 176.600 0.050 0.000 0.970 88 E CA -0.231 56.227 56.400 0.096 0.000 0.956 88 E CB 0.327 30.128 29.700 0.168 0.000 0.939 88 E HN 0.454 nan 8.360 nan 0.000 0.465 89 P HA 0.043 nan 4.420 nan 0.000 0.278 89 P C -1.054 176.257 177.300 0.019 0.000 1.258 89 P CA -0.513 62.604 63.100 0.027 0.000 0.811 89 P CB 0.647 32.367 31.700 0.034 0.000 1.063 90 V N 2.317 122.237 119.914 0.010 0.000 2.364 90 V HA 0.040 4.160 4.120 0.000 0.000 0.252 90 V C 0.286 176.358 176.094 -0.037 0.000 1.075 90 V CA 0.552 62.840 62.300 -0.021 0.000 1.033 90 V CB -0.831 30.981 31.823 -0.018 0.000 1.116 90 V HN 0.413 nan 8.190 nan 0.000 0.488 91 D N 4.842 125.181 120.400 -0.100 0.000 2.130 91 D HA 0.183 4.823 4.640 0.000 0.000 0.292 91 D C 0.578 176.499 176.300 -0.633 0.000 1.146 91 D CA 0.328 54.195 54.000 -0.222 0.000 0.883 91 D CB 0.125 40.823 40.800 -0.169 0.000 0.936 91 D HN 0.538 nan 8.370 nan 0.000 0.298 92 I N 3.188 123.117 120.570 -1.068 0.000 2.996 92 I HA -0.060 4.110 4.170 0.000 0.000 0.310 92 I C -1.710 174.092 176.117 -0.525 0.000 1.225 92 I CA -0.292 60.304 61.300 -1.173 0.000 1.442 92 I CB -0.688 36.779 38.000 -0.888 0.000 1.334 92 I HN 0.083 nan 8.210 nan 0.000 0.550 93 P HA 0.287 nan 4.420 nan 0.000 0.278 93 P C -0.563 176.658 177.300 -0.133 0.000 1.238 93 P CA -0.569 62.438 63.100 -0.156 0.000 0.794 93 P CB 0.951 32.619 31.700 -0.054 0.000 0.955 94 A N 3.159 125.922 122.820 -0.095 0.000 2.507 94 A HA 0.068 4.388 4.320 0.000 0.000 0.235 94 A C 0.631 178.182 177.584 -0.056 0.000 1.070 94 A CA -0.330 51.662 52.037 -0.075 0.000 0.768 94 A CB -0.246 18.720 19.000 -0.056 0.000 1.011 94 A HN 0.524 nan 8.150 nan 0.000 0.502 95 V N 2.663 122.547 119.914 -0.049 0.000 2.872 95 V HA 0.128 4.248 4.120 0.000 0.000 0.302 95 V C 1.008 177.087 176.094 -0.024 0.000 1.166 95 V CA 0.844 63.124 62.300 -0.033 0.000 1.298 95 V CB 0.146 31.953 31.823 -0.028 0.000 0.894 95 V HN 1.269 nan 8.190 nan 0.000 0.509 96 S N 4.254 119.944 115.700 -0.016 0.000 2.614 96 S HA 0.245 4.715 4.470 0.000 0.000 0.265 96 S C 0.772 175.364 174.600 -0.013 0.000 1.303 96 S CA 0.187 58.378 58.200 -0.015 0.000 1.000 96 S CB 1.297 64.489 63.200 -0.012 0.000 0.935 96 S HN 0.923 nan 8.310 nan 0.000 0.551 97 E N 1.889 122.081 120.200 -0.013 0.000 1.983 97 E HA -0.158 4.192 4.350 0.000 0.000 0.208 97 E C 2.213 178.808 176.600 -0.009 0.000 1.006 97 E CA 1.562 57.955 56.400 -0.011 0.000 0.872 97 E CB -1.175 28.518 29.700 -0.011 0.000 0.806 97 E HN 0.827 nan 8.360 nan 0.000 0.510 98 G N 0.302 109.098 108.800 -0.008 0.000 2.505 98 G HA2 -0.332 3.628 3.960 0.000 0.000 0.220 98 G HA3 -0.332 3.628 3.960 0.000 0.000 0.220 98 G C 0.632 175.531 174.900 -0.002 0.000 1.145 98 G CA 1.268 46.365 45.100 -0.004 0.000 0.761 98 G HN 0.629 nan 8.290 nan 0.000 0.571 99 S N -2.691 113.008 115.700 -0.002 0.000 3.650 99 S HA -0.124 4.346 4.470 0.000 0.000 0.800 99 S C -0.390 174.214 174.600 0.007 0.000 1.435 99 S CA 0.871 59.071 58.200 0.001 0.000 1.244 99 S CB -0.379 62.820 63.200 -0.002 0.000 0.437 99 S HN 0.710 nan 8.310 nan 0.000 0.571 100 M N 2.701 122.308 119.600 0.011 0.000 2.106 100 M HA 0.338 4.818 4.480 0.000 0.000 0.241 100 M C -0.581 175.728 176.300 0.016 0.000 0.946 100 M CA -0.290 55.020 55.300 0.017 0.000 1.024 100 M CB 1.138 33.751 32.600 0.023 0.000 2.191 100 M HN 0.784 nan 8.290 nan 0.000 0.429 101 Q N 2.119 121.929 119.800 0.017 0.000 2.318 101 Q HA 0.207 4.547 4.340 0.000 0.000 0.270 101 Q C -0.954 175.059 176.000 0.022 0.000 1.237 101 Q CA 0.597 56.410 55.803 0.016 0.000 0.937 101 Q CB -0.178 28.572 28.738 0.020 0.000 1.375 101 Q HN 0.451 nan 8.270 nan 0.000 0.452 102 V N 4.082 123.997 119.914 0.001 0.000 2.325 102 V HA 0.166 4.286 4.120 0.000 0.000 0.280 102 V C -0.510 175.552 176.094 -0.053 0.000 1.016 102 V CA -1.116 61.171 62.300 -0.023 0.000 0.818 102 V CB 1.460 33.265 31.823 -0.030 0.000 1.019 102 V HN 0.710 nan 8.190 nan 0.000 0.434 103 D N 4.183 124.546 120.400 -0.063 0.000 2.348 103 D HA 0.426 5.066 4.640 0.000 0.000 0.253 103 D C 1.161 177.382 176.300 -0.130 0.000 1.161 103 D CA 0.286 54.241 54.000 -0.075 0.000 0.876 103 D CB 2.097 42.869 40.800 -0.046 0.000 1.160 103 D HN 0.507 nan 8.370 nan 0.000 0.459 104 A N 3.183 125.921 122.820 -0.136 0.000 2.015 104 A HA -0.107 4.213 4.320 0.000 0.000 0.219 104 A C 2.123 179.577 177.584 -0.217 0.000 1.163 104 A CA 1.326 53.243 52.037 -0.200 0.000 0.646 104 A CB -0.555 18.312 19.000 -0.222 0.000 0.806 104 A HN 0.596 nan 8.150 nan 0.000 0.448 105 S N 0.013 115.628 115.700 -0.141 0.000 2.363 105 S HA -0.083 4.387 4.470 0.000 0.000 0.218 105 S C 1.171 175.735 174.600 -0.060 0.000 1.035 105 S CA 1.137 59.288 58.200 -0.081 0.000 1.043 105 S CB -0.153 63.028 63.200 -0.032 0.000 0.986 105 S HN 0.381 nan 8.310 nan 0.000 0.423 106 K N 2.629 122.977 120.400 -0.087 0.000 2.805 106 K HA 0.324 4.644 4.320 0.000 0.000 0.227 106 K C -1.146 175.233 176.600 -0.369 0.000 1.207 106 K CA -0.129 56.096 56.287 -0.104 0.000 1.153 106 K CB 0.357 32.865 32.500 0.014 0.000 1.688 106 K HN 0.091 nan 8.250 nan 0.000 0.467 107 V N 5.681 125.418 119.914 -0.296 0.000 2.266 107 V HA -0.048 4.072 4.120 0.000 0.000 0.240 107 V C 0.849 176.768 176.094 -0.292 0.000 1.225 107 V CA -0.309 61.767 62.300 -0.372 0.000 1.237 107 V CB -1.336 30.368 31.823 -0.198 0.000 1.343 107 V HN 0.480 nan 8.190 nan 0.000 0.496 108 H N 5.589 124.660 119.070 0.001 0.000 2.998 108 H HA 0.039 4.595 4.556 0.000 0.000 0.353 108 H C -1.380 173.950 175.328 0.002 0.000 1.099 108 H CA -1.582 54.468 56.048 0.004 0.000 1.393 108 H CB 0.106 29.870 29.762 0.002 0.000 1.343 108 H HN 0.315 nan 8.280 nan 0.000 0.609 109 P HA -0.078 nan 4.420 nan 0.000 0.225 109 P C 0.987 178.331 177.300 0.073 0.000 1.148 109 P CA 0.990 64.131 63.100 0.068 0.000 0.779 109 P CB -0.263 31.466 31.700 0.049 0.000 0.780 110 G N 1.447 110.312 108.800 0.109 0.000 2.852 110 G HA2 0.212 4.172 3.960 0.000 0.000 0.280 110 G HA3 0.212 4.172 3.960 0.000 0.000 0.280 110 G C 0.237 175.195 174.900 0.097 0.000 0.731 110 G CA -0.377 44.769 45.100 0.076 0.000 2.037 110 G HN 0.022 nan 8.290 nan 0.000 0.560 111 V N 3.605 123.558 119.914 0.065 0.000 2.628 111 V HA -0.168 3.952 4.120 0.000 0.000 0.282 111 V C 1.212 177.340 176.094 0.057 0.000 0.968 111 V CA 0.245 62.578 62.300 0.055 0.000 1.171 111 V CB -0.651 31.193 31.823 0.034 0.000 0.899 111 V HN 0.612 nan 8.190 nan 0.000 0.462 112 I N 3.927 124.542 120.570 0.076 0.000 3.407 112 I HA 0.154 4.324 4.170 0.000 0.000 0.308 112 I C 0.872 177.014 176.117 0.042 0.000 1.151 112 I CA 1.060 62.398 61.300 0.062 0.000 1.258 112 I CB -1.173 36.877 38.000 0.084 0.000 1.021 112 I HN 0.619 nan 8.210 nan 0.000 0.543 113 S N -1.236 114.486 115.700 0.037 0.000 2.655 113 S HA 0.735 5.205 4.470 0.000 0.000 0.263 113 S C -0.240 174.379 174.600 0.033 0.000 1.091 113 S CA -0.305 57.915 58.200 0.033 0.000 0.865 113 S CB 0.237 63.459 63.200 0.036 0.000 1.146 113 S HN 0.326 nan 8.310 nan 0.000 0.482 114 G N 0.181 109.002 108.800 0.035 0.000 3.175 114 G HA2 0.583 4.543 3.960 0.000 0.000 0.153 114 G HA3 0.583 4.543 3.960 0.000 0.000 0.153 114 G C 0.189 175.121 174.900 0.054 0.000 1.216 114 G CA 0.156 45.279 45.100 0.037 0.000 0.943 114 G HN 0.682 nan 8.290 nan 0.000 0.611 115 L N 0.708 121.967 121.223 0.059 0.000 2.334 115 L HA 0.298 4.638 4.340 0.000 0.000 0.195 115 L C 1.464 178.384 176.870 0.084 0.000 1.281 115 L CA 0.736 55.633 54.840 0.094 0.000 1.004 115 L CB -1.046 41.066 42.059 0.088 0.000 1.119 115 L HN 0.673 nan 8.230 nan 0.000 0.575 116 N N 0.606 119.337 118.700 0.052 0.000 2.814 116 N HA 0.099 4.839 4.740 0.000 0.000 0.304 116 N C -0.637 174.870 175.510 -0.007 0.000 1.211 116 N CA 0.429 53.481 53.050 0.004 0.000 1.158 116 N CB -0.460 38.028 38.487 0.002 0.000 1.458 116 N HN 0.475 nan 8.380 nan 0.000 0.519 117 S N 0.162 115.858 115.700 -0.008 0.000 2.727 117 S HA 0.477 4.947 4.470 0.000 0.000 0.278 117 S C -3.172 171.424 174.600 -0.008 0.000 1.186 117 S CA -1.307 56.890 58.200 -0.006 0.000 0.836 117 S CB 0.615 63.821 63.200 0.009 0.000 1.186 117 S HN 0.064 nan 8.310 nan 0.000 0.499 118 P HA 0.480 nan 4.420 nan 0.000 0.262 118 P C -1.101 176.208 177.300 0.015 0.000 1.182 118 P CA 0.337 63.437 63.100 0.001 0.000 0.761 118 P CB 0.403 32.105 31.700 0.002 0.000 0.795 119 A N 2.392 125.223 122.820 0.019 0.000 2.512 119 A HA 0.560 4.880 4.320 0.000 0.000 0.290 119 A C -0.600 177.010 177.584 0.044 0.000 1.041 119 A CA -0.489 51.571 52.037 0.039 0.000 0.911 119 A CB 0.193 19.234 19.000 0.069 0.000 1.407 119 A HN 0.720 nan 8.150 nan 0.000 0.398 120 c N 0.914 119.534 118.600 0.033 0.000 3.173 120 c HA 0.918 5.488 4.570 0.000 0.000 0.310 120 c C -0.639 173.460 174.090 0.016 0.000 1.306 120 c CA -0.871 55.478 56.329 0.033 0.000 1.426 120 c CB 0.893 43.415 42.510 0.020 0.000 1.800 120 c HN 0.895 nan 8.230 nan 0.000 0.470 121 M N 2.188 121.796 119.600 0.013 0.000 2.508 121 M HA 0.504 4.984 4.480 0.000 0.000 0.327 121 M C -0.612 175.681 176.300 -0.011 0.000 1.160 121 M CA -0.563 54.730 55.300 -0.012 0.000 0.980 121 M CB 1.785 34.365 32.600 -0.032 0.000 1.693 121 M HN 0.660 nan 8.290 nan 0.000 0.452 122 L N 1.525 122.735 121.223 -0.022 0.000 2.410 122 L HA 0.123 4.463 4.340 0.000 0.000 0.273 122 L C 1.151 178.011 176.870 -0.017 0.000 1.152 122 L CA -0.144 54.684 54.840 -0.020 0.000 0.855 122 L CB 0.898 42.943 42.059 -0.023 0.000 1.129 122 L HN 0.865 nan 8.230 nan 0.000 0.463 123 S N 2.192 117.884 115.700 -0.012 0.000 2.355 123 S HA -0.177 4.293 4.470 0.000 0.000 0.222 123 S C 2.081 176.676 174.600 -0.008 0.000 1.031 123 S CA 1.128 59.326 58.200 -0.004 0.000 0.993 123 S CB -0.168 63.023 63.200 -0.015 0.000 0.859 123 S HN 0.833 nan 8.310 nan 0.000 0.453 124 A N 2.841 125.650 122.820 -0.018 0.000 1.896 124 A HA -0.153 4.167 4.320 0.000 0.000 0.220 124 A C 0.486 178.057 177.584 -0.022 0.000 1.206 124 A CA 2.101 54.125 52.037 -0.022 0.000 0.647 124 A CB -1.834 17.153 19.000 -0.021 0.000 0.828 124 A HN 0.537 nan 8.150 nan 0.000 0.455 125 P HA -0.035 nan 4.420 nan 0.000 0.217 125 P C 1.757 179.031 177.300 -0.042 0.000 1.154 125 P CA 0.968 64.044 63.100 -0.040 0.000 0.841 125 P CB -0.180 31.486 31.700 -0.056 0.000 0.790 126 L N 0.912 122.114 121.223 -0.036 0.000 2.013 126 L HA -0.180 4.160 4.340 0.000 0.000 0.212 126 L C 2.582 179.488 176.870 0.060 0.000 1.073 126 L CA 2.195 57.022 54.840 -0.021 0.000 0.753 126 L CB -1.453 40.604 42.059 -0.002 0.000 0.890 126 L HN -0.123 nan 8.230 nan 0.000 0.432 127 E N -0.109 120.142 120.200 0.085 0.000 2.047 127 E HA -0.280 4.070 4.350 0.000 0.000 0.191 127 E C 2.295 178.998 176.600 0.172 0.000 0.987 127 E CA 1.686 58.185 56.400 0.164 0.000 0.799 127 E CB -0.290 29.445 29.700 0.058 0.000 0.752 127 E HN 0.454 nan 8.360 nan 0.000 0.449 128 K N -0.150 120.281 120.400 0.051 0.000 2.281 128 K HA -0.221 4.099 4.320 0.000 0.000 0.203 128 K C 2.157 178.797 176.600 0.066 0.000 1.046 128 K CA 1.459 57.750 56.287 0.007 0.000 0.938 128 K CB -0.017 32.461 32.500 -0.038 0.000 0.737 128 K HN 0.181 nan 8.250 nan 0.000 0.458 129 Q N 0.059 119.892 119.800 0.054 0.000 2.123 129 Q HA 0.003 4.343 4.340 0.000 0.000 0.196 129 Q C 2.023 178.068 176.000 0.075 0.000 0.958 129 Q CA 0.576 56.389 55.803 0.017 0.000 0.841 129 Q CB 0.160 28.820 28.738 -0.131 0.000 0.915 129 Q HN 0.292 nan 8.270 nan 0.000 0.455 130 L N -0.399 120.907 121.223 0.139 0.000 1.961 130 L HA -0.121 4.219 4.340 0.000 0.000 0.210 130 L C 0.713 177.604 176.870 0.035 0.000 1.072 130 L CA 0.900 55.816 54.840 0.125 0.000 0.749 130 L CB -0.250 41.952 42.059 0.239 0.000 0.889 130 L HN 0.185 nan 8.230 nan 0.000 0.432 131 F N -0.578 119.436 119.950 0.105 0.000 2.733 131 F HA 0.026 4.553 4.527 0.000 0.000 0.344 131 F C 1.301 177.155 175.800 0.091 0.000 1.179 131 F CA -0.412 57.658 58.000 0.116 0.000 1.316 131 F CB -0.912 38.151 39.000 0.106 0.000 1.577 131 F HN 0.026 nan 8.300 nan 0.000 0.591 132 Y N 0.262 120.566 120.300 0.006 0.000 2.263 132 Y HA -0.030 4.520 4.550 0.000 0.000 0.292 132 Y C 0.474 176.366 175.900 -0.014 0.000 1.130 132 Y CA 0.463 58.505 58.100 -0.097 0.000 1.179 132 Y CB -0.502 37.763 38.460 -0.324 0.000 0.998 132 Y HN 0.135 nan 8.280 nan 0.000 0.532 133 Y N 1.285 121.562 120.300 -0.039 0.000 2.397 133 Y HA 0.313 4.863 4.550 0.000 0.000 0.335 133 Y C 0.107 175.973 175.900 -0.057 0.000 1.213 133 Y CA -0.445 57.559 58.100 -0.159 0.000 1.391 133 Y CB 0.480 38.880 38.460 -0.101 0.000 1.293 133 Y HN -0.190 nan 8.280 nan 0.000 0.557 134 I N 1.045 121.633 120.570 0.030 0.000 2.693 134 I HA 0.736 4.906 4.170 0.000 0.000 0.303 134 I C 0.517 176.628 176.117 -0.010 0.000 1.025 134 I CA -0.342 60.906 61.300 -0.087 0.000 1.086 134 I CB 2.058 39.922 38.000 -0.226 0.000 1.268 134 I HN 0.815 nan 8.210 nan 0.000 0.440 135 G N 2.225 111.019 108.800 -0.011 0.000 2.791 135 G HA2 0.499 4.459 3.960 0.000 0.000 0.158 135 G HA3 0.499 4.459 3.960 0.000 0.000 0.158 135 G C -1.384 173.532 174.900 0.026 0.000 1.193 135 G CA -0.261 44.856 45.100 0.029 0.000 1.032 135 G HN 0.420 nan 8.290 nan 0.000 0.557 136 T N 1.740 116.320 114.554 0.043 0.000 3.089 136 T HA 0.271 4.621 4.350 0.000 0.000 0.340 136 T C 1.008 175.736 174.700 0.047 0.000 1.008 136 T CA -0.567 61.559 62.100 0.044 0.000 1.096 136 T CB 1.335 70.227 68.868 0.041 0.000 1.024 136 T HN 0.257 nan 8.240 nan 0.000 0.477 137 M N 1.666 121.293 119.600 0.044 0.000 2.202 137 M HA 0.102 4.582 4.480 0.000 0.000 0.262 137 M C 0.512 176.840 176.300 0.047 0.000 1.063 137 M CA 1.334 56.649 55.300 0.025 0.000 1.097 137 M CB -0.742 31.889 32.600 0.052 0.000 1.382 137 M HN 0.506 nan 8.290 nan 0.000 0.413 138 L N 1.410 122.678 121.223 0.074 0.000 2.301 138 L HA 0.333 4.673 4.340 0.000 0.000 0.278 138 L C -1.962 174.998 176.870 0.151 0.000 1.022 138 L CA -1.843 53.069 54.840 0.119 0.000 0.854 138 L CB 0.929 43.058 42.059 0.118 0.000 1.226 138 L HN -0.037 nan 8.230 nan 0.000 0.429 139 P HA 0.020 nan 4.420 nan 0.000 0.288 139 P C -0.363 176.976 177.300 0.066 0.000 1.291 139 P CA -0.250 62.904 63.100 0.089 0.000 0.766 139 P CB 1.035 32.759 31.700 0.040 0.000 1.242 140 N N -1.550 117.150 118.700 0.001 0.000 2.273 140 N HA 0.053 4.793 4.740 0.000 0.000 0.231 140 N C -0.251 175.210 175.510 -0.082 0.000 1.134 140 N CA -0.117 52.920 53.050 -0.022 0.000 0.856 140 N CB -0.547 37.930 38.487 -0.017 0.000 1.068 140 N HN 0.397 nan 8.380 nan 0.000 0.510 141 T N -2.365 112.112 114.554 -0.128 0.000 2.918 141 T HA 0.177 4.527 4.350 0.000 0.000 0.302 141 T C 1.524 176.075 174.700 -0.248 0.000 1.045 141 T CA -0.383 61.596 62.100 -0.202 0.000 1.114 141 T CB 1.176 69.858 68.868 -0.310 0.000 0.965 141 T HN 0.121 nan 8.240 nan 0.000 0.540 142 R N 2.185 122.527 120.500 -0.264 0.000 2.136 142 R HA -0.102 4.238 4.340 0.000 0.000 0.242 142 R C -0.403 175.534 176.300 -0.605 0.000 1.131 142 R CA 2.116 57.945 56.100 -0.451 0.000 0.937 142 R CB -1.857 28.285 30.300 -0.264 0.000 0.863 142 R HN 0.671 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.826 178.128 177.300 0.004 0.000 1.178 143 P CA 1.789 64.853 63.100 -0.060 0.000 0.915 143 P CB -0.393 31.325 31.700 0.029 0.000 0.788 144 H N -0.379 118.638 119.070 -0.089 0.000 2.321 144 H HA -0.028 4.528 4.556 0.000 0.000 0.300 144 H C 2.339 177.629 175.328 -0.064 0.000 1.087 144 H CA 0.939 56.974 56.048 -0.022 0.000 1.319 144 H CB -0.391 29.429 29.762 0.098 0.000 1.379 144 H HN 0.141 nan 8.280 nan 0.000 0.501 145 S N 0.361 116.061 115.700 -0.001 0.000 2.462 145 S HA -0.165 4.305 4.470 0.000 0.000 0.243 145 S C 1.263 175.883 174.600 0.032 0.000 1.003 145 S CA 1.004 59.182 58.200 -0.038 0.000 0.970 145 S CB -0.228 62.891 63.200 -0.136 0.000 0.762 145 S HN 0.398 nan 8.310 nan 0.000 0.510 146 Y N -0.144 120.143 120.300 -0.021 0.000 2.448 146 Y HA 0.191 4.741 4.550 0.000 0.000 0.289 146 Y C 2.140 177.989 175.900 -0.084 0.000 1.114 146 Y CA -0.537 57.557 58.100 -0.010 0.000 1.235 146 Y CB -0.517 37.970 38.460 0.045 0.000 1.045 146 Y HN 0.088 nan 8.280 nan 0.000 0.554 147 V N -1.853 117.917 119.914 -0.240 0.000 2.599 147 V HA 0.027 4.147 4.120 0.000 0.000 0.237 147 V C 0.343 176.061 176.094 -0.626 0.000 1.081 147 V CA 0.398 62.212 62.300 -0.810 0.000 1.107 147 V CB -0.318 30.656 31.823 -1.415 0.000 0.808 147 V HN -0.148 nan 8.190 nan 0.000 0.486 148 F N -1.268 118.564 119.950 -0.196 0.000 2.370 148 F HA 0.493 5.020 4.527 0.000 0.000 0.319 148 F C -0.206 175.535 175.800 -0.099 0.000 1.129 148 F CA -1.217 56.708 58.000 -0.126 0.000 1.109 148 F CB 0.093 39.048 39.000 -0.075 0.000 1.262 148 F HN -0.034 nan 8.300 nan 0.000 0.534 149 Y N 1.348 121.784 120.300 0.227 0.000 2.341 149 Y HA 0.177 4.727 4.550 0.000 0.000 0.340 149 Y C 0.253 176.225 175.900 0.121 0.000 0.997 149 Y CA -0.708 57.472 58.100 0.132 0.000 1.149 149 Y CB 0.470 38.987 38.460 0.096 0.000 1.171 149 Y HN 0.357 nan 8.280 nan 0.000 0.494 150 Q N 3.459 123.413 119.800 0.257 0.000 2.859 150 Q HA -0.111 4.229 4.340 0.000 0.000 0.364 150 Q C -0.820 175.275 176.000 0.158 0.000 1.067 150 Q CA 0.680 56.588 55.803 0.175 0.000 1.162 150 Q CB 0.327 29.147 28.738 0.136 0.000 1.023 150 Q HN 0.552 nan 8.270 nan 0.000 0.415 151 L N 3.284 124.585 121.223 0.129 0.000 2.354 151 L HA 0.576 4.916 4.340 0.000 0.000 0.269 151 L C -0.778 176.140 176.870 0.080 0.000 1.005 151 L CA -0.391 54.514 54.840 0.110 0.000 0.819 151 L CB 1.873 44.009 42.059 0.128 0.000 1.311 151 L HN 0.614 nan 8.230 nan 0.000 0.423 152 R N 4.495 125.032 120.500 0.061 0.000 2.518 152 R HA 0.693 5.033 4.340 0.000 0.000 0.296 152 R C -1.936 174.367 176.300 0.006 0.000 1.080 152 R CA -0.348 55.768 56.100 0.028 0.000 0.922 152 R CB 0.821 31.128 30.300 0.012 0.000 1.184 152 R HN 0.932 nan 8.270 nan 0.000 0.445 153 C N 0.370 119.668 119.300 -0.003 0.000 3.318 153 C HA 0.545 5.005 4.460 0.000 0.000 0.322 153 C C -0.188 174.787 174.990 -0.025 0.000 1.398 153 C CA -1.247 57.762 59.018 -0.016 0.000 1.339 153 C CB 1.384 29.163 27.740 0.066 0.000 1.668 153 C HN 0.763 nan 8.230 nan 0.000 0.462 154 H N 1.176 120.289 119.070 0.072 0.000 3.001 154 H HA 0.428 4.984 4.556 0.000 0.000 0.334 154 H C -0.072 175.401 175.328 0.243 0.000 1.034 154 H CA 1.077 57.203 56.048 0.131 0.000 1.420 154 H CB 0.574 30.420 29.762 0.141 0.000 1.405 154 H HN 0.622 nan 8.280 nan 0.000 0.593 155 L N 0.009 121.457 121.223 0.375 0.000 2.598 155 L HA 0.682 5.022 4.340 0.000 0.000 0.246 155 L C -0.526 176.413 176.870 0.116 0.000 1.124 155 L CA -1.056 54.000 54.840 0.359 0.000 1.019 155 L CB 0.738 42.889 42.059 0.152 0.000 1.583 155 L HN 0.618 nan 8.230 nan 0.000 0.386 156 S N -1.291 114.385 115.700 -0.039 0.000 2.556 156 S HA 0.778 5.248 4.470 0.000 0.000 0.280 156 S C -1.573 172.915 174.600 -0.186 0.000 1.141 156 S CA -0.614 57.439 58.200 -0.245 0.000 0.883 156 S CB 0.938 63.937 63.200 -0.335 0.000 1.103 156 S HN 1.535 nan 8.310 nan 0.000 0.453 157 Y N -0.730 119.481 120.300 -0.148 0.000 2.665 157 Y HA 0.900 5.450 4.550 0.000 0.000 0.336 157 Y C -1.254 174.495 175.900 -0.251 0.000 1.085 157 Y CA -1.971 56.013 58.100 -0.193 0.000 1.096 157 Y CB 0.697 39.043 38.460 -0.189 0.000 1.301 157 Y HN 0.574 nan 8.280 nan 0.000 0.493 158 V N 1.553 121.490 119.914 0.038 0.000 2.357 158 V HA 0.768 4.888 4.120 0.000 0.000 0.281 158 V C 0.148 176.169 176.094 -0.121 0.000 1.015 158 V CA -0.860 61.385 62.300 -0.092 0.000 0.827 158 V CB 0.209 31.921 31.823 -0.185 0.000 1.018 158 V HN 1.110 nan 8.190 nan 0.000 0.432 159 A N 4.884 127.667 122.820 -0.061 0.000 2.371 159 A HA 0.831 5.151 4.320 0.000 0.000 0.257 159 A C -0.756 176.796 177.584 -0.053 0.000 1.089 159 A CA -0.130 51.821 52.037 -0.142 0.000 0.794 159 A CB 0.942 19.857 19.000 -0.141 0.000 1.029 159 A HN 0.839 nan 8.150 nan 0.000 0.488 160 L N 1.147 122.339 121.223 -0.051 0.000 2.472 160 L HA 0.710 5.050 4.340 0.000 0.000 0.260 160 L C -0.479 176.397 176.870 0.010 0.000 0.963 160 L CA 0.218 55.082 54.840 0.039 0.000 0.829 160 L CB 2.282 44.429 42.059 0.146 0.000 1.348 160 L HN 0.683 nan 8.230 nan 0.000 0.408 161 S N 4.776 120.498 115.700 0.038 0.000 2.706 161 S HA 0.821 5.291 4.470 0.000 0.000 0.270 161 S C -1.258 173.380 174.600 0.064 0.000 1.163 161 S CA -0.562 57.658 58.200 0.034 0.000 1.042 161 S CB 0.371 63.575 63.200 0.006 0.000 1.079 161 S HN 0.429 nan 8.310 nan 0.000 0.474 162 I N 3.134 123.770 120.570 0.110 0.000 3.067 162 I HA 0.548 4.718 4.170 0.000 0.000 0.312 162 I C 0.725 176.884 176.117 0.069 0.000 1.073 162 I CA -0.886 60.460 61.300 0.076 0.000 1.016 162 I CB 1.126 39.145 38.000 0.031 0.000 1.227 162 I HN 0.770 nan 8.210 nan 0.000 0.456 163 N N 2.039 120.748 118.700 0.015 0.000 2.678 163 N HA -0.186 4.554 4.740 0.000 0.000 0.249 163 N C 0.599 176.116 175.510 0.010 0.000 1.119 163 N CA 1.397 54.446 53.050 -0.003 0.000 0.718 163 N CB -1.162 37.312 38.487 -0.022 0.000 1.060 163 N HN 1.138 nan 8.380 nan 0.000 0.552 164 G N 0.386 109.195 108.800 0.016 0.000 2.392 164 G HA2 -0.241 3.719 3.960 0.000 0.000 0.290 164 G HA3 -0.241 3.719 3.960 0.000 0.000 0.290 164 G C 0.138 175.043 174.900 0.008 0.000 1.032 164 G CA 0.202 45.308 45.100 0.009 0.000 1.269 164 G HN 0.534 nan 8.290 nan 0.000 0.511 165 D N -1.427 118.980 120.400 0.012 0.000 3.070 165 D HA -0.184 4.456 4.640 0.000 0.000 0.220 165 D C 1.620 177.923 176.300 0.005 0.000 1.176 165 D CA 1.802 55.800 54.000 -0.003 0.000 0.924 165 D CB -0.358 40.431 40.800 -0.018 0.000 1.124 165 D HN 0.748 nan 8.370 nan 0.000 0.411 166 K N -0.850 119.570 120.400 0.033 0.000 2.400 166 K HA 0.087 4.407 4.320 0.000 0.000 0.194 166 K C 0.552 177.223 176.600 0.118 0.000 1.033 166 K CA 0.306 56.619 56.287 0.043 0.000 1.021 166 K CB 0.576 33.091 32.500 0.026 0.000 0.808 166 K HN 0.169 nan 8.250 nan 0.000 0.505 167 F N 1.582 121.505 119.950 -0.045 0.000 2.615 167 F HA 0.174 4.701 4.527 0.000 0.000 0.312 167 F C -1.949 173.849 175.800 -0.003 0.000 1.119 167 F CA -0.684 57.300 58.000 -0.027 0.000 0.979 167 F CB 1.556 40.512 39.000 -0.074 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.920 124.305 119.800 -0.691 0.000 2.391 168 Q HA 0.432 4.772 4.340 0.000 0.000 0.279 168 Q C -2.339 173.437 176.000 -0.374 0.000 1.028 168 Q CA -1.057 54.518 55.803 -0.380 0.000 0.836 168 Q CB 3.067 31.686 28.738 -0.197 0.000 1.414 168 Q HN 0.707 nan 8.270 nan 0.000 0.397 169 Y N 0.448 120.594 120.300 -0.256 0.000 2.499 169 Y HA 0.674 5.224 4.550 0.000 0.000 0.347 169 Y C -1.498 174.323 175.900 -0.131 0.000 0.987 169 Y CA -0.575 57.439 58.100 -0.143 0.000 1.044 169 Y CB 2.781 41.271 38.460 0.051 0.000 1.245 169 Y HN 0.756 nan 8.280 nan 0.000 0.461 170 T N 3.922 117.943 114.554 -0.888 0.000 2.890 170 T HA 0.402 4.752 4.350 0.000 0.000 0.295 170 T C -0.144 174.008 174.700 -0.914 0.000 0.993 170 T CA -0.431 61.213 62.100 -0.759 0.000 0.979 170 T CB 1.078 69.687 68.868 -0.432 0.000 0.967 170 T HN 0.946 nan 8.240 nan 0.000 0.441 171 G N 2.228 110.609 108.800 -0.699 0.000 3.343 171 G HA2 0.506 4.466 3.960 0.000 0.000 0.279 171 G HA3 0.506 4.466 3.960 0.000 0.000 0.279 171 G C 0.395 175.216 174.900 -0.130 0.000 0.919 171 G CA -0.577 44.306 45.100 -0.362 0.000 1.812 171 G HN 0.975 nan 8.290 nan 0.000 0.584 172 A N 3.012 125.761 122.820 -0.118 0.000 2.451 172 A HA 0.674 4.994 4.320 0.000 0.000 0.266 172 A C 0.350 177.878 177.584 -0.094 0.000 1.119 172 A CA -0.126 51.883 52.037 -0.046 0.000 0.786 172 A CB -0.021 18.947 19.000 -0.053 0.000 1.061 172 A HN 0.960 nan 8.150 nan 0.000 0.503 173 M N 1.865 121.427 119.600 -0.065 0.000 2.470 173 M HA 0.695 5.175 4.480 0.000 0.000 0.285 173 M C -0.684 175.665 176.300 0.081 0.000 1.213 173 M CA -0.432 54.813 55.300 -0.092 0.000 0.901 173 M CB 1.950 34.592 32.600 0.070 0.000 1.718 173 M HN 0.488 nan 8.290 nan 0.000 0.469 174 T N -0.448 114.094 114.554 -0.020 0.000 2.807 174 T HA 0.481 4.831 4.350 0.000 0.000 0.277 174 T C 0.969 175.791 174.700 0.202 0.000 1.006 174 T CA 0.103 62.293 62.100 0.150 0.000 1.006 174 T CB 1.463 70.221 68.868 -0.183 0.000 1.274 174 T HN 0.930 nan 8.240 nan 0.000 0.569 175 S N 0.192 115.695 115.700 -0.329 0.000 2.547 175 S HA 0.080 4.550 4.470 0.000 0.000 0.235 175 S C 1.266 175.965 174.600 0.166 0.000 0.980 175 S CA 0.672 58.660 58.200 -0.354 0.000 0.941 175 S CB -0.274 62.541 63.200 -0.642 0.000 0.763 175 S HN 0.680 nan 8.310 nan 0.000 0.532 176 K N -0.265 120.309 120.400 0.290 0.000 2.462 176 K HA 0.323 4.643 4.320 0.000 0.000 0.201 176 K C -0.204 176.755 176.600 0.597 0.000 1.268 176 K CA 0.186 56.756 56.287 0.473 0.000 0.933 176 K CB 0.803 33.509 32.500 0.344 0.000 1.162 176 K HN 0.587 nan 8.250 nan 0.000 0.527 177 F N -0.428 119.635 119.950 0.189 0.000 2.654 177 F HA 0.548 5.075 4.527 0.000 0.000 0.308 177 F C -1.605 173.868 175.800 -0.546 0.000 1.108 177 F CA -1.684 56.178 58.000 -0.229 0.000 0.957 177 F CB 0.925 39.835 39.000 -0.150 0.000 1.309 177 F HN -0.297 nan 8.300 nan 0.000 0.446 178 L N 4.149 124.897 121.223 -0.793 0.000 2.331 178 L HA 0.750 5.090 4.340 0.000 0.000 0.275 178 L C -1.122 175.745 176.870 -0.005 0.000 1.022 178 L CA -0.703 53.818 54.840 -0.532 0.000 0.812 178 L CB 1.868 43.568 42.059 -0.598 0.000 1.257 178 L HN 0.922 nan 8.230 nan 0.000 0.435 179 M N 4.603 124.214 119.600 0.018 0.000 2.167 179 M HA 0.381 4.862 4.480 0.000 0.000 0.218 179 M C -0.681 175.659 176.300 0.067 0.000 0.968 179 M CA -0.240 55.126 55.300 0.109 0.000 1.004 179 M CB 0.626 33.288 32.600 0.103 0.000 2.485 179 M HN 0.835 nan 8.290 nan 0.000 0.404 180 G N 2.159 111.063 108.800 0.174 0.000 2.444 180 G HA2 0.579 4.539 3.960 0.000 0.000 0.268 180 G HA3 0.579 4.539 3.960 0.000 0.000 0.268 180 G C -0.259 174.625 174.900 -0.026 0.000 1.203 180 G CA -0.088 45.079 45.100 0.112 0.000 0.835 180 G HN 0.628 nan 8.290 nan 0.000 0.543 181 T N -1.169 113.321 114.554 -0.107 0.000 2.861 181 T HA 0.584 4.934 4.350 0.000 0.000 0.287 181 T C -1.118 173.508 174.700 -0.123 0.000 1.003 181 T CA -0.765 61.264 62.100 -0.118 0.000 0.977 181 T CB 1.413 70.284 68.868 0.006 0.000 0.996 181 T HN 0.323 nan 8.240 nan 0.000 0.448 182 Y N 1.273 121.559 120.300 -0.023 0.000 2.352 182 Y HA 0.701 5.251 4.550 0.000 0.000 0.326 182 Y C 0.555 176.441 175.900 -0.023 0.000 1.166 182 Y CA -1.277 56.763 58.100 -0.101 0.000 1.182 182 Y CB 1.745 40.026 38.460 -0.298 0.000 1.216 182 Y HN 0.751 nan 8.280 nan 0.000 0.474 183 K N 3.562 123.972 120.400 0.015 0.000 2.652 183 K HA 0.409 4.729 4.320 0.000 0.000 0.249 183 K C -1.219 175.322 176.600 -0.098 0.000 0.986 183 K CA -0.661 55.621 56.287 -0.008 0.000 0.867 183 K CB 1.337 33.767 32.500 -0.118 0.000 1.201 183 K HN 0.774 nan 8.250 nan 0.000 0.450 184 R N 2.805 123.363 120.500 0.097 0.000 2.873 184 R HA 0.677 5.017 4.340 0.000 0.000 0.264 184 R C -1.439 174.895 176.300 0.058 0.000 1.026 184 R CA -0.700 55.484 56.100 0.139 0.000 1.002 184 R CB 1.938 32.333 30.300 0.157 0.000 1.174 184 R HN 0.334 nan 8.270 nan 0.000 0.488 185 V N 1.901 121.846 119.914 0.052 0.000 2.612 185 V HA 0.235 4.355 4.120 0.000 0.000 0.301 185 V C -0.046 176.058 176.094 0.016 0.000 1.059 185 V CA -0.837 61.469 62.300 0.011 0.000 0.886 185 V CB 1.873 33.690 31.823 -0.010 0.000 1.007 185 V HN 0.912 nan 8.190 nan 0.000 0.426 186 T N 2.439 117.008 114.554 0.024 0.000 2.698 186 T HA 0.115 4.465 4.350 0.000 0.000 0.295 186 T C 1.315 176.016 174.700 0.000 0.000 1.007 186 T CA -0.500 61.615 62.100 0.025 0.000 0.980 186 T CB 0.642 69.541 68.868 0.053 0.000 1.036 186 T HN 0.731 nan 8.240 nan 0.000 0.526 187 E N 0.291 120.490 120.200 -0.002 0.000 2.171 187 E HA -0.091 4.259 4.350 0.000 0.000 0.197 187 E C 0.856 177.450 176.600 -0.010 0.000 0.997 187 E CA 1.227 57.622 56.400 -0.008 0.000 0.810 187 E CB -0.111 29.584 29.700 -0.008 0.000 0.738 187 E HN 0.486 nan 8.360 nan 0.000 0.467 188 K N -0.436 119.959 120.400 -0.008 0.000 2.179 188 K HA 0.319 4.639 4.320 0.000 0.000 0.238 188 K C 1.166 177.752 176.600 -0.024 0.000 1.033 188 K CA 0.238 56.518 56.287 -0.013 0.000 0.926 188 K CB 0.778 33.272 32.500 -0.009 0.000 1.151 188 K HN 0.018 nan 8.250 nan 0.000 0.492 189 G N 1.024 109.807 108.800 -0.028 0.000 3.028 189 G HA2 -0.090 3.870 3.960 0.000 0.000 0.205 189 G HA3 -0.090 3.870 3.960 0.000 0.000 0.205 189 G C -0.349 174.516 174.900 -0.059 0.000 1.182 189 G CA 0.086 45.163 45.100 -0.037 0.000 0.860 189 G HN 0.533 nan 8.290 nan 0.000 0.507 190 D N 0.623 120.980 120.400 -0.071 0.000 2.450 190 D HA 0.156 4.796 4.640 0.000 0.000 0.247 190 D C 0.138 176.320 176.300 -0.196 0.000 1.162 190 D CA 0.525 54.437 54.000 -0.146 0.000 0.879 190 D CB 1.000 41.718 40.800 -0.137 0.000 1.163 190 D HN 0.366 nan 8.370 nan 0.000 0.472 191 E N 2.557 122.615 120.200 -0.237 0.000 2.186 191 E HA 0.134 4.484 4.350 0.000 0.000 0.255 191 E C -0.872 175.587 176.600 -0.235 0.000 0.881 191 E CA -0.729 55.560 56.400 -0.184 0.000 0.752 191 E CB 0.473 30.108 29.700 -0.109 0.000 1.176 191 E HN 0.400 nan 8.360 nan 0.000 0.421 192 H N 2.660 121.712 119.070 -0.030 0.000 2.467 192 H HA 0.377 4.933 4.556 0.000 0.000 0.326 192 H C -0.299 174.960 175.328 -0.114 0.000 1.094 192 H CA -0.538 55.433 56.048 -0.127 0.000 1.253 192 H CB 1.505 31.243 29.762 -0.040 0.000 1.439 192 H HN 0.334 nan 8.280 nan 0.000 0.479 193 V N 2.102 121.834 119.914 -0.305 0.000 2.841 193 V HA 0.642 4.762 4.120 0.000 0.000 0.310 193 V C -0.987 175.138 176.094 0.051 0.000 1.090 193 V CA -0.996 61.302 62.300 -0.003 0.000 0.930 193 V CB 2.174 33.885 31.823 -0.186 0.000 1.014 193 V HN 0.457 nan 8.190 nan 0.000 0.425 194 L N 3.500 124.707 121.223 -0.028 0.000 2.526 194 L HA 0.952 5.292 4.340 0.000 0.000 0.263 194 L C -0.405 176.404 176.870 -0.103 0.000 0.943 194 L CA 0.100 54.868 54.840 -0.120 0.000 0.859 194 L CB 2.163 43.938 42.059 -0.473 0.000 1.313 194 L HN 1.169 nan 8.230 nan 0.000 0.406 195 S N 4.283 119.983 115.700 0.000 0.000 2.599 195 S HA 0.890 5.360 4.470 0.000 0.000 0.294 195 S C -0.891 173.673 174.600 -0.060 0.000 1.094 195 S CA -0.913 57.258 58.200 -0.047 0.000 0.931 195 S CB 1.778 65.030 63.200 0.087 0.000 1.093 195 S HN 0.707 nan 8.310 nan 0.000 0.488 196 L N 1.524 122.653 121.223 -0.156 0.000 2.346 196 L HA 0.692 5.032 4.340 0.000 0.000 0.276 196 L C -1.262 175.614 176.870 0.010 0.000 1.006 196 L CA -1.082 53.652 54.840 -0.177 0.000 0.817 196 L CB 2.083 43.748 42.059 -0.656 0.000 1.272 196 L HN 0.543 nan 8.230 nan 0.000 0.421 197 V N 2.551 122.542 119.914 0.128 0.000 2.407 197 V HA 0.430 4.550 4.120 0.000 0.000 0.291 197 V C -0.742 175.554 176.094 0.338 0.000 1.018 197 V CA -0.557 61.874 62.300 0.218 0.000 0.842 197 V CB 1.627 33.534 31.823 0.139 0.000 0.996 197 V HN 0.465 nan 8.190 nan 0.000 0.426 198 F N 3.203 123.296 119.950 0.240 0.000 2.522 198 F HA 0.982 5.509 4.527 0.000 0.000 0.324 198 F C 0.381 176.286 175.800 0.174 0.000 1.077 198 F CA 0.332 58.495 58.000 0.273 0.000 0.944 198 F CB 2.091 41.310 39.000 0.366 0.000 1.175 198 F HN 0.861 nan 8.300 nan 0.000 0.468 199 G N 3.579 111.948 108.800 -0.720 0.000 2.361 199 G HA2 0.122 4.082 3.960 0.000 0.000 0.305 199 G HA3 0.122 4.082 3.960 0.000 0.000 0.305 199 G C -1.886 172.919 174.900 -0.157 0.000 1.367 199 G CA -1.327 43.565 45.100 -0.346 0.000 0.951 199 G HN 0.654 nan 8.290 nan 0.000 0.615 200 K N 0.880 121.180 120.400 -0.167 0.000 2.447 200 K HA 0.232 4.552 4.320 0.000 0.000 0.281 200 K C 1.615 178.072 176.600 -0.237 0.000 1.031 200 K CA 0.535 56.587 56.287 -0.392 0.000 1.019 200 K CB 0.639 32.943 32.500 -0.327 0.000 0.918 200 K HN 0.520 nan 8.250 nan 0.000 0.476 201 T N 2.785 117.203 114.554 -0.225 0.000 2.751 201 T HA -0.259 4.091 4.350 0.000 0.000 0.268 201 T C 1.618 176.196 174.700 -0.203 0.000 1.045 201 T CA 2.051 64.028 62.100 -0.205 0.000 1.142 201 T CB -0.172 68.613 68.868 -0.138 0.000 0.851 201 T HN 0.650 nan 8.240 nan 0.000 0.474 202 K N 1.125 121.430 120.400 -0.157 0.000 2.365 202 K HA -0.007 4.313 4.320 0.000 0.000 0.199 202 K C 1.245 177.787 176.600 -0.097 0.000 1.045 202 K CA 1.314 57.536 56.287 -0.108 0.000 0.962 202 K CB 0.159 32.609 32.500 -0.083 0.000 0.759 202 K HN 0.165 nan 8.250 nan 0.000 0.469 203 D N 0.439 120.772 120.400 -0.111 0.000 2.349 203 D HA 0.069 4.709 4.640 0.000 0.000 0.214 203 D C -0.198 175.965 176.300 -0.228 0.000 1.063 203 D CA -0.100 53.854 54.000 -0.077 0.000 0.847 203 D CB 0.159 40.990 40.800 0.051 0.000 0.933 203 D HN 0.079 nan 8.370 nan 0.000 0.513 204 L N 2.107 123.125 121.223 -0.342 0.000 2.514 204 L HA 0.087 4.427 4.340 0.000 0.000 0.280 204 L C -1.668 174.997 176.870 -0.343 0.000 1.223 204 L CA -0.666 53.856 54.840 -0.531 0.000 0.864 204 L CB -0.565 40.998 42.059 -0.826 0.000 1.118 204 L HN -0.180 nan 8.230 nan 0.000 0.494 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.095 176.296 177.300 0.152 0.000 1.239 205 P CA -0.079 62.877 63.100 -0.239 0.000 0.807 205 P CB 0.349 31.746 31.700 -0.505 0.000 0.951 206 D N 0.550 121.063 120.400 0.188 0.000 2.277 206 D HA 0.190 4.830 4.640 0.000 0.000 0.249 206 D C 0.110 176.624 176.300 0.356 0.000 1.134 206 D CA -0.073 54.087 54.000 0.267 0.000 0.863 206 D CB 0.539 41.471 40.800 0.220 0.000 1.143 206 D HN 0.185 nan 8.370 nan 0.000 0.458 207 L N 2.204 123.542 121.223 0.192 0.000 2.371 207 L HA 0.288 4.628 4.340 0.000 0.000 0.272 207 L C 1.847 178.780 176.870 0.104 0.000 1.124 207 L CA -0.435 54.419 54.840 0.024 0.000 0.816 207 L CB 1.294 43.249 42.059 -0.173 0.000 1.129 207 L HN 0.313 nan 8.230 nan 0.000 0.448 208 R N 1.972 122.402 120.500 -0.116 0.000 1.841 208 R HA 0.146 4.486 4.340 0.000 0.000 0.157 208 R C 1.066 177.316 176.300 -0.085 0.000 1.339 208 R CA 0.587 56.458 56.100 -0.382 0.000 1.482 208 R CB -0.525 29.389 30.300 -0.643 0.000 0.808 208 R HN 0.798 nan 8.270 nan 0.000 0.551 209 G N 0.506 109.280 108.800 -0.043 0.000 2.443 209 G HA2 0.007 3.967 3.960 0.000 0.000 0.286 209 G HA3 0.007 3.967 3.960 0.000 0.000 0.286 209 G C -2.041 172.669 174.900 -0.316 0.000 1.393 209 G CA -0.751 44.244 45.100 -0.175 0.000 1.080 209 G HN 0.360 nan 8.290 nan 0.000 0.566 210 P HA 0.203 nan 4.420 nan 0.000 0.245 210 P C -1.094 175.636 177.300 -0.949 0.000 1.670 210 P CA 0.435 63.137 63.100 -0.663 0.000 1.146 210 P CB -0.467 30.810 31.700 -0.705 0.000 1.954 211 F N 0.533 120.297 119.950 -0.311 0.000 2.540 211 F HA 0.457 4.984 4.527 0.000 0.000 0.317 211 F C 0.414 176.065 175.800 -0.249 0.000 1.104 211 F CA -0.677 57.151 58.000 -0.287 0.000 0.913 211 F CB 1.776 40.602 39.000 -0.291 0.000 1.170 211 F HN -0.106 nan 8.300 nan 0.000 0.450 212 S N 1.844 117.551 115.700 0.012 0.000 2.707 212 S HA 0.339 4.809 4.470 0.000 0.000 0.303 212 S C 0.276 174.885 174.600 0.016 0.000 1.132 212 S CA -0.719 57.472 58.200 -0.014 0.000 1.046 212 S CB 0.505 63.699 63.200 -0.011 0.000 1.004 212 S HN 0.646 nan 8.310 nan 0.000 0.483 213 Y N 2.755 123.077 120.300 0.036 0.000 2.173 213 Y HA -0.172 4.378 4.550 0.000 0.000 0.282 213 Y C -0.222 175.683 175.900 0.007 0.000 1.192 213 Y CA 2.344 60.457 58.100 0.021 0.000 1.176 213 Y CB -1.266 37.206 38.460 0.019 0.000 0.969 213 Y HN 0.566 nan 8.280 nan 0.000 0.519 214 P HA -0.192 nan 4.420 nan 0.000 0.215 214 P C 1.252 178.582 177.300 0.051 0.000 1.157 214 P CA 2.361 65.512 63.100 0.085 0.000 0.874 214 P CB -0.269 31.466 31.700 0.058 0.000 0.790 215 S N -1.653 114.075 115.700 0.046 0.000 2.786 215 S HA 0.124 4.594 4.470 0.000 0.000 0.223 215 S C 1.479 176.069 174.600 -0.017 0.000 0.956 215 S CA 0.191 58.400 58.200 0.015 0.000 0.961 215 S CB -1.038 62.195 63.200 0.055 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.418 120.816 121.223 0.019 0.000 3.284 216 L HA 0.215 4.555 4.340 0.000 0.000 0.294 216 L C -0.042 176.868 176.870 0.066 0.000 1.183 216 L CA 0.012 54.861 54.840 0.015 0.000 1.056 216 L CB 0.461 42.532 42.059 0.020 0.000 1.513 216 L HN 0.140 nan 8.230 nan 0.000 0.601 217 T N -0.802 113.797 114.554 0.074 0.000 2.869 217 T HA 0.111 4.461 4.350 0.000 0.000 0.295 217 T C 0.957 175.650 174.700 -0.012 0.000 0.987 217 T CA 0.229 62.353 62.100 0.041 0.000 1.109 217 T CB 2.355 71.238 68.868 0.024 0.000 0.932 217 T HN -0.061 nan 8.240 nan 0.000 0.518 218 S N 1.268 116.945 115.700 -0.040 0.000 2.468 218 S HA 0.494 4.964 4.470 0.000 0.000 0.226 218 S C 0.563 175.081 174.600 -0.137 0.000 1.051 218 S CA 0.074 58.243 58.200 -0.052 0.000 0.943 218 S CB 0.189 63.383 63.200 -0.010 0.000 0.810 218 S HN 0.894 nan 8.310 nan 0.000 0.509 219 A N 0.859 123.492 122.820 -0.313 0.000 2.422 219 A HA 0.766 5.086 4.320 0.000 0.000 0.302 219 A C -0.949 176.254 177.584 -0.636 0.000 1.041 219 A CA -0.475 51.237 52.037 -0.541 0.000 0.708 219 A CB 1.520 19.962 19.000 -0.929 0.000 1.257 219 A HN 0.355 nan 8.150 nan 0.000 0.414 220 Q N 1.398 121.040 119.800 -0.263 0.000 2.331 220 Q HA 0.660 5.000 4.340 0.000 0.000 0.272 220 Q C -0.765 175.361 176.000 0.210 0.000 1.062 220 Q CA -0.400 55.395 55.803 -0.012 0.000 0.806 220 Q CB 2.057 30.795 28.738 0.001 0.000 1.312 220 Q HN 0.792 nan 8.270 nan 0.000 0.431 221 S N 0.742 116.665 115.700 0.371 0.000 2.667 221 S HA 0.465 4.935 4.470 0.000 0.000 0.292 221 S C 0.902 175.615 174.600 0.187 0.000 1.108 221 S CA -0.110 58.290 58.200 0.333 0.000 0.992 221 S CB 0.732 64.193 63.200 0.435 0.000 1.269 221 S HN 0.842 nan 8.310 nan 0.000 0.528 222 G N 0.151 109.039 108.800 0.147 0.000 2.534 222 G HA2 -0.018 3.942 3.960 0.000 0.000 0.217 222 G HA3 -0.018 3.942 3.960 0.000 0.000 0.217 222 G C -0.105 174.811 174.900 0.026 0.000 1.128 222 G CA 0.956 46.101 45.100 0.074 0.000 0.784 222 G HN 0.747 nan 8.290 nan 0.000 0.542 223 D N -2.946 117.462 120.400 0.013 0.000 2.619 223 D HA 0.147 4.787 4.640 0.000 0.000 0.300 223 D C -0.678 175.454 176.300 -0.280 0.000 1.502 223 D CA -0.620 53.295 54.000 -0.142 0.000 0.865 223 D CB -0.326 40.340 40.800 -0.224 0.000 1.343 223 D HN 0.221 nan 8.370 nan 0.000 0.447 224 Y N 0.621 120.975 120.300 0.089 0.000 2.462 224 Y HA 0.731 5.281 4.550 0.000 0.000 0.346 224 Y C -0.024 176.044 175.900 0.281 0.000 0.976 224 Y CA -0.822 57.355 58.100 0.127 0.000 1.044 224 Y CB 2.549 41.102 38.460 0.154 0.000 1.230 224 Y HN -0.204 nan 8.280 nan 0.000 0.455 225 S N 2.273 118.189 115.700 0.360 0.000 2.595 225 S HA 0.673 5.143 4.470 0.000 0.000 0.281 225 S C -2.044 172.701 174.600 0.242 0.000 1.117 225 S CA -0.682 57.612 58.200 0.157 0.000 0.873 225 S CB 2.161 65.339 63.200 -0.036 0.000 1.108 225 S HN 0.443 nan 8.310 nan 0.000 0.477 226 L N 2.648 123.885 121.223 0.022 0.000 2.427 226 L HA 0.601 4.941 4.340 0.000 0.000 0.264 226 L C -1.348 175.563 176.870 0.069 0.000 0.989 226 L CA -0.331 54.601 54.840 0.154 0.000 0.865 226 L CB 1.026 43.117 42.059 0.054 0.000 1.209 226 L HN 0.482 nan 8.230 nan 0.000 0.430 227 V N 5.504 125.492 119.914 0.123 0.000 2.617 227 V HA 0.470 4.590 4.120 0.000 0.000 0.298 227 V C 0.260 176.426 176.094 0.121 0.000 1.048 227 V CA -0.433 61.950 62.300 0.137 0.000 0.964 227 V CB 1.748 33.715 31.823 0.240 0.000 1.004 227 V HN 0.535 nan 8.190 nan 0.000 0.466 228 I N 4.004 124.644 120.570 0.116 0.000 2.428 228 I HA 0.328 4.498 4.170 0.000 0.000 0.279 228 I C -0.664 175.518 176.117 0.109 0.000 1.040 228 I CA -0.503 60.867 61.300 0.116 0.000 1.171 228 I CB 1.469 39.572 38.000 0.171 0.000 1.312 228 I HN 0.276 nan 8.210 nan 0.000 0.470 229 V N 5.069 125.037 119.914 0.090 0.000 2.348 229 V HA 0.605 4.725 4.120 0.000 0.000 0.270 229 V C 0.174 176.324 176.094 0.093 0.000 1.037 229 V CA -0.025 62.301 62.300 0.044 0.000 0.872 229 V CB 1.042 32.898 31.823 0.055 0.000 1.002 229 V HN 0.839 nan 8.190 nan 0.000 0.464 230 T N 2.723 117.325 114.554 0.080 0.000 2.722 230 T HA 0.428 4.778 4.350 0.000 0.000 0.314 230 T C -0.438 174.332 174.700 0.116 0.000 1.675 230 T CA 0.123 62.311 62.100 0.146 0.000 1.003 230 T CB 1.889 70.849 68.868 0.153 0.000 1.602 230 T HN 0.879 nan 8.240 nan 0.000 0.496 231 T N 0.617 115.307 114.554 0.227 0.000 2.934 231 T HA 0.561 4.911 4.350 0.000 0.000 0.283 231 T C 1.060 175.828 174.700 0.114 0.000 1.005 231 T CA -0.490 61.680 62.100 0.117 0.000 1.041 231 T CB 0.625 69.571 68.868 0.130 0.000 1.042 231 T HN 0.401 nan 8.240 nan 0.000 0.505 232 F N 1.172 121.225 119.950 0.171 0.000 2.126 232 F HA -0.052 4.475 4.527 0.000 0.000 0.299 232 F C 2.685 178.565 175.800 0.133 0.000 1.096 232 F CA 1.118 59.226 58.000 0.180 0.000 1.255 232 F CB -1.071 37.999 39.000 0.117 0.000 0.997 232 F HN 0.431 nan 8.300 nan 0.000 0.479 233 V N -0.424 119.623 119.914 0.223 0.000 2.324 233 V HA -0.336 3.784 4.120 0.000 0.000 0.250 233 V C 2.419 178.566 176.094 0.088 0.000 1.060 233 V CA 2.189 64.537 62.300 0.080 0.000 1.042 233 V CB -0.882 30.899 31.823 -0.070 0.000 0.650 233 V HN 0.371 nan 8.190 nan 0.000 0.450 234 H N -1.491 117.737 119.070 0.263 0.000 2.333 234 H HA -0.097 4.459 4.556 0.000 0.000 0.302 234 H C 2.193 177.665 175.328 0.240 0.000 1.075 234 H CA 1.805 58.018 56.048 0.275 0.000 1.348 234 H CB -0.688 29.305 29.762 0.386 0.000 1.393 234 H HN 0.503 nan 8.280 nan 0.000 0.509 235 Y N 1.794 122.229 120.300 0.225 0.000 2.228 235 Y HA -0.288 4.262 4.550 0.000 0.000 0.285 235 Y C 2.523 178.479 175.900 0.094 0.000 1.178 235 Y CA 1.233 59.373 58.100 0.067 0.000 1.202 235 Y CB -0.361 37.962 38.460 -0.228 0.000 0.974 235 Y HN 0.203 nan 8.280 nan 0.000 0.527 236 A N 0.170 123.046 122.820 0.093 0.000 1.841 236 A HA -0.243 4.077 4.320 0.000 0.000 0.214 236 A C 2.146 179.664 177.584 -0.109 0.000 1.195 236 A CA 1.769 53.798 52.037 -0.012 0.000 0.611 236 A CB -1.162 17.860 19.000 0.037 0.000 0.835 236 A HN 0.580 nan 8.150 nan 0.000 0.443 237 N N -1.597 116.988 118.700 -0.191 0.000 2.272 237 N HA -0.139 4.601 4.740 0.000 0.000 0.185 237 N C 1.176 176.461 175.510 -0.375 0.000 1.014 237 N CA 1.583 54.434 53.050 -0.332 0.000 0.870 237 N CB -0.318 37.689 38.487 -0.799 0.000 0.975 237 N HN 0.395 nan 8.380 nan 0.000 0.433 238 F N -0.578 119.160 119.950 -0.353 0.000 2.262 238 F HA 0.096 4.623 4.527 0.000 0.000 0.292 238 F C 2.383 177.773 175.800 -0.684 0.000 1.081 238 F CA 0.739 58.372 58.000 -0.611 0.000 1.355 238 F CB -0.608 38.197 39.000 -0.325 0.000 1.069 238 F HN 0.264 nan 8.300 nan 0.000 0.506 239 H N 0.445 119.247 119.070 -0.447 0.000 2.541 239 H HA -0.104 4.452 4.556 0.000 0.000 0.289 239 H C 1.418 176.576 175.328 -0.282 0.000 1.054 239 H CA 0.904 56.677 56.048 -0.458 0.000 1.250 239 H CB -0.084 29.341 29.762 -0.562 0.000 1.369 239 H HN 0.210 nan 8.280 nan 0.000 0.578 240 N N 0.235 118.834 118.700 -0.169 0.000 2.331 240 N HA -0.132 4.608 4.740 0.000 0.000 0.180 240 N C 0.760 176.272 175.510 0.003 0.000 1.019 240 N CA 1.226 54.253 53.050 -0.038 0.000 0.881 240 N CB 0.066 38.575 38.487 0.038 0.000 0.972 240 N HN 0.657 nan 8.380 nan 0.000 0.435 241 Y N -3.799 116.477 120.300 -0.039 0.000 2.666 241 Y HA 0.426 4.976 4.550 0.000 0.000 0.260 241 Y C -0.620 175.311 175.900 0.052 0.000 1.089 241 Y CA -1.040 57.041 58.100 -0.032 0.000 1.246 241 Y CB -0.245 38.176 38.460 -0.066 0.000 1.353 241 Y HN -0.204 nan 8.280 nan 0.000 0.558 242 F N 2.189 121.883 119.950 -0.427 0.000 2.771 242 F HA 0.684 5.211 4.527 0.000 0.000 0.365 242 F C -1.506 174.078 175.800 -0.360 0.000 1.169 242 F CA -1.993 55.814 58.000 -0.321 0.000 1.093 242 F CB 1.507 40.304 39.000 -0.338 0.000 1.363 242 F HN -0.167 nan 8.300 nan 0.000 0.496 243 V N 7.573 127.114 119.914 -0.622 0.000 2.260 243 V HA 0.296 4.416 4.120 0.000 0.000 0.263 243 V C -1.996 173.768 176.094 -0.550 0.000 1.036 243 V CA -1.246 60.683 62.300 -0.619 0.000 0.874 243 V CB 0.354 31.903 31.823 -0.456 0.000 1.116 243 V HN 0.546 nan 8.190 nan 0.000 0.454 244 P HA 0.068 nan 4.420 nan 0.000 0.269 244 P C -0.107 177.077 177.300 -0.194 0.000 1.209 244 P CA -0.091 62.712 63.100 -0.495 0.000 0.776 244 P CB 0.932 32.268 31.700 -0.606 0.000 0.876 245 N N 2.532 121.195 118.700 -0.061 0.000 3.303 245 N HA 0.045 4.785 4.740 0.000 0.000 0.304 245 N C 1.396 176.944 175.510 0.064 0.000 1.302 245 N CA -0.119 52.935 53.050 0.008 0.000 1.213 245 N CB -0.624 37.886 38.487 0.038 0.000 1.481 245 N HN 0.352 nan 8.380 nan 0.000 0.546 246 L N 0.620 121.873 121.223 0.050 0.000 2.123 246 L HA -0.341 3.999 4.340 0.000 0.000 0.217 246 L C 2.256 179.224 176.870 0.163 0.000 1.081 246 L CA 1.612 56.516 54.840 0.105 0.000 0.772 246 L CB -0.365 41.729 42.059 0.058 0.000 0.890 246 L HN 0.364 nan 8.230 nan 0.000 0.437 247 K N 0.054 120.529 120.400 0.124 0.000 1.971 247 K HA -0.204 4.116 4.320 0.000 0.000 0.221 247 K C 1.783 178.494 176.600 0.185 0.000 1.050 247 K CA 2.045 58.421 56.287 0.149 0.000 0.967 247 K CB -0.439 32.120 32.500 0.100 0.000 0.733 247 K HN 0.266 nan 8.250 nan 0.000 0.445 248 D N 0.643 121.121 120.400 0.130 0.000 2.117 248 D HA -0.174 4.466 4.640 0.000 0.000 0.197 248 D C 1.804 178.178 176.300 0.125 0.000 0.987 248 D CA 1.083 55.146 54.000 0.105 0.000 0.829 248 D CB -0.239 40.608 40.800 0.078 0.000 0.961 248 D HN 0.190 nan 8.370 nan 0.000 0.460 249 M N -0.670 119.035 119.600 0.175 0.000 2.202 249 M HA -0.195 4.285 4.480 0.000 0.000 0.262 249 M C 1.836 178.269 176.300 0.221 0.000 1.063 249 M CA 1.277 56.712 55.300 0.226 0.000 1.097 249 M CB -0.010 32.753 32.600 0.272 0.000 1.382 249 M HN 0.014 nan 8.290 nan 0.000 0.413 250 F N 0.113 120.114 119.950 0.084 0.000 2.118 250 F HA -0.056 4.471 4.527 0.000 0.000 0.293 250 F C 2.268 178.072 175.800 0.007 0.000 1.102 250 F CA 1.740 59.776 58.000 0.060 0.000 1.247 250 F CB -0.746 38.333 39.000 0.132 0.000 1.017 250 F HN 0.097 nan 8.300 nan 0.000 0.475 251 S N 0.793 116.498 115.700 0.007 0.000 2.359 251 S HA -0.291 4.179 4.470 0.000 0.000 0.222 251 S C 2.138 176.618 174.600 -0.199 0.000 1.038 251 S CA 1.743 59.874 58.200 -0.115 0.000 1.051 251 S CB -0.628 62.586 63.200 0.024 0.000 0.944 251 S HN 0.351 nan 8.310 nan 0.000 0.433 252 R N 0.919 121.345 120.500 -0.123 0.000 2.139 252 R HA -0.093 4.247 4.340 0.000 0.000 0.243 252 R C 2.085 178.260 176.300 -0.208 0.000 1.145 252 R CA 1.236 57.260 56.100 -0.128 0.000 0.976 252 R CB -0.357 29.859 30.300 -0.140 0.000 0.866 252 R HN 0.424 nan 8.270 nan 0.000 0.449 253 A N -0.648 121.944 122.820 -0.380 0.000 2.206 253 A HA 0.051 4.371 4.320 0.000 0.000 0.211 253 A C 1.623 178.757 177.584 -0.750 0.000 1.158 253 A CA 0.573 52.101 52.037 -0.849 0.000 0.761 253 A CB 0.373 18.809 19.000 -0.940 0.000 0.801 253 A HN 0.182 nan 8.150 nan 0.000 0.473 254 V N -0.935 118.644 119.914 -0.558 0.000 2.840 254 V HA 0.008 4.128 4.120 0.000 0.000 0.234 254 V C 1.380 177.304 176.094 -0.284 0.000 1.159 254 V CA 1.425 63.432 62.300 -0.489 0.000 1.194 254 V CB -0.340 31.129 31.823 -0.589 0.000 0.971 254 V HN 0.560 nan 8.190 nan 0.000 0.494 255 T N 0.380 114.810 114.554 -0.206 0.000 3.364 255 T HA 0.647 4.997 4.350 0.000 0.000 0.323 255 T C -0.579 174.073 174.700 -0.080 0.000 1.323 255 T CA 0.122 62.162 62.100 -0.101 0.000 1.073 255 T CB -0.106 68.726 68.868 -0.060 0.000 1.150 255 T HN 0.288 nan 8.240 nan 0.000 0.727 256 M N 2.710 122.271 119.600 -0.065 0.000 2.363 256 M HA 0.200 4.680 4.480 0.000 0.000 0.256 256 M C -0.237 176.083 176.300 0.034 0.000 1.005 256 M CA -0.297 54.999 55.300 -0.006 0.000 0.890 256 M CB 1.804 34.411 32.600 0.012 0.000 2.101 256 M HN 0.570 nan 8.290 nan 0.000 0.476 257 T N 2.575 117.185 114.554 0.093 0.000 2.939 257 T HA 0.336 4.686 4.350 0.000 0.000 0.319 257 T C 1.214 176.018 174.700 0.172 0.000 1.082 257 T CA 0.959 63.161 62.100 0.171 0.000 1.133 257 T CB 0.949 69.948 68.868 0.219 0.000 1.019 257 T HN 0.833 nan 8.240 nan 0.000 0.548 258 A N 4.848 127.806 122.820 0.231 0.000 1.869 258 A HA -0.012 4.308 4.320 0.000 0.000 0.218 258 A C 2.784 180.391 177.584 0.038 0.000 1.203 258 A CA 2.662 54.784 52.037 0.142 0.000 0.638 258 A CB -1.667 17.463 19.000 0.217 0.000 0.831 258 A HN 1.422 nan 8.150 nan 0.000 0.450 259 A N -0.949 121.818 122.820 -0.088 0.000 1.917 259 A HA -0.137 4.183 4.320 0.000 0.000 0.219 259 A C 2.477 180.059 177.584 -0.002 0.000 1.182 259 A CA 2.409 54.368 52.037 -0.131 0.000 0.633 259 A CB -1.003 17.863 19.000 -0.223 0.000 0.819 259 A HN 0.505 nan 8.150 nan 0.000 0.448 260 S N -1.951 113.786 115.700 0.061 0.000 2.348 260 S HA -0.156 4.314 4.470 0.000 0.000 0.221 260 S C 1.861 176.547 174.600 0.143 0.000 1.033 260 S CA 1.438 59.696 58.200 0.096 0.000 1.010 260 S CB -0.583 62.678 63.200 0.101 0.000 0.891 260 S HN 0.660 nan 8.310 nan 0.000 0.442 261 Y N 2.456 122.779 120.300 0.038 0.000 2.207 261 Y HA -0.209 4.341 4.550 0.000 0.000 0.287 261 Y C 2.422 178.379 175.900 0.096 0.000 1.156 261 Y CA 0.905 59.053 58.100 0.081 0.000 1.182 261 Y CB -0.809 37.662 38.460 0.018 0.000 0.979 261 Y HN 0.225 nan 8.280 nan 0.000 0.521 262 A N 0.211 123.072 122.820 0.069 0.000 1.883 262 A HA -0.267 4.053 4.320 0.000 0.000 0.217 262 A C 2.347 179.876 177.584 -0.091 0.000 1.186 262 A CA 2.134 54.132 52.037 -0.065 0.000 0.624 262 A CB -0.792 18.131 19.000 -0.128 0.000 0.822 262 A HN 0.538 nan 8.150 nan 0.000 0.444 263 R N -2.046 118.436 120.500 -0.030 0.000 2.090 263 R HA -0.135 4.205 4.340 0.000 0.000 0.228 263 R C 2.083 178.361 176.300 -0.037 0.000 1.110 263 R CA 1.547 57.638 56.100 -0.016 0.000 0.973 263 R CB -0.576 29.749 30.300 0.042 0.000 0.869 263 R HN 0.600 nan 8.270 nan 0.000 0.440 264 Y N 0.436 120.663 120.300 -0.122 0.000 2.193 264 Y HA -0.227 4.323 4.550 0.000 0.000 0.285 264 Y C 1.639 177.430 175.900 -0.182 0.000 1.166 264 Y CA 1.786 59.799 58.100 -0.144 0.000 1.181 264 Y CB -0.351 37.998 38.460 -0.186 0.000 0.976 264 Y HN -0.091 nan 8.280 nan 0.000 0.520 265 V N 0.033 119.635 119.914 -0.520 0.000 2.346 265 V HA -0.223 3.897 4.120 0.000 0.000 0.244 265 V C 2.399 178.313 176.094 -0.300 0.000 1.037 265 V CA 1.508 63.491 62.300 -0.527 0.000 1.029 265 V CB -0.835 30.779 31.823 -0.347 0.000 0.663 265 V HN 0.484 nan 8.190 nan 0.000 0.454 266 L N 0.039 121.149 121.223 -0.188 0.000 2.043 266 L HA -0.273 4.067 4.340 0.000 0.000 0.212 266 L C 2.509 179.312 176.870 -0.111 0.000 1.075 266 L CA 2.080 56.854 54.840 -0.109 0.000 0.752 266 L CB -0.502 41.521 42.059 -0.060 0.000 0.891 266 L HN 0.370 nan 8.230 nan 0.000 0.432 267 Q N -0.933 118.785 119.800 -0.137 0.000 2.079 267 Q HA -0.233 4.107 4.340 0.000 0.000 0.200 267 Q C 2.321 178.237 176.000 -0.140 0.000 0.974 267 Q CA 1.573 57.310 55.803 -0.110 0.000 0.840 267 Q CB -0.195 28.494 28.738 -0.080 0.000 0.898 267 Q HN 0.465 nan 8.270 nan 0.000 0.430 268 K N 0.614 120.862 120.400 -0.254 0.000 2.113 268 K HA -0.151 4.169 4.320 0.000 0.000 0.208 268 K C 2.024 178.547 176.600 -0.128 0.000 1.047 268 K CA 1.005 57.152 56.287 -0.234 0.000 0.928 268 K CB -0.048 32.214 32.500 -0.397 0.000 0.716 268 K HN 0.187 nan 8.250 nan 0.000 0.446 269 L N 0.063 121.214 121.223 -0.121 0.000 2.044 269 L HA -0.162 4.178 4.340 0.000 0.000 0.205 269 L C 2.290 179.113 176.870 -0.079 0.000 1.075 269 L CA 0.737 55.529 54.840 -0.081 0.000 0.747 269 L CB -0.515 41.493 42.059 -0.085 0.000 0.903 269 L HN -0.014 nan 8.230 nan 0.000 0.435 270 V N 0.450 120.320 119.914 -0.073 0.000 2.324 270 V HA -0.322 3.798 4.120 0.000 0.000 0.250 270 V C 2.477 178.547 176.094 -0.040 0.000 1.060 270 V CA 1.957 64.223 62.300 -0.056 0.000 1.042 270 V CB -0.523 31.278 31.823 -0.035 0.000 0.650 270 V HN 0.354 nan 8.190 nan 0.000 0.450 271 L N -0.425 120.777 121.223 -0.035 0.000 1.994 271 L HA -0.160 4.180 4.340 0.000 0.000 0.208 271 L C 2.214 179.075 176.870 -0.014 0.000 1.071 271 L CA 1.981 56.811 54.840 -0.016 0.000 0.745 271 L CB -0.575 41.473 42.059 -0.018 0.000 0.892 271 L HN 0.164 nan 8.230 nan 0.000 0.431 272 L N -0.018 121.194 121.223 -0.019 0.000 2.127 272 L HA -0.218 4.122 4.340 0.000 0.000 0.211 272 L C 2.587 179.445 176.870 -0.020 0.000 1.089 272 L CA 1.798 56.636 54.840 -0.003 0.000 0.757 272 L CB -0.896 41.176 42.059 0.023 0.000 0.899 272 L HN 0.481 nan 8.230 nan 0.000 0.434 273 E N -0.663 119.507 120.200 -0.050 0.000 2.047 273 E HA -0.217 4.133 4.350 0.000 0.000 0.191 273 E C 2.213 178.786 176.600 -0.045 0.000 0.987 273 E CA 1.101 57.459 56.400 -0.069 0.000 0.799 273 E CB -0.069 29.572 29.700 -0.098 0.000 0.752 273 E HN 0.440 nan 8.360 nan 0.000 0.449 274 M N 0.086 119.670 119.600 -0.028 0.000 2.460 274 M HA -0.097 4.383 4.480 0.000 0.000 0.263 274 M C 1.545 177.845 176.300 0.001 0.000 1.071 274 M CA 1.023 56.319 55.300 -0.006 0.000 1.096 274 M CB 0.127 32.739 32.600 0.019 0.000 1.408 274 M HN -0.105 nan 8.290 nan 0.000 0.463 275 K N -0.113 120.286 120.400 -0.002 0.000 2.417 275 K HA 0.150 4.470 4.320 0.000 0.000 0.196 275 K C 1.091 177.691 176.600 0.000 0.000 1.023 275 K CA 0.397 56.686 56.287 0.003 0.000 1.122 275 K CB 0.199 32.703 32.500 0.007 0.000 0.850 275 K HN 0.482 nan 8.250 nan 0.000 0.521 276 G N 0.877 109.673 108.800 -0.007 0.000 2.189 276 G HA2 -0.300 3.660 3.960 0.000 0.000 0.267 276 G HA3 -0.300 3.660 3.960 0.000 0.000 0.267 276 G C 0.804 175.705 174.900 0.001 0.000 0.975 276 G CA 0.279 45.374 45.100 -0.008 0.000 0.644 276 G HN 0.478 nan 8.290 nan 0.000 0.537 277 G N -0.832 107.974 108.800 0.011 0.000 2.807 277 G HA2 0.083 4.043 3.960 0.000 0.000 0.207 277 G HA3 0.083 4.043 3.960 0.000 0.000 0.207 277 G C 1.246 176.193 174.900 0.078 0.000 1.151 277 G CA 1.482 46.610 45.100 0.047 0.000 0.800 277 G HN 0.742 nan 8.290 nan 0.000 0.523 278 c N -0.750 117.854 118.600 0.007 0.000 2.974 278 c HA 0.418 4.988 4.570 0.000 0.000 0.282 278 c C 1.968 176.060 174.090 0.003 0.000 1.292 278 c CA -0.366 55.944 56.329 -0.032 0.000 1.710 278 c CB -0.595 41.840 42.510 -0.125 0.000 2.036 278 c HN 0.534 nan 8.230 nan 0.000 0.629 279 R N -0.391 120.119 120.500 0.018 0.000 2.637 279 R HA 0.107 4.447 4.340 0.000 0.000 0.262 279 R C -0.049 176.260 176.300 0.016 0.000 0.959 279 R CA 0.108 56.215 56.100 0.013 0.000 1.061 279 R CB 0.412 30.709 30.300 -0.005 0.000 1.610 279 R HN 0.190 nan 8.270 nan 0.000 0.548 280 E N 1.340 121.551 120.200 0.018 0.000 4.044 280 E HA 0.215 4.565 4.350 0.000 0.000 0.216 280 E C -2.614 173.991 176.600 0.008 0.000 1.104 280 E CA -1.748 54.654 56.400 0.003 0.000 1.383 280 E CB 1.377 31.073 29.700 -0.007 0.000 1.195 280 E HN -0.026 nan 8.360 nan 0.000 0.442 281 P HA -0.114 nan 4.420 nan 0.000 0.235 281 P C -0.086 177.173 177.300 -0.069 0.000 1.080 281 P CA 0.543 63.666 63.100 0.039 0.000 1.096 281 P CB -0.012 31.711 31.700 0.038 0.000 1.085 282 E N 2.745 122.911 120.200 -0.058 0.000 2.324 282 E HA 0.096 4.446 4.350 0.000 0.000 0.271 282 E C -0.127 176.361 176.600 -0.188 0.000 1.028 282 E CA 0.001 56.337 56.400 -0.107 0.000 0.890 282 E CB 0.165 29.829 29.700 -0.059 0.000 1.004 282 E HN 0.349 nan 8.360 nan 0.000 0.431 283 L N 5.581 126.634 121.223 -0.282 0.000 2.423 283 L HA 0.215 4.555 4.340 0.000 0.000 0.249 283 L C -0.505 176.218 176.870 -0.246 0.000 1.276 283 L CA -0.296 54.283 54.840 -0.434 0.000 1.199 283 L CB -0.650 40.994 42.059 -0.692 0.000 1.407 283 L HN 0.558 nan 8.230 nan 0.000 0.410 284 D N -2.706 117.627 120.400 -0.112 0.000 2.553 284 D HA 0.302 4.942 4.640 0.000 0.000 0.249 284 D C 1.269 177.629 176.300 0.099 0.000 1.062 284 D CA -0.266 53.745 54.000 0.018 0.000 1.085 284 D CB 0.695 41.495 40.800 0.002 0.000 1.350 284 D HN 0.100 nan 8.370 nan 0.000 0.575 285 T N -2.587 112.051 114.554 0.140 0.000 2.665 285 T HA -0.297 4.053 4.350 0.000 0.000 0.268 285 T C 1.514 176.315 174.700 0.168 0.000 1.035 285 T CA 1.756 63.972 62.100 0.193 0.000 1.151 285 T CB -0.666 68.214 68.868 0.021 0.000 0.862 285 T HN 0.616 nan 8.240 nan 0.000 0.438 286 E N 0.943 121.197 120.200 0.090 0.000 2.023 286 E HA -0.195 4.155 4.350 0.000 0.000 0.196 286 E C 2.350 179.001 176.600 0.085 0.000 1.003 286 E CA 1.915 58.363 56.400 0.080 0.000 0.809 286 E CB -0.510 29.219 29.700 0.049 0.000 0.755 286 E HN 0.578 nan 8.360 nan 0.000 0.449 287 T N 1.195 115.780 114.554 0.052 0.000 2.720 287 T HA -0.175 4.175 4.350 0.000 0.000 0.268 287 T C 1.815 176.521 174.700 0.011 0.000 1.037 287 T CA 1.218 63.338 62.100 0.034 0.000 1.144 287 T CB -0.217 68.634 68.868 -0.028 0.000 0.864 287 T HN 0.069 nan 8.240 nan 0.000 0.444 288 L N 0.650 121.862 121.223 -0.019 0.000 2.109 288 L HA -0.026 4.314 4.340 0.000 0.000 0.207 288 L C 2.787 179.718 176.870 0.101 0.000 1.086 288 L CA 1.554 56.315 54.840 -0.132 0.000 0.760 288 L CB -1.016 40.752 42.059 -0.484 0.000 0.910 288 L HN 0.230 nan 8.230 nan 0.000 0.437 289 T N -1.322 113.406 114.554 0.290 0.000 2.674 289 T HA -0.223 4.127 4.350 0.000 0.000 0.265 289 T C 1.883 176.745 174.700 0.270 0.000 1.039 289 T CA 2.138 64.453 62.100 0.359 0.000 1.150 289 T CB -0.547 68.484 68.868 0.271 0.000 0.864 289 T HN 0.616 nan 8.240 nan 0.000 0.427 290 T N 1.340 115.993 114.554 0.165 0.000 2.699 290 T HA -0.209 4.141 4.350 0.000 0.000 0.268 290 T C 2.013 176.797 174.700 0.139 0.000 1.036 290 T CA 1.523 63.687 62.100 0.106 0.000 1.147 290 T CB -0.722 68.186 68.868 0.067 0.000 0.862 290 T HN 0.285 nan 8.240 nan 0.000 0.446 291 M N 0.185 119.866 119.600 0.136 0.000 2.082 291 M HA 0.005 4.485 4.480 0.000 0.000 0.258 291 M C 2.159 178.562 176.300 0.172 0.000 1.071 291 M CA 2.308 57.676 55.300 0.112 0.000 1.103 291 M CB -0.713 31.821 32.600 -0.110 0.000 1.307 291 M HN 0.301 nan 8.290 nan 0.000 0.409 292 F N 1.424 121.339 119.950 -0.058 0.000 2.126 292 F HA -0.216 4.311 4.527 0.000 0.000 0.299 292 F C 2.151 178.097 175.800 0.243 0.000 1.096 292 F CA 1.829 59.897 58.000 0.112 0.000 1.255 292 F CB -0.418 38.654 39.000 0.121 0.000 0.997 292 F HN 0.200 nan 8.300 nan 0.000 0.479 293 E N -0.406 119.855 120.200 0.101 0.000 2.150 293 E HA -0.151 4.199 4.350 0.000 0.000 0.193 293 E C 2.386 179.047 176.600 0.102 0.000 0.985 293 E CA 1.288 57.729 56.400 0.068 0.000 0.814 293 E CB -0.393 29.381 29.700 0.123 0.000 0.752 293 E HN 0.330 nan 8.360 nan 0.000 0.466 294 V N 1.769 121.762 119.914 0.132 0.000 2.407 294 V HA -0.257 3.863 4.120 0.000 0.000 0.248 294 V C 2.538 178.813 176.094 0.301 0.000 1.055 294 V CA 2.165 64.582 62.300 0.196 0.000 1.049 294 V CB -0.459 31.495 31.823 0.219 0.000 0.662 294 V HN 0.362 nan 8.190 nan 0.000 0.455 295 S N -0.818 115.028 115.700 0.243 0.000 2.414 295 S HA -0.076 4.394 4.470 0.000 0.000 0.227 295 S C 1.881 176.618 174.600 0.228 0.000 1.022 295 S CA 1.135 59.466 58.200 0.219 0.000 0.958 295 S CB -0.145 63.166 63.200 0.185 0.000 0.797 295 S HN 0.316 nan 8.310 nan 0.000 0.493 296 V N 2.447 122.408 119.914 0.079 0.000 2.515 296 V HA -0.065 4.055 4.120 0.000 0.000 0.250 296 V C 3.075 179.345 176.094 0.294 0.000 1.058 296 V CA 1.490 63.845 62.300 0.091 0.000 1.064 296 V CB -1.417 30.274 31.823 -0.221 0.000 0.675 296 V HN 0.645 nan 8.190 nan 0.000 0.461 297 A N -0.464 122.612 122.820 0.427 0.000 1.902 297 A HA -0.176 4.144 4.320 0.000 0.000 0.217 297 A C 2.026 179.698 177.584 0.145 0.000 1.181 297 A CA 1.742 54.004 52.037 0.374 0.000 0.623 297 A CB -0.649 18.470 19.000 0.199 0.000 0.818 297 A HN 0.466 nan 8.150 nan 0.000 0.443 298 F N -1.675 118.337 119.950 0.103 0.000 2.206 298 F HA -0.020 4.507 4.527 0.000 0.000 0.298 298 F C 1.964 177.839 175.800 0.124 0.000 1.090 298 F CA 1.309 59.336 58.000 0.045 0.000 1.323 298 F CB -0.480 38.536 39.000 0.028 0.000 1.028 298 F HN 0.365 nan 8.300 nan 0.000 0.492 299 F N 1.207 121.298 119.950 0.236 0.000 2.102 299 F HA -0.169 4.358 4.527 0.000 0.000 0.298 299 F C 2.304 178.235 175.800 0.219 0.000 1.105 299 F CA 1.531 59.663 58.000 0.220 0.000 1.239 299 F CB -0.586 38.527 39.000 0.187 0.000 0.991 299 F HN -0.284 nan 8.300 nan 0.000 0.474 300 K N 0.564 120.917 120.400 -0.078 0.000 2.034 300 K HA -0.178 4.142 4.320 0.000 0.000 0.214 300 K C 2.218 178.782 176.600 -0.059 0.000 1.051 300 K CA 1.851 58.036 56.287 -0.171 0.000 0.931 300 K CB -1.083 31.375 32.500 -0.070 0.000 0.715 300 K HN 0.284 nan 8.250 nan 0.000 0.446 301 V N 0.393 120.299 119.914 -0.015 0.000 2.287 301 V HA -0.219 3.901 4.120 0.000 0.000 0.248 301 V C 2.481 178.637 176.094 0.103 0.000 1.053 301 V CA 2.242 64.552 62.300 0.015 0.000 1.027 301 V CB -1.032 30.661 31.823 -0.216 0.000 0.646 301 V HN 0.475 nan 8.190 nan 0.000 0.447 302 G N -1.597 107.290 108.800 0.145 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 1.556 176.579 174.900 0.204 0.000 1.150 302 G CA 0.849 46.156 45.100 0.345 0.000 0.776 302 G HN 0.614 nan 8.290 nan 0.000 0.542 303 H N 0.730 119.720 119.070 -0.133 0.000 2.495 303 H HA 0.147 4.703 4.556 0.000 0.000 0.287 303 H C 2.610 177.882 175.328 -0.093 0.000 1.033 303 H CA 0.888 56.801 56.048 -0.225 0.000 1.307 303 H CB 0.223 29.593 29.762 -0.653 0.000 1.401 303 H HN 0.346 nan 8.280 nan 0.000 0.555 304 A N 0.322 123.125 122.820 -0.028 0.000 1.840 304 A HA -0.079 4.241 4.320 0.000 0.000 0.214 304 A C 2.610 180.166 177.584 -0.048 0.000 1.198 304 A CA 1.250 53.270 52.037 -0.029 0.000 0.608 304 A CB -0.839 18.238 19.000 0.127 0.000 0.839 304 A HN 0.251 nan 8.150 nan 0.000 0.443 305 V N 0.325 120.274 119.914 0.057 0.000 2.867 305 V HA -0.148 3.972 4.120 0.000 0.000 0.260 305 V C 2.569 178.651 176.094 -0.020 0.000 1.099 305 V CA 1.639 63.975 62.300 0.059 0.000 1.122 305 V CB -1.366 30.561 31.823 0.173 0.000 0.708 305 V HN 0.624 nan 8.190 nan 0.000 0.490 306 G N -0.438 108.316 108.800 -0.077 0.000 2.404 306 G HA2 -0.133 3.827 3.960 0.000 0.000 0.213 306 G HA3 -0.133 3.827 3.960 0.000 0.000 0.213 306 G C 1.426 176.221 174.900 -0.175 0.000 1.189 306 G CA 0.314 45.330 45.100 -0.140 0.000 0.796 306 G HN 0.449 nan 8.290 nan 0.000 0.532 307 E N 0.878 120.922 120.200 -0.260 0.000 2.097 307 E HA -0.132 4.218 4.350 0.000 0.000 0.196 307 E C 1.947 178.462 176.600 -0.142 0.000 1.000 307 E CA 1.546 57.810 56.400 -0.226 0.000 0.804 307 E CB -0.756 28.794 29.700 -0.250 0.000 0.740 307 E HN 0.522 nan 8.360 nan 0.000 0.454 308 T N -0.527 113.951 114.554 -0.126 0.000 3.783 308 T HA 0.437 4.787 4.350 0.000 0.000 0.262 308 T C 0.548 175.205 174.700 -0.073 0.000 1.381 308 T CA -0.179 61.862 62.100 -0.097 0.000 1.155 308 T CB 0.045 68.850 68.868 -0.105 0.000 1.256 308 T HN 0.047 nan 8.240 nan 0.000 0.807 309 G N 1.543 110.301 108.800 -0.070 0.000 2.441 309 G HA2 0.275 4.235 3.960 0.000 0.000 0.243 309 G HA3 0.275 4.235 3.960 0.000 0.000 0.243 309 G C 0.619 175.493 174.900 -0.043 0.000 1.281 309 G CA -0.694 44.373 45.100 -0.055 0.000 0.854 309 G HN 0.591 nan 8.290 nan 0.000 0.560 310 N N -0.097 118.582 118.700 -0.035 0.000 2.714 310 N HA -0.171 4.569 4.740 0.000 0.000 0.250 310 N C 0.917 176.409 175.510 -0.030 0.000 1.117 310 N CA 1.308 54.341 53.050 -0.028 0.000 0.719 310 N CB -1.106 37.366 38.487 -0.025 0.000 1.081 310 N HN 0.888 nan 8.380 nan 0.000 0.557 311 G N -0.989 107.790 108.800 -0.035 0.000 2.890 311 G HA2 0.611 4.571 3.960 0.000 0.000 0.189 311 G HA3 0.611 4.571 3.960 0.000 0.000 0.189 311 G C -0.734 174.147 174.900 -0.031 0.000 1.342 311 G CA 0.127 45.204 45.100 -0.038 0.000 1.026 311 G HN 0.389 nan 8.290 nan 0.000 0.579 312 c N 0.357 118.936 118.600 -0.036 0.000 2.716 312 c HA 0.554 5.124 4.570 0.000 0.000 0.366 312 c C -0.355 173.719 174.090 -0.026 0.000 1.073 312 c CA -0.762 55.553 56.329 -0.022 0.000 1.260 312 c CB 0.277 42.777 42.510 -0.016 0.000 1.755 312 c HN 0.785 nan 8.230 nan 0.000 0.475 313 V N 2.786 122.700 119.914 -0.000 0.000 2.432 313 V HA 0.456 4.576 4.120 0.000 0.000 0.275 313 V C 0.173 176.314 176.094 0.078 0.000 1.043 313 V CA -0.160 62.152 62.300 0.020 0.000 0.925 313 V CB 1.286 33.170 31.823 0.102 0.000 0.985 313 V HN 0.868 nan 8.190 nan 0.000 0.466 314 D N 3.024 123.476 120.400 0.086 0.000 2.455 314 D HA 0.023 4.663 4.640 0.000 0.000 0.241 314 D C 0.764 177.185 176.300 0.202 0.000 1.138 314 D CA -0.125 53.946 54.000 0.119 0.000 0.877 314 D CB 1.278 42.142 40.800 0.107 0.000 1.187 314 D HN 0.598 nan 8.370 nan 0.000 0.451 315 L N 4.473 125.793 121.223 0.162 0.000 2.191 315 L HA -0.101 4.239 4.340 0.000 0.000 0.212 315 L C 2.059 179.126 176.870 0.330 0.000 1.103 315 L CA 1.634 56.599 54.840 0.208 0.000 0.769 315 L CB -0.282 41.899 42.059 0.203 0.000 0.908 315 L HN 0.479 nan 8.230 nan 0.000 0.438 316 R N -1.500 119.175 120.500 0.293 0.000 2.092 316 R HA -0.224 4.116 4.340 0.000 0.000 0.231 316 R C 2.172 178.647 176.300 0.291 0.000 1.119 316 R CA 1.715 58.004 56.100 0.316 0.000 0.970 316 R CB -0.811 29.507 30.300 0.031 0.000 0.864 316 R HN 0.605 nan 8.270 nan 0.000 0.440 317 W N 2.212 123.585 121.300 0.121 0.000 2.355 317 W HA -0.178 4.482 4.660 0.000 0.000 0.309 317 W C 1.470 178.084 176.519 0.157 0.000 1.206 317 W CA 1.400 58.814 57.345 0.114 0.000 1.284 317 W CB -0.223 29.288 29.460 0.083 0.000 1.145 317 W HN 0.049 nan 8.180 nan 0.000 0.502 318 L N 1.205 122.551 121.223 0.204 0.000 2.005 318 L HA -0.170 4.170 4.340 0.000 0.000 0.207 318 L C 2.922 179.849 176.870 0.095 0.000 1.072 318 L CA 1.539 56.475 54.840 0.161 0.000 0.744 318 L CB -1.751 40.379 42.059 0.118 0.000 0.895 318 L HN -0.078 nan 8.230 nan 0.000 0.433 319 A N -0.060 122.806 122.820 0.077 0.000 2.032 319 A HA -0.270 4.050 4.320 0.000 0.000 0.221 319 A C 2.444 180.042 177.584 0.024 0.000 1.165 319 A CA 2.219 54.263 52.037 0.011 0.000 0.645 319 A CB -0.446 18.506 19.000 -0.080 0.000 0.807 319 A HN 0.415 nan 8.150 nan 0.000 0.453 320 K N -1.202 119.195 120.400 -0.004 0.000 2.121 320 K HA 0.027 4.348 4.320 0.000 0.000 0.203 320 K C 2.264 178.814 176.600 -0.083 0.000 1.041 320 K CA 1.010 57.276 56.287 -0.034 0.000 0.969 320 K CB -0.049 32.395 32.500 -0.094 0.000 0.799 320 K HN 0.395 nan 8.250 nan 0.000 0.456 321 S N 0.769 116.269 115.700 -0.332 0.000 2.343 321 S HA -0.086 4.384 4.470 0.000 0.000 0.219 321 S C 1.636 176.106 174.600 -0.217 0.000 1.033 321 S CA 1.329 59.284 58.200 -0.409 0.000 1.014 321 S CB -0.385 62.387 63.200 -0.713 0.000 0.915 321 S HN 0.264 nan 8.310 nan 0.000 0.435 322 F N 0.698 120.540 119.950 -0.179 0.000 2.408 322 F HA -0.033 4.494 4.527 0.000 0.000 0.300 322 F C 1.817 177.558 175.800 -0.098 0.000 1.090 322 F CA 0.666 58.592 58.000 -0.123 0.000 1.427 322 F CB -0.277 38.686 39.000 -0.062 0.000 1.070 322 F HN 0.215 nan 8.300 nan 0.000 0.549 323 F N 1.269 121.191 119.950 -0.047 0.000 2.098 323 F HA -0.132 4.395 4.527 0.000 0.000 0.294 323 F C 2.307 178.010 175.800 -0.161 0.000 1.107 323 F CA 1.472 59.409 58.000 -0.105 0.000 1.234 323 F CB -0.559 38.375 39.000 -0.109 0.000 1.002 323 F HN -0.193 nan 8.300 nan 0.000 0.472 324 E N 0.850 120.842 120.200 -0.347 0.000 2.209 324 E HA -0.201 4.149 4.350 0.000 0.000 0.196 324 E C 2.405 178.733 176.600 -0.453 0.000 0.993 324 E CA 1.224 57.368 56.400 -0.426 0.000 0.819 324 E CB -0.536 29.046 29.700 -0.197 0.000 0.745 324 E HN 0.503 nan 8.360 nan 0.000 0.477 325 L N 0.260 121.202 121.223 -0.468 0.000 2.095 325 L HA -0.095 4.245 4.340 0.000 0.000 0.204 325 L C 2.461 179.139 176.870 -0.320 0.000 1.080 325 L CA 1.174 55.669 54.840 -0.575 0.000 0.759 325 L CB -0.509 41.082 42.059 -0.780 0.000 0.914 325 L HN 0.078 nan 8.230 nan 0.000 0.439 326 T N -0.570 113.815 114.554 -0.282 0.000 2.708 326 T HA -0.215 4.135 4.350 0.000 0.000 0.266 326 T C 1.883 176.400 174.700 -0.304 0.000 1.037 326 T CA 1.578 63.557 62.100 -0.202 0.000 1.146 326 T CB -0.352 68.411 68.868 -0.174 0.000 0.865 326 T HN 0.168 nan 8.240 nan 0.000 0.435 327 V N 1.211 120.786 119.914 -0.565 0.000 2.490 327 V HA -0.078 4.042 4.120 0.000 0.000 0.250 327 V C 2.226 178.163 176.094 -0.261 0.000 1.061 327 V CA 1.432 63.383 62.300 -0.581 0.000 1.064 327 V CB -0.478 30.835 31.823 -0.850 0.000 0.670 327 V HN 0.377 nan 8.190 nan 0.000 0.461 328 L N 0.781 121.875 121.223 -0.215 0.000 2.027 328 L HA -0.119 4.221 4.340 0.000 0.000 0.206 328 L C 2.533 179.428 176.870 0.041 0.000 1.074 328 L CA 2.664 57.464 54.840 -0.067 0.000 0.745 328 L CB -0.975 41.044 42.059 -0.066 0.000 0.898 328 L HN 0.396 nan 8.230 nan 0.000 0.433 329 K N -0.715 119.748 120.400 0.106 0.000 2.113 329 K HA -0.229 4.091 4.320 0.000 0.000 0.208 329 K C 1.651 178.268 176.600 0.029 0.000 1.047 329 K CA 1.923 58.289 56.287 0.132 0.000 0.928 329 K CB -0.234 32.364 32.500 0.164 0.000 0.716 329 K HN 0.453 nan 8.250 nan 0.000 0.446 330 D N 0.934 121.321 120.400 -0.021 0.000 2.084 330 D HA -0.182 4.458 4.640 0.000 0.000 0.196 330 D C 1.969 178.247 176.300 -0.037 0.000 0.985 330 D CA 1.210 55.190 54.000 -0.035 0.000 0.826 330 D CB -0.226 40.539 40.800 -0.057 0.000 0.978 330 D HN 0.326 nan 8.370 nan 0.000 0.456 331 I N 0.938 121.482 120.570 -0.042 0.000 2.286 331 I HA -0.237 3.933 4.170 0.000 0.000 0.248 331 I C 2.172 178.227 176.117 -0.102 0.000 1.115 331 I CA 0.931 62.189 61.300 -0.070 0.000 1.392 331 I CB 0.034 37.997 38.000 -0.062 0.000 1.065 331 I HN -0.092 nan 8.210 nan 0.000 0.418 332 I N 0.673 121.216 120.570 -0.045 0.000 2.361 332 I HA -0.206 3.964 4.170 0.000 0.000 0.251 332 I C 2.425 178.537 176.117 -0.008 0.000 1.133 332 I CA 1.457 62.750 61.300 -0.012 0.000 1.413 332 I CB -0.717 37.328 38.000 0.074 0.000 1.073 332 I HN 0.341 nan 8.210 nan 0.000 0.424 333 G N 0.649 109.441 108.800 -0.014 0.000 2.441 333 G HA2 -0.026 3.934 3.960 0.000 0.000 0.212 333 G HA3 -0.026 3.934 3.960 0.000 0.000 0.212 333 G C 1.660 176.542 174.900 -0.029 0.000 1.164 333 G CA 0.111 45.210 45.100 -0.002 0.000 0.811 333 G HN 0.262 nan 8.290 nan 0.000 0.535 334 I N 0.235 120.769 120.570 -0.060 0.000 2.226 334 I HA -0.174 3.996 4.170 0.000 0.000 0.245 334 I C 2.839 178.892 176.117 -0.107 0.000 1.100 334 I CA 0.585 61.841 61.300 -0.073 0.000 1.374 334 I CB -0.300 37.653 38.000 -0.079 0.000 1.057 334 I HN 0.319 nan 8.210 nan 0.000 0.413 335 c N 0.157 118.637 118.600 -0.202 0.000 2.610 335 c HA -0.077 4.493 4.570 0.000 0.000 0.285 335 c C 1.094 175.050 174.090 -0.223 0.000 1.267 335 c CA 0.213 56.333 56.329 -0.349 0.000 1.716 335 c CB -0.563 41.512 42.510 -0.726 0.000 2.117 335 c HN 0.270 nan 8.230 nan 0.000 0.481 336 Y N -0.088 120.220 120.300 0.013 0.000 2.419 336 Y HA 0.472 5.022 4.550 0.000 0.000 0.328 336 Y C 1.114 177.025 175.900 0.018 0.000 1.162 336 Y CA -0.711 57.404 58.100 0.024 0.000 1.174 336 Y CB 0.237 38.727 38.460 0.050 0.000 1.228 336 Y HN 0.289 nan 8.280 nan 0.000 0.473 337 G N 0.794 109.706 108.800 0.186 0.000 3.392 337 G HA2 0.363 4.323 3.960 0.000 0.000 0.247 337 G HA3 0.363 4.323 3.960 0.000 0.000 0.247 337 G C 0.154 175.109 174.900 0.092 0.000 1.161 337 G CA 0.050 45.208 45.100 0.097 0.000 1.739 337 G HN 0.747 nan 8.290 nan 0.000 0.619 338 A N 0.448 123.345 122.820 0.129 0.000 2.340 338 A HA 0.773 5.093 4.320 0.000 0.000 0.268 338 A C 0.477 178.088 177.584 0.045 0.000 1.100 338 A CA -0.138 51.959 52.037 0.100 0.000 0.803 338 A CB 0.851 19.951 19.000 0.168 0.000 1.043 338 A HN 0.287 nan 8.150 nan 0.000 0.488 339 T N 0.259 114.824 114.554 0.017 0.000 2.924 339 T HA 0.646 4.996 4.350 0.000 0.000 0.291 339 T C -0.764 173.916 174.700 -0.034 0.000 1.045 339 T CA -0.514 61.587 62.100 0.001 0.000 1.015 339 T CB 1.638 70.516 68.868 0.016 0.000 1.103 339 T HN 0.604 nan 8.240 nan 0.000 0.496 340 V N 2.082 121.953 119.914 -0.072 0.000 2.686 340 V HA 0.736 4.856 4.120 0.000 0.000 0.306 340 V C -0.799 175.211 176.094 -0.139 0.000 1.065 340 V CA -1.018 61.176 62.300 -0.176 0.000 0.894 340 V CB 1.839 33.464 31.823 -0.330 0.000 1.004 340 V HN 1.010 nan 8.190 nan 0.000 0.424 341 K N 2.352 122.618 120.400 -0.223 0.000 2.543 341 K HA 0.735 5.055 4.320 0.000 0.000 0.255 341 K C 0.101 176.587 176.600 -0.189 0.000 0.934 341 K CA -0.143 56.030 56.287 -0.190 0.000 0.810 341 K CB 2.086 34.367 32.500 -0.364 0.000 1.315 341 K HN 1.356 nan 8.250 nan 0.000 0.433 342 G N 2.068 110.940 108.800 0.119 0.000 2.154 342 G HA2 -0.120 3.840 3.960 0.000 0.000 0.186 342 G HA3 -0.120 3.840 3.960 0.000 0.000 0.186 342 G C 0.131 174.962 174.900 -0.115 0.000 1.000 342 G CA 0.130 45.293 45.100 0.104 0.000 0.664 342 G HN 0.458 nan 8.290 nan 0.000 0.513 343 M N -0.525 119.082 119.600 0.012 0.000 2.268 343 M HA 0.311 4.791 4.480 0.000 0.000 0.355 343 M C 0.706 177.152 176.300 0.244 0.000 0.938 343 M CA 0.478 55.819 55.300 0.068 0.000 1.025 343 M CB 0.538 33.247 32.600 0.182 0.000 1.773 343 M HN 0.313 nan 8.290 nan 0.000 0.613 344 Q N 0.553 120.483 119.800 0.216 0.000 2.199 344 Q HA 0.539 4.879 4.340 0.000 0.000 0.232 344 Q C 0.155 176.242 176.000 0.146 0.000 0.969 344 Q CA -0.235 55.713 55.803 0.243 0.000 0.925 344 Q CB 1.578 30.422 28.738 0.176 0.000 1.198 344 Q HN 0.121 nan 8.270 nan 0.000 0.494 345 S N -0.025 115.707 115.700 0.053 0.000 2.673 345 S HA 0.187 4.657 4.470 0.000 0.000 0.256 345 S C 0.004 174.514 174.600 -0.150 0.000 1.141 345 S CA -0.753 57.391 58.200 -0.095 0.000 1.109 345 S CB -0.220 62.877 63.200 -0.173 0.000 1.101 345 S HN 0.737 nan 8.310 nan 0.000 0.471 346 Y N 3.174 123.428 120.300 -0.077 0.000 2.348 346 Y HA 0.032 4.582 4.550 0.000 0.000 0.285 346 Y C 1.693 177.540 175.900 -0.087 0.000 1.173 346 Y CA 1.555 59.608 58.100 -0.078 0.000 1.263 346 Y CB -0.968 37.437 38.460 -0.091 0.000 0.974 346 Y HN 0.600 nan 8.280 nan 0.000 0.547 347 G N 1.501 109.901 108.800 -0.668 0.000 2.464 347 G HA2 -0.272 3.688 3.960 0.000 0.000 0.214 347 G HA3 -0.272 3.688 3.960 0.000 0.000 0.214 347 G C 1.467 176.213 174.900 -0.257 0.000 1.218 347 G CA 1.035 45.847 45.100 -0.480 0.000 0.794 347 G HN 0.470 nan 8.290 nan 0.000 0.542 348 L N 0.916 121.973 121.223 -0.277 0.000 2.129 348 L HA -0.084 4.256 4.340 0.000 0.000 0.212 348 L C 2.572 179.339 176.870 -0.173 0.000 1.087 348 L CA 2.167 56.854 54.840 -0.255 0.000 0.757 348 L CB -0.484 41.325 42.059 -0.417 0.000 0.896 348 L HN 0.415 nan 8.230 nan 0.000 0.434 349 E N -0.833 119.293 120.200 -0.124 0.000 2.046 349 E HA -0.201 4.149 4.350 0.000 0.000 0.190 349 E C 2.337 178.915 176.600 -0.038 0.000 0.982 349 E CA 0.977 57.345 56.400 -0.053 0.000 0.800 349 E CB -0.163 29.538 29.700 0.002 0.000 0.756 349 E HN 0.482 nan 8.360 nan 0.000 0.449 350 R N 0.519 121.002 120.500 -0.029 0.000 2.096 350 R HA -0.134 4.206 4.340 0.000 0.000 0.235 350 R C 2.472 178.749 176.300 -0.039 0.000 1.127 350 R CA 0.763 56.853 56.100 -0.016 0.000 0.968 350 R CB -0.246 30.060 30.300 0.011 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.369 121.552 121.223 -0.066 0.000 1.994 351 L HA -0.128 4.212 4.340 0.000 0.000 0.208 351 L C 2.243 179.082 176.870 -0.052 0.000 1.071 351 L CA 2.160 56.962 54.840 -0.063 0.000 0.745 351 L CB -0.609 41.399 42.059 -0.085 0.000 0.892 351 L HN 0.139 nan 8.230 nan 0.000 0.431 352 A N -0.457 122.323 122.820 -0.068 0.000 1.908 352 A HA -0.175 4.145 4.320 0.000 0.000 0.218 352 A C 2.440 179.991 177.584 -0.054 0.000 1.181 352 A CA 2.058 54.051 52.037 -0.073 0.000 0.627 352 A CB -1.283 17.666 19.000 -0.086 0.000 0.818 352 A HN 0.629 nan 8.150 nan 0.000 0.445 353 A N -0.425 122.371 122.820 -0.040 0.000 1.865 353 A HA -0.168 4.152 4.320 0.000 0.000 0.217 353 A C 2.302 179.870 177.584 -0.026 0.000 1.191 353 A CA 1.966 53.983 52.037 -0.033 0.000 0.623 353 A CB -0.604 18.377 19.000 -0.031 0.000 0.826 353 A HN 0.534 nan 8.150 nan 0.000 0.444 354 M N -1.015 118.573 119.600 -0.020 0.000 2.080 354 M HA -0.125 4.355 4.480 0.000 0.000 0.260 354 M C 2.355 178.652 176.300 -0.005 0.000 1.068 354 M CA 1.707 57.002 55.300 -0.009 0.000 1.109 354 M CB -0.554 32.044 32.600 -0.004 0.000 1.342 354 M HN 0.534 nan 8.290 nan 0.000 0.405 355 L N 0.295 121.513 121.223 -0.009 0.000 2.013 355 L HA -0.284 4.056 4.340 0.000 0.000 0.212 355 L C 2.591 179.460 176.870 -0.002 0.000 1.073 355 L CA 1.413 56.254 54.840 0.001 0.000 0.753 355 L CB -0.181 41.878 42.059 -0.001 0.000 0.890 355 L HN 0.308 nan 8.230 nan 0.000 0.432 356 M N -0.444 119.144 119.600 -0.020 0.000 2.117 356 M HA -0.165 4.315 4.480 0.000 0.000 0.262 356 M C 2.449 178.747 176.300 -0.003 0.000 1.065 356 M CA 1.817 57.106 55.300 -0.018 0.000 1.114 356 M CB -1.619 30.962 32.600 -0.030 0.000 1.361 356 M HN 0.442 nan 8.290 nan 0.000 0.408 357 A N -0.102 122.716 122.820 -0.003 0.000 2.186 357 A HA -0.085 4.235 4.320 0.000 0.000 0.219 357 A C 1.502 179.092 177.584 0.011 0.000 1.159 357 A CA 1.783 53.823 52.037 0.004 0.000 0.680 357 A CB -1.093 17.909 19.000 0.002 0.000 0.787 357 A HN 0.593 nan 8.150 nan 0.000 0.467 358 T N -2.635 111.926 114.554 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 0.023 0.000 1.057 358 T CA -0.224 61.887 62.100 0.018 0.000 1.121 358 T CB -0.137 68.743 68.868 0.019 0.000 1.104 358 T HN 0.518 nan 8.240 nan 0.000 0.571 359 V N 0.399 120.327 119.914 0.023 0.000 3.077 359 V HA 0.563 4.683 4.120 0.000 0.000 0.299 359 V C -1.280 174.832 176.094 0.030 0.000 1.276 359 V CA -1.094 61.224 62.300 0.029 0.000 0.993 359 V CB 2.374 34.216 31.823 0.031 0.000 1.076 359 V HN 0.390 nan 8.190 nan 0.000 0.434 360 K N 5.515 125.936 120.400 0.035 0.000 2.021 360 K HA 0.207 4.527 4.320 0.000 0.000 0.238 360 K C 1.154 177.779 176.600 0.042 0.000 1.149 360 K CA 0.182 56.493 56.287 0.040 0.000 1.105 360 K CB -0.005 32.523 32.500 0.047 0.000 1.246 360 K HN 0.593 nan 8.250 nan 0.000 0.307 361 M N 0.530 120.152 119.600 0.036 0.000 2.086 361 M HA -0.163 4.317 4.480 0.000 0.000 0.261 361 M C 1.431 177.753 176.300 0.036 0.000 1.067 361 M CA 1.613 56.933 55.300 0.033 0.000 1.116 361 M CB -0.541 32.079 32.600 0.032 0.000 1.348 361 M HN 0.614 nan 8.290 nan 0.000 0.407 362 E N 0.137 120.363 120.200 0.043 0.000 2.510 362 E HA -0.170 4.180 4.350 0.000 0.000 0.202 362 E C 0.947 177.580 176.600 0.055 0.000 1.072 362 E CA 0.542 56.970 56.400 0.047 0.000 0.883 362 E CB 0.162 29.894 29.700 0.053 0.000 0.818 362 E HN 0.476 nan 8.360 nan 0.000 0.548 363 E N -0.313 119.925 120.200 0.064 0.000 2.810 363 E HA 0.069 4.419 4.350 0.000 0.000 0.214 363 E C 1.310 177.949 176.600 0.065 0.000 0.980 363 E CA -0.177 56.294 56.400 0.118 0.000 1.159 363 E CB 0.348 30.145 29.700 0.162 0.000 1.047 363 E HN 0.249 nan 8.360 nan 0.000 0.484 364 L N -0.048 121.185 121.223 0.017 0.000 2.083 364 L HA -0.027 4.313 4.340 0.000 0.000 0.209 364 L C 2.081 178.936 176.870 -0.024 0.000 1.083 364 L CA 1.696 56.542 54.840 0.011 0.000 0.752 364 L CB -0.155 41.908 42.059 0.008 0.000 0.899 364 L HN 0.309 nan 8.230 nan 0.000 0.433 365 G N -1.722 107.013 108.800 -0.107 0.000 2.448 365 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 365 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 365 G C 1.167 175.968 174.900 -0.166 0.000 1.127 365 G CA 0.420 45.420 45.100 -0.167 0.000 0.766 365 G HN 0.489 nan 8.290 nan 0.000 0.552 366 H N -0.851 118.229 119.070 0.017 0.000 2.547 366 H HA 0.204 4.760 4.556 0.000 0.000 0.266 366 H C 0.900 176.235 175.328 0.013 0.000 0.988 366 H CA -0.274 55.781 56.048 0.012 0.000 1.147 366 H CB 0.153 29.921 29.762 0.009 0.000 1.365 366 H HN 0.230 nan 8.280 nan 0.000 0.589 367 L N 1.102 122.382 121.223 0.094 0.000 2.567 367 L HA 0.162 4.502 4.340 0.000 0.000 0.238 367 L C 1.177 178.076 176.870 0.049 0.000 1.168 367 L CA -0.330 54.550 54.840 0.068 0.000 0.817 367 L CB 0.833 42.924 42.059 0.054 0.000 1.409 367 L HN 0.149 nan 8.230 nan 0.000 0.502 368 T N -2.460 112.118 114.554 0.040 0.000 2.788 368 T HA 0.175 4.525 4.350 0.000 0.000 0.287 368 T C 1.052 175.769 174.700 0.028 0.000 1.007 368 T CA 0.235 62.353 62.100 0.031 0.000 1.005 368 T CB 0.464 69.346 68.868 0.024 0.000 1.012 368 T HN 0.652 nan 8.240 nan 0.000 0.530 369 T N 0.276 114.844 114.554 0.024 0.000 2.639 369 T HA -0.090 4.260 4.350 0.000 0.000 0.261 369 T C 1.776 176.490 174.700 0.022 0.000 1.053 369 T CA 1.408 63.521 62.100 0.021 0.000 1.158 369 T CB -0.558 68.322 68.868 0.020 0.000 0.863 369 T HN 0.835 nan 8.240 nan 0.000 0.413 370 E N 0.796 121.009 120.200 0.022 0.000 2.097 370 E HA -0.245 4.105 4.350 0.000 0.000 0.196 370 E C 2.062 178.688 176.600 0.043 0.000 1.000 370 E CA 1.153 57.568 56.400 0.024 0.000 0.804 370 E CB 0.022 29.728 29.700 0.009 0.000 0.740 370 E HN 0.196 nan 8.360 nan 0.000 0.454 371 K N 0.336 120.760 120.400 0.041 0.000 2.148 371 K HA -0.137 4.183 4.320 0.000 0.000 0.204 371 K C 2.146 178.804 176.600 0.096 0.000 1.050 371 K CA 0.850 57.182 56.287 0.076 0.000 0.942 371 K CB -0.266 32.266 32.500 0.053 0.000 0.724 371 K HN 0.285 nan 8.250 nan 0.000 0.446 372 Q N 0.967 120.797 119.800 0.050 0.000 2.046 372 Q HA -0.145 4.195 4.340 0.000 0.000 0.200 372 Q C 1.786 177.786 176.000 -0.000 0.000 0.975 372 Q CA 1.444 57.261 55.803 0.023 0.000 0.836 372 Q CB 0.190 28.933 28.738 0.008 0.000 0.896 372 Q HN 0.341 nan 8.270 nan 0.000 0.428 373 E N -0.442 119.758 120.200 0.000 0.000 2.012 373 E HA -0.252 4.098 4.350 0.000 0.000 0.197 373 E C 1.811 178.377 176.600 -0.056 0.000 1.007 373 E CA 1.353 57.722 56.400 -0.052 0.000 0.816 373 E CB -0.439 29.242 29.700 -0.031 0.000 0.762 373 E HN 0.377 nan 8.360 nan 0.000 0.451 374 Y N 1.565 121.807 120.300 -0.096 0.000 2.132 374 Y HA -0.366 4.184 4.550 0.000 0.000 0.280 374 Y C 2.089 177.939 175.900 -0.083 0.000 1.193 374 Y CA 1.662 59.712 58.100 -0.085 0.000 1.157 374 Y CB -0.536 37.899 38.460 -0.041 0.000 0.966 374 Y HN 0.059 nan 8.280 nan 0.000 0.511 375 A N -0.054 122.730 122.820 -0.059 0.000 1.828 375 A HA -0.186 4.134 4.320 0.000 0.000 0.215 375 A C 2.123 179.599 177.584 -0.180 0.000 1.203 375 A CA 1.994 53.957 52.037 -0.123 0.000 0.614 375 A CB -1.323 17.669 19.000 -0.013 0.000 0.844 375 A HN 0.422 nan 8.150 nan 0.000 0.445 376 L N -0.343 120.795 121.223 -0.141 0.000 2.042 376 L HA -0.156 4.184 4.340 0.000 0.000 0.210 376 L C 2.587 179.306 176.870 -0.252 0.000 1.076 376 L CA 1.955 56.702 54.840 -0.155 0.000 0.749 376 L CB -0.836 41.139 42.059 -0.140 0.000 0.893 376 L HN 0.406 nan 8.230 nan 0.000 0.432 377 R N -0.203 120.078 120.500 -0.365 0.000 2.122 377 R HA -0.242 4.098 4.340 0.000 0.000 0.236 377 R C 2.268 178.366 176.300 -0.338 0.000 1.129 377 R CA 2.426 58.196 56.100 -0.550 0.000 0.925 377 R CB -0.669 29.342 30.300 -0.481 0.000 0.850 377 R HN 0.424 nan 8.270 nan 0.000 0.431 378 L N -1.379 119.644 121.223 -0.334 0.000 2.275 378 L HA 0.120 4.460 4.340 0.000 0.000 0.215 378 L C 2.119 178.902 176.870 -0.144 0.000 1.119 378 L CA 1.820 56.510 54.840 -0.250 0.000 0.790 378 L CB -0.474 41.337 42.059 -0.413 0.000 0.919 378 L HN 0.067 nan 8.230 nan 0.000 0.443 379 A N -0.091 122.646 122.820 -0.139 0.000 2.019 379 A HA -0.122 4.198 4.320 0.000 0.000 0.219 379 A C 2.266 179.870 177.584 0.033 0.000 1.164 379 A CA 2.106 54.114 52.037 -0.047 0.000 0.644 379 A CB -1.104 17.869 19.000 -0.044 0.000 0.805 379 A HN 0.559 nan 8.150 nan 0.000 0.449 380 T N -0.590 113.974 114.554 0.017 0.000 2.851 380 T HA -0.048 4.302 4.350 0.000 0.000 0.262 380 T C 1.869 176.627 174.700 0.096 0.000 1.043 380 T CA 1.353 63.497 62.100 0.074 0.000 1.140 380 T CB -0.283 68.674 68.868 0.148 0.000 0.872 380 T HN 0.178 nan 8.240 nan 0.000 0.446 381 V N 1.352 121.313 119.914 0.079 0.000 2.407 381 V HA -0.041 4.079 4.120 0.000 0.000 0.248 381 V C 2.680 178.805 176.094 0.052 0.000 1.055 381 V CA 1.970 64.311 62.300 0.069 0.000 1.049 381 V CB -1.034 30.812 31.823 0.038 0.000 0.662 381 V HN 0.591 nan 8.190 nan 0.000 0.455 382 G N -2.337 106.486 108.800 0.039 0.000 2.986 382 G HA2 -0.131 3.829 3.960 0.000 0.000 0.213 382 G HA3 -0.131 3.829 3.960 0.000 0.000 0.213 382 G C 1.269 176.208 174.900 0.066 0.000 1.156 382 G CA 0.203 45.321 45.100 0.028 0.000 0.763 382 G HN 0.482 nan 8.290 nan 0.000 0.547 383 Y N 2.695 122.984 120.300 -0.019 0.000 2.096 383 Y HA -0.202 4.348 4.550 0.000 0.000 0.278 383 Y C 0.107 176.001 175.900 -0.010 0.000 1.192 383 Y CA 2.347 60.437 58.100 -0.016 0.000 1.143 383 Y CB -0.908 37.543 38.460 -0.015 0.000 0.963 383 Y HN 0.246 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.460 178.764 177.300 0.008 0.000 1.193 384 P CA 1.959 65.134 63.100 0.125 0.000 0.929 384 P CB -0.089 31.691 31.700 0.133 0.000 0.772 385 K N -0.611 119.802 120.400 0.021 0.000 2.228 385 K HA -0.063 4.257 4.320 0.000 0.000 0.205 385 K C 0.807 177.392 176.600 -0.026 0.000 1.045 385 K CA 1.259 57.549 56.287 0.006 0.000 0.931 385 K CB -0.496 32.024 32.500 0.033 0.000 0.727 385 K HN 0.222 nan 8.250 nan 0.000 0.458 386 A N -2.356 120.429 122.820 -0.059 0.000 2.610 386 A HA 0.557 4.877 4.320 0.000 0.000 0.291 386 A C -0.212 177.287 177.584 -0.141 0.000 1.086 386 A CA 0.024 52.015 52.037 -0.077 0.000 0.677 386 A CB 1.469 20.444 19.000 -0.041 0.000 1.278 386 A HN 0.169 nan 8.150 nan 0.000 0.414 387 G N -0.630 108.095 108.800 -0.126 0.000 2.327 387 G HA2 0.069 4.029 3.960 0.000 0.000 0.159 387 G HA3 0.069 4.029 3.960 0.000 0.000 0.159 387 G C 0.333 175.104 174.900 -0.215 0.000 1.056 387 G CA 0.217 45.221 45.100 -0.160 0.000 0.751 387 G HN 1.522 nan 8.290 nan 0.000 0.488 388 V N -1.177 118.658 119.914 -0.132 0.000 3.041 388 V HA 0.123 4.244 4.120 0.000 0.000 0.260 388 V C 1.381 177.371 176.094 -0.173 0.000 1.105 388 V CA 1.614 63.823 62.300 -0.153 0.000 1.125 388 V CB -0.328 31.454 31.823 -0.068 0.000 0.730 388 V HN 0.520 nan 8.190 nan 0.000 0.479 389 Y N -0.635 119.618 120.300 -0.078 0.000 2.768 389 Y HA 0.428 4.978 4.550 0.000 0.000 0.249 389 Y C 0.920 176.794 175.900 -0.043 0.000 1.146 389 Y CA -0.482 57.589 58.100 -0.049 0.000 1.171 389 Y CB 0.921 39.360 38.460 -0.034 0.000 1.249 389 Y HN 0.105 nan 8.280 nan 0.000 0.567 390 S N -0.349 115.381 115.700 0.050 0.000 2.554 390 S HA 0.473 4.943 4.470 0.000 0.000 0.278 390 S C 1.090 175.700 174.600 0.017 0.000 1.242 390 S CA -0.127 58.090 58.200 0.029 0.000 1.051 390 S CB 0.882 64.074 63.200 -0.012 0.000 0.986 390 S HN 0.532 nan 8.310 nan 0.000 0.502 391 G N 4.552 113.372 108.800 0.034 0.000 3.325 391 G HA2 0.171 4.131 3.960 0.000 0.000 0.242 391 G HA3 0.171 4.131 3.960 0.000 0.000 0.242 391 G C 0.842 175.761 174.900 0.031 0.000 1.120 391 G CA -0.172 44.949 45.100 0.035 0.000 1.778 391 G HN 0.758 nan 8.290 nan 0.000 0.610 392 L N -0.194 121.045 121.223 0.027 0.000 2.005 392 L HA -0.081 4.259 4.340 0.000 0.000 0.207 392 L C 2.623 179.530 176.870 0.060 0.000 1.072 392 L CA 0.894 55.762 54.840 0.047 0.000 0.744 392 L CB -0.220 41.885 42.059 0.077 0.000 0.895 392 L HN 0.311 nan 8.230 nan 0.000 0.433 393 I N 0.107 120.717 120.570 0.066 0.000 2.335 393 I HA -0.206 3.964 4.170 0.000 0.000 0.251 393 I C 2.543 178.699 176.117 0.066 0.000 1.129 393 I CA 1.495 62.826 61.300 0.052 0.000 1.402 393 I CB -1.235 36.784 38.000 0.032 0.000 1.069 393 I HN 0.201 nan 8.210 nan 0.000 0.424 394 G N 0.521 109.356 108.800 0.058 0.000 2.421 394 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 394 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 394 G C 1.855 176.794 174.900 0.065 0.000 1.171 394 G CA 0.823 45.961 45.100 0.064 0.000 0.775 394 G HN 0.502 nan 8.290 nan 0.000 0.543 395 G N 1.135 109.966 108.800 0.052 0.000 2.440 395 G HA2 0.011 3.971 3.960 0.000 0.000 0.218 395 G HA3 0.011 3.971 3.960 0.000 0.000 0.218 395 G C 2.061 176.995 174.900 0.057 0.000 1.154 395 G CA 1.571 46.696 45.100 0.041 0.000 0.767 395 G HN 0.690 nan 8.290 nan 0.000 0.552 396 A N 0.107 122.977 122.820 0.083 0.000 1.978 396 A HA -0.007 4.313 4.320 0.000 0.000 0.220 396 A C 2.512 180.251 177.584 0.257 0.000 1.170 396 A CA 2.444 54.569 52.037 0.148 0.000 0.636 396 A CB -0.694 18.374 19.000 0.114 0.000 0.810 396 A HN 0.329 nan 8.150 nan 0.000 0.448 397 T N -0.588 114.095 114.554 0.215 0.000 2.770 397 T HA -0.063 4.287 4.350 0.000 0.000 0.258 397 T C 2.285 177.020 174.700 0.057 0.000 1.039 397 T CA 1.414 63.624 62.100 0.183 0.000 1.143 397 T CB -0.330 68.637 68.868 0.165 0.000 0.866 397 T HN 0.455 nan 8.240 nan 0.000 0.428 398 S N 0.950 116.672 115.700 0.038 0.000 2.365 398 S HA -0.130 4.340 4.470 0.000 0.000 0.225 398 S C 2.247 176.816 174.600 -0.052 0.000 1.039 398 S CA 1.218 59.405 58.200 -0.022 0.000 1.033 398 S CB -0.750 62.430 63.200 -0.033 0.000 0.887 398 S HN 0.318 nan 8.310 nan 0.000 0.447 399 V N 1.842 121.743 119.914 -0.022 0.000 2.332 399 V HA -0.130 3.990 4.120 0.000 0.000 0.248 399 V C 2.075 178.153 176.094 -0.026 0.000 1.055 399 V CA 1.889 64.173 62.300 -0.026 0.000 1.038 399 V CB -0.421 31.400 31.823 -0.004 0.000 0.651 399 V HN 0.470 nan 8.190 nan 0.000 0.450 400 L N -0.199 121.004 121.223 -0.034 0.000 2.027 400 L HA -0.054 4.286 4.340 0.000 0.000 0.206 400 L C 2.222 179.066 176.870 -0.043 0.000 1.074 400 L CA 2.433 57.216 54.840 -0.096 0.000 0.745 400 L CB -1.010 40.847 42.059 -0.337 0.000 0.898 400 L HN 0.388 nan 8.230 nan 0.000 0.433 401 L N -0.543 120.664 121.223 -0.027 0.000 2.021 401 L HA -0.250 4.090 4.340 0.000 0.000 0.215 401 L C 2.533 179.424 176.870 0.036 0.000 1.074 401 L CA 2.277 57.139 54.840 0.037 0.000 0.760 401 L CB -1.049 41.021 42.059 0.017 0.000 0.889 401 L HN 0.385 nan 8.230 nan 0.000 0.433 402 S N -0.344 115.343 115.700 -0.022 0.000 2.359 402 S HA -0.224 4.246 4.470 0.000 0.000 0.224 402 S C 2.097 176.715 174.600 0.030 0.000 1.035 402 S CA 1.266 59.450 58.200 -0.026 0.000 1.018 402 S CB -0.784 62.376 63.200 -0.067 0.000 0.876 402 S HN 0.705 nan 8.310 nan 0.000 0.448 403 A N 0.998 123.848 122.820 0.050 0.000 1.873 403 A HA -0.202 4.118 4.320 0.000 0.000 0.218 403 A C 2.015 179.708 177.584 0.181 0.000 1.193 403 A CA 2.039 54.135 52.037 0.097 0.000 0.629 403 A CB -1.129 17.906 19.000 0.059 0.000 0.826 403 A HN 0.570 nan 8.150 nan 0.000 0.447 404 Y N 1.410 121.715 120.300 0.008 0.000 2.145 404 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 404 Y C 2.128 178.043 175.900 0.026 0.000 1.145 404 Y CA 1.719 59.832 58.100 0.021 0.000 1.148 404 Y CB -1.074 37.386 38.460 -0.000 0.000 0.981 404 Y HN 0.495 nan 8.280 nan 0.000 0.507 405 N N -0.267 118.363 118.700 -0.117 0.000 2.137 405 N HA -0.219 4.521 4.740 0.000 0.000 0.190 405 N C 1.962 177.375 175.510 -0.162 0.000 1.017 405 N CA 0.822 53.729 53.050 -0.239 0.000 0.859 405 N CB -0.254 38.151 38.487 -0.137 0.000 1.002 405 N HN 0.275 nan 8.380 nan 0.000 0.428 406 R N 0.306 120.765 120.500 -0.070 0.000 2.276 406 R HA 0.036 4.377 4.340 0.000 0.000 0.203 406 R C -0.171 175.946 176.300 -0.305 0.000 1.017 406 R CA 0.682 56.699 56.100 -0.139 0.000 1.010 406 R CB 0.176 30.430 30.300 -0.078 0.000 0.900 406 R HN 0.339 nan 8.270 nan 0.000 0.469 407 H N -1.611 117.449 119.070 -0.017 0.000 2.941 407 H HA 0.293 4.849 4.556 0.000 0.000 0.344 407 H C -2.353 173.001 175.328 0.044 0.000 1.235 407 H CA -1.744 54.320 56.048 0.027 0.000 1.149 407 H CB 2.242 32.035 29.762 0.051 0.000 1.885 407 H HN -0.109 nan 8.280 nan 0.000 0.558 408 P HA 0.208 nan 4.420 nan 0.000 0.208 408 P C -0.893 176.569 177.300 0.269 0.000 1.863 408 P CA -0.266 62.947 63.100 0.187 0.000 1.037 408 P CB -0.379 31.412 31.700 0.151 0.000 1.881 409 L N 0.332 121.764 121.223 0.348 0.000 3.601 409 L HA -0.228 4.112 4.340 0.000 0.000 0.469 409 L C -0.283 176.762 176.870 0.291 0.000 1.294 409 L CA 0.737 55.751 54.840 0.291 0.000 0.829 409 L CB -2.652 39.547 42.059 0.235 0.000 1.628 409 L HN 0.328 nan 8.230 nan 0.000 0.868 410 F N -0.294 119.691 119.950 0.059 0.000 2.637 410 F HA 0.357 4.884 4.527 0.000 0.000 0.316 410 F C -1.104 174.640 175.800 -0.094 0.000 1.023 410 F CA -0.655 57.331 58.000 -0.023 0.000 1.071 410 F CB 0.844 39.834 39.000 -0.017 0.000 1.319 410 F HN 0.018 nan 8.300 nan 0.000 0.541 411 Q N 6.206 125.502 119.800 -0.840 0.000 2.230 411 Q HA 0.457 4.797 4.340 0.000 0.000 0.253 411 Q C -2.544 172.750 176.000 -1.177 0.000 0.919 411 Q CA -2.087 53.219 55.803 -0.828 0.000 0.908 411 Q CB 1.563 30.061 28.738 -0.400 0.000 1.245 411 Q HN 0.365 nan 8.270 nan 0.000 0.437 412 P HA -0.060 nan 4.420 nan 0.000 0.261 412 P C 0.847 177.902 177.300 -0.409 0.000 1.173 412 P CA 0.321 63.112 63.100 -0.516 0.000 0.760 412 P CB 0.496 32.041 31.700 -0.258 0.000 0.783 413 L N 2.681 123.733 121.223 -0.286 0.000 2.137 413 L HA -0.207 4.133 4.340 0.000 0.000 0.213 413 L C 0.910 177.472 176.870 -0.513 0.000 1.085 413 L CA 1.574 56.227 54.840 -0.313 0.000 0.760 413 L CB -0.290 41.656 42.059 -0.187 0.000 0.893 413 L HN 0.570 nan 8.230 nan 0.000 0.434 414 H N -1.585 117.460 119.070 -0.041 0.000 2.616 414 H HA 0.197 4.753 4.556 0.000 0.000 0.229 414 H C -0.323 174.989 175.328 -0.026 0.000 1.418 414 H CA -0.140 55.896 56.048 -0.020 0.000 1.248 414 H CB 0.647 30.410 29.762 0.001 0.000 1.822 414 H HN -0.032 nan 8.280 nan 0.000 0.522 415 T N -0.510 114.053 114.554 0.016 0.000 2.918 415 T HA 0.148 4.498 4.350 0.000 0.000 0.283 415 T C 1.516 176.227 174.700 0.019 0.000 1.001 415 T CA -0.260 61.841 62.100 0.003 0.000 1.041 415 T CB 1.763 70.594 68.868 -0.063 0.000 1.028 415 T HN 0.177 nan 8.240 nan 0.000 0.511 416 V N 4.943 124.871 119.914 0.023 0.000 2.490 416 V HA -0.060 4.060 4.120 0.000 0.000 0.250 416 V C 2.183 178.285 176.094 0.013 0.000 1.061 416 V CA 2.479 64.795 62.300 0.026 0.000 1.064 416 V CB -0.688 31.150 31.823 0.026 0.000 0.670 416 V HN 0.992 nan 8.190 nan 0.000 0.461 417 M N -0.541 119.059 119.600 0.001 0.000 2.349 417 M HA -0.080 4.400 4.480 0.000 0.000 0.266 417 M C 2.195 178.480 176.300 -0.024 0.000 1.076 417 M CA 1.800 57.094 55.300 -0.010 0.000 1.126 417 M CB -0.178 32.420 32.600 -0.004 0.000 1.392 417 M HN 0.335 nan 8.290 nan 0.000 0.440 418 R N 0.592 121.078 120.500 -0.024 0.000 2.083 418 R HA -0.250 4.090 4.340 0.000 0.000 0.237 418 R C 1.927 178.204 176.300 -0.038 0.000 1.137 418 R CA 2.276 58.373 56.100 -0.005 0.000 0.951 418 R CB -0.378 29.922 30.300 -0.001 0.000 0.851 418 R HN 0.414 nan 8.270 nan 0.000 0.434 419 E N -0.551 119.649 120.200 0.001 0.000 2.160 419 E HA -0.155 4.195 4.350 0.000 0.000 0.195 419 E C 1.489 178.091 176.600 0.003 0.000 0.991 419 E CA 2.236 58.663 56.400 0.044 0.000 0.810 419 E CB -0.273 29.470 29.700 0.072 0.000 0.742 419 E HN 0.430 nan 8.360 nan 0.000 0.466 420 T N 0.546 115.070 114.554 -0.050 0.000 2.643 420 T HA -0.131 4.219 4.350 0.000 0.000 0.264 420 T C 1.679 176.289 174.700 -0.151 0.000 1.045 420 T CA 1.461 63.509 62.100 -0.086 0.000 1.155 420 T CB -0.386 68.451 68.868 -0.053 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.596 121.715 121.223 -0.174 0.000 2.189 421 L HA -0.041 4.299 4.340 0.000 0.000 0.214 421 L C 2.071 178.609 176.870 -0.554 0.000 1.097 421 L CA 1.357 56.074 54.840 -0.206 0.000 0.764 421 L CB -0.975 41.062 42.059 -0.038 0.000 0.900 421 L HN 0.227 nan 8.230 nan 0.000 0.436 422 F N 0.213 119.491 119.950 -1.118 0.000 2.113 422 F HA -0.158 4.369 4.527 0.000 0.000 0.297 422 F C 2.261 177.849 175.800 -0.354 0.000 1.103 422 F CA 1.317 58.603 58.000 -1.189 0.000 1.248 422 F CB -0.327 38.205 39.000 -0.780 0.000 0.999 422 F HN -0.022 nan 8.300 nan 0.000 0.475 423 I N 0.336 120.665 120.570 -0.403 0.000 2.286 423 I HA -0.210 3.960 4.170 0.000 0.000 0.248 423 I C 2.724 178.715 176.117 -0.210 0.000 1.115 423 I CA 1.414 62.524 61.300 -0.317 0.000 1.392 423 I CB -1.377 36.339 38.000 -0.474 0.000 1.065 423 I HN 0.319 nan 8.210 nan 0.000 0.418 424 G N 0.624 109.314 108.800 -0.184 0.000 2.403 424 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 424 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 424 G C 1.816 176.661 174.900 -0.091 0.000 1.154 424 G CA 0.936 45.989 45.100 -0.077 0.000 0.784 424 G HN 0.495 nan 8.290 nan 0.000 0.538 425 S N 0.524 116.157 115.700 -0.112 0.000 2.380 425 S HA -0.282 4.188 4.470 0.000 0.000 0.229 425 S C 2.094 176.558 174.600 -0.226 0.000 1.043 425 S CA 1.785 59.907 58.200 -0.131 0.000 1.038 425 S CB -0.865 62.383 63.200 0.080 0.000 0.872 425 S HN 0.520 nan 8.310 nan 0.000 0.456 426 H N 0.474 119.454 119.070 -0.149 0.000 2.289 426 H HA -0.033 4.523 4.556 0.000 0.000 0.296 426 H C 2.501 177.702 175.328 -0.210 0.000 1.091 426 H CA 1.704 57.656 56.048 -0.161 0.000 1.274 426 H CB -1.015 28.660 29.762 -0.144 0.000 1.364 426 H HN 0.404 nan 8.280 nan 0.000 0.490 427 V N 1.192 121.061 119.914 -0.076 0.000 2.913 427 V HA -0.135 3.985 4.120 0.000 0.000 0.260 427 V C 2.237 178.195 176.094 -0.226 0.000 1.098 427 V CA 0.877 63.062 62.300 -0.191 0.000 1.121 427 V CB -0.422 31.366 31.823 -0.059 0.000 0.714 427 V HN 0.136 nan 8.190 nan 0.000 0.487 428 V N -0.740 119.029 119.914 -0.242 0.000 2.426 428 V HA -0.076 4.044 4.120 0.000 0.000 0.242 428 V C 2.236 178.188 176.094 -0.236 0.000 1.036 428 V CA 1.549 63.661 62.300 -0.313 0.000 1.044 428 V CB -0.360 31.061 31.823 -0.671 0.000 0.688 428 V HN 0.516 nan 8.190 nan 0.000 0.462 429 L N 0.375 121.479 121.223 -0.198 0.000 1.989 429 L HA -0.167 4.173 4.340 0.000 0.000 0.211 429 L C 2.621 179.420 176.870 -0.117 0.000 1.071 429 L CA 2.072 56.842 54.840 -0.117 0.000 0.749 429 L CB -0.660 41.358 42.059 -0.069 0.000 0.890 429 L HN 0.147 nan 8.230 nan 0.000 0.431 430 R N -0.821 119.567 120.500 -0.188 0.000 2.113 430 R HA -0.277 4.063 4.340 0.000 0.000 0.244 430 R C 2.271 178.473 176.300 -0.163 0.000 1.142 430 R CA 1.956 57.908 56.100 -0.247 0.000 0.953 430 R CB -0.262 29.707 30.300 -0.552 0.000 0.860 430 R HN 0.450 nan 8.270 nan 0.000 0.438 431 E N 0.518 120.625 120.200 -0.154 0.000 2.031 431 E HA -0.179 4.171 4.350 0.000 0.000 0.193 431 E C 1.947 178.545 176.600 -0.003 0.000 0.994 431 E CA 1.409 57.807 56.400 -0.005 0.000 0.800 431 E CB -0.324 29.371 29.700 -0.009 0.000 0.752 431 E HN 0.290 nan 8.360 nan 0.000 0.447 432 L N 0.333 121.544 121.223 -0.020 0.000 2.013 432 L HA -0.227 4.113 4.340 0.000 0.000 0.212 432 L C 2.587 179.540 176.870 0.138 0.000 1.073 432 L CA 1.551 56.432 54.840 0.068 0.000 0.753 432 L CB -0.463 41.622 42.059 0.043 0.000 0.890 432 L HN 0.086 nan 8.230 nan 0.000 0.432 433 R N -0.245 120.285 120.500 0.050 0.000 2.200 433 R HA -0.068 4.272 4.340 0.000 0.000 0.234 433 R C 0.729 177.059 176.300 0.050 0.000 1.127 433 R CA 0.634 56.751 56.100 0.029 0.000 0.989 433 R CB -0.901 29.394 30.300 -0.008 0.000 0.869 433 R HN 0.181 nan 8.270 nan 0.000 0.459 434 L N 1.711 122.994 121.223 0.099 0.000 2.470 434 L HA -0.018 4.322 4.340 0.000 0.000 0.243 434 L C 1.517 178.500 176.870 0.189 0.000 1.227 434 L CA 0.643 55.550 54.840 0.112 0.000 0.824 434 L CB 0.194 42.316 42.059 0.105 0.000 1.175 434 L HN 0.227 nan 8.230 nan 0.000 0.503 435 N N -1.187 117.586 118.700 0.122 0.000 2.177 435 N HA 0.037 4.777 4.740 0.000 0.000 0.218 435 N C -0.752 174.856 175.510 0.165 0.000 1.182 435 N CA -0.007 53.102 53.050 0.100 0.000 0.882 435 N CB 0.432 38.919 38.487 -0.001 0.000 1.052 435 N HN 0.217 nan 8.380 nan 0.000 0.519 436 V N 2.431 122.430 119.914 0.141 0.000 2.320 436 V HA 0.171 4.291 4.120 0.000 0.000 0.265 436 V C 0.576 176.693 176.094 0.037 0.000 1.048 436 V CA -0.625 61.716 62.300 0.068 0.000 0.865 436 V CB 0.200 32.018 31.823 -0.008 0.000 1.043 436 V HN 0.253 nan 8.190 nan 0.000 0.474 437 T N 1.463 116.070 114.554 0.087 0.000 3.826 437 T HA 0.110 4.460 4.350 0.000 0.000 0.239 437 T C 0.411 175.068 174.700 -0.073 0.000 1.007 437 T CA -0.219 61.872 62.100 -0.015 0.000 1.171 437 T CB -1.037 67.894 68.868 0.105 0.000 1.153 437 T HN 0.616 nan 8.240 nan 0.000 0.854 438 T N 3.666 118.138 114.554 -0.136 0.000 2.779 438 T HA 0.360 4.710 4.350 0.000 0.000 0.280 438 T C 0.388 175.023 174.700 -0.108 0.000 0.987 438 T CA -0.887 61.137 62.100 -0.126 0.000 0.966 438 T CB 1.273 70.028 68.868 -0.190 0.000 0.933 438 T HN 0.631 nan 8.240 nan 0.000 0.442 439 Q N 0.598 120.363 119.800 -0.058 0.000 2.494 439 Q HA -0.223 4.117 4.340 0.000 0.000 0.266 439 Q C 1.578 177.556 176.000 -0.036 0.000 1.053 439 Q CA 0.588 56.374 55.803 -0.027 0.000 1.029 439 Q CB -1.975 26.750 28.738 -0.022 0.000 1.423 439 Q HN 1.024 nan 8.270 nan 0.000 0.516 440 G N 1.220 109.987 108.800 -0.055 0.000 2.476 440 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 440 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 440 G C -0.946 173.955 174.900 0.003 0.000 1.164 440 G CA 1.398 46.465 45.100 -0.055 0.000 0.768 440 G HN 0.368 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.215 441 P C 1.545 178.876 177.300 0.052 0.000 1.157 441 P CA 1.374 64.499 63.100 0.043 0.000 0.863 441 P CB -0.071 31.657 31.700 0.047 0.000 0.787 442 N N -0.845 117.884 118.700 0.049 0.000 2.309 442 N HA -0.124 4.616 4.740 0.000 0.000 0.182 442 N C 1.545 177.105 175.510 0.084 0.000 1.018 442 N CA 0.684 53.774 53.050 0.067 0.000 0.876 442 N CB -0.707 37.815 38.487 0.058 0.000 0.972 442 N HN 0.035 nan 8.380 nan 0.000 0.434 443 L N -0.560 120.696 121.223 0.055 0.000 2.127 443 L HA 0.218 4.558 4.340 0.000 0.000 0.203 443 L C 2.096 179.023 176.870 0.095 0.000 1.080 443 L CA 1.097 55.974 54.840 0.061 0.000 0.768 443 L CB -0.535 41.513 42.059 -0.019 0.000 0.924 443 L HN 0.124 nan 8.230 nan 0.000 0.444 444 A N 0.194 123.055 122.820 0.068 0.000 1.948 444 A HA -0.267 4.053 4.320 0.000 0.000 0.220 444 A C 2.189 179.817 177.584 0.073 0.000 1.177 444 A CA 2.076 54.156 52.037 0.072 0.000 0.636 444 A CB -0.995 18.040 19.000 0.058 0.000 0.815 444 A HN 0.539 nan 8.150 nan 0.000 0.449 445 L N -1.554 119.716 121.223 0.078 0.000 2.012 445 L HA -0.181 4.159 4.340 0.000 0.000 0.210 445 L C 2.257 179.178 176.870 0.084 0.000 1.073 445 L CA 2.545 57.422 54.840 0.063 0.000 0.748 445 L CB -1.099 41.015 42.059 0.093 0.000 0.891 445 L HN 0.500 nan 8.230 nan 0.000 0.431 446 Y N 0.207 120.518 120.300 0.018 0.000 2.102 446 Y HA -0.376 4.174 4.550 0.000 0.000 0.280 446 Y C 2.636 178.535 175.900 -0.003 0.000 1.178 446 Y CA 2.387 60.497 58.100 0.017 0.000 1.146 446 Y CB -0.101 38.373 38.460 0.022 0.000 0.968 446 Y HN 0.430 nan 8.280 nan 0.000 0.504 447 Q N -0.629 119.322 119.800 0.251 0.000 2.050 447 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 447 Q C 2.222 178.237 176.000 0.024 0.000 0.980 447 Q CA 1.645 57.535 55.803 0.145 0.000 0.840 447 Q CB -0.493 28.311 28.738 0.111 0.000 0.898 447 Q HN 0.499 nan 8.270 nan 0.000 0.424 448 L N 1.146 122.360 121.223 -0.014 0.000 1.971 448 L HA -0.223 4.117 4.340 0.000 0.000 0.215 448 L C 2.088 178.882 176.870 -0.128 0.000 1.072 448 L CA 1.721 56.506 54.840 -0.092 0.000 0.758 448 L CB -0.685 41.264 42.059 -0.184 0.000 0.889 448 L HN 0.191 nan 8.230 nan 0.000 0.433 449 L N -0.694 120.444 121.223 -0.142 0.000 1.971 449 L HA -0.277 4.063 4.340 0.000 0.000 0.215 449 L C 2.671 179.330 176.870 -0.352 0.000 1.072 449 L CA 1.942 56.608 54.840 -0.291 0.000 0.758 449 L CB -1.222 40.683 42.059 -0.256 0.000 0.889 449 L HN 0.518 nan 8.230 nan 0.000 0.433 450 S N -1.300 114.260 115.700 -0.234 0.000 2.387 450 S HA -0.223 4.247 4.470 0.000 0.000 0.230 450 S C 1.898 176.409 174.600 -0.149 0.000 1.035 450 S CA 1.898 60.000 58.200 -0.164 0.000 1.014 450 S CB -1.068 62.121 63.200 -0.019 0.000 0.836 450 S HN 0.407 nan 8.310 nan 0.000 0.466 451 T N 2.898 117.376 114.554 -0.126 0.000 2.652 451 T HA -0.025 4.325 4.350 0.000 0.000 0.267 451 T C 2.262 176.895 174.700 -0.111 0.000 1.039 451 T CA 1.580 63.611 62.100 -0.116 0.000 1.153 451 T CB -0.917 67.891 68.868 -0.100 0.000 0.863 451 T HN 0.641 nan 8.240 nan 0.000 0.428 452 A N 1.058 123.796 122.820 -0.136 0.000 1.908 452 A HA -0.007 4.313 4.320 0.000 0.000 0.218 452 A C 2.280 179.799 177.584 -0.109 0.000 1.181 452 A CA 1.282 53.258 52.037 -0.102 0.000 0.627 452 A CB -0.924 17.996 19.000 -0.133 0.000 0.818 452 A HN 0.484 nan 8.150 nan 0.000 0.445 453 L N -1.078 120.022 121.223 -0.204 0.000 2.265 453 L HA -0.153 4.187 4.340 0.000 0.000 0.215 453 L C 1.812 178.649 176.870 -0.055 0.000 1.117 453 L CA 0.520 55.286 54.840 -0.123 0.000 0.782 453 L CB -0.339 41.617 42.059 -0.172 0.000 0.914 453 L HN 0.542 nan 8.230 nan 0.000 0.441 454 c N 1.114 119.669 118.600 -0.076 0.000 2.694 454 c HA 0.179 4.749 4.570 0.000 0.000 0.455 454 c C 1.648 175.718 174.090 -0.033 0.000 1.293 454 c CA -0.894 55.400 56.329 -0.059 0.000 1.614 454 c CB -2.317 40.149 42.510 -0.074 0.000 2.015 454 c HN 0.458 nan 8.230 nan 0.000 0.608 455 S N 0.926 116.622 115.700 -0.008 0.000 2.608 455 S HA 0.478 4.948 4.470 0.000 0.000 0.261 455 S C 1.413 175.985 174.600 -0.048 0.000 1.314 455 S CA 0.169 58.366 58.200 -0.006 0.000 0.992 455 S CB 1.126 64.349 63.200 0.038 0.000 0.935 455 S HN 0.796 nan 8.310 nan 0.000 0.564 456 A N 0.541 123.321 122.820 -0.067 0.000 2.024 456 A HA -0.029 4.291 4.320 0.000 0.000 0.220 456 A C 2.016 179.506 177.584 -0.156 0.000 1.164 456 A CA 1.436 53.410 52.037 -0.105 0.000 0.643 456 A CB -0.943 17.991 19.000 -0.109 0.000 0.806 456 A HN 0.835 nan 8.150 nan 0.000 0.451 457 L N -0.322 120.794 121.223 -0.178 0.000 2.072 457 L HA -0.080 4.260 4.340 0.000 0.000 0.205 457 L C 2.335 178.959 176.870 -0.411 0.000 1.079 457 L CA 2.510 57.146 54.840 -0.341 0.000 0.752 457 L CB -0.526 41.306 42.059 -0.378 0.000 0.906 457 L HN 0.552 nan 8.230 nan 0.000 0.436 458 E N 0.203 120.313 120.200 -0.150 0.000 2.001 458 E HA -0.278 4.072 4.350 0.000 0.000 0.195 458 E C 2.247 178.785 176.600 -0.103 0.000 1.002 458 E CA 2.204 58.642 56.400 0.063 0.000 0.819 458 E CB -0.768 28.997 29.700 0.108 0.000 0.769 458 E HN 0.465 nan 8.360 nan 0.000 0.454 459 I N 0.032 120.511 120.570 -0.151 0.000 2.300 459 I HA -0.231 3.939 4.170 0.000 0.000 0.252 459 I C 1.972 177.910 176.117 -0.299 0.000 1.119 459 I CA 1.878 63.018 61.300 -0.268 0.000 1.384 459 I CB -0.478 37.422 38.000 -0.166 0.000 1.062 459 I HN 0.339 nan 8.210 nan 0.000 0.426 460 G N -0.069 108.594 108.800 -0.229 0.000 2.404 460 G HA2 -0.203 3.757 3.960 0.000 0.000 0.214 460 G HA3 -0.203 3.757 3.960 0.000 0.000 0.214 460 G C 1.470 176.245 174.900 -0.209 0.000 1.189 460 G CA 0.338 45.309 45.100 -0.214 0.000 0.789 460 G HN 0.317 nan 8.290 nan 0.000 0.533 461 E N 0.448 120.519 120.200 -0.214 0.000 2.110 461 E HA -0.078 4.272 4.350 0.000 0.000 0.193 461 E C 2.863 179.397 176.600 -0.110 0.000 0.988 461 E CA 0.525 56.843 56.400 -0.137 0.000 0.804 461 E CB -0.541 29.113 29.700 -0.076 0.000 0.745 461 E HN 0.264 nan 8.360 nan 0.000 0.458 462 V N 1.157 120.971 119.914 -0.166 0.000 2.287 462 V HA -0.270 3.850 4.120 0.000 0.000 0.248 462 V C 2.418 178.375 176.094 -0.229 0.000 1.053 462 V CA 1.365 63.531 62.300 -0.223 0.000 1.027 462 V CB -0.452 31.123 31.823 -0.414 0.000 0.646 462 V HN 0.159 nan 8.190 nan 0.000 0.447 463 L N -0.265 120.787 121.223 -0.284 0.000 1.994 463 L HA -0.156 4.184 4.340 0.000 0.000 0.208 463 L C 2.556 179.361 176.870 -0.107 0.000 1.071 463 L CA 2.129 56.849 54.840 -0.201 0.000 0.745 463 L CB -1.083 40.857 42.059 -0.199 0.000 0.892 463 L HN 0.314 nan 8.230 nan 0.000 0.431 464 R N -0.034 120.405 120.500 -0.101 0.000 2.115 464 R HA -0.191 4.149 4.340 0.000 0.000 0.239 464 R C 2.209 178.492 176.300 -0.029 0.000 1.133 464 R CA 2.048 58.112 56.100 -0.059 0.000 0.935 464 R CB -1.327 28.937 30.300 -0.060 0.000 0.853 464 R HN 0.373 nan 8.270 nan 0.000 0.433 465 G N 0.307 109.092 108.800 -0.025 0.000 2.440 465 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 465 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 465 G C 1.533 176.445 174.900 0.020 0.000 1.154 465 G CA 1.029 46.137 45.100 0.014 0.000 0.767 465 G HN 0.321 nan 8.290 nan 0.000 0.552 466 L N 0.609 121.831 121.223 -0.001 0.000 2.012 466 L HA -0.123 4.217 4.340 0.000 0.000 0.210 466 L C 3.448 180.329 176.870 0.018 0.000 1.073 466 L CA 1.231 56.082 54.840 0.018 0.000 0.748 466 L CB -0.441 41.628 42.059 0.016 0.000 0.891 466 L HN 0.324 nan 8.230 nan 0.000 0.431 467 A N -0.129 122.693 122.820 0.003 0.000 1.877 467 A HA -0.160 4.160 4.320 0.000 0.000 0.216 467 A C 2.128 179.718 177.584 0.011 0.000 1.186 467 A CA 1.424 53.464 52.037 0.004 0.000 0.620 467 A CB -0.740 18.256 19.000 -0.008 0.000 0.822 467 A HN 0.391 nan 8.150 nan 0.000 0.443 468 L N -0.839 120.391 121.223 0.013 0.000 2.610 468 L HA 0.106 4.446 4.340 0.000 0.000 0.232 468 L C 1.666 178.554 176.870 0.029 0.000 1.149 468 L CA 0.491 55.343 54.840 0.019 0.000 0.872 468 L CB -0.414 41.658 42.059 0.021 0.000 0.992 468 L HN 0.633 nan 8.230 nan 0.000 0.447 469 G N 0.193 109.013 108.800 0.034 0.000 2.179 469 G HA2 -0.372 3.589 3.960 0.000 0.000 0.257 469 G HA3 -0.372 3.589 3.960 0.000 0.000 0.257 469 G C 0.944 175.878 174.900 0.056 0.000 1.010 469 G CA 0.761 45.887 45.100 0.042 0.000 0.736 469 G HN 0.429 nan 8.290 nan 0.000 0.513 470 T N -3.063 111.537 114.554 0.077 0.000 2.976 470 T HA 0.318 4.668 4.350 0.000 0.000 0.257 470 T C 0.842 175.664 174.700 0.202 0.000 1.051 470 T CA 1.365 63.535 62.100 0.117 0.000 1.141 470 T CB 0.414 69.373 68.868 0.153 0.000 0.881 470 T HN 0.433 nan 8.240 nan 0.000 0.461 471 E N 1.637 121.936 120.200 0.166 0.000 2.175 471 E HA 0.472 4.822 4.350 0.000 0.000 0.278 471 E C 1.086 177.745 176.600 0.098 0.000 0.969 471 E CA -0.210 56.280 56.400 0.150 0.000 0.796 471 E CB 1.850 31.570 29.700 0.033 0.000 1.104 471 E HN 0.233 nan 8.360 nan 0.000 0.395 472 S N 3.058 118.816 115.700 0.096 0.000 2.414 472 S HA 0.123 4.593 4.470 0.000 0.000 0.227 472 S C 1.503 176.148 174.600 0.074 0.000 1.022 472 S CA 0.416 58.655 58.200 0.066 0.000 0.958 472 S CB -0.361 62.864 63.200 0.042 0.000 0.797 472 S HN 1.187 nan 8.310 nan 0.000 0.493 473 G N 0.842 109.695 108.800 0.089 0.000 2.132 473 G HA2 -0.216 3.744 3.960 0.000 0.000 0.228 473 G HA3 -0.216 3.744 3.960 0.000 0.000 0.228 473 G C 0.376 175.393 174.900 0.195 0.000 1.000 473 G CA 0.319 45.516 45.100 0.161 0.000 0.693 473 G HN 0.616 nan 8.290 nan 0.000 0.515 474 L N -0.621 120.655 121.223 0.088 0.000 2.093 474 L HA 0.560 4.900 4.340 0.000 0.000 0.208 474 L C 0.924 177.903 176.870 0.181 0.000 1.085 474 L CA 2.160 57.012 54.840 0.020 0.000 0.755 474 L CB -0.175 41.759 42.059 -0.208 0.000 0.904 474 L HN 0.601 nan 8.230 nan 0.000 0.435 475 F N -1.068 118.881 119.950 -0.000 0.000 2.613 475 F HA 0.599 5.126 4.527 0.000 0.000 0.310 475 F C -0.678 175.063 175.800 -0.098 0.000 1.085 475 F CA -0.327 57.735 58.000 0.104 0.000 0.945 475 F CB 1.553 40.547 39.000 -0.010 0.000 1.298 475 F HN -0.211 nan 8.300 nan 0.000 0.455 476 S N 4.526 119.207 115.700 -1.698 0.000 2.556 476 S HA 0.372 4.842 4.470 0.000 0.000 0.280 476 S C -2.542 171.216 174.600 -1.404 0.000 1.141 476 S CA -0.996 56.346 58.200 -1.431 0.000 0.883 476 S CB 1.901 64.512 63.200 -0.982 0.000 1.103 476 S HN 0.490 nan 8.310 nan 0.000 0.453 477 P HA 0.014 nan 4.420 nan 0.000 0.226 477 P C 1.254 178.397 177.300 -0.261 0.000 1.146 477 P CA 0.785 63.660 63.100 -0.374 0.000 0.773 477 P CB -0.408 31.178 31.700 -0.190 0.000 0.772 478 c N -1.749 116.646 118.600 -0.343 0.000 2.457 478 c HA -0.079 4.491 4.570 0.000 0.000 0.278 478 c C 2.479 176.517 174.090 -0.085 0.000 1.309 478 c CA 0.287 56.505 56.329 -0.186 0.000 1.735 478 c CB -2.148 40.306 42.510 -0.093 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.973 121.182 120.300 -0.152 0.000 2.446 479 Y HA -0.069 4.481 4.550 0.000 0.000 0.287 479 Y C 1.768 177.643 175.900 -0.041 0.000 1.159 479 Y CA 1.031 59.062 58.100 -0.116 0.000 1.297 479 Y CB -0.740 37.656 38.460 -0.107 0.000 0.974 479 Y HN 0.308 nan 8.280 nan 0.000 0.557 480 L N -1.976 119.318 121.223 0.119 0.000 3.039 480 L HA 0.185 4.525 4.340 0.000 0.000 0.269 480 L C 1.024 177.934 176.870 0.066 0.000 1.169 480 L CA -0.004 54.904 54.840 0.112 0.000 0.986 480 L CB -0.133 42.022 42.059 0.161 0.000 1.377 480 L HN -0.089 nan 8.230 nan 0.000 0.575 481 S N 0.179 115.875 115.700 -0.008 0.000 2.589 481 S HA 0.259 4.729 4.470 0.000 0.000 0.265 481 S C 0.588 175.062 174.600 -0.210 0.000 1.342 481 S CA -0.243 57.904 58.200 -0.088 0.000 1.005 481 S CB 0.473 63.596 63.200 -0.128 0.000 0.909 481 S HN 0.221 nan 8.310 nan 0.000 0.555 482 L N 0.797 121.849 121.223 -0.285 0.000 2.912 482 L HA 0.341 4.681 4.340 0.000 0.000 0.240 482 L C 1.039 177.344 176.870 -0.940 0.000 1.262 482 L CA -0.154 54.346 54.840 -0.568 0.000 1.058 482 L CB -0.254 41.737 42.059 -0.114 0.000 1.383 482 L HN 0.573 nan 8.230 nan 0.000 0.512 483 R N 1.007 121.042 120.500 -0.775 0.000 2.369 483 R HA 0.210 4.550 4.340 0.000 0.000 0.310 483 R C -0.524 175.490 176.300 -0.477 0.000 1.141 483 R CA -0.427 55.380 56.100 -0.488 0.000 1.116 483 R CB 0.239 30.411 30.300 -0.213 0.000 1.135 483 R HN 0.096 nan 8.270 nan 0.000 0.529 484 F N 1.263 121.245 119.950 0.053 0.000 2.713 484 F HA 0.136 4.663 4.527 0.000 0.000 0.294 484 F C 1.410 177.236 175.800 0.044 0.000 1.152 484 F CA -0.496 57.534 58.000 0.050 0.000 1.385 484 F CB 0.201 39.235 39.000 0.055 0.000 0.981 484 F HN 0.423 nan 8.300 nan 0.000 0.514 485 D N 0.872 121.341 120.400 0.117 0.000 2.240 485 D HA -0.032 4.608 4.640 0.000 0.000 0.206 485 D C 0.697 177.044 176.300 0.078 0.000 0.963 485 D CA 0.476 54.531 54.000 0.092 0.000 0.863 485 D CB 0.132 40.963 40.800 0.052 0.000 0.973 485 D HN 0.120 nan 8.370 nan 0.000 0.501 486 L N 1.582 122.850 121.223 0.076 0.000 2.500 486 L HA 0.363 4.703 4.340 0.000 0.000 0.272 486 L C 0.594 177.520 176.870 0.093 0.000 1.149 486 L CA -0.233 54.657 54.840 0.084 0.000 0.897 486 L CB -0.316 41.813 42.059 0.116 0.000 1.178 486 L HN 0.020 nan 8.230 nan 0.000 0.473 487 T N -0.436 114.163 114.554 0.075 0.000 2.807 487 T HA 0.530 4.880 4.350 0.000 0.000 0.277 487 T C 1.041 175.779 174.700 0.063 0.000 1.006 487 T CA -0.662 61.478 62.100 0.067 0.000 1.006 487 T CB 1.330 70.231 68.868 0.054 0.000 1.274 487 T HN 0.478 nan 8.240 nan 0.000 0.569 488 R N 0.793 121.324 120.500 0.051 0.000 2.096 488 R HA -0.127 4.213 4.340 0.000 0.000 0.240 488 R C 1.718 178.039 176.300 0.036 0.000 1.139 488 R CA 2.420 58.547 56.100 0.045 0.000 0.952 488 R CB -1.297 29.024 30.300 0.034 0.000 0.854 488 R HN 0.770 nan 8.270 nan 0.000 0.436 489 D N -0.444 119.972 120.400 0.028 0.000 2.110 489 D HA -0.127 4.513 4.640 0.000 0.000 0.202 489 D C 1.681 177.989 176.300 0.014 0.000 0.975 489 D CA 1.138 55.149 54.000 0.017 0.000 0.839 489 D CB -0.235 40.574 40.800 0.014 0.000 0.996 489 D HN 0.082 nan 8.370 nan 0.000 0.464 490 K N 1.525 121.937 120.400 0.021 0.000 2.074 490 K HA -0.125 4.195 4.320 0.000 0.000 0.209 490 K C 2.223 178.830 176.600 0.012 0.000 1.048 490 K CA 0.905 57.201 56.287 0.015 0.000 0.926 490 K CB -0.713 31.803 32.500 0.027 0.000 0.713 490 K HN 0.074 nan 8.250 nan 0.000 0.444 491 L N 0.054 121.297 121.223 0.032 0.000 2.046 491 L HA -0.114 4.226 4.340 0.000 0.000 0.208 491 L C 2.383 179.251 176.870 -0.004 0.000 1.077 491 L CA 1.036 55.895 54.840 0.032 0.000 0.747 491 L CB -0.279 41.834 42.059 0.090 0.000 0.896 491 L HN 0.223 nan 8.230 nan 0.000 0.432 492 L N -1.173 120.051 121.223 0.002 0.000 2.265 492 L HA -0.201 4.139 4.340 0.000 0.000 0.215 492 L C 2.438 179.290 176.870 -0.030 0.000 1.117 492 L CA 0.757 55.589 54.840 -0.013 0.000 0.782 492 L CB -0.052 42.005 42.059 -0.004 0.000 0.914 492 L HN 0.263 nan 8.230 nan 0.000 0.441 493 S N -0.687 114.994 115.700 -0.031 0.000 2.362 493 S HA -0.141 4.329 4.470 0.000 0.000 0.221 493 S C 1.742 176.304 174.600 -0.064 0.000 1.032 493 S CA 1.124 59.296 58.200 -0.046 0.000 0.973 493 S CB -0.114 63.060 63.200 -0.043 0.000 0.849 493 S HN 0.274 nan 8.310 nan 0.000 0.465 494 M N 1.735 121.295 119.600 -0.067 0.000 2.374 494 M HA 0.176 4.656 4.480 0.000 0.000 0.264 494 M C 0.906 177.145 176.300 -0.103 0.000 1.067 494 M CA 0.132 55.377 55.300 -0.091 0.000 1.103 494 M CB -0.739 31.802 32.600 -0.099 0.000 1.402 494 M HN 0.220 nan 8.290 nan 0.000 0.444 495 A N 2.130 124.897 122.820 -0.088 0.000 2.561 495 A HA 0.203 4.523 4.320 0.000 0.000 0.234 495 A C -2.028 175.507 177.584 -0.082 0.000 1.055 495 A CA -0.937 51.047 52.037 -0.087 0.000 0.756 495 A CB -1.013 17.950 19.000 -0.063 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 -1.013 176.252 177.300 -0.058 0.000 1.220 496 P CA 0.109 63.164 63.100 -0.075 0.000 0.768 496 P CB 0.661 32.317 31.700 -0.074 0.000 0.848 497 Q N 3.006 122.772 119.800 -0.056 0.000 2.503 497 Q HA 0.305 4.645 4.340 0.000 0.000 0.227 497 Q C -0.283 175.694 176.000 -0.039 0.000 1.109 497 Q CA 0.194 55.970 55.803 -0.046 0.000 0.922 497 Q CB 0.933 29.643 28.738 -0.048 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.019 120.200 120.200 -0.033 0.000 2.352 498 E HA 0.413 4.763 4.350 0.000 0.000 0.280 498 E C -0.357 176.231 176.600 -0.020 0.000 0.930 498 E CA -0.438 55.947 56.400 -0.026 0.000 0.765 498 E CB 1.570 31.253 29.700 -0.027 0.000 1.219 498 E HN 0.470 nan 8.360 nan 0.000 0.434 499 A N 1.181 123.991 122.820 -0.016 0.000 2.167 499 A HA -0.038 4.282 4.320 0.000 0.000 0.214 499 A C 1.502 179.080 177.584 -0.010 0.000 1.151 499 A CA 0.995 53.025 52.037 -0.012 0.000 0.735 499 A CB -0.315 18.679 19.000 -0.010 0.000 0.802 499 A HN 0.547 nan 8.150 nan 0.000 0.467 500 T N -0.208 114.339 114.554 -0.011 0.000 3.118 500 T HA 0.241 4.591 4.350 0.000 0.000 0.260 500 T C -0.029 174.667 174.700 -0.007 0.000 1.139 500 T CA 0.488 62.583 62.100 -0.008 0.000 1.085 500 T CB -0.300 68.563 68.868 -0.008 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.601 122.818 121.223 -0.010 0.000 2.333 501 L HA 0.422 4.762 4.340 0.000 0.000 0.280 501 L C -0.248 176.616 176.870 -0.008 0.000 1.004 501 L CA -0.968 53.866 54.840 -0.010 0.000 0.820 501 L CB 1.450 43.499 42.059 -0.016 0.000 1.247 501 L HN -0.121 nan 8.230 nan 0.000 0.416 502 D N 2.107 122.504 120.400 -0.004 0.000 2.368 502 D HA -0.029 4.611 4.640 0.000 0.000 0.268 502 D C 1.107 177.404 176.300 -0.004 0.000 1.298 502 D CA 0.327 54.326 54.000 -0.003 0.000 0.938 502 D CB 0.866 41.666 40.800 0.001 0.000 1.101 502 D HN 0.390 nan 8.370 nan 0.000 0.509 503 Q N 3.073 122.869 119.800 -0.006 0.000 2.217 503 Q HA -0.266 4.074 4.340 0.000 0.000 0.209 503 Q C 1.728 177.726 176.000 -0.004 0.000 0.988 503 Q CA 1.634 57.433 55.803 -0.007 0.000 0.878 503 Q CB -0.260 28.474 28.738 -0.007 0.000 0.909 503 Q HN 0.694 nan 8.270 nan 0.000 0.424 504 A N 0.708 123.528 122.820 -0.001 0.000 1.872 504 A HA 0.017 4.337 4.320 0.000 0.000 0.214 504 A C 2.354 179.941 177.584 0.004 0.000 1.187 504 A CA 1.589 53.627 52.037 0.002 0.000 0.614 504 A CB -0.657 18.345 19.000 0.003 0.000 0.826 504 A HN 0.367 nan 8.150 nan 0.000 0.442 505 A N -0.313 122.509 122.820 0.004 0.000 1.908 505 A HA -0.040 4.280 4.320 0.000 0.000 0.218 505 A C 2.212 179.798 177.584 0.005 0.000 1.181 505 A CA 1.897 53.938 52.037 0.006 0.000 0.627 505 A CB -1.022 17.982 19.000 0.006 0.000 0.818 505 A HN 0.417 nan 8.150 nan 0.000 0.445 506 V N -0.417 119.496 119.914 -0.001 0.000 2.287 506 V HA -0.256 3.864 4.120 0.000 0.000 0.248 506 V C 2.777 178.871 176.094 0.001 0.000 1.053 506 V CA 2.362 64.658 62.300 -0.007 0.000 1.027 506 V CB -1.047 30.767 31.823 -0.015 0.000 0.646 506 V HN 0.665 nan 8.190 nan 0.000 0.447 507 S N 0.385 116.087 115.700 0.004 0.000 2.365 507 S HA -0.260 4.210 4.470 0.000 0.000 0.225 507 S C 1.949 176.562 174.600 0.020 0.000 1.039 507 S CA 2.037 60.243 58.200 0.011 0.000 1.033 507 S CB -0.528 62.678 63.200 0.009 0.000 0.887 507 S HN 0.693 nan 8.310 nan 0.000 0.447 508 N N 1.752 120.464 118.700 0.020 0.000 2.104 508 N HA -0.074 4.666 4.740 0.000 0.000 0.190 508 N C 1.961 177.495 175.510 0.040 0.000 1.024 508 N CA 1.373 54.439 53.050 0.027 0.000 0.853 508 N CB -0.890 37.610 38.487 0.022 0.000 1.008 508 N HN 0.530 nan 8.380 nan 0.000 0.424 509 A N 1.231 124.072 122.820 0.035 0.000 1.865 509 A HA -0.104 4.216 4.320 0.000 0.000 0.217 509 A C 2.581 180.211 177.584 0.078 0.000 1.191 509 A CA 1.673 53.738 52.037 0.046 0.000 0.623 509 A CB -0.924 18.082 19.000 0.011 0.000 0.826 509 A HN 0.108 nan 8.150 nan 0.000 0.444 510 V N 0.725 120.672 119.914 0.054 0.000 2.332 510 V HA -0.290 3.830 4.120 0.000 0.000 0.248 510 V C 2.202 178.369 176.094 0.121 0.000 1.055 510 V CA 2.321 64.670 62.300 0.081 0.000 1.038 510 V CB -0.900 30.949 31.823 0.043 0.000 0.651 510 V HN 0.523 nan 8.190 nan 0.000 0.450 511 D N 0.557 121.006 120.400 0.081 0.000 2.097 511 D HA -0.116 4.524 4.640 0.000 0.000 0.195 511 D C 2.224 178.572 176.300 0.080 0.000 0.989 511 D CA 1.782 55.823 54.000 0.069 0.000 0.827 511 D CB -0.386 40.440 40.800 0.042 0.000 0.966 511 D HN 0.491 nan 8.370 nan 0.000 0.456 512 G N 0.591 109.445 108.800 0.091 0.000 2.459 512 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 512 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 512 G C 1.500 176.481 174.900 0.135 0.000 1.183 512 G CA 0.406 45.561 45.100 0.092 0.000 0.776 512 G HN 0.189 nan 8.290 nan 0.000 0.552 513 F N 0.989 120.961 119.950 0.036 0.000 2.069 513 F HA -0.082 4.445 4.527 0.000 0.000 0.298 513 F C 2.412 178.254 175.800 0.069 0.000 1.113 513 F CA 1.537 59.578 58.000 0.068 0.000 1.214 513 F CB -0.562 38.468 39.000 0.050 0.000 0.978 513 F HN 0.111 nan 8.300 nan 0.000 0.474 514 L N 0.463 121.754 121.223 0.113 0.000 2.081 514 L HA -0.085 4.255 4.340 0.000 0.000 0.212 514 L C 2.409 179.245 176.870 -0.056 0.000 1.080 514 L CA 2.208 57.055 54.840 0.012 0.000 0.754 514 L CB -1.470 40.630 42.059 0.068 0.000 0.893 514 L HN 0.235 nan 8.230 nan 0.000 0.433 515 G N -1.050 107.728 108.800 -0.036 0.000 2.434 515 G HA2 -0.318 3.642 3.960 0.000 0.000 0.214 515 G HA3 -0.318 3.642 3.960 0.000 0.000 0.214 515 G C 1.750 176.578 174.900 -0.120 0.000 1.202 515 G CA 0.678 45.743 45.100 -0.058 0.000 0.788 515 G HN 0.412 nan 8.290 nan 0.000 0.539 516 R N -0.146 120.259 120.500 -0.159 0.000 2.193 516 R HA 0.132 4.472 4.340 0.000 0.000 0.229 516 R C 2.403 178.462 176.300 -0.402 0.000 1.110 516 R CA 0.743 56.681 56.100 -0.270 0.000 0.988 516 R CB -0.298 29.836 30.300 -0.277 0.000 0.871 516 R HN 0.420 nan 8.270 nan 0.000 0.458 517 L N 0.250 121.267 121.223 -0.344 0.000 2.109 517 L HA -0.097 4.243 4.340 0.000 0.000 0.207 517 L C 2.056 178.837 176.870 -0.149 0.000 1.086 517 L CA 1.573 56.245 54.840 -0.280 0.000 0.760 517 L CB -0.141 41.736 42.059 -0.303 0.000 0.910 517 L HN 0.336 nan 8.230 nan 0.000 0.437 518 S N -1.315 114.316 115.700 -0.114 0.000 2.522 518 S HA -0.010 4.460 4.470 0.000 0.000 0.227 518 S C 1.636 176.194 174.600 -0.070 0.000 0.986 518 S CA 0.292 58.458 58.200 -0.056 0.000 0.929 518 S CB -0.083 63.096 63.200 -0.036 0.000 0.769 518 S HN 0.432 nan 8.310 nan 0.000 0.529 519 L N -0.045 121.106 121.223 -0.120 0.000 2.362 519 L HA 0.324 4.664 4.340 0.000 0.000 0.204 519 L C 2.764 179.555 176.870 -0.131 0.000 1.060 519 L CA 0.751 55.521 54.840 -0.117 0.000 0.827 519 L CB -0.299 41.681 42.059 -0.132 0.000 1.027 519 L HN 0.251 nan 8.230 nan 0.000 0.474 520 E N 0.808 120.882 120.200 -0.210 0.000 2.107 520 E HA -0.099 4.251 4.350 0.000 0.000 0.191 520 E C 1.057 177.600 176.600 -0.094 0.000 0.982 520 E CA 0.713 56.988 56.400 -0.208 0.000 0.809 520 E CB 0.263 29.683 29.700 -0.466 0.000 0.756 520 E HN 0.099 nan 8.360 nan 0.000 0.459 521 R N 0.310 120.773 120.500 -0.063 0.000 2.474 521 R HA 0.271 4.611 4.340 0.000 0.000 0.295 521 R C -0.187 176.135 176.300 0.035 0.000 0.980 521 R CA -0.378 55.739 56.100 0.027 0.000 0.934 521 R CB 0.913 31.265 30.300 0.086 0.000 1.101 521 R HN 0.008 nan 8.270 nan 0.000 0.469 522 E N 1.190 121.424 120.200 0.056 0.000 2.672 522 E HA 0.150 4.500 4.350 0.000 0.000 0.235 522 E C -0.431 176.211 176.600 0.071 0.000 0.906 522 E CA -0.820 55.603 56.400 0.040 0.000 0.973 522 E CB 0.827 30.532 29.700 0.008 0.000 1.478 522 E HN 0.574 nan 8.360 nan 0.000 0.430 523 D N -0.329 120.103 120.400 0.053 0.000 2.463 523 D HA 0.043 4.683 4.640 0.000 0.000 0.237 523 D C 1.574 177.973 176.300 0.165 0.000 1.013 523 D CA 0.261 54.316 54.000 0.093 0.000 0.910 523 D CB 0.172 41.043 40.800 0.118 0.000 1.080 523 D HN 0.140 nan 8.370 nan 0.000 0.498 524 R N 1.076 121.600 120.500 0.039 0.000 2.159 524 R HA -0.153 4.187 4.340 0.000 0.000 0.237 524 R C 0.722 177.047 176.300 0.041 0.000 1.131 524 R CA 1.220 57.271 56.100 -0.081 0.000 0.982 524 R CB -0.027 30.152 30.300 -0.202 0.000 0.868 524 R HN 0.101 nan 8.270 nan 0.000 0.453 525 D N 0.337 120.778 120.400 0.068 0.000 2.137 525 D HA -0.209 4.431 4.640 0.000 0.000 0.189 525 D C 1.501 177.863 176.300 0.104 0.000 0.998 525 D CA 2.111 56.170 54.000 0.100 0.000 0.839 525 D CB -0.354 40.520 40.800 0.124 0.000 0.962 525 D HN 0.332 nan 8.370 nan 0.000 0.446 526 A N -0.723 122.134 122.820 0.062 0.000 2.239 526 A HA -0.055 4.265 4.320 0.000 0.000 0.209 526 A C 1.405 178.778 177.584 -0.351 0.000 1.171 526 A CA 0.218 52.241 52.037 -0.023 0.000 0.768 526 A CB -1.021 18.042 19.000 0.105 0.000 0.790 526 A HN 0.300 nan 8.150 nan 0.000 0.478 527 W N -1.067 119.885 121.300 -0.580 0.000 2.595 527 W HA -0.031 4.629 4.660 0.000 0.000 0.257 527 W C 1.978 178.315 176.519 -0.302 0.000 1.267 527 W CA 1.072 58.021 57.345 -0.661 0.000 1.300 527 W CB -0.086 29.059 29.460 -0.526 0.000 1.120 527 W HN 0.477 nan 8.180 nan 0.000 0.618 528 H N -0.577 118.520 119.070 0.046 0.000 2.548 528 H HA 0.166 4.722 4.556 0.000 0.000 0.268 528 H C 0.452 175.807 175.328 0.045 0.000 0.975 528 H CA 0.642 56.723 56.048 0.055 0.000 1.195 528 H CB -0.235 29.554 29.762 0.044 0.000 1.397 528 H HN -0.021 nan 8.280 nan 0.000 0.572 529 L N 1.567 122.875 121.223 0.141 0.000 2.349 529 L HA 0.102 4.442 4.340 0.000 0.000 0.275 529 L C -1.049 175.888 176.870 0.111 0.000 1.115 529 L CA -1.631 53.282 54.840 0.122 0.000 0.820 529 L CB 1.019 43.154 42.059 0.127 0.000 1.135 529 L HN -0.065 nan 8.230 nan 0.000 0.445 530 P HA -0.190 nan 4.420 nan 0.000 0.215 530 P C 1.241 178.573 177.300 0.053 0.000 1.157 530 P CA 1.334 64.476 63.100 0.070 0.000 0.868 530 P CB 0.250 31.983 31.700 0.055 0.000 0.788 531 A N -1.943 120.906 122.820 0.049 0.000 2.067 531 A HA -0.201 4.119 4.320 0.000 0.000 0.219 531 A C 2.117 179.699 177.584 -0.004 0.000 1.158 531 A CA 0.919 52.965 52.037 0.014 0.000 0.661 531 A CB -1.793 17.213 19.000 0.009 0.000 0.801 531 A HN 0.130 nan 8.150 nan 0.000 0.452 532 Y N 1.452 121.687 120.300 -0.109 0.000 2.102 532 Y HA -0.317 4.233 4.550 0.000 0.000 0.280 532 Y C 1.957 177.697 175.900 -0.266 0.000 1.178 532 Y CA 2.477 60.450 58.100 -0.212 0.000 1.146 532 Y CB -0.260 38.014 38.460 -0.311 0.000 0.968 532 Y HN 0.364 nan 8.280 nan 0.000 0.504 533 K N -1.124 119.211 120.400 -0.108 0.000 2.520 533 K HA -0.139 4.181 4.320 0.000 0.000 0.197 533 K C 1.362 177.853 176.600 -0.181 0.000 1.043 533 K CA 0.956 57.149 56.287 -0.155 0.000 0.944 533 K CB -0.479 31.992 32.500 -0.048 0.000 0.770 533 K HN 0.325 nan 8.250 nan 0.000 0.480 534 c N 0.595 119.080 118.600 -0.191 0.000 2.855 534 c HA 0.188 4.758 4.570 0.000 0.000 0.279 534 c C 0.418 174.393 174.090 -0.191 0.000 1.270 534 c CA -0.723 55.511 56.329 -0.157 0.000 1.702 534 c CB -0.587 41.857 42.510 -0.110 0.000 1.949 534 c HN 0.017 nan 8.230 nan 0.000 0.618 535 V N 2.013 121.752 119.914 -0.291 0.000 2.328 535 V HA 0.239 4.359 4.120 0.000 0.000 0.278 535 V C 0.225 176.169 176.094 -0.250 0.000 1.021 535 V CA -0.016 62.121 62.300 -0.271 0.000 0.838 535 V CB 1.089 32.708 31.823 -0.341 0.000 0.999 535 V HN 0.242 nan 8.190 nan 0.000 0.447 536 D N 3.100 123.400 120.400 -0.166 0.000 2.087 536 D HA -0.023 4.617 4.640 0.000 0.000 0.203 536 D C 1.189 177.418 176.300 -0.120 0.000 0.976 536 D CA 1.285 55.208 54.000 -0.129 0.000 0.865 536 D CB 0.108 40.851 40.800 -0.095 0.000 1.005 536 D HN 0.405 nan 8.370 nan 0.000 0.449 537 R N 1.948 122.392 120.500 -0.095 0.000 3.268 537 R HA 0.143 4.483 4.340 0.000 0.000 0.217 537 R C 1.301 177.549 176.300 -0.088 0.000 1.568 537 R CA -0.093 55.963 56.100 -0.072 0.000 1.322 537 R CB -0.194 30.081 30.300 -0.042 0.000 1.280 537 R HN 0.322 nan 8.270 nan 0.000 0.667 538 L N -0.650 120.493 121.223 -0.132 0.000 2.362 538 L HA -0.072 4.268 4.340 0.000 0.000 0.219 538 L C 1.425 178.232 176.870 -0.106 0.000 1.134 538 L CA 1.153 55.892 54.840 -0.168 0.000 0.807 538 L CB -0.299 41.592 42.059 -0.279 0.000 0.927 538 L HN 0.290 nan 8.230 nan 0.000 0.447 539 D N 0.730 121.092 120.400 -0.065 0.000 2.269 539 D HA -0.191 4.449 4.640 0.000 0.000 0.208 539 D C 1.007 177.304 176.300 -0.005 0.000 0.963 539 D CA 0.873 54.852 54.000 -0.034 0.000 0.864 539 D CB -0.208 40.581 40.800 -0.018 0.000 0.936 539 D HN 0.530 nan 8.370 nan 0.000 0.505 540 K N 0.982 121.382 120.400 0.001 0.000 2.577 540 K HA 0.234 4.554 4.320 0.000 0.000 0.210 540 K C -0.298 176.332 176.600 0.050 0.000 1.048 540 K CA -0.202 56.103 56.287 0.031 0.000 1.188 540 K CB 1.524 34.046 32.500 0.037 0.000 0.910 540 K HN 0.005 nan 8.250 nan 0.000 0.483 541 V N 2.398 122.339 119.914 0.046 0.000 2.364 541 V HA 0.110 4.230 4.120 0.000 0.000 0.272 541 V C 1.427 177.620 176.094 0.164 0.000 1.036 541 V CA -0.224 62.130 62.300 0.089 0.000 0.880 541 V CB 1.118 32.975 31.823 0.057 0.000 0.991 541 V HN 0.294 nan 8.190 nan 0.000 0.460 542 L N 4.513 125.826 121.223 0.149 0.000 2.049 542 L HA 0.203 4.543 4.340 0.000 0.000 0.203 542 L C 0.762 177.738 176.870 0.177 0.000 1.074 542 L CA 1.365 56.291 54.840 0.144 0.000 0.749 542 L CB -0.073 42.036 42.059 0.083 0.000 0.907 542 L HN 0.735 nan 8.230 nan 0.000 0.439 543 M N -0.155 119.542 119.600 0.163 0.000 2.523 543 M HA 0.440 4.920 4.480 0.000 0.000 0.287 543 M C -1.772 174.616 176.300 0.146 0.000 1.160 543 M CA -0.729 54.642 55.300 0.119 0.000 0.902 543 M CB 2.386 34.992 32.600 0.011 0.000 1.752 543 M HN 0.024 nan 8.290 nan 0.000 0.504 544 I N 1.132 121.797 120.570 0.158 0.000 2.404 544 I HA 0.637 4.807 4.170 0.000 0.000 0.293 544 I C -1.214 174.974 176.117 0.117 0.000 0.992 544 I CA -0.949 60.451 61.300 0.166 0.000 1.149 544 I CB 1.704 39.832 38.000 0.213 0.000 1.315 544 I HN 0.755 nan 8.210 nan 0.000 0.446 545 I N 6.449 127.107 120.570 0.147 0.000 2.388 545 I HA 0.365 4.535 4.170 0.000 0.000 0.281 545 I C -2.432 173.757 176.117 0.120 0.000 1.046 545 I CA -1.887 59.484 61.300 0.118 0.000 1.187 545 I CB 1.140 39.229 38.000 0.147 0.000 1.351 545 I HN 0.297 nan 8.210 nan 0.000 0.472 546 P HA 0.156 nan 4.420 nan 0.000 0.269 546 P C -0.510 176.774 177.300 -0.026 0.000 1.252 546 P CA -0.065 63.051 63.100 0.027 0.000 0.780 546 P CB 0.635 32.346 31.700 0.018 0.000 0.829 547 L N 3.710 124.960 121.223 0.046 0.000 2.492 547 L HA 0.392 4.732 4.340 0.000 0.000 0.263 547 L C 1.752 178.675 176.870 0.088 0.000 1.062 547 L CA -0.542 54.341 54.840 0.072 0.000 0.817 547 L CB 0.111 42.310 42.059 0.234 0.000 1.441 547 L HN 0.261 nan 8.230 nan 0.000 0.493 548 I N 0.100 120.770 120.570 0.165 0.000 2.094 548 I HA -0.200 3.970 4.170 0.000 0.000 0.234 548 I C 1.294 177.482 176.117 0.118 0.000 1.063 548 I CA 1.243 62.637 61.300 0.156 0.000 1.328 548 I CB -0.228 37.896 38.000 0.206 0.000 1.058 548 I HN 0.608 nan 8.210 nan 0.000 0.400 549 N N 0.090 118.868 118.700 0.129 0.000 2.299 549 N HA 0.103 4.843 4.740 0.000 0.000 0.187 549 N C -0.052 175.488 175.510 0.050 0.000 1.099 549 N CA 0.400 53.504 53.050 0.090 0.000 0.867 549 N CB 1.044 39.593 38.487 0.102 0.000 0.974 549 N HN 0.303 nan 8.380 nan 0.000 0.477 550 V N -3.026 116.913 119.914 0.042 0.000 3.112 550 V HA 0.742 4.862 4.120 0.000 0.000 0.310 550 V C -0.944 175.123 176.094 -0.045 0.000 1.364 550 V CA -0.836 61.434 62.300 -0.049 0.000 1.058 550 V CB 1.605 33.330 31.823 -0.163 0.000 1.079 550 V HN 0.064 nan 8.190 nan 0.000 0.463 551 T N -1.259 113.209 114.554 -0.143 0.000 3.143 551 T HA 0.670 5.020 4.350 0.000 0.000 0.312 551 T C -1.161 173.459 174.700 -0.132 0.000 0.986 551 T CA -0.044 62.025 62.100 -0.052 0.000 1.024 551 T CB 0.648 69.517 68.868 0.001 0.000 1.030 551 T HN 0.614 nan 8.240 nan 0.000 0.448 552 F N 2.288 122.269 119.950 0.052 0.000 2.396 552 F HA 0.599 5.126 4.527 0.000 0.000 0.343 552 F C 0.633 176.470 175.800 0.061 0.000 1.104 552 F CA -1.085 56.951 58.000 0.060 0.000 1.161 552 F CB 1.010 40.047 39.000 0.062 0.000 1.146 552 F HN 0.479 nan 8.300 nan 0.000 0.522 553 I N 5.241 125.950 120.570 0.233 0.000 2.437 553 I HA 0.253 4.423 4.170 0.000 0.000 0.279 553 I C -0.968 175.256 176.117 0.178 0.000 1.028 553 I CA -0.574 60.823 61.300 0.163 0.000 1.142 553 I CB 0.989 39.036 38.000 0.079 0.000 1.266 553 I HN 0.317 nan 8.210 nan 0.000 0.461 554 I N 6.274 126.945 120.570 0.167 0.000 2.352 554 I HA 0.286 4.456 4.170 0.000 0.000 0.290 554 I C 0.539 176.733 176.117 0.129 0.000 1.036 554 I CA 0.635 62.020 61.300 0.141 0.000 1.336 554 I CB 1.028 39.086 38.000 0.097 0.000 1.407 554 I HN 0.622 nan 8.210 nan 0.000 0.497 555 S N 2.477 118.264 115.700 0.145 0.000 2.656 555 S HA 0.487 4.957 4.470 0.000 0.000 0.273 555 S C 0.065 174.772 174.600 0.179 0.000 1.168 555 S CA -0.284 57.999 58.200 0.138 0.000 0.817 555 S CB 1.379 64.651 63.200 0.119 0.000 1.146 555 S HN 0.474 nan 8.310 nan 0.000 0.475 556 S N -0.119 115.672 115.700 0.151 0.000 2.583 556 S HA 0.320 4.790 4.470 0.000 0.000 0.239 556 S C -0.349 174.435 174.600 0.306 0.000 0.966 556 S CA -0.311 57.980 58.200 0.151 0.000 0.973 556 S CB -0.973 62.262 63.200 0.059 0.000 0.794 556 S HN 0.853 nan 8.310 nan 0.000 0.463 557 D N 0.681 121.300 120.400 0.365 0.000 2.934 557 D HA 0.164 4.804 4.640 0.000 0.000 0.230 557 D C 0.076 176.329 176.300 -0.079 0.000 1.204 557 D CA -0.846 53.268 54.000 0.190 0.000 0.873 557 D CB 1.261 42.095 40.800 0.056 0.000 1.645 557 D HN 0.302 nan 8.370 nan 0.000 0.502 558 R N 0.691 120.912 120.500 -0.464 0.000 2.555 558 R HA 0.169 4.509 4.340 0.000 0.000 0.272 558 R C -0.008 176.095 176.300 -0.329 0.000 1.089 558 R CA -0.310 55.358 56.100 -0.721 0.000 1.126 558 R CB 0.065 29.760 30.300 -1.009 0.000 1.250 558 R HN 0.232 nan 8.270 nan 0.000 0.551 559 E N 0.879 120.961 120.200 -0.196 0.000 2.318 559 E HA 0.031 4.381 4.350 0.000 0.000 0.193 559 E C 0.488 177.013 176.600 -0.124 0.000 0.998 559 E CA 0.213 56.531 56.400 -0.136 0.000 0.859 559 E CB 0.247 29.889 29.700 -0.097 0.000 0.812 559 E HN 0.132 nan 8.360 nan 0.000 0.492 560 V N 3.573 123.415 119.914 -0.120 0.000 2.617 560 V HA -0.120 4.000 4.120 0.000 0.000 0.304 560 V C 1.098 177.129 176.094 -0.105 0.000 1.040 560 V CA 0.533 62.770 62.300 -0.104 0.000 1.149 560 V CB -0.062 31.717 31.823 -0.074 0.000 0.914 560 V HN 0.244 nan 8.190 nan 0.000 0.487 561 R N 3.645 124.086 120.500 -0.098 0.000 4.306 561 R HA 0.442 4.782 4.340 0.000 0.000 0.266 561 R C 0.701 176.953 176.300 -0.079 0.000 1.624 561 R CA 0.025 56.072 56.100 -0.088 0.000 1.487 561 R CB 0.024 30.276 30.300 -0.080 0.000 1.441 561 R HN 0.691 nan 8.270 nan 0.000 0.750 562 G N 0.443 109.196 108.800 -0.079 0.000 3.152 562 G HA2 -0.010 3.950 3.960 0.000 0.000 0.157 562 G HA3 -0.010 3.950 3.960 0.000 0.000 0.157 562 G C 0.435 175.292 174.900 -0.072 0.000 1.786 562 G CA -0.269 44.785 45.100 -0.076 0.000 1.055 562 G HN 0.314 nan 8.290 nan 0.000 0.528 563 S N -0.679 114.977 115.700 -0.073 0.000 2.539 563 S HA 0.612 5.082 4.470 0.000 0.000 0.226 563 S C 0.526 175.083 174.600 -0.072 0.000 1.054 563 S CA 0.489 58.650 58.200 -0.064 0.000 0.910 563 S CB 0.673 63.838 63.200 -0.058 0.000 0.818 563 S HN 0.999 nan 8.310 nan 0.000 0.490 564 A N 0.680 123.452 122.820 -0.080 0.000 2.602 564 A HA 0.781 5.101 4.320 0.000 0.000 0.290 564 A C -2.238 175.265 177.584 -0.134 0.000 1.114 564 A CA -0.566 51.391 52.037 -0.133 0.000 0.683 564 A CB 1.018 19.908 19.000 -0.183 0.000 1.281 564 A HN 0.181 nan 8.150 nan 0.000 0.416 565 L N 0.555 121.654 121.223 -0.206 0.000 2.356 565 L HA 0.775 5.115 4.340 0.000 0.000 0.277 565 L C -1.822 174.955 176.870 -0.154 0.000 0.996 565 L CA -0.248 54.514 54.840 -0.130 0.000 0.822 565 L CB 1.198 43.162 42.059 -0.159 0.000 1.256 565 L HN 0.634 nan 8.230 nan 0.000 0.413 566 Y N 2.706 123.093 120.300 0.145 0.000 2.468 566 Y HA 0.653 5.203 4.550 0.000 0.000 0.342 566 Y C -0.274 175.767 175.900 0.236 0.000 1.021 566 Y CA -0.620 57.575 58.100 0.159 0.000 1.079 566 Y CB 1.963 40.506 38.460 0.138 0.000 1.226 566 Y HN 0.599 nan 8.280 nan 0.000 0.460 567 E N 1.646 122.055 120.200 0.347 0.000 2.278 567 E HA 0.719 5.069 4.350 0.000 0.000 0.272 567 E C -1.447 175.175 176.600 0.036 0.000 0.890 567 E CA -0.821 55.672 56.400 0.155 0.000 0.770 567 E CB 1.315 31.118 29.700 0.172 0.000 1.212 567 E HN 0.783 nan 8.360 nan 0.000 0.415 568 A N 2.230 124.988 122.820 -0.104 0.000 2.346 568 A HA 0.234 4.554 4.320 0.000 0.000 0.252 568 A C 1.058 178.604 177.584 -0.063 0.000 1.089 568 A CA 0.371 52.335 52.037 -0.123 0.000 0.797 568 A CB 0.471 19.223 19.000 -0.413 0.000 1.047 568 A HN 0.805 nan 8.150 nan 0.000 0.494 569 S N -0.091 115.612 115.700 0.004 0.000 2.453 569 S HA -0.026 4.444 4.470 0.000 0.000 0.231 569 S C 1.055 175.699 174.600 0.074 0.000 1.005 569 S CA 1.035 59.253 58.200 0.031 0.000 0.949 569 S CB -0.627 62.588 63.200 0.025 0.000 0.774 569 S HN 0.922 nan 8.310 nan 0.000 0.510 570 T N 2.847 117.476 114.554 0.124 0.000 2.901 570 T HA 0.325 4.675 4.350 0.000 0.000 0.301 570 T C 0.847 175.590 174.700 0.072 0.000 1.012 570 T CA 0.582 62.802 62.100 0.201 0.000 1.135 570 T CB 0.662 69.718 68.868 0.314 0.000 0.936 570 T HN 0.477 nan 8.240 nan 0.000 0.539 571 T N 2.094 116.700 114.554 0.086 0.000 3.144 571 T HA 0.183 4.533 4.350 0.000 0.000 0.290 571 T C 1.189 175.874 174.700 -0.024 0.000 0.966 571 T CA -0.366 61.722 62.100 -0.020 0.000 0.907 571 T CB -0.453 68.374 68.868 -0.067 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.532 572 Y N 1.958 122.259 120.300 0.002 0.000 2.207 572 Y HA 0.130 4.680 4.550 0.000 0.000 0.287 572 Y C 1.125 177.017 175.900 -0.014 0.000 1.156 572 Y CA 0.479 58.581 58.100 0.003 0.000 1.182 572 Y CB -0.521 37.949 38.460 0.018 0.000 0.979 572 Y HN 0.217 nan 8.280 nan 0.000 0.521 573 L N -0.848 120.454 121.223 0.130 0.000 2.473 573 L HA -0.053 4.287 4.340 0.000 0.000 0.265 573 L C 1.680 178.559 176.870 0.015 0.000 1.243 573 L CA 0.547 55.419 54.840 0.053 0.000 0.822 573 L CB -0.010 42.056 42.059 0.011 0.000 1.101 573 L HN -0.081 nan 8.230 nan 0.000 0.507 574 S N -1.006 114.699 115.700 0.008 0.000 2.351 574 S HA -0.121 4.349 4.470 0.000 0.000 0.220 574 S C 0.919 175.512 174.600 -0.013 0.000 1.035 574 S CA 1.527 59.727 58.200 0.000 0.000 1.031 574 S CB -0.177 63.027 63.200 0.006 0.000 0.928 574 S HN 0.676 nan 8.310 nan 0.000 0.433 575 S N 0.225 115.913 115.700 -0.021 0.000 2.667 575 S HA 0.568 5.038 4.470 0.000 0.000 0.292 575 S C 0.212 174.751 174.600 -0.102 0.000 1.108 575 S CA -0.817 57.361 58.200 -0.036 0.000 0.992 575 S CB 1.154 64.350 63.200 -0.006 0.000 1.269 575 S HN 0.304 nan 8.310 nan 0.000 0.528 576 S N 0.543 116.129 115.700 -0.189 0.000 2.713 576 S HA 0.574 5.044 4.470 0.000 0.000 0.283 576 S C -1.034 173.264 174.600 -0.504 0.000 1.161 576 S CA -0.518 57.429 58.200 -0.422 0.000 0.999 576 S CB 0.812 63.566 63.200 -0.745 0.000 1.039 576 S HN 0.408 nan 8.310 nan 0.000 0.548 577 L N 2.600 123.481 121.223 -0.569 0.000 2.301 577 L HA 0.542 4.882 4.340 0.000 0.000 0.278 577 L C -1.685 174.934 176.870 -0.419 0.000 1.022 577 L CA -0.108 54.484 54.840 -0.413 0.000 0.854 577 L CB -0.549 41.274 42.059 -0.394 0.000 1.226 577 L HN 0.400 nan 8.230 nan 0.000 0.429 578 F N 4.527 124.466 119.950 -0.017 0.000 2.440 578 F HA 0.603 5.130 4.527 0.000 0.000 0.328 578 F C -0.126 175.712 175.800 0.063 0.000 1.070 578 F CA -0.703 57.313 58.000 0.027 0.000 1.011 578 F CB 1.368 40.383 39.000 0.025 0.000 1.226 578 F HN 0.140 nan 8.300 nan 0.000 0.491 579 L N 1.819 123.263 121.223 0.368 0.000 2.427 579 L HA 0.346 4.686 4.340 0.000 0.000 0.264 579 L C -0.753 176.329 176.870 0.354 0.000 0.989 579 L CA -0.136 54.903 54.840 0.332 0.000 0.865 579 L CB 1.432 43.678 42.059 0.313 0.000 1.209 579 L HN 0.464 nan 8.230 nan 0.000 0.430 580 S N 4.784 120.633 115.700 0.249 0.000 2.420 580 S HA 0.475 4.945 4.470 0.000 0.000 0.313 580 S C -2.478 172.164 174.600 0.070 0.000 1.079 580 S CA -1.045 57.233 58.200 0.131 0.000 1.104 580 S CB 1.040 64.264 63.200 0.040 0.000 0.969 580 S HN 0.286 nan 8.310 nan 0.000 0.471 581 P HA 0.321 nan 4.420 nan 0.000 0.301 581 P C -0.995 176.155 177.300 -0.249 0.000 1.338 581 P CA -0.597 62.276 63.100 -0.378 0.000 0.834 581 P CB 1.321 32.686 31.700 -0.557 0.000 0.967 582 V N 6.397 126.165 119.914 -0.243 0.000 2.304 582 V HA 0.191 4.311 4.120 0.000 0.000 0.262 582 V C 1.087 177.098 176.094 -0.139 0.000 1.061 582 V CA -0.677 61.537 62.300 -0.143 0.000 0.872 582 V CB 0.513 32.279 31.823 -0.095 0.000 1.077 582 V HN 0.564 nan 8.190 nan 0.000 0.480 583 I N 5.795 126.298 120.570 -0.112 0.000 2.648 583 I HA 0.126 4.296 4.170 0.000 0.000 0.284 583 I C 1.008 177.102 176.117 -0.039 0.000 1.153 583 I CA -0.080 61.175 61.300 -0.075 0.000 1.426 583 I CB 0.526 38.497 38.000 -0.048 0.000 1.381 583 I HN 0.782 nan 8.210 nan 0.000 0.571 584 M N 6.049 125.638 119.600 -0.019 0.000 2.576 584 M HA -0.331 4.149 4.480 0.000 0.000 0.200 584 M C 0.592 176.891 176.300 -0.002 0.000 0.487 584 M CA 1.060 56.360 55.300 0.001 0.000 0.553 584 M CB -2.141 30.462 32.600 0.005 0.000 2.042 584 M HN 0.882 nan 8.290 nan 0.000 0.758 585 N N -0.736 117.956 118.700 -0.013 0.000 2.644 585 N HA -0.260 4.480 4.740 0.000 0.000 0.248 585 N C -0.380 175.126 175.510 -0.007 0.000 1.150 585 N CA 1.506 54.552 53.050 -0.008 0.000 0.727 585 N CB -0.648 37.847 38.487 0.014 0.000 1.091 585 N HN 0.814 nan 8.380 nan 0.000 0.556 586 K N -0.355 120.036 120.400 -0.015 0.000 2.426 586 K HA 0.602 4.922 4.320 0.000 0.000 0.254 586 K C -0.249 176.335 176.600 -0.028 0.000 0.936 586 K CA -0.984 55.294 56.287 -0.014 0.000 0.801 586 K CB 1.297 33.794 32.500 -0.006 0.000 1.139 586 K HN 0.144 nan 8.250 nan 0.000 0.424 587 c N 0.750 119.330 118.600 -0.033 0.000 2.365 587 c HA 0.739 5.309 4.570 0.000 0.000 0.349 587 c C 0.630 174.698 174.090 -0.038 0.000 1.191 587 c CA -0.829 55.474 56.329 -0.043 0.000 2.114 587 c CB 0.626 43.103 42.510 -0.056 0.000 2.367 587 c HN 0.911 nan 8.230 nan 0.000 0.530 588 S N 1.646 117.321 115.700 -0.042 0.000 2.672 588 S HA 0.441 4.911 4.470 0.000 0.000 0.276 588 S C -0.394 174.181 174.600 -0.042 0.000 1.207 588 S CA -0.603 57.574 58.200 -0.038 0.000 1.002 588 S CB 0.543 63.720 63.200 -0.038 0.000 0.998 588 S HN 0.931 nan 8.310 nan 0.000 0.542 589 Q N 0.705 120.483 119.800 -0.036 0.000 2.286 589 Q HA 0.506 4.846 4.340 0.000 0.000 0.267 589 Q C 0.524 176.498 176.000 -0.043 0.000 1.028 589 Q CA -0.300 55.481 55.803 -0.037 0.000 0.901 589 Q CB -0.153 28.568 28.738 -0.029 0.000 1.183 589 Q HN 1.452 nan 8.270 nan 0.000 0.392 590 G N 1.098 109.868 108.800 -0.050 0.000 2.705 590 G HA2 0.084 4.044 3.960 0.000 0.000 0.686 590 G HA3 0.084 4.044 3.960 0.000 0.000 0.686 590 G C -0.456 174.403 174.900 -0.067 0.000 1.285 590 G CA -0.546 44.520 45.100 -0.056 0.000 0.800 590 G HN 1.060 nan 8.290 nan 0.000 0.611 591 A N 0.724 123.497 122.820 -0.078 0.000 2.280 591 A HA 0.828 5.148 4.320 0.000 0.000 0.268 591 A C 1.196 178.724 177.584 -0.094 0.000 1.111 591 A CA 0.330 52.309 52.037 -0.097 0.000 0.814 591 A CB 0.354 19.283 19.000 -0.119 0.000 1.093 591 A HN 2.079 nan 8.150 nan 0.000 0.498 592 V N 0.072 119.919 119.914 -0.111 0.000 3.287 592 V HA 0.360 4.480 4.120 0.000 0.000 0.306 592 V C 1.333 177.371 176.094 -0.094 0.000 1.103 592 V CA -0.023 62.215 62.300 -0.103 0.000 1.159 592 V CB 0.043 31.792 31.823 -0.123 0.000 1.036 592 V HN 1.173 nan 8.190 nan 0.000 0.487 593 A N 2.204 124.977 122.820 -0.078 0.000 2.364 593 A HA 0.533 4.853 4.320 0.000 0.000 0.258 593 A C 1.030 178.575 177.584 -0.066 0.000 1.131 593 A CA 0.282 52.281 52.037 -0.063 0.000 0.800 593 A CB -0.586 18.384 19.000 -0.051 0.000 1.086 593 A HN 1.328 nan 8.150 nan 0.000 0.508 594 G N -1.759 107.011 108.800 -0.050 0.000 2.664 594 G HA2 0.426 4.386 3.960 0.000 0.000 0.242 594 G HA3 0.426 4.386 3.960 0.000 0.000 0.242 594 G C -0.058 174.821 174.900 -0.035 0.000 1.225 594 G CA 0.851 45.926 45.100 -0.042 0.000 0.849 594 G HN 1.354 nan 8.290 nan 0.000 0.581 595 E N -0.586 119.602 120.200 -0.020 0.000 6.993 595 E HA -0.126 4.224 4.350 0.000 0.000 0.276 595 E C -2.333 174.261 176.600 -0.011 0.000 1.113 595 E CA 0.141 56.539 56.400 -0.002 0.000 1.400 595 E CB -0.682 29.015 29.700 -0.004 0.000 0.936 595 E HN 0.397 nan 8.360 nan 0.000 0.285 596 P HA 0.188 nan 4.420 nan 0.000 0.274 596 P C -0.530 176.769 177.300 -0.001 0.000 1.237 596 P CA -0.398 62.712 63.100 0.016 0.000 0.793 596 P CB 0.565 32.356 31.700 0.151 0.000 0.977 597 R N 1.776 122.227 120.500 -0.082 0.000 2.340 597 R HA 0.129 4.469 4.340 0.000 0.000 0.300 597 R C -0.044 176.302 176.300 0.077 0.000 1.069 597 R CA -0.178 55.868 56.100 -0.090 0.000 0.984 597 R CB 0.337 30.434 30.300 -0.338 0.000 1.003 597 R HN 0.504 nan 8.270 nan 0.000 0.459 598 Q N 3.879 123.751 119.800 0.120 0.000 2.293 598 Q HA 0.206 4.546 4.340 0.000 0.000 0.251 598 Q C -0.180 175.961 176.000 0.235 0.000 0.930 598 Q CA -0.324 55.577 55.803 0.162 0.000 0.893 598 Q CB 1.482 30.274 28.738 0.091 0.000 1.215 598 Q HN 0.537 nan 8.270 nan 0.000 0.425 599 I N 5.050 125.739 120.570 0.199 0.000 2.494 599 I HA 0.070 4.240 4.170 0.000 0.000 0.289 599 I C -1.672 174.478 176.117 0.056 0.000 1.106 599 I CA -1.580 59.783 61.300 0.105 0.000 1.369 599 I CB -0.046 37.963 38.000 0.016 0.000 1.410 599 I HN 0.341 nan 8.210 nan 0.000 0.523 600 P HA 0.142 nan 4.420 nan 0.000 0.275 600 P C -1.051 176.244 177.300 -0.007 0.000 1.227 600 P CA -0.411 62.704 63.100 0.026 0.000 0.781 600 P CB 0.765 32.487 31.700 0.037 0.000 0.906 601 K N 2.977 123.364 120.400 -0.022 0.000 2.172 601 K HA 0.567 4.887 4.320 0.000 0.000 0.276 601 K C 0.022 176.578 176.600 -0.073 0.000 1.013 601 K CA -0.619 55.643 56.287 -0.042 0.000 0.913 601 K CB 1.122 33.598 32.500 -0.041 0.000 1.055 601 K HN 0.460 nan 8.250 nan 0.000 0.461 602 I N 1.966 122.476 120.570 -0.100 0.000 2.608 602 I HA 0.148 4.318 4.170 0.000 0.000 0.295 602 I C 0.300 176.286 176.117 -0.217 0.000 1.049 602 I CA -0.486 60.712 61.300 -0.171 0.000 1.063 602 I CB 2.145 40.021 38.000 -0.207 0.000 1.248 602 I HN 0.618 nan 8.210 nan 0.000 0.424 603 Q N 2.526 122.179 119.800 -0.245 0.000 2.103 603 Q HA 0.199 4.539 4.340 0.000 0.000 0.219 603 Q C 0.960 176.821 176.000 -0.233 0.000 0.784 603 Q CA -0.239 55.415 55.803 -0.247 0.000 1.014 603 Q CB 0.771 29.387 28.738 -0.203 0.000 1.183 603 Q HN 0.581 nan 8.270 nan 0.000 0.469 604 N N 0.967 119.472 118.700 -0.325 0.000 2.022 604 N HA -0.079 4.661 4.740 0.000 0.000 0.194 604 N C 0.213 175.610 175.510 -0.188 0.000 1.057 604 N CA 1.049 53.910 53.050 -0.315 0.000 0.849 604 N CB -0.185 38.017 38.487 -0.474 0.000 1.044 604 N HN 0.073 nan 8.380 nan 0.000 0.424 605 F N 1.501 121.459 119.950 0.013 0.000 2.623 605 F HA -0.061 4.466 4.527 0.000 0.000 0.381 605 F C 1.441 177.241 175.800 0.001 0.000 1.081 605 F CA -0.195 57.833 58.000 0.046 0.000 1.293 605 F CB -0.614 38.494 39.000 0.179 0.000 1.006 605 F HN -0.030 nan 8.300 nan 0.000 0.578 606 T N 1.029 115.704 114.554 0.202 0.000 2.929 606 T HA 0.482 4.832 4.350 0.000 0.000 0.284 606 T C 1.175 175.928 174.700 0.088 0.000 1.014 606 T CA -1.066 61.091 62.100 0.095 0.000 1.051 606 T CB 1.740 70.642 68.868 0.057 0.000 1.028 606 T HN 0.545 nan 8.240 nan 0.000 0.485 607 R N 0.891 121.428 120.500 0.062 0.000 2.109 607 R HA -0.032 4.308 4.340 0.000 0.000 0.227 607 R C 0.738 177.063 176.300 0.041 0.000 1.132 607 R CA 1.231 57.367 56.100 0.061 0.000 0.907 607 R CB -1.388 28.948 30.300 0.059 0.000 0.825 607 R HN 0.671 nan 8.270 nan 0.000 0.432 608 T N 2.711 117.279 114.554 0.024 0.000 2.871 608 T HA 0.020 4.370 4.350 0.000 0.000 0.296 608 T C 0.120 174.809 174.700 -0.018 0.000 0.998 608 T CA 0.389 62.491 62.100 0.003 0.000 1.162 608 T CB 0.615 69.483 68.868 0.001 0.000 0.947 608 T HN 0.094 nan 8.240 nan 0.000 0.536 609 Q N 2.045 121.818 119.800 -0.045 0.000 2.323 609 Q HA 0.313 4.653 4.340 0.000 0.000 0.271 609 Q C 0.668 176.614 176.000 -0.090 0.000 1.048 609 Q CA -0.663 55.087 55.803 -0.089 0.000 0.792 609 Q CB 2.496 31.138 28.738 -0.160 0.000 1.280 609 Q HN 0.656 nan 8.270 nan 0.000 0.441 610 K N 1.120 121.468 120.400 -0.086 0.000 1.975 610 K HA -0.009 4.311 4.320 0.000 0.000 0.210 610 K C 0.819 177.361 176.600 -0.098 0.000 1.041 610 K CA 1.214 57.455 56.287 -0.077 0.000 0.942 610 K CB 0.126 32.589 32.500 -0.062 0.000 0.729 610 K HN 0.695 nan 8.250 nan 0.000 0.439 611 S N -0.605 115.024 115.700 -0.119 0.000 2.694 611 S HA 0.115 4.585 4.470 0.000 0.000 0.278 611 S C 0.060 174.543 174.600 -0.196 0.000 1.152 611 S CA -0.997 57.121 58.200 -0.137 0.000 1.010 611 S CB 1.367 64.492 63.200 -0.124 0.000 1.104 611 S HN 0.380 nan 8.310 nan 0.000 0.547 612 C N 2.068 121.246 119.300 -0.203 0.000 2.262 612 C HA 0.441 4.901 4.460 0.000 0.000 0.413 612 C C 1.629 176.408 174.990 -0.352 0.000 1.019 612 C CA -0.869 57.995 59.018 -0.258 0.000 1.320 612 C CB -2.910 24.703 27.740 -0.212 0.000 1.657 612 C HN 0.760 nan 8.230 nan 0.000 0.510 613 I N 2.722 122.991 120.570 -0.502 0.000 2.072 613 I HA -0.071 4.099 4.170 0.000 0.000 0.235 613 I C 0.757 176.497 176.117 -0.627 0.000 1.058 613 I CA 1.511 62.435 61.300 -0.627 0.000 1.320 613 I CB -0.462 36.916 38.000 -1.036 0.000 1.047 613 I HN 0.415 nan 8.210 nan 0.000 0.397 614 F N 0.834 120.598 119.950 -0.311 0.000 2.659 614 F HA 0.167 4.694 4.527 0.000 0.000 0.360 614 F C 1.154 176.692 175.800 -0.435 0.000 1.218 614 F CA -0.719 57.091 58.000 -0.316 0.000 1.317 614 F CB -1.062 37.953 39.000 0.024 0.000 1.697 614 F HN 0.108 nan 8.300 nan 0.000 0.637 615 C N 0.689 119.644 119.300 -0.575 0.000 3.529 615 C HA 0.182 4.642 4.460 0.000 0.000 0.288 615 C C 2.828 177.611 174.990 -0.345 0.000 1.353 615 C CA 1.215 59.994 59.018 -0.398 0.000 1.705 615 C CB -0.783 26.748 27.740 -0.348 0.000 2.156 615 C HN 0.826 nan 8.230 nan 0.000 0.555 616 G N 0.139 108.751 108.800 -0.313 0.000 2.990 616 G HA2 0.132 4.092 3.960 0.000 0.000 0.206 616 G HA3 0.132 4.092 3.960 0.000 0.000 0.206 616 G C 0.306 175.477 174.900 0.453 0.000 1.169 616 G CA 0.239 45.376 45.100 0.062 0.000 0.819 616 G HN 0.298 nan 8.290 nan 0.000 0.517 617 F N 0.216 120.277 119.950 0.186 0.000 2.377 617 F HA 0.801 5.328 4.527 0.000 0.000 0.335 617 F C 0.520 176.482 175.800 0.271 0.000 1.099 617 F CA -2.304 55.834 58.000 0.229 0.000 1.072 617 F CB 0.967 40.073 39.000 0.176 0.000 1.417 617 F HN 0.061 nan 8.300 nan 0.000 0.495 618 A N 0.440 123.509 122.820 0.414 0.000 2.515 618 A HA 0.756 5.076 4.320 0.000 0.000 0.298 618 A C -1.613 176.058 177.584 0.144 0.000 1.059 618 A CA -0.637 51.582 52.037 0.304 0.000 0.698 618 A CB 1.403 20.577 19.000 0.290 0.000 1.289 618 A HN 0.643 nan 8.150 nan 0.000 0.404 619 L N 1.256 122.569 121.223 0.149 0.000 2.325 619 L HA 0.678 5.018 4.340 0.000 0.000 0.278 619 L C -1.170 175.788 176.870 0.146 0.000 1.023 619 L CA -0.891 54.038 54.840 0.149 0.000 0.811 619 L CB 1.779 43.963 42.059 0.207 0.000 1.249 619 L HN 0.629 nan 8.230 nan 0.000 0.431 620 L N 3.024 124.323 121.223 0.126 0.000 2.446 620 L HA 0.401 4.741 4.340 0.000 0.000 0.268 620 L C -0.311 176.614 176.870 0.091 0.000 0.975 620 L CA -0.058 54.840 54.840 0.096 0.000 0.848 620 L CB 1.829 43.915 42.059 0.044 0.000 1.225 620 L HN 0.608 nan 8.230 nan 0.000 0.410 621 S N 3.631 119.333 115.700 0.003 0.000 2.489 621 S HA 0.792 5.262 4.470 0.000 0.000 0.291 621 S C -0.752 173.770 174.600 -0.131 0.000 1.151 621 S CA -0.515 57.542 58.200 -0.238 0.000 1.082 621 S CB 1.189 64.070 63.200 -0.532 0.000 1.019 621 S HN 0.552 nan 8.310 nan 0.000 0.492 622 Y N -0.587 119.592 120.300 -0.201 0.000 2.512 622 Y HA 0.742 5.292 4.550 0.000 0.000 0.348 622 Y C -0.858 174.946 175.900 -0.161 0.000 0.990 622 Y CA -1.373 56.646 58.100 -0.135 0.000 1.033 622 Y CB 0.822 39.247 38.460 -0.058 0.000 1.259 622 Y HN 0.628 nan 8.280 nan 0.000 0.461 623 D N 1.964 122.351 120.400 -0.022 0.000 2.210 623 D HA 0.166 4.806 4.640 0.000 0.000 0.249 623 D C 0.778 177.100 176.300 0.037 0.000 1.062 623 D CA -0.184 53.742 54.000 -0.122 0.000 0.891 623 D CB 1.463 42.175 40.800 -0.146 0.000 1.186 623 D HN 0.825 nan 8.370 nan 0.000 0.432 624 E N 1.801 121.966 120.200 -0.060 0.000 2.058 624 E HA -0.218 4.132 4.350 0.000 0.000 0.194 624 E C 1.252 177.770 176.600 -0.136 0.000 0.997 624 E CA 1.347 57.755 56.400 0.014 0.000 0.801 624 E CB 0.284 29.924 29.700 -0.100 0.000 0.746 624 E HN 0.427 nan 8.360 nan 0.000 0.450 625 K N 0.180 120.377 120.400 -0.338 0.000 2.005 625 K HA -0.034 4.286 4.320 0.000 0.000 0.206 625 K C 1.015 177.563 176.600 -0.088 0.000 1.044 625 K CA 0.715 56.830 56.287 -0.287 0.000 0.942 625 K CB 0.014 32.276 32.500 -0.396 0.000 0.727 625 K HN -0.046 nan 8.250 nan 0.000 0.439 626 E N -0.381 119.759 120.200 -0.101 0.000 2.622 626 E HA 0.157 4.508 4.350 0.000 0.000 0.255 626 E C 0.629 177.226 176.600 -0.005 0.000 1.313 626 E CA -0.010 56.360 56.400 -0.049 0.000 1.011 626 E CB 0.343 30.000 29.700 -0.071 0.000 1.173 626 E HN 0.241 nan 8.360 nan 0.000 0.601 627 G N -0.309 108.490 108.800 -0.001 0.000 2.711 627 G HA2 0.154 4.114 3.960 0.000 0.000 0.186 627 G HA3 0.154 4.114 3.960 0.000 0.000 0.186 627 G C -0.462 174.459 174.900 0.035 0.000 1.635 627 G CA -0.493 44.616 45.100 0.014 0.000 1.065 627 G HN 0.313 nan 8.290 nan 0.000 0.545 628 L N 0.735 121.975 121.223 0.029 0.000 2.305 628 L HA 0.273 4.613 4.340 0.000 0.000 0.281 628 L C 1.191 178.063 176.870 0.003 0.000 1.085 628 L CA -0.680 54.187 54.840 0.044 0.000 0.813 628 L CB 1.407 43.487 42.059 0.035 0.000 1.157 628 L HN 0.477 nan 8.230 nan 0.000 0.436 629 E N 1.841 122.028 120.200 -0.021 0.000 2.025 629 E HA 0.046 4.396 4.350 0.000 0.000 0.198 629 E C 0.534 177.104 176.600 -0.049 0.000 0.955 629 E CA 0.934 57.292 56.400 -0.069 0.000 0.862 629 E CB 0.120 29.735 29.700 -0.143 0.000 0.837 629 E HN 0.723 nan 8.360 nan 0.000 0.488 630 T N -1.681 112.846 114.554 -0.045 0.000 2.907 630 T HA 0.526 4.876 4.350 0.000 0.000 0.292 630 T C -0.323 174.420 174.700 0.072 0.000 1.043 630 T CA -0.767 61.342 62.100 0.015 0.000 1.003 630 T CB 2.273 71.167 68.868 0.043 0.000 1.084 630 T HN 0.029 nan 8.240 nan 0.000 0.483 631 T N 1.115 115.723 114.554 0.091 0.000 2.863 631 T HA 0.704 5.054 4.350 0.000 0.000 0.285 631 T C -1.102 173.687 174.700 0.148 0.000 1.009 631 T CA -0.326 61.842 62.100 0.113 0.000 0.989 631 T CB 1.458 70.364 68.868 0.064 0.000 1.004 631 T HN 0.891 nan 8.240 nan 0.000 0.455 632 T N 3.695 118.356 114.554 0.179 0.000 2.916 632 T HA 0.402 4.752 4.350 0.000 0.000 0.298 632 T C -1.773 173.101 174.700 0.290 0.000 1.031 632 T CA -0.472 61.754 62.100 0.210 0.000 0.993 632 T CB 1.100 69.997 68.868 0.047 0.000 1.045 632 T HN 0.604 nan 8.240 nan 0.000 0.454 633 Y N 3.428 123.877 120.300 0.249 0.000 2.402 633 Y HA 0.530 5.080 4.550 0.000 0.000 0.332 633 Y C -0.142 175.875 175.900 0.193 0.000 0.960 633 Y CA -1.191 57.045 58.100 0.227 0.000 1.228 633 Y CB 0.383 38.986 38.460 0.238 0.000 1.120 633 Y HN 0.596 nan 8.280 nan 0.000 0.491 634 I N 7.383 127.840 120.570 -0.188 0.000 2.455 634 I HA -0.060 4.110 4.170 0.000 0.000 0.303 634 I C 1.451 177.266 176.117 -0.503 0.000 1.180 634 I CA 0.282 61.410 61.300 -0.286 0.000 1.469 634 I CB 0.145 38.060 38.000 -0.141 0.000 1.480 634 I HN 0.793 nan 8.210 nan 0.000 0.669 635 T N 1.651 115.920 114.554 -0.475 0.000 2.622 635 T HA -0.126 4.224 4.350 0.000 0.000 0.266 635 T C 0.935 175.473 174.700 -0.270 0.000 1.047 635 T CA 1.300 63.170 62.100 -0.383 0.000 1.159 635 T CB -0.130 68.620 68.868 -0.196 0.000 0.863 635 T HN 0.618 nan 8.240 nan 0.000 0.422 636 S N -0.628 114.935 115.700 -0.228 0.000 2.806 636 S HA 0.540 5.010 4.470 0.000 0.000 0.306 636 S C 0.751 175.252 174.600 -0.165 0.000 1.167 636 S CA -0.452 57.646 58.200 -0.170 0.000 0.847 636 S CB 1.829 64.958 63.200 -0.119 0.000 1.216 636 S HN 0.219 nan 8.310 nan 0.000 0.532 637 Q N 1.481 121.199 119.800 -0.137 0.000 2.029 637 Q HA -0.234 4.106 4.340 0.000 0.000 0.209 637 Q C 1.938 177.868 176.000 -0.118 0.000 0.999 637 Q CA 2.939 58.666 55.803 -0.127 0.000 0.857 637 Q CB -0.895 27.779 28.738 -0.106 0.000 0.926 637 Q HN 0.904 nan 8.270 nan 0.000 0.415 638 E N -1.048 119.087 120.200 -0.109 0.000 2.114 638 E HA -0.237 4.113 4.350 0.000 0.000 0.199 638 E C 1.831 178.356 176.600 -0.125 0.000 1.008 638 E CA 1.939 58.277 56.400 -0.104 0.000 0.810 638 E CB -0.609 29.033 29.700 -0.097 0.000 0.739 638 E HN 0.285 nan 8.360 nan 0.000 0.456 639 V N 1.392 121.208 119.914 -0.164 0.000 2.307 639 V HA -0.305 3.815 4.120 0.000 0.000 0.245 639 V C 2.766 178.768 176.094 -0.153 0.000 1.045 639 V CA 2.239 64.418 62.300 -0.202 0.000 1.024 639 V CB -0.956 30.688 31.823 -0.298 0.000 0.651 639 V HN 0.340 nan 8.190 nan 0.000 0.449 640 Q N 0.311 120.035 119.800 -0.126 0.000 2.135 640 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 640 Q C 2.151 178.131 176.000 -0.034 0.000 0.981 640 Q CA 2.025 57.790 55.803 -0.063 0.000 0.856 640 Q CB -0.145 28.548 28.738 -0.075 0.000 0.902 640 Q HN 0.696 nan 8.270 nan 0.000 0.425 641 N N 0.272 118.938 118.700 -0.057 0.000 2.142 641 N HA -0.110 4.630 4.740 0.000 0.000 0.186 641 N C 1.661 177.157 175.510 -0.025 0.000 1.023 641 N CA 1.528 54.557 53.050 -0.035 0.000 0.852 641 N CB -0.210 38.248 38.487 -0.049 0.000 0.998 641 N HN 0.308 nan 8.380 nan 0.000 0.424 642 S N -0.023 115.645 115.700 -0.054 0.000 2.803 642 S HA 0.140 4.610 4.470 0.000 0.000 0.226 642 S C 1.514 176.087 174.600 -0.044 0.000 0.962 642 S CA 0.201 58.370 58.200 -0.051 0.000 0.968 642 S CB -0.385 62.765 63.200 -0.083 0.000 0.786 642 S HN 0.259 nan 8.310 nan 0.000 0.527 643 I N -0.848 119.707 120.570 -0.026 0.000 4.228 643 I HA 0.185 4.355 4.170 0.000 0.000 0.298 643 I C 1.606 177.819 176.117 0.161 0.000 1.206 643 I CA 0.130 61.413 61.300 -0.029 0.000 1.322 643 I CB 0.077 37.975 38.000 -0.171 0.000 1.411 643 I HN 0.200 nan 8.210 nan 0.000 0.454 644 L N 0.863 122.196 121.223 0.182 0.000 2.313 644 L HA -0.024 4.316 4.340 0.000 0.000 0.214 644 L C 2.565 179.524 176.870 0.148 0.000 1.119 644 L CA 1.158 56.139 54.840 0.235 0.000 0.809 644 L CB -0.473 41.688 42.059 0.170 0.000 0.933 644 L HN 0.314 nan 8.230 nan 0.000 0.449 645 S N -0.913 114.843 115.700 0.092 0.000 2.387 645 S HA -0.011 4.459 4.470 0.000 0.000 0.221 645 S C 1.355 175.993 174.600 0.063 0.000 1.041 645 S CA 0.214 58.450 58.200 0.059 0.000 0.959 645 S CB -0.458 62.759 63.200 0.028 0.000 0.843 645 S HN 0.427 nan 8.310 nan 0.000 0.488 646 S N 2.336 118.076 115.700 0.067 0.000 2.617 646 S HA 0.261 4.731 4.470 0.000 0.000 0.255 646 S C 0.279 174.927 174.600 0.081 0.000 1.318 646 S CA -0.620 57.618 58.200 0.063 0.000 0.978 646 S CB -0.191 63.046 63.200 0.062 0.000 0.961 646 S HN 0.413 nan 8.310 nan 0.000 0.582 647 N N 0.384 119.114 118.700 0.050 0.000 2.597 647 N HA 0.089 4.829 4.740 0.000 0.000 0.269 647 N C 0.209 175.707 175.510 -0.020 0.000 1.204 647 N CA -0.006 53.050 53.050 0.010 0.000 0.947 647 N CB -0.399 38.076 38.487 -0.020 0.000 1.258 647 N HN 0.705 nan 8.380 nan 0.000 0.508 648 Y N 0.518 120.743 120.300 -0.126 0.000 2.274 648 Y HA -0.057 4.493 4.550 0.000 0.000 0.290 648 Y C -0.031 175.577 175.900 -0.487 0.000 1.145 648 Y CA 1.144 59.082 58.100 -0.271 0.000 1.203 648 Y CB -0.007 38.242 38.460 -0.351 0.000 0.984 648 Y HN -0.090 nan 8.280 nan 0.000 0.533 649 F N 0.415 120.128 119.950 -0.394 0.000 2.399 649 F HA 0.352 4.879 4.527 0.000 0.000 0.328 649 F C -0.093 175.213 175.800 -0.824 0.000 1.084 649 F CA -0.751 56.657 58.000 -0.986 0.000 1.053 649 F CB 1.146 39.481 39.000 -1.108 0.000 1.209 649 F HN -0.183 nan 8.300 nan 0.000 0.502 650 D N 1.605 121.598 120.400 -0.679 0.000 2.934 650 D HA 0.153 4.793 4.640 0.000 0.000 0.249 650 D C -0.041 176.155 176.300 -0.174 0.000 1.293 650 D CA -0.234 53.560 54.000 -0.343 0.000 0.812 650 D CB -0.302 40.430 40.800 -0.114 0.000 1.439 650 D HN 0.177 nan 8.370 nan 0.000 0.555 651 F N 0.094 120.085 119.950 0.067 0.000 2.451 651 F HA 0.072 4.599 4.527 0.000 0.000 0.299 651 F C 1.667 177.489 175.800 0.036 0.000 1.101 651 F CA 0.315 58.361 58.000 0.076 0.000 1.436 651 F CB -0.146 38.869 39.000 0.024 0.000 1.074 651 F HN 0.197 nan 8.300 nan 0.000 0.553 652 D N 0.702 121.171 120.400 0.114 0.000 2.663 652 D HA -0.022 4.618 4.640 0.000 0.000 0.243 652 D C 0.047 176.350 176.300 0.005 0.000 1.218 652 D CA 0.369 54.402 54.000 0.055 0.000 0.846 652 D CB -0.493 40.323 40.800 0.027 0.000 1.014 652 D HN 0.166 nan 8.370 nan 0.000 0.476 653 N N 1.461 120.164 118.700 0.005 0.000 2.594 653 N HA 0.007 4.747 4.740 0.000 0.000 0.280 653 N C 0.845 176.284 175.510 -0.119 0.000 1.156 653 N CA -0.432 52.579 53.050 -0.065 0.000 0.831 653 N CB 1.008 39.461 38.487 -0.056 0.000 1.379 653 N HN -0.140 nan 8.380 nan 0.000 0.536 654 L N 2.351 123.461 121.223 -0.188 0.000 2.191 654 L HA -0.118 4.222 4.340 0.000 0.000 0.212 654 L C 1.744 178.409 176.870 -0.342 0.000 1.103 654 L CA 1.317 56.025 54.840 -0.219 0.000 0.769 654 L CB -0.879 41.049 42.059 -0.219 0.000 0.908 654 L HN 0.599 nan 8.230 nan 0.000 0.438 655 H N -0.791 118.118 119.070 -0.269 0.000 2.389 655 H HA 0.064 4.620 4.556 0.000 0.000 0.299 655 H C 0.597 175.612 175.328 -0.521 0.000 1.081 655 H CA 0.361 56.201 56.048 -0.346 0.000 1.345 655 H CB -0.061 29.544 29.762 -0.262 0.000 1.393 655 H HN 0.047 nan 8.280 nan 0.000 0.520 656 V N 2.355 122.030 119.914 -0.398 0.000 2.539 656 V HA 0.176 4.296 4.120 0.000 0.000 0.292 656 V C 0.149 175.786 176.094 -0.762 0.000 1.045 656 V CA -0.557 61.398 62.300 -0.575 0.000 0.945 656 V CB 1.885 33.439 31.823 -0.448 0.000 0.993 656 V HN 0.342 nan 8.190 nan 0.000 0.464 657 H N 2.570 121.200 119.070 -0.733 0.000 2.747 657 H HA 0.550 5.106 4.556 0.000 0.000 0.371 657 H C -1.565 173.345 175.328 -0.697 0.000 1.161 657 H CA -0.614 55.074 56.048 -0.600 0.000 1.167 657 H CB 1.917 31.191 29.762 -0.814 0.000 1.732 657 H HN 0.571 nan 8.280 nan 0.000 0.544 658 Y N 1.320 121.672 120.300 0.086 0.000 2.326 658 Y HA 0.285 4.835 4.550 0.000 0.000 0.331 658 Y C -0.457 175.537 175.900 0.156 0.000 0.962 658 Y CA -0.729 57.459 58.100 0.147 0.000 1.167 658 Y CB 1.271 39.958 38.460 0.378 0.000 1.148 658 Y HN 0.249 nan 8.280 nan 0.000 0.463 659 L N 3.896 125.253 121.223 0.224 0.000 2.334 659 L HA 0.578 4.918 4.340 0.000 0.000 0.272 659 L C -1.065 175.841 176.870 0.060 0.000 1.020 659 L CA -0.875 54.036 54.840 0.119 0.000 0.812 659 L CB 1.664 43.768 42.059 0.075 0.000 1.264 659 L HN 0.525 nan 8.230 nan 0.000 0.439 660 L N 3.079 124.273 121.223 -0.048 0.000 2.372 660 L HA 0.551 4.891 4.340 0.000 0.000 0.274 660 L C -1.383 175.339 176.870 -0.246 0.000 0.988 660 L CA -0.152 54.620 54.840 -0.112 0.000 0.833 660 L CB 1.189 43.165 42.059 -0.138 0.000 1.236 660 L HN 0.359 nan 8.230 nan 0.000 0.410 661 L N 4.811 125.845 121.223 -0.316 0.000 2.272 661 L HA 0.581 4.921 4.340 0.000 0.000 0.289 661 L C 0.668 177.368 176.870 -0.282 0.000 1.032 661 L CA -0.512 53.981 54.840 -0.577 0.000 0.810 661 L CB 1.408 42.755 42.059 -1.186 0.000 1.205 661 L HN 0.718 nan 8.230 nan 0.000 0.422 662 T N -2.509 111.866 114.554 -0.298 0.000 2.884 662 T HA 0.184 4.534 4.350 0.000 0.000 0.277 662 T C 1.330 176.047 174.700 0.027 0.000 0.976 662 T CA 0.003 61.680 62.100 -0.705 0.000 0.956 662 T CB 1.311 69.561 68.868 -1.031 0.000 1.113 662 T HN 0.688 nan 8.240 nan 0.000 0.554 663 T N -0.862 113.790 114.554 0.164 0.000 2.929 663 T HA -0.025 4.325 4.350 0.000 0.000 0.271 663 T C 0.685 175.493 174.700 0.181 0.000 1.085 663 T CA 0.356 62.648 62.100 0.320 0.000 1.125 663 T CB -0.671 68.439 68.868 0.403 0.000 0.874 663 T HN 0.607 nan 8.240 nan 0.000 0.494 664 N N 1.329 120.102 118.700 0.121 0.000 2.489 664 N HA 0.407 5.147 4.740 0.000 0.000 0.284 664 N C 0.955 176.546 175.510 0.135 0.000 1.158 664 N CA -0.247 52.862 53.050 0.099 0.000 0.965 664 N CB 0.922 39.461 38.487 0.087 0.000 1.195 664 N HN 0.290 nan 8.380 nan 0.000 0.506 665 G N -0.205 108.644 108.800 0.082 0.000 3.229 665 G HA2 -0.058 3.902 3.960 0.000 0.000 0.214 665 G HA3 -0.058 3.902 3.960 0.000 0.000 0.214 665 G C 0.442 175.557 174.900 0.357 0.000 1.256 665 G CA 0.196 45.357 45.100 0.101 0.000 1.042 665 G HN 0.644 nan 8.290 nan 0.000 0.497 666 T N -2.511 112.232 114.554 0.314 0.000 2.907 666 T HA 0.658 5.008 4.350 0.000 0.000 0.284 666 T C -0.532 174.198 174.700 0.050 0.000 1.004 666 T CA -0.782 61.479 62.100 0.268 0.000 1.063 666 T CB 2.576 71.529 68.868 0.143 0.000 0.992 666 T HN -0.041 nan 8.240 nan 0.000 0.483 667 V N 3.945 123.670 119.914 -0.315 0.000 2.876 667 V HA 0.750 4.870 4.120 0.000 0.000 0.312 667 V C -0.216 175.655 176.094 -0.372 0.000 1.085 667 V CA -1.040 60.939 62.300 -0.535 0.000 0.945 667 V CB 1.774 33.007 31.823 -0.983 0.000 1.017 667 V HN 1.160 nan 8.190 nan 0.000 0.428 668 M N 1.252 120.723 119.600 -0.215 0.000 2.465 668 M HA 0.690 5.170 4.480 0.000 0.000 0.284 668 M C -1.065 175.215 176.300 -0.033 0.000 1.212 668 M CA -0.617 54.628 55.300 -0.092 0.000 0.910 668 M CB 2.486 35.074 32.600 -0.019 0.000 1.725 668 M HN 0.618 nan 8.290 nan 0.000 0.477 669 E N 1.909 122.107 120.200 -0.002 0.000 2.277 669 E HA 0.698 5.048 4.350 0.000 0.000 0.274 669 E C -1.613 175.019 176.600 0.054 0.000 1.022 669 E CA -0.660 55.771 56.400 0.051 0.000 0.853 669 E CB 1.543 31.259 29.700 0.027 0.000 1.086 669 E HN 0.696 nan 8.360 nan 0.000 0.397 670 I N 1.982 122.630 120.570 0.130 0.000 2.562 670 I HA 0.541 4.711 4.170 0.000 0.000 0.301 670 I C -0.339 175.708 176.117 -0.117 0.000 1.003 670 I CA -0.652 60.664 61.300 0.027 0.000 1.127 670 I CB 1.984 40.038 38.000 0.090 0.000 1.304 670 I HN 0.631 nan 8.210 nan 0.000 0.446 671 A N 4.110 126.597 122.820 -0.555 0.000 3.192 671 A HA 0.654 4.974 4.320 0.000 0.000 0.225 671 A C -0.328 176.617 177.584 -1.066 0.000 1.208 671 A CA -0.001 51.413 52.037 -1.038 0.000 1.176 671 A CB -0.057 18.736 19.000 -0.345 0.000 1.318 671 A HN 0.941 nan 8.150 nan 0.000 0.804 672 G N 0.000 108.053 108.800 -1.244 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 44.751 45.100 -0.581 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925