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 3aeu_1_A DATA FIRST_RESID 7 DATA SEQUENCE TFGCTDSPVR RERGQKAVFC GLTSIVWLHR KMQDAFFLVV GSRTCAHLLQ DATA SEQUENCE AAAGVMIFAE PRFGTAVLEE QDLAGLADAH KELDREVAKL LERRPDIRQL DATA SEQUENCE FLVGSCPSEV LKLDLDRAAE RLSGLHAPHV RVYSYTGSGL DTTFTQGEDT DATA SEQUENCE CLAAMVPTLD TTEAAELIVV GALPDVVEDQ CLSLLTQLGV GPVRMLPARR DATA SEQUENCE SDIEPAVGPN TRFILAQPFL GETTGALERR GAKRIAAPFP FGEEGTTLWL DATA SEQUENCE KAVADAYGVS AEKFEAVTAA PRARAKKAIA AHLETLTGKS LFMFPDSQLE DATA SEQUENCE IPLARFLARE CGMKTTEIAT PFLHKAIMAP DLALLPSNTA LTEGQDLEAQ DATA SEQUENCE LDRHEAINPD LTVCGLGLAN PLEAKGHATK WAIELVFTPV HFYEQAGDLA DATA SEQUENCE GLFSRPLRRR ALLN 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.411 174.700 -0.481 0.000 1.109 7 T CA 0.000 61.926 62.100 -0.291 0.000 1.349 7 T CB 0.000 68.647 68.868 -0.369 0.000 0.612 8 F N 2.001 121.941 119.950 -0.017 0.000 2.482 8 F HA 0.796 5.323 4.527 -0.000 0.000 0.331 8 F C 0.793 176.584 175.800 -0.014 0.000 1.115 8 F CA -0.007 57.983 58.000 -0.016 0.000 0.955 8 F CB 2.173 41.165 39.000 -0.013 0.000 1.136 8 F HN 0.552 nan 8.300 nan 0.000 0.452 9 G N 1.195 110.098 108.800 0.172 0.000 2.380 9 G HA2 0.175 4.134 3.960 -0.000 0.000 0.250 9 G HA3 0.175 4.134 3.960 -0.000 0.000 0.250 9 G C -0.961 173.971 174.900 0.053 0.000 1.578 9 G CA -0.953 44.203 45.100 0.093 0.000 0.974 9 G HN 0.782 nan 8.290 nan 0.000 0.680 10 C N 2.073 121.399 119.300 0.042 0.000 3.626 10 C HA 0.306 4.766 4.460 -0.000 0.000 0.276 10 C C 2.419 177.416 174.990 0.013 0.000 1.694 10 C CA 0.752 59.783 59.018 0.020 0.000 1.785 10 C CB -0.423 27.329 27.740 0.019 0.000 3.152 10 C HN 0.897 nan 8.230 nan 0.000 0.571 11 T N 1.352 115.916 114.554 0.017 0.000 2.699 11 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 11 T C 1.000 175.701 174.700 0.002 0.000 1.036 11 T CA 1.905 64.011 62.100 0.011 0.000 1.147 11 T CB -0.180 68.695 68.868 0.012 0.000 0.862 11 T HN 0.555 nan 8.240 nan 0.000 0.446 12 D N 1.174 121.574 120.400 -0.000 0.000 2.363 12 D HA 0.117 4.757 4.640 -0.000 0.000 0.214 12 D C 0.415 176.709 176.300 -0.010 0.000 1.093 12 D CA 0.022 54.018 54.000 -0.006 0.000 0.837 12 D CB 0.124 40.920 40.800 -0.005 0.000 0.948 12 D HN 0.393 nan 8.370 nan 0.000 0.507 13 S N 2.102 117.795 115.700 -0.011 0.000 2.548 13 S HA 0.366 4.836 4.470 -0.000 0.000 0.277 13 S C -2.184 172.403 174.600 -0.021 0.000 1.315 13 S CA -1.215 56.975 58.200 -0.017 0.000 1.050 13 S CB 1.104 64.292 63.200 -0.020 0.000 0.918 13 S HN -0.031 nan 8.310 nan 0.000 0.497 14 P HA 0.141 nan 4.420 nan 0.000 0.267 14 P C -0.418 176.865 177.300 -0.029 0.000 1.205 14 P CA -0.298 62.788 63.100 -0.024 0.000 0.765 14 P CB 0.736 32.424 31.700 -0.020 0.000 0.828 15 V N 4.475 124.369 119.914 -0.033 0.000 2.394 15 V HA 0.321 4.441 4.120 -0.000 0.000 0.282 15 V C 0.347 176.421 176.094 -0.034 0.000 1.031 15 V CA -1.056 61.221 62.300 -0.040 0.000 0.881 15 V CB 0.974 32.767 31.823 -0.050 0.000 0.982 15 V HN 0.530 nan 8.190 nan 0.000 0.451 16 R N 6.581 127.062 120.500 -0.031 0.000 2.345 16 R HA 0.272 4.612 4.340 -0.000 0.000 0.331 16 R C -0.250 176.040 176.300 -0.016 0.000 1.067 16 R CA -0.483 55.605 56.100 -0.020 0.000 0.962 16 R CB 0.241 30.531 30.300 -0.016 0.000 0.987 16 R HN 0.751 nan 8.270 nan 0.000 0.451 17 R N 3.985 124.478 120.500 -0.012 0.000 2.272 17 R HA 0.064 4.404 4.340 -0.000 0.000 0.334 17 R C -0.371 175.936 176.300 0.012 0.000 1.117 17 R CA 0.024 56.121 56.100 -0.004 0.000 0.966 17 R CB 0.413 30.709 30.300 -0.007 0.000 1.049 17 R HN 0.619 nan 8.270 nan 0.000 0.477 18 E N 3.306 123.519 120.200 0.022 0.000 2.179 18 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 18 E C -0.627 175.999 176.600 0.043 0.000 0.945 18 E CA -0.745 55.675 56.400 0.033 0.000 0.792 18 E CB 1.128 30.852 29.700 0.039 0.000 1.125 18 E HN 0.348 nan 8.360 nan 0.000 0.397 19 R N 2.534 123.059 120.500 0.042 0.000 2.575 19 R HA 0.760 5.099 4.340 -0.000 0.000 0.293 19 R C -0.209 176.116 176.300 0.042 0.000 0.983 19 R CA -0.980 55.147 56.100 0.045 0.000 0.887 19 R CB 2.094 32.419 30.300 0.042 0.000 1.184 19 R HN 0.680 nan 8.270 nan 0.000 0.445 20 G N 0.819 109.646 108.800 0.044 0.000 2.356 20 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.281 20 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.281 20 G C -1.450 173.472 174.900 0.037 0.000 1.246 20 G CA -0.927 44.196 45.100 0.039 0.000 0.889 20 G HN 0.399 nan 8.290 nan 0.000 0.486 21 Q N 0.768 120.587 119.800 0.031 0.000 2.262 21 Q HA 0.116 4.456 4.340 -0.000 0.000 0.298 21 Q C -0.414 175.603 176.000 0.028 0.000 1.083 21 Q CA 0.915 56.733 55.803 0.024 0.000 0.962 21 Q CB 0.201 28.949 28.738 0.015 0.000 1.104 21 Q HN 0.304 nan 8.270 nan 0.000 0.376 22 K N 1.728 122.141 120.400 0.023 0.000 2.292 22 K HA 0.500 4.820 4.320 -0.000 0.000 0.257 22 K C -0.996 175.599 176.600 -0.008 0.000 0.940 22 K CA -0.477 55.825 56.287 0.024 0.000 0.811 22 K CB 1.821 34.346 32.500 0.041 0.000 1.120 22 K HN 0.517 nan 8.250 nan 0.000 0.428 23 A N 3.201 126.000 122.820 -0.034 0.000 2.937 23 A HA 0.436 4.756 4.320 -0.000 0.000 0.338 23 A C -0.327 177.176 177.584 -0.134 0.000 1.273 23 A CA -0.533 51.444 52.037 -0.099 0.000 0.937 23 A CB -0.262 18.649 19.000 -0.148 0.000 1.133 23 A HN 0.461 nan 8.150 nan 0.000 0.491 24 V N -2.361 117.488 119.914 -0.108 0.000 3.130 24 V HA 0.817 4.937 4.120 -0.000 0.000 0.310 24 V C -0.751 175.290 176.094 -0.088 0.000 1.158 24 V CA -1.286 60.941 62.300 -0.121 0.000 1.029 24 V CB 1.278 33.111 31.823 0.017 0.000 1.057 24 V HN 0.316 nan 8.190 nan 0.000 0.436 25 F N 1.852 121.732 119.950 -0.116 0.000 2.382 25 F HA 0.673 5.200 4.527 -0.000 0.000 0.331 25 F C 1.168 176.974 175.800 0.011 0.000 1.121 25 F CA -0.916 57.017 58.000 -0.111 0.000 1.183 25 F CB 0.806 39.637 39.000 -0.282 0.000 1.207 25 F HN 1.074 nan 8.300 nan 0.000 0.555 26 C N 0.374 119.814 119.300 0.233 0.000 2.480 26 C HA 0.616 5.076 4.460 -0.000 0.000 0.358 26 C C 1.745 176.800 174.990 0.109 0.000 1.309 26 C CA -0.180 58.916 59.018 0.130 0.000 2.465 26 C CB 0.389 28.165 27.740 0.060 0.000 2.379 26 C HN 0.993 nan 8.230 nan 0.000 0.642 27 G N -0.013 108.824 108.800 0.062 0.000 2.509 27 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.218 27 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.218 27 G C 1.124 175.973 174.900 -0.084 0.000 1.124 27 G CA 0.509 45.619 45.100 0.018 0.000 0.776 27 G HN 0.703 nan 8.290 nan 0.000 0.547 28 L N 1.186 122.343 121.223 -0.109 0.000 2.043 28 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 28 L C 3.125 179.787 176.870 -0.348 0.000 1.075 28 L CA 2.104 56.816 54.840 -0.213 0.000 0.752 28 L CB -1.137 40.811 42.059 -0.184 0.000 0.891 28 L HN 0.171 nan 8.230 nan 0.000 0.432 29 T N -0.855 113.517 114.554 -0.303 0.000 2.684 29 T HA -0.297 4.053 4.350 -0.000 0.000 0.267 29 T C 2.047 176.437 174.700 -0.516 0.000 1.032 29 T CA 1.898 63.793 62.100 -0.341 0.000 1.155 29 T CB -0.563 68.229 68.868 -0.126 0.000 0.857 29 T HN 0.658 nan 8.240 nan 0.000 0.457 30 S N 1.405 116.713 115.700 -0.653 0.000 2.402 30 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 30 S C 1.983 175.678 174.600 -1.509 0.000 1.030 30 S CA 1.117 58.425 58.200 -1.488 0.000 1.003 30 S CB -0.927 61.731 63.200 -0.902 0.000 0.813 30 S HN 0.567 nan 8.310 nan 0.000 0.477 31 I N 1.350 121.321 120.570 -0.998 0.000 2.399 31 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 31 I C 2.391 177.953 176.117 -0.924 0.000 1.146 31 I CA 0.876 61.526 61.300 -1.084 0.000 1.412 31 I CB -0.503 36.929 38.000 -0.946 0.000 1.076 31 I HN 0.227 nan 8.210 nan 0.000 0.432 32 V N 0.654 120.097 119.914 -0.784 0.000 2.237 32 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 32 V C 2.161 178.204 176.094 -0.085 0.000 1.046 32 V CA 2.502 64.565 62.300 -0.395 0.000 1.007 32 V CB -0.837 30.827 31.823 -0.264 0.000 0.638 32 V HN 0.783 nan 8.190 nan 0.000 0.445 33 W N -0.628 120.626 121.300 -0.077 0.000 2.518 33 W HA 0.111 4.771 4.660 -0.000 0.000 0.273 33 W C 1.772 178.214 176.519 -0.129 0.000 1.247 33 W CA 0.305 57.615 57.345 -0.059 0.000 1.288 33 W CB -0.990 28.455 29.460 -0.026 0.000 1.107 33 W HN 0.122 nan 8.180 nan 0.000 0.586 34 L N 1.799 122.634 121.223 -0.646 0.000 2.072 34 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 34 L C 2.901 179.597 176.870 -0.289 0.000 1.079 34 L CA 2.493 57.049 54.840 -0.474 0.000 0.752 34 L CB -1.534 40.020 42.059 -0.841 0.000 0.906 34 L HN 0.470 nan 8.230 nan 0.000 0.436 35 H N -2.071 116.696 119.070 -0.504 0.000 2.491 35 H HA -0.038 4.518 4.556 -0.000 0.000 0.290 35 H C 2.173 177.534 175.328 0.056 0.000 1.050 35 H CA 1.175 57.149 56.048 -0.123 0.000 1.309 35 H CB -0.222 29.454 29.762 -0.143 0.000 1.392 35 H HN 0.223 nan 8.280 nan 0.000 0.554 36 R N 0.224 120.287 120.500 -0.730 0.000 2.081 36 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 36 R C 2.192 178.407 176.300 -0.141 0.000 1.131 36 R CA 1.618 57.435 56.100 -0.472 0.000 0.960 36 R CB -0.081 30.047 30.300 -0.288 0.000 0.856 36 R HN 0.279 nan 8.270 nan 0.000 0.436 37 K N 0.487 120.858 120.400 -0.049 0.000 2.062 37 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 37 K C 0.508 177.137 176.600 0.048 0.000 1.051 37 K CA 1.093 57.392 56.287 0.020 0.000 0.941 37 K CB 0.245 32.782 32.500 0.061 0.000 0.719 37 K HN -0.031 nan 8.250 nan 0.000 0.440 38 M N 1.950 121.605 119.600 0.092 0.000 2.365 38 M HA 0.112 4.592 4.480 -0.000 0.000 0.350 38 M C 0.231 176.625 176.300 0.158 0.000 1.274 38 M CA -0.075 55.311 55.300 0.143 0.000 1.252 38 M CB 1.329 34.061 32.600 0.219 0.000 1.297 38 M HN 0.120 nan 8.290 nan 0.000 0.438 39 Q N 0.512 120.378 119.800 0.111 0.000 2.224 39 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 39 Q C 0.560 176.645 176.000 0.142 0.000 0.970 39 Q CA 1.251 57.120 55.803 0.110 0.000 0.865 39 Q CB 0.178 28.961 28.738 0.075 0.000 0.922 39 Q HN 0.683 nan 8.270 nan 0.000 0.445 40 D N -0.095 120.391 120.400 0.144 0.000 2.347 40 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 40 D C -0.246 176.167 176.300 0.188 0.000 0.985 40 D CA 0.231 54.321 54.000 0.150 0.000 0.879 40 D CB 0.299 41.174 40.800 0.124 0.000 0.919 40 D HN 0.210 nan 8.370 nan 0.000 0.526 41 A N 0.044 123.000 122.820 0.227 0.000 2.282 41 A HA 0.587 4.907 4.320 -0.000 0.000 0.319 41 A C -0.931 176.828 177.584 0.291 0.000 1.121 41 A CA -0.426 51.747 52.037 0.226 0.000 0.836 41 A CB 0.616 19.734 19.000 0.198 0.000 1.146 41 A HN 0.121 nan 8.150 nan 0.000 0.494 42 F N 0.508 120.494 119.950 0.060 0.000 2.556 42 F HA 0.688 5.215 4.527 -0.000 0.000 0.314 42 F C -1.621 174.201 175.800 0.035 0.000 1.106 42 F CA -1.054 57.028 58.000 0.137 0.000 0.911 42 F CB 1.631 40.687 39.000 0.095 0.000 1.190 42 F HN 0.418 nan 8.300 nan 0.000 0.448 43 F N 7.075 126.917 119.950 -0.180 0.000 2.332 43 F HA 0.451 4.978 4.527 -0.000 0.000 0.368 43 F C -0.703 175.101 175.800 0.007 0.000 1.110 43 F CA -0.882 57.134 58.000 0.026 0.000 1.087 43 F CB 1.170 40.099 39.000 -0.119 0.000 1.235 43 F HN 0.206 nan 8.300 nan 0.000 0.470 44 L N 4.979 126.425 121.223 0.371 0.000 2.255 44 L HA 0.527 4.867 4.340 -0.000 0.000 0.289 44 L C -0.617 176.344 176.870 0.151 0.000 1.046 44 L CA -0.406 54.632 54.840 0.331 0.000 0.816 44 L CB 0.866 43.116 42.059 0.318 0.000 1.197 44 L HN 0.328 nan 8.230 nan 0.000 0.427 45 V N 6.305 126.276 119.914 0.095 0.000 2.455 45 V HA 0.211 4.331 4.120 -0.000 0.000 0.273 45 V C -0.000 176.101 176.094 0.012 0.000 1.045 45 V CA -0.534 61.771 62.300 0.009 0.000 0.976 45 V CB 1.353 33.162 31.823 -0.023 0.000 0.993 45 V HN 0.464 nan 8.190 nan 0.000 0.475 46 V N 5.801 125.706 119.914 -0.014 0.000 2.368 46 V HA 0.836 4.956 4.120 -0.000 0.000 0.266 46 V C 0.742 176.821 176.094 -0.025 0.000 1.045 46 V CA 0.557 62.847 62.300 -0.017 0.000 0.899 46 V CB 0.363 32.168 31.823 -0.031 0.000 1.006 46 V HN 1.074 nan 8.190 nan 0.000 0.470 47 G N 3.366 112.157 108.800 -0.016 0.000 2.570 47 G HA2 0.567 4.527 3.960 -0.000 0.000 0.310 47 G HA3 0.567 4.527 3.960 -0.000 0.000 0.310 47 G C -0.564 174.330 174.900 -0.009 0.000 1.266 47 G CA 0.139 45.229 45.100 -0.017 0.000 0.825 47 G HN 0.795 nan 8.290 nan 0.000 0.483 48 S N -1.054 114.642 115.700 -0.007 0.000 2.713 48 S HA 0.386 4.856 4.470 -0.000 0.000 0.277 48 S C 1.524 176.126 174.600 0.003 0.000 1.168 48 S CA 0.434 58.632 58.200 -0.004 0.000 0.994 48 S CB 1.767 64.965 63.200 -0.004 0.000 1.054 48 S HN 0.945 nan 8.310 nan 0.000 0.555 49 R N -0.058 120.441 120.500 -0.001 0.000 2.120 49 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 49 R C 1.820 178.132 176.300 0.020 0.000 1.123 49 R CA 2.027 58.128 56.100 0.002 0.000 0.975 49 R CB -1.341 28.946 30.300 -0.022 0.000 0.866 49 R HN 0.815 nan 8.270 nan 0.000 0.446 50 T N 0.310 114.873 114.554 0.015 0.000 2.665 50 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 50 T C 2.044 176.783 174.700 0.065 0.000 1.035 50 T CA 1.688 63.818 62.100 0.049 0.000 1.151 50 T CB -0.579 68.307 68.868 0.029 0.000 0.862 50 T HN 0.425 nan 8.240 nan 0.000 0.438 51 C N 1.826 121.140 119.300 0.024 0.000 2.413 51 C HA 0.054 4.514 4.460 -0.000 0.000 0.277 51 C C 3.266 178.253 174.990 -0.005 0.000 1.228 51 C CA 0.201 59.215 59.018 -0.007 0.000 1.731 51 C CB -1.628 26.100 27.740 -0.021 0.000 2.042 51 C HN 0.672 nan 8.230 nan 0.000 0.468 52 A N -0.267 122.568 122.820 0.025 0.000 1.903 52 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 52 A C 2.106 179.729 177.584 0.064 0.000 1.191 52 A CA 2.264 54.327 52.037 0.043 0.000 0.638 52 A CB -1.281 17.750 19.000 0.051 0.000 0.823 52 A HN 0.845 nan 8.150 nan 0.000 0.451 53 H N -0.913 118.136 119.070 -0.034 0.000 2.321 53 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 53 H C 2.153 177.446 175.328 -0.058 0.000 1.087 53 H CA 1.693 57.720 56.048 -0.036 0.000 1.319 53 H CB -0.103 29.644 29.762 -0.025 0.000 1.379 53 H HN 0.420 nan 8.280 nan 0.000 0.501 54 L N 1.088 122.272 121.223 -0.065 0.000 1.971 54 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 54 L C 2.447 179.173 176.870 -0.241 0.000 1.072 54 L CA 1.485 56.222 54.840 -0.170 0.000 0.758 54 L CB -0.854 41.130 42.059 -0.124 0.000 0.889 54 L HN 0.264 nan 8.230 nan 0.000 0.433 55 L N -0.593 120.505 121.223 -0.209 0.000 2.021 55 L HA -0.323 4.017 4.340 -0.000 0.000 0.215 55 L C 2.767 179.526 176.870 -0.184 0.000 1.074 55 L CA 2.207 56.887 54.840 -0.266 0.000 0.760 55 L CB -0.769 41.168 42.059 -0.204 0.000 0.889 55 L HN 0.582 nan 8.230 nan 0.000 0.433 56 Q N -0.381 119.349 119.800 -0.116 0.000 2.002 56 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 56 Q C 2.283 178.177 176.000 -0.178 0.000 0.988 56 Q CA 2.150 57.881 55.803 -0.119 0.000 0.843 56 Q CB -0.119 28.563 28.738 -0.093 0.000 0.908 56 Q HN 0.517 nan 8.270 nan 0.000 0.420 57 A N 0.615 123.288 122.820 -0.244 0.000 1.908 57 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 57 A C 2.234 179.710 177.584 -0.180 0.000 1.181 57 A CA 1.937 53.840 52.037 -0.223 0.000 0.627 57 A CB -1.062 17.779 19.000 -0.265 0.000 0.818 57 A HN 0.577 nan 8.150 nan 0.000 0.445 58 A N -1.067 121.604 122.820 -0.250 0.000 2.119 58 A HA 0.350 4.670 4.320 -0.000 0.000 0.217 58 A C 2.131 179.616 177.584 -0.165 0.000 1.153 58 A CA 1.642 53.513 52.037 -0.277 0.000 0.692 58 A CB -0.490 18.227 19.000 -0.472 0.000 0.799 58 A HN 1.063 nan 8.150 nan 0.000 0.458 59 A N -1.590 121.145 122.820 -0.143 0.000 2.252 59 A HA 0.474 4.794 4.320 -0.000 0.000 0.213 59 A C 1.829 179.372 177.584 -0.069 0.000 1.188 59 A CA 1.198 53.192 52.037 -0.073 0.000 0.863 59 A CB -0.893 18.123 19.000 0.027 0.000 0.893 59 A HN 1.616 nan 8.150 nan 0.000 0.495 60 G N 0.071 108.814 108.800 -0.094 0.000 2.684 60 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.342 60 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.342 60 G C 1.262 176.102 174.900 -0.100 0.000 1.316 60 G CA 1.919 46.970 45.100 -0.081 0.000 0.994 60 G HN 0.885 nan 8.290 nan 0.000 0.541 61 V N 0.756 120.660 119.914 -0.017 0.000 2.392 61 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 61 V C 2.841 178.949 176.094 0.022 0.000 1.059 61 V CA 3.056 65.403 62.300 0.078 0.000 1.051 61 V CB -0.732 31.149 31.823 0.097 0.000 0.658 61 V HN 0.605 nan 8.190 nan 0.000 0.455 62 M N -0.452 119.138 119.600 -0.017 0.000 2.195 62 M HA -0.221 4.258 4.480 -0.000 0.000 0.260 62 M C 2.095 178.344 176.300 -0.085 0.000 1.066 62 M CA 1.950 57.255 55.300 0.008 0.000 1.089 62 M CB -0.307 32.336 32.600 0.073 0.000 1.377 62 M HN 0.380 nan 8.290 nan 0.000 0.411 63 I N 0.233 120.653 120.570 -0.250 0.000 2.315 63 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 63 I C 1.190 177.067 176.117 -0.400 0.000 1.125 63 I CA 1.699 62.764 61.300 -0.392 0.000 1.392 63 I CB -0.259 37.427 38.000 -0.523 0.000 1.065 63 I HN 0.224 nan 8.210 nan 0.000 0.424 64 F N 0.370 120.302 119.950 -0.029 0.000 2.780 64 F HA 0.253 4.780 4.527 -0.000 0.000 0.299 64 F C 1.956 177.740 175.800 -0.027 0.000 1.146 64 F CA 0.425 58.408 58.000 -0.027 0.000 1.428 64 F CB -0.923 38.069 39.000 -0.015 0.000 1.115 64 F HN 0.051 nan 8.300 nan 0.000 0.583 65 A N 0.143 123.022 122.820 0.098 0.000 3.163 65 A HA 0.225 4.545 4.320 -0.000 0.000 0.283 65 A C 0.574 178.174 177.584 0.025 0.000 1.412 65 A CA -0.330 51.751 52.037 0.073 0.000 1.053 65 A CB -1.203 17.843 19.000 0.076 0.000 1.082 65 A HN 0.338 nan 8.150 nan 0.000 0.639 66 E N 1.091 121.291 120.200 0.001 0.000 1.666 66 E HA -0.170 4.180 4.350 -0.000 0.000 0.166 66 E C -1.946 174.613 176.600 -0.067 0.000 1.213 66 E CA 0.174 56.551 56.400 -0.038 0.000 0.524 66 E CB -0.630 29.074 29.700 0.006 0.000 1.037 66 E HN 0.605 nan 8.360 nan 0.000 0.270 67 P HA 0.064 nan 4.420 nan 0.000 0.276 67 P C -0.552 176.538 177.300 -0.351 0.000 1.244 67 P CA -0.120 62.815 63.100 -0.276 0.000 0.801 67 P CB 0.714 32.014 31.700 -0.667 0.000 1.006 68 R N 1.745 122.165 120.500 -0.133 0.000 4.680 68 R HA 0.329 4.669 4.340 -0.000 0.000 0.222 68 R C -0.218 175.650 176.300 -0.720 0.000 1.803 68 R CA -0.102 55.945 56.100 -0.089 0.000 1.560 68 R CB -0.970 29.511 30.300 0.303 0.000 1.412 68 R HN 0.513 nan 8.270 nan 0.000 0.815 69 F N -2.664 116.735 119.950 -0.917 0.000 2.631 69 F HA 0.867 5.394 4.527 -0.000 0.000 0.308 69 F C -0.178 175.324 175.800 -0.497 0.000 1.097 69 F CA -1.162 56.249 58.000 -0.982 0.000 0.952 69 F CB 1.511 40.143 39.000 -0.615 0.000 1.307 69 F HN 0.036 nan 8.300 nan 0.000 0.450 70 G N -0.013 108.816 108.800 0.049 0.000 2.606 70 G HA2 0.591 4.551 3.960 -0.000 0.000 0.300 70 G HA3 0.591 4.551 3.960 -0.000 0.000 0.300 70 G C -2.069 172.962 174.900 0.219 0.000 1.360 70 G CA -1.024 44.214 45.100 0.230 0.000 0.783 70 G HN 0.764 nan 8.290 nan 0.000 0.484 71 T N 0.400 115.047 114.554 0.155 0.000 2.949 71 T HA 0.572 4.922 4.350 -0.000 0.000 0.300 71 T C 0.108 174.852 174.700 0.073 0.000 0.988 71 T CA 0.162 62.321 62.100 0.098 0.000 0.993 71 T CB 1.512 70.418 68.868 0.063 0.000 0.984 71 T HN 1.228 nan 8.240 nan 0.000 0.442 72 A N 3.593 126.450 122.820 0.061 0.000 2.899 72 A HA 0.445 4.765 4.320 -0.000 0.000 0.287 72 A C 0.605 178.198 177.584 0.015 0.000 1.715 72 A CA -0.383 51.674 52.037 0.032 0.000 1.393 72 A CB -0.814 18.199 19.000 0.022 0.000 1.070 72 A HN 0.757 nan 8.150 nan 0.000 0.587 73 V N 3.972 123.895 119.914 0.015 0.000 2.450 73 V HA -0.046 4.073 4.120 -0.000 0.000 0.281 73 V C 0.492 176.585 176.094 -0.002 0.000 1.019 73 V CA -0.290 62.014 62.300 0.006 0.000 1.062 73 V CB -0.114 31.714 31.823 0.008 0.000 0.979 73 V HN 0.586 nan 8.190 nan 0.000 0.477 74 L N 6.593 127.811 121.223 -0.007 0.000 2.534 74 L HA 0.161 4.501 4.340 -0.000 0.000 0.271 74 L C 0.784 177.648 176.870 -0.009 0.000 1.178 74 L CA 0.535 55.368 54.840 -0.011 0.000 0.907 74 L CB -0.479 41.571 42.059 -0.015 0.000 1.164 74 L HN 0.705 nan 8.230 nan 0.000 0.482 75 E N 2.123 122.318 120.200 -0.009 0.000 2.267 75 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 75 E C 0.519 177.115 176.600 -0.008 0.000 1.074 75 E CA -0.677 55.718 56.400 -0.008 0.000 0.915 75 E CB 0.773 30.469 29.700 -0.006 0.000 1.186 75 E HN 0.458 nan 8.360 nan 0.000 0.439 76 E N 1.104 121.300 120.200 -0.007 0.000 2.086 76 E HA -0.299 4.051 4.350 -0.000 0.000 0.205 76 E C 1.776 178.373 176.600 -0.004 0.000 1.027 76 E CA 2.413 58.809 56.400 -0.006 0.000 0.830 76 E CB -0.063 29.634 29.700 -0.005 0.000 0.751 76 E HN 0.542 nan 8.360 nan 0.000 0.456 77 Q N -0.643 119.155 119.800 -0.004 0.000 2.482 77 Q HA -0.032 4.307 4.340 -0.000 0.000 0.209 77 Q C 0.700 176.698 176.000 -0.003 0.000 0.961 77 Q CA 0.926 56.727 55.803 -0.002 0.000 0.945 77 Q CB 0.303 29.040 28.738 -0.001 0.000 1.012 77 Q HN 0.313 nan 8.270 nan 0.000 0.515 78 D N 0.493 120.889 120.400 -0.006 0.000 2.305 78 D HA -0.020 4.620 4.640 -0.000 0.000 0.206 78 D C 1.575 177.869 176.300 -0.010 0.000 0.974 78 D CA 0.273 54.266 54.000 -0.011 0.000 0.871 78 D CB 0.381 41.171 40.800 -0.017 0.000 0.947 78 D HN 0.191 nan 8.370 nan 0.000 0.516 79 L N 1.605 122.824 121.223 -0.007 0.000 2.005 79 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 79 L C 1.708 178.577 176.870 -0.001 0.000 1.072 79 L CA 0.891 55.728 54.840 -0.005 0.000 0.744 79 L CB -1.204 40.853 42.059 -0.004 0.000 0.895 79 L HN -0.124 nan 8.230 nan 0.000 0.433 80 A N -0.013 122.807 122.820 0.000 0.000 3.078 80 A HA 0.418 4.738 4.320 -0.000 0.000 0.258 80 A C 1.181 178.769 177.584 0.006 0.000 1.971 80 A CA 0.694 52.733 52.037 0.003 0.000 1.524 80 A CB -1.913 17.089 19.000 0.002 0.000 0.871 80 A HN 0.624 nan 8.150 nan 0.000 0.609 81 G N -0.782 108.023 108.800 0.007 0.000 2.796 81 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.226 81 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.226 81 G C 0.407 175.317 174.900 0.017 0.000 1.381 81 G CA -0.044 45.063 45.100 0.012 0.000 0.867 81 G HN 1.689 nan 8.290 nan 0.000 0.552 82 L N -1.719 119.518 121.223 0.022 0.000 3.547 82 L HA -0.088 4.252 4.340 -0.000 0.000 0.055 82 L C 2.370 179.264 176.870 0.039 0.000 4.230 82 L CA 3.684 58.541 54.840 0.028 0.000 0.848 82 L CB -1.859 40.212 42.059 0.020 0.000 3.418 82 L HN 2.981 nan 8.230 nan 0.000 0.681 83 A N 0.134 122.972 122.820 0.030 0.000 2.928 83 A HA -0.211 4.109 4.320 -0.000 0.000 0.950 83 A C 0.366 177.979 177.584 0.048 0.000 2.035 83 A CA 1.186 53.241 52.037 0.030 0.000 2.459 83 A CB -0.705 18.305 19.000 0.018 0.000 1.431 83 A HN 0.661 nan 8.150 nan 0.000 0.658 84 D N 1.110 121.534 120.400 0.040 0.000 2.943 84 D HA 0.454 5.094 4.640 -0.000 0.000 0.249 84 D C 1.551 177.874 176.300 0.038 0.000 1.231 84 D CA 0.766 54.803 54.000 0.060 0.000 0.979 84 D CB -0.140 40.701 40.800 0.068 0.000 1.053 84 D HN 0.834 nan 8.370 nan 0.000 0.504 85 A N 1.046 123.875 122.820 0.015 0.000 1.929 85 A HA -0.284 4.036 4.320 -0.000 0.000 0.221 85 A C 1.808 179.341 177.584 -0.085 0.000 1.211 85 A CA 1.513 53.518 52.037 -0.054 0.000 0.657 85 A CB -0.594 18.348 19.000 -0.097 0.000 0.827 85 A HN 0.555 nan 8.150 nan 0.000 0.462 86 H N -1.152 117.920 119.070 0.004 0.000 2.395 86 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 86 H C 2.135 177.466 175.328 0.004 0.000 1.070 86 H CA 1.651 57.701 56.048 0.005 0.000 1.356 86 H CB -0.014 29.750 29.762 0.003 0.000 1.401 86 H HN 0.555 nan 8.280 nan 0.000 0.524 87 K N 0.502 120.972 120.400 0.117 0.000 2.076 87 K HA -0.082 4.237 4.320 -0.000 0.000 0.204 87 K C 2.182 178.805 176.600 0.037 0.000 1.051 87 K CA 0.533 56.858 56.287 0.064 0.000 0.949 87 K CB 0.303 32.830 32.500 0.045 0.000 0.726 87 K HN 0.146 nan 8.250 nan 0.000 0.443 88 E N 0.993 121.208 120.200 0.024 0.000 2.048 88 E HA -0.258 4.092 4.350 -0.000 0.000 0.202 88 E C 2.027 178.630 176.600 0.004 0.000 1.021 88 E CA 1.226 57.631 56.400 0.007 0.000 0.825 88 E CB -0.444 29.253 29.700 -0.004 0.000 0.756 88 E HN 0.128 nan 8.360 nan 0.000 0.454 89 L N 1.932 123.153 121.223 -0.002 0.000 2.043 89 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 89 L C 1.680 178.559 176.870 0.015 0.000 1.075 89 L CA 2.026 56.863 54.840 -0.006 0.000 0.752 89 L CB -0.635 41.406 42.059 -0.030 0.000 0.891 89 L HN -0.034 nan 8.230 nan 0.000 0.432 90 D N -0.820 119.603 120.400 0.039 0.000 2.084 90 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 90 D C 2.297 178.621 176.300 0.040 0.000 0.990 90 D CA 1.326 55.358 54.000 0.055 0.000 0.826 90 D CB -0.248 40.590 40.800 0.064 0.000 0.971 90 D HN 0.310 nan 8.370 nan 0.000 0.453 91 R N 0.761 121.276 120.500 0.024 0.000 2.096 91 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 91 R C 1.768 178.067 176.300 -0.002 0.000 1.139 91 R CA 1.317 57.424 56.100 0.012 0.000 0.952 91 R CB 0.025 30.328 30.300 0.006 0.000 0.854 91 R HN 0.105 nan 8.270 nan 0.000 0.436 92 E N 0.139 120.333 120.200 -0.009 0.000 2.077 92 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 92 E C 2.106 178.674 176.600 -0.054 0.000 0.989 92 E CA 1.050 57.434 56.400 -0.026 0.000 0.800 92 E CB -0.299 29.391 29.700 -0.017 0.000 0.746 92 E HN 0.207 nan 8.360 nan 0.000 0.452 93 V N 1.506 121.390 119.914 -0.050 0.000 2.343 93 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 93 V C 2.379 178.393 176.094 -0.133 0.000 1.051 93 V CA 1.794 64.031 62.300 -0.105 0.000 1.036 93 V CB -0.729 31.044 31.823 -0.083 0.000 0.654 93 V HN 0.256 nan 8.190 nan 0.000 0.451 94 A N -0.414 122.389 122.820 -0.028 0.000 1.873 94 A HA -0.256 4.064 4.320 -0.000 0.000 0.215 94 A C 2.303 179.863 177.584 -0.041 0.000 1.186 94 A CA 2.105 54.157 52.037 0.026 0.000 0.616 94 A CB -0.523 18.531 19.000 0.091 0.000 0.823 94 A HN 0.505 nan 8.150 nan 0.000 0.442 95 K N -0.766 119.606 120.400 -0.046 0.000 2.074 95 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 95 K C 1.889 178.426 176.600 -0.104 0.000 1.048 95 K CA 1.770 58.021 56.287 -0.060 0.000 0.926 95 K CB -0.308 32.164 32.500 -0.047 0.000 0.713 95 K HN 0.378 nan 8.250 nan 0.000 0.444 96 L N 0.615 121.747 121.223 -0.153 0.000 2.005 96 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 96 L C 1.869 178.573 176.870 -0.276 0.000 1.072 96 L CA 1.490 56.179 54.840 -0.251 0.000 0.744 96 L CB -0.573 41.279 42.059 -0.346 0.000 0.895 96 L HN 0.143 nan 8.230 nan 0.000 0.433 97 L N -0.105 120.958 121.223 -0.266 0.000 2.141 97 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 97 L C 2.544 179.303 176.870 -0.184 0.000 1.094 97 L CA 1.512 56.195 54.840 -0.262 0.000 0.763 97 L CB -1.056 40.799 42.059 -0.339 0.000 0.908 97 L HN 0.487 nan 8.230 nan 0.000 0.437 98 E N 0.186 120.307 120.200 -0.132 0.000 2.015 98 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 98 E C 1.930 178.476 176.600 -0.090 0.000 0.991 98 E CA 0.816 57.161 56.400 -0.092 0.000 0.802 98 E CB 0.008 29.672 29.700 -0.059 0.000 0.759 98 E HN 0.485 nan 8.360 nan 0.000 0.447 99 R N 0.057 120.502 120.500 -0.093 0.000 2.343 99 R HA 0.031 4.371 4.340 -0.000 0.000 0.202 99 R C 0.358 176.612 176.300 -0.077 0.000 1.023 99 R CA 0.433 56.489 56.100 -0.074 0.000 1.084 99 R CB 0.120 30.381 30.300 -0.065 0.000 0.956 99 R HN -0.160 nan 8.270 nan 0.000 0.478 100 R N 0.305 120.745 120.500 -0.099 0.000 2.714 100 R HA 0.171 4.511 4.340 -0.000 0.000 0.214 100 R C -2.422 173.819 176.300 -0.097 0.000 1.474 100 R CA -1.151 54.894 56.100 -0.091 0.000 1.435 100 R CB 0.947 31.155 30.300 -0.153 0.000 1.517 100 R HN 0.087 nan 8.270 nan 0.000 0.748 101 P HA -0.018 nan 4.420 nan 0.000 0.245 101 P C 0.152 177.426 177.300 -0.042 0.000 1.206 101 P CA 0.537 63.554 63.100 -0.138 0.000 0.781 101 P CB 0.428 32.060 31.700 -0.113 0.000 0.994 102 D N 0.049 120.468 120.400 0.032 0.000 2.178 102 D HA -0.116 4.523 4.640 -0.000 0.000 0.201 102 D C 0.872 177.256 176.300 0.141 0.000 0.980 102 D CA 0.545 54.606 54.000 0.102 0.000 0.842 102 D CB -0.775 40.077 40.800 0.086 0.000 0.948 102 D HN 0.095 nan 8.370 nan 0.000 0.472 103 I N 1.208 121.838 120.570 0.100 0.000 2.618 103 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 103 I C 1.554 177.764 176.117 0.155 0.000 1.146 103 I CA 0.207 61.581 61.300 0.123 0.000 1.425 103 I CB 0.922 38.968 38.000 0.077 0.000 1.383 103 I HN -0.055 nan 8.210 nan 0.000 0.562 104 R N 3.814 124.410 120.500 0.160 0.000 2.316 104 R HA 0.153 4.493 4.340 -0.000 0.000 0.201 104 R C -0.232 176.134 176.300 0.110 0.000 0.888 104 R CA 0.367 56.564 56.100 0.162 0.000 1.041 104 R CB 0.588 30.955 30.300 0.112 0.000 1.115 104 R HN 0.771 nan 8.270 nan 0.000 0.559 105 Q N 0.591 120.451 119.800 0.099 0.000 2.323 105 Q HA 0.411 4.751 4.340 -0.000 0.000 0.271 105 Q C -1.559 174.433 176.000 -0.013 0.000 1.048 105 Q CA -1.097 54.741 55.803 0.058 0.000 0.792 105 Q CB 2.359 31.171 28.738 0.122 0.000 1.280 105 Q HN 0.014 nan 8.270 nan 0.000 0.441 106 L N 2.376 123.537 121.223 -0.104 0.000 2.341 106 L HA 0.628 4.968 4.340 -0.000 0.000 0.278 106 L C -1.929 174.844 176.870 -0.161 0.000 1.005 106 L CA -0.445 54.365 54.840 -0.050 0.000 0.818 106 L CB 1.215 43.245 42.059 -0.047 0.000 1.259 106 L HN 0.662 nan 8.230 nan 0.000 0.418 107 F N 5.687 125.649 119.950 0.021 0.000 2.361 107 F HA 0.453 4.980 4.527 -0.000 0.000 0.364 107 F C -0.203 175.633 175.800 0.059 0.000 1.117 107 F CA -0.574 57.465 58.000 0.066 0.000 1.071 107 F CB 1.246 40.244 39.000 -0.003 0.000 1.188 107 F HN 0.255 nan 8.300 nan 0.000 0.464 108 L N 5.326 126.652 121.223 0.170 0.000 2.342 108 L HA 0.324 4.664 4.340 -0.000 0.000 0.285 108 L C -0.537 176.306 176.870 -0.045 0.000 1.095 108 L CA -0.619 54.264 54.840 0.071 0.000 0.843 108 L CB 0.120 42.206 42.059 0.044 0.000 1.201 108 L HN 0.291 nan 8.230 nan 0.000 0.445 109 V N 2.733 122.567 119.914 -0.134 0.000 2.333 109 V HA 0.375 4.495 4.120 -0.000 0.000 0.274 109 V C 0.950 176.902 176.094 -0.237 0.000 1.028 109 V CA -0.587 61.463 62.300 -0.416 0.000 0.851 109 V CB 1.114 32.704 31.823 -0.387 0.000 1.000 109 V HN 0.824 nan 8.190 nan 0.000 0.456 110 G N 3.709 112.378 108.800 -0.218 0.000 2.403 110 G HA2 0.478 4.438 3.960 -0.000 0.000 0.259 110 G HA3 0.478 4.438 3.960 -0.000 0.000 0.259 110 G C 0.265 175.115 174.900 -0.084 0.000 1.244 110 G CA 0.149 45.186 45.100 -0.105 0.000 0.849 110 G HN 0.873 nan 8.290 nan 0.000 0.532 111 S N 0.411 116.078 115.700 -0.054 0.000 2.767 111 S HA 0.278 4.748 4.470 -0.000 0.000 0.300 111 S C 1.455 176.044 174.600 -0.018 0.000 1.123 111 S CA -0.339 57.839 58.200 -0.038 0.000 0.992 111 S CB 1.108 64.287 63.200 -0.035 0.000 1.138 111 S HN 0.555 nan 8.310 nan 0.000 0.550 112 C N 1.283 120.578 119.300 -0.008 0.000 2.413 112 C HA 0.052 4.512 4.460 -0.000 0.000 0.278 112 C C -0.351 174.639 174.990 -0.001 0.000 1.224 112 C CA 1.390 60.409 59.018 0.001 0.000 1.732 112 C CB -2.315 25.429 27.740 0.007 0.000 2.050 112 C HN 0.751 nan 8.230 nan 0.000 0.463 113 P HA -0.146 nan 4.420 nan 0.000 0.216 113 P C 1.919 179.213 177.300 -0.010 0.000 1.153 113 P CA 2.803 65.899 63.100 -0.006 0.000 0.858 113 P CB -0.279 31.416 31.700 -0.009 0.000 0.789 114 S N -0.864 114.826 115.700 -0.017 0.000 2.383 114 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 114 S C 1.953 176.545 174.600 -0.014 0.000 1.026 114 S CA 1.286 59.472 58.200 -0.023 0.000 0.981 114 S CB -1.006 62.175 63.200 -0.032 0.000 0.818 114 S HN 0.147 nan 8.310 nan 0.000 0.472 115 E N 0.460 120.657 120.200 -0.006 0.000 2.046 115 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 115 E C 2.140 178.745 176.600 0.008 0.000 0.982 115 E CA 1.136 57.539 56.400 0.005 0.000 0.800 115 E CB -0.205 29.502 29.700 0.010 0.000 0.756 115 E HN 0.394 nan 8.360 nan 0.000 0.449 116 V N 1.358 121.276 119.914 0.007 0.000 2.407 116 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 116 V C 2.084 178.182 176.094 0.007 0.000 1.055 116 V CA 1.344 63.650 62.300 0.009 0.000 1.049 116 V CB -0.331 31.497 31.823 0.008 0.000 0.662 116 V HN 0.322 nan 8.190 nan 0.000 0.455 117 L N 1.198 122.422 121.223 0.001 0.000 2.622 117 L HA -0.003 4.337 4.340 -0.000 0.000 0.233 117 L C 1.219 178.092 176.870 0.004 0.000 1.156 117 L CA 0.244 55.084 54.840 -0.000 0.000 0.866 117 L CB -0.597 41.456 42.059 -0.010 0.000 0.980 117 L HN 0.513 nan 8.230 nan 0.000 0.448 118 K N 0.221 120.626 120.400 0.008 0.000 3.356 118 K HA -0.228 4.092 4.320 -0.000 0.000 0.270 118 K C -0.465 176.146 176.600 0.018 0.000 0.901 118 K CA 0.722 57.019 56.287 0.016 0.000 0.688 118 K CB -2.705 29.810 32.500 0.025 0.000 1.460 118 K HN 0.404 nan 8.250 nan 0.000 0.458 119 L N 1.137 122.356 121.223 -0.007 0.000 2.477 119 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 119 L C 0.950 177.827 176.870 0.013 0.000 1.157 119 L CA -0.141 54.679 54.840 -0.034 0.000 0.889 119 L CB 0.153 42.147 42.059 -0.108 0.000 1.158 119 L HN 0.123 nan 8.230 nan 0.000 0.473 120 D N 3.721 124.175 120.400 0.091 0.000 2.498 120 D HA 0.031 4.670 4.640 -0.000 0.000 0.229 120 D C 0.978 177.357 176.300 0.132 0.000 1.188 120 D CA -0.251 53.823 54.000 0.124 0.000 1.028 120 D CB 0.748 41.642 40.800 0.157 0.000 1.087 120 D HN 0.345 nan 8.370 nan 0.000 0.510 121 L N 2.534 123.793 121.223 0.059 0.000 2.187 121 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 121 L C 1.683 178.600 176.870 0.077 0.000 1.100 121 L CA 1.310 56.179 54.840 0.050 0.000 0.765 121 L CB -0.602 41.468 42.059 0.019 0.000 0.904 121 L HN 0.279 nan 8.230 nan 0.000 0.437 122 D N -0.926 119.523 120.400 0.080 0.000 2.097 122 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 122 D C 2.368 178.706 176.300 0.064 0.000 0.984 122 D CA 0.816 54.860 54.000 0.073 0.000 0.826 122 D CB -0.079 40.762 40.800 0.068 0.000 0.973 122 D HN 0.176 nan 8.370 nan 0.000 0.460 123 R N 0.479 121.026 120.500 0.078 0.000 2.091 123 R HA -0.080 4.260 4.340 -0.000 0.000 0.238 123 R C 2.170 178.515 176.300 0.074 0.000 1.136 123 R CA 1.176 57.308 56.100 0.053 0.000 0.959 123 R CB -0.336 29.979 30.300 0.026 0.000 0.856 123 R HN 0.129 nan 8.270 nan 0.000 0.437 124 A N 1.011 123.936 122.820 0.176 0.000 1.883 124 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 124 A C 2.361 179.993 177.584 0.079 0.000 1.186 124 A CA 1.922 54.069 52.037 0.184 0.000 0.624 124 A CB -0.631 18.473 19.000 0.173 0.000 0.822 124 A HN 0.425 nan 8.150 nan 0.000 0.444 125 A N -0.446 122.403 122.820 0.048 0.000 1.933 125 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 125 A C 1.950 179.514 177.584 -0.033 0.000 1.175 125 A CA 2.119 54.155 52.037 -0.002 0.000 0.628 125 A CB -0.497 18.501 19.000 -0.003 0.000 0.814 125 A HN 0.627 nan 8.150 nan 0.000 0.444 126 E N 0.132 120.323 120.200 -0.016 0.000 2.012 126 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 126 E C 2.221 178.806 176.600 -0.025 0.000 1.007 126 E CA 1.820 58.203 56.400 -0.029 0.000 0.816 126 E CB -0.305 29.386 29.700 -0.015 0.000 0.762 126 E HN 0.526 nan 8.360 nan 0.000 0.451 127 R N -0.456 120.037 120.500 -0.011 0.000 2.103 127 R HA -0.176 4.163 4.340 -0.000 0.000 0.242 127 R C 2.161 178.465 176.300 0.006 0.000 1.142 127 R CA 1.624 57.718 56.100 -0.011 0.000 0.960 127 R CB -0.394 29.899 30.300 -0.013 0.000 0.858 127 R HN 0.268 nan 8.270 nan 0.000 0.439 128 L N 0.636 121.880 121.223 0.034 0.000 2.093 128 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 128 L C 2.335 179.260 176.870 0.092 0.000 1.085 128 L CA 1.567 56.465 54.840 0.096 0.000 0.755 128 L CB -0.876 41.230 42.059 0.077 0.000 0.904 128 L HN 0.161 nan 8.230 nan 0.000 0.435 129 S N -0.373 115.322 115.700 -0.008 0.000 2.359 129 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 129 S C 2.005 176.593 174.600 -0.021 0.000 1.035 129 S CA 1.229 59.401 58.200 -0.047 0.000 1.018 129 S CB -0.747 62.383 63.200 -0.117 0.000 0.876 129 S HN 0.612 nan 8.310 nan 0.000 0.448 130 G N 1.646 110.429 108.800 -0.028 0.000 2.480 130 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 130 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 130 G C 1.176 176.041 174.900 -0.057 0.000 1.200 130 G CA 0.894 45.971 45.100 -0.038 0.000 0.782 130 G HN 0.403 nan 8.290 nan 0.000 0.554 131 L N -0.157 121.017 121.223 -0.081 0.000 2.362 131 L HA 0.110 4.450 4.340 -0.000 0.000 0.219 131 L C 1.700 178.317 176.870 -0.423 0.000 1.134 131 L CA 1.280 55.982 54.840 -0.231 0.000 0.807 131 L CB -0.358 41.544 42.059 -0.261 0.000 0.927 131 L HN 0.367 nan 8.230 nan 0.000 0.447 132 H N -2.287 116.761 119.070 -0.038 0.000 2.923 132 H HA 0.501 5.057 4.556 -0.000 0.000 0.268 132 H C 0.784 176.104 175.328 -0.013 0.000 1.148 132 H CA 0.075 56.103 56.048 -0.032 0.000 1.146 132 H CB 0.346 30.080 29.762 -0.046 0.000 1.607 132 H HN 0.164 nan 8.280 nan 0.000 0.566 133 A N 1.466 124.318 122.820 0.054 0.000 2.406 133 A HA 0.226 4.545 4.320 -0.000 0.000 0.243 133 A C -0.945 176.663 177.584 0.039 0.000 1.082 133 A CA -0.905 51.154 52.037 0.036 0.000 0.786 133 A CB 0.197 19.196 19.000 -0.001 0.000 1.029 133 A HN 0.193 nan 8.150 nan 0.000 0.495 134 P HA -0.030 nan 4.420 nan 0.000 0.235 134 P C 1.163 178.500 177.300 0.063 0.000 1.177 134 P CA 0.671 63.790 63.100 0.032 0.000 0.785 134 P CB -0.007 31.698 31.700 0.009 0.000 0.885 135 H N 0.659 119.736 119.070 0.012 0.000 2.390 135 H HA -0.043 4.513 4.556 -0.000 0.000 0.298 135 H C -0.055 175.278 175.328 0.009 0.000 1.106 135 H CA 1.221 57.278 56.048 0.015 0.000 1.297 135 H CB -0.007 29.768 29.762 0.021 0.000 1.375 135 H HN -0.085 nan 8.280 nan 0.000 0.509 136 V N 2.354 122.389 119.914 0.202 0.000 2.638 136 V HA 0.386 4.506 4.120 -0.000 0.000 0.306 136 V C -0.107 175.991 176.094 0.006 0.000 1.052 136 V CA -0.959 61.405 62.300 0.107 0.000 0.885 136 V CB 2.474 34.321 31.823 0.039 0.000 0.999 136 V HN 0.107 nan 8.190 nan 0.000 0.424 137 R N 2.458 122.924 120.500 -0.056 0.000 2.393 137 R HA 0.699 5.039 4.340 -0.000 0.000 0.310 137 R C -0.875 175.201 176.300 -0.373 0.000 0.968 137 R CA -0.545 55.424 56.100 -0.218 0.000 0.867 137 R CB 2.320 32.483 30.300 -0.229 0.000 1.124 137 R HN 0.613 nan 8.270 nan 0.000 0.450 138 V N 4.028 123.664 119.914 -0.463 0.000 2.448 138 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 138 V C -1.303 174.465 176.094 -0.543 0.000 1.025 138 V CA -0.543 61.511 62.300 -0.410 0.000 0.859 138 V CB 0.945 32.659 31.823 -0.182 0.000 0.988 138 V HN 0.659 nan 8.190 nan 0.000 0.431 139 Y N 3.558 123.699 120.300 -0.266 0.000 2.618 139 Y HA 0.816 5.366 4.550 -0.000 0.000 0.326 139 Y C 0.679 176.582 175.900 0.005 0.000 1.168 139 Y CA -0.620 57.394 58.100 -0.143 0.000 1.269 139 Y CB 1.935 40.272 38.460 -0.205 0.000 1.388 139 Y HN 0.722 nan 8.280 nan 0.000 0.528 140 S N 0.555 116.446 115.700 0.318 0.000 2.548 140 S HA 0.713 5.183 4.470 -0.000 0.000 0.276 140 S C -1.918 172.906 174.600 0.373 0.000 1.129 140 S CA -0.507 57.845 58.200 0.252 0.000 0.931 140 S CB 0.706 63.992 63.200 0.142 0.000 1.068 140 S HN 0.664 nan 8.310 nan 0.000 0.480 141 Y N -0.222 120.181 120.300 0.171 0.000 2.620 141 Y HA 0.616 5.166 4.550 -0.000 0.000 0.331 141 Y C -0.734 175.223 175.900 0.096 0.000 1.173 141 Y CA -0.916 57.264 58.100 0.134 0.000 1.076 141 Y CB 0.893 39.447 38.460 0.157 0.000 1.336 141 Y HN 0.497 nan 8.280 nan 0.000 0.459 142 T N 1.107 115.764 114.554 0.173 0.000 2.856 142 T HA 0.529 4.879 4.350 -0.000 0.000 0.292 142 T C 0.648 175.405 174.700 0.095 0.000 0.980 142 T CA 0.316 62.446 62.100 0.051 0.000 1.091 142 T CB 0.388 69.297 68.868 0.069 0.000 0.936 142 T HN 1.185 nan 8.240 nan 0.000 0.503 143 G N 2.751 111.533 108.800 -0.031 0.000 3.735 143 G HA2 0.273 4.232 3.960 -0.000 0.000 0.283 143 G HA3 0.273 4.232 3.960 -0.000 0.000 0.283 143 G C 0.403 175.300 174.900 -0.005 0.000 1.007 143 G CA -0.142 44.964 45.100 0.010 0.000 0.821 143 G HN 0.870 nan 8.290 nan 0.000 0.505 144 S N -0.603 115.097 115.700 0.001 0.000 2.593 144 S HA 0.443 4.913 4.470 -0.000 0.000 0.269 144 S C 1.749 176.364 174.600 0.026 0.000 1.334 144 S CA 0.262 58.465 58.200 0.004 0.000 1.015 144 S CB 1.662 64.865 63.200 0.005 0.000 0.912 144 S HN 0.264 nan 8.310 nan 0.000 0.541 145 G N 0.727 109.544 108.800 0.028 0.000 2.442 145 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 145 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 145 G C 1.200 176.126 174.900 0.045 0.000 1.141 145 G CA 0.828 45.955 45.100 0.044 0.000 0.763 145 G HN 0.692 nan 8.290 nan 0.000 0.554 146 L N 0.938 122.183 121.223 0.036 0.000 2.081 146 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 146 L C 1.545 178.441 176.870 0.044 0.000 1.080 146 L CA 1.646 56.509 54.840 0.037 0.000 0.754 146 L CB -0.289 41.788 42.059 0.031 0.000 0.893 146 L HN 0.315 nan 8.230 nan 0.000 0.433 147 D N -3.492 116.934 120.400 0.042 0.000 2.540 147 D HA 0.129 4.769 4.640 -0.000 0.000 0.229 147 D C 0.279 176.603 176.300 0.039 0.000 1.250 147 D CA 0.080 54.105 54.000 0.042 0.000 0.817 147 D CB 0.711 41.535 40.800 0.040 0.000 1.060 147 D HN -0.061 nan 8.370 nan 0.000 0.508 148 T N -0.042 114.542 114.554 0.048 0.000 3.032 148 T HA 0.380 4.730 4.350 -0.000 0.000 0.312 148 T C -1.223 173.525 174.700 0.080 0.000 1.078 148 T CA -0.275 61.855 62.100 0.049 0.000 1.028 148 T CB 2.109 71.007 68.868 0.050 0.000 1.091 148 T HN -0.238 nan 8.240 nan 0.000 0.457 149 T N 4.897 119.508 114.554 0.095 0.000 2.770 149 T HA 0.479 4.829 4.350 -0.000 0.000 0.297 149 T C 0.304 175.141 174.700 0.230 0.000 0.997 149 T CA -0.240 61.959 62.100 0.163 0.000 0.949 149 T CB 0.251 69.222 68.868 0.171 0.000 0.941 149 T HN 0.601 nan 8.240 nan 0.000 0.457 150 F N 3.114 123.108 119.950 0.074 0.000 2.636 150 F HA -0.423 4.104 4.527 -0.000 0.000 0.222 150 F C 2.365 178.174 175.800 0.015 0.000 1.471 150 F CA 2.829 60.887 58.000 0.096 0.000 1.965 150 F CB -1.772 37.325 39.000 0.161 0.000 0.463 150 F HN 0.609 nan 8.300 nan 0.000 0.244 151 T N -0.628 113.665 114.554 -0.435 0.000 2.869 151 T HA -0.254 4.096 4.350 -0.000 0.000 0.270 151 T C 1.715 176.095 174.700 -0.533 0.000 1.082 151 T CA 1.935 63.562 62.100 -0.789 0.000 1.123 151 T CB -0.642 67.154 68.868 -1.785 0.000 0.856 151 T HN 0.675 nan 8.240 nan 0.000 0.499 152 Q N 0.834 120.503 119.800 -0.217 0.000 2.297 152 Q HA -0.041 4.299 4.340 -0.000 0.000 0.208 152 Q C 2.466 178.440 176.000 -0.043 0.000 0.981 152 Q CA 1.274 57.033 55.803 -0.073 0.000 0.876 152 Q CB -0.713 28.009 28.738 -0.026 0.000 0.921 152 Q HN 0.782 nan 8.270 nan 0.000 0.446 153 G N 0.297 109.061 108.800 -0.059 0.000 2.443 153 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 153 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 153 G C 1.102 175.937 174.900 -0.109 0.000 1.131 153 G CA 0.796 45.877 45.100 -0.031 0.000 0.775 153 G HN 0.463 nan 8.290 nan 0.000 0.547 154 E N 0.351 120.484 120.200 -0.112 0.000 2.072 154 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 154 E C 1.996 178.586 176.600 -0.017 0.000 0.985 154 E CA 1.218 57.600 56.400 -0.031 0.000 0.801 154 E CB -0.146 29.720 29.700 0.276 0.000 0.750 154 E HN 0.339 nan 8.360 nan 0.000 0.452 155 D N -0.414 120.023 120.400 0.062 0.000 2.097 155 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 155 D C 2.059 178.335 176.300 -0.041 0.000 0.989 155 D CA 2.477 56.514 54.000 0.062 0.000 0.827 155 D CB -0.286 40.577 40.800 0.106 0.000 0.966 155 D HN 0.340 nan 8.370 nan 0.000 0.456 156 T N -2.017 112.499 114.554 -0.063 0.000 2.867 156 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 156 T C 2.478 177.000 174.700 -0.297 0.000 1.057 156 T CA 1.195 63.263 62.100 -0.054 0.000 1.136 156 T CB -1.209 67.729 68.868 0.117 0.000 0.874 156 T HN 0.355 nan 8.240 nan 0.000 0.466 157 C N 1.269 120.128 119.300 -0.735 0.000 2.436 157 C HA 0.079 4.539 4.460 -0.000 0.000 0.277 157 C C 2.675 177.411 174.990 -0.422 0.000 1.241 157 C CA 0.622 58.943 59.018 -1.161 0.000 1.721 157 C CB -1.630 25.426 27.740 -1.139 0.000 2.043 157 C HN 0.649 nan 8.230 nan 0.000 0.472 158 L N 1.373 122.447 121.223 -0.248 0.000 2.056 158 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 158 L C 3.088 179.903 176.870 -0.092 0.000 1.078 158 L CA 1.627 56.392 54.840 -0.125 0.000 0.749 158 L CB -0.897 41.121 42.059 -0.068 0.000 0.901 158 L HN 0.462 nan 8.230 nan 0.000 0.433 159 A N 0.145 122.919 122.820 -0.078 0.000 2.024 159 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 159 A C 2.477 180.059 177.584 -0.003 0.000 1.164 159 A CA 1.761 53.776 52.037 -0.037 0.000 0.643 159 A CB -0.580 18.412 19.000 -0.014 0.000 0.806 159 A HN 0.425 nan 8.150 nan 0.000 0.451 160 A N -1.215 121.606 122.820 0.001 0.000 2.014 160 A HA 0.078 4.397 4.320 -0.000 0.000 0.218 160 A C 2.155 179.789 177.584 0.084 0.000 1.163 160 A CA 1.418 53.510 52.037 0.091 0.000 0.652 160 A CB -0.383 18.732 19.000 0.192 0.000 0.808 160 A HN 0.514 nan 8.150 nan 0.000 0.449 161 M N -0.999 118.581 119.600 -0.033 0.000 2.288 161 M HA -0.076 4.403 4.480 -0.000 0.000 0.266 161 M C 2.029 178.331 176.300 0.003 0.000 1.072 161 M CA 0.836 56.075 55.300 -0.101 0.000 1.132 161 M CB -0.174 32.319 32.600 -0.179 0.000 1.386 161 M HN 0.258 nan 8.290 nan 0.000 0.432 162 V N 1.224 121.131 119.914 -0.011 0.000 2.252 162 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 162 V C -0.662 175.441 176.094 0.016 0.000 1.056 162 V CA 2.224 64.514 62.300 -0.016 0.000 1.022 162 V CB -1.940 29.852 31.823 -0.051 0.000 0.641 162 V HN 0.294 nan 8.190 nan 0.000 0.445 163 P HA -0.169 nan 4.420 nan 0.000 0.217 163 P C 1.748 179.082 177.300 0.057 0.000 1.148 163 P CA 2.294 65.421 63.100 0.046 0.000 0.828 163 P CB -0.233 31.504 31.700 0.061 0.000 0.783 164 T N -3.794 110.814 114.554 0.090 0.000 3.107 164 T HA 0.102 4.452 4.350 -0.000 0.000 0.249 164 T C 0.704 175.454 174.700 0.083 0.000 1.096 164 T CA -0.106 62.055 62.100 0.102 0.000 1.012 164 T CB -0.775 68.203 68.868 0.184 0.000 0.977 164 T HN -0.112 nan 8.240 nan 0.000 0.527 165 L N 2.260 123.520 121.223 0.061 0.000 2.483 165 L HA 0.227 4.567 4.340 -0.000 0.000 0.275 165 L C 0.410 177.300 176.870 0.033 0.000 1.220 165 L CA -0.440 54.425 54.840 0.043 0.000 0.833 165 L CB 0.170 42.241 42.059 0.020 0.000 1.102 165 L HN 0.224 nan 8.230 nan 0.000 0.490 166 D N 0.824 121.242 120.400 0.030 0.000 2.472 166 D HA -0.001 4.638 4.640 -0.000 0.000 0.237 166 D C 0.249 176.562 176.300 0.021 0.000 1.141 166 D CA 0.330 54.344 54.000 0.025 0.000 0.875 166 D CB 0.849 41.662 40.800 0.023 0.000 1.192 166 D HN 0.431 nan 8.370 nan 0.000 0.450 167 T N 0.712 115.278 114.554 0.020 0.000 2.889 167 T HA 0.469 4.818 4.350 -0.000 0.000 0.291 167 T C -0.197 174.514 174.700 0.019 0.000 0.995 167 T CA -0.206 61.905 62.100 0.019 0.000 1.092 167 T CB 0.828 69.706 68.868 0.018 0.000 0.954 167 T HN 0.296 nan 8.240 nan 0.000 0.506 168 T N 2.067 116.634 114.554 0.021 0.000 2.816 168 T HA 0.410 4.760 4.350 -0.000 0.000 0.299 168 T C -0.088 174.626 174.700 0.023 0.000 1.230 168 T CA -0.569 61.544 62.100 0.022 0.000 1.007 168 T CB 1.933 70.816 68.868 0.025 0.000 1.289 168 T HN 0.770 nan 8.240 nan 0.000 0.508 169 E N 0.603 120.816 120.200 0.022 0.000 2.562 169 E HA 0.459 4.809 4.350 -0.000 0.000 0.214 169 E C 0.372 176.986 176.600 0.023 0.000 0.979 169 E CA -0.279 56.134 56.400 0.020 0.000 1.002 169 E CB 0.399 30.108 29.700 0.015 0.000 1.048 169 E HN 0.721 nan 8.360 nan 0.000 0.488 170 A N 1.007 123.844 122.820 0.028 0.000 2.440 170 A HA 0.527 4.846 4.320 -0.000 0.000 0.251 170 A C 0.303 177.913 177.584 0.042 0.000 1.089 170 A CA 0.261 52.318 52.037 0.033 0.000 0.779 170 A CB 0.543 19.564 19.000 0.035 0.000 1.022 170 A HN 0.288 nan 8.150 nan 0.000 0.492 171 A N 3.221 126.068 122.820 0.044 0.000 2.544 171 A HA 0.489 4.809 4.320 -0.000 0.000 0.301 171 A C 0.243 177.892 177.584 0.109 0.000 1.368 171 A CA -0.054 52.017 52.037 0.058 0.000 1.045 171 A CB -0.369 18.645 19.000 0.023 0.000 1.129 171 A HN 0.852 nan 8.150 nan 0.000 0.540 172 E N 1.139 121.409 120.200 0.116 0.000 2.359 172 E HA 0.500 4.850 4.350 -0.000 0.000 0.266 172 E C -1.215 175.480 176.600 0.159 0.000 0.920 172 E CA -0.874 55.603 56.400 0.129 0.000 0.788 172 E CB 2.067 31.816 29.700 0.081 0.000 1.279 172 E HN 0.531 nan 8.360 nan 0.000 0.438 173 L N 3.252 124.548 121.223 0.123 0.000 2.307 173 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 173 L C -1.142 175.783 176.870 0.092 0.000 1.023 173 L CA -0.463 54.442 54.840 0.109 0.000 0.810 173 L CB 0.725 42.774 42.059 -0.016 0.000 1.231 173 L HN 0.553 nan 8.230 nan 0.000 0.423 174 I N 5.261 125.915 120.570 0.139 0.000 2.378 174 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 174 I C -0.251 175.969 176.117 0.172 0.000 0.992 174 I CA -0.839 60.543 61.300 0.136 0.000 1.154 174 I CB 2.002 40.077 38.000 0.125 0.000 1.315 174 I HN 0.200 nan 8.210 nan 0.000 0.448 175 V N 7.203 127.208 119.914 0.152 0.000 2.383 175 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 175 V C 0.184 176.377 176.094 0.166 0.000 1.036 175 V CA -0.579 61.851 62.300 0.217 0.000 0.889 175 V CB 1.463 33.443 31.823 0.261 0.000 0.985 175 V HN 0.413 nan 8.190 nan 0.000 0.459 176 V N 3.810 123.841 119.914 0.195 0.000 2.427 176 V HA 0.956 5.076 4.120 -0.000 0.000 0.286 176 V C 0.548 176.692 176.094 0.083 0.000 1.034 176 V CA 0.093 62.465 62.300 0.121 0.000 0.893 176 V CB 0.929 32.825 31.823 0.122 0.000 0.982 176 V HN 1.242 nan 8.190 nan 0.000 0.452 177 G N 3.402 112.224 108.800 0.037 0.000 2.957 177 G HA2 0.436 4.396 3.960 -0.000 0.000 0.636 177 G HA3 0.436 4.396 3.960 -0.000 0.000 0.636 177 G C -0.403 174.492 174.900 -0.008 0.000 1.401 177 G CA -0.469 44.633 45.100 0.003 0.000 0.941 177 G HN 1.376 nan 8.290 nan 0.000 0.610 178 A N 2.220 125.074 122.820 0.057 0.000 2.537 178 A HA 0.597 4.917 4.320 -0.000 0.000 0.260 178 A C 0.637 178.185 177.584 -0.059 0.000 1.082 178 A CA 0.491 52.558 52.037 0.051 0.000 0.765 178 A CB -0.011 19.104 19.000 0.192 0.000 1.019 178 A HN 1.182 nan 8.150 nan 0.000 0.507 179 L N 3.712 124.873 121.223 -0.104 0.000 2.323 179 L HA 0.454 4.794 4.340 -0.000 0.000 0.265 179 L C -2.209 174.598 176.870 -0.105 0.000 1.012 179 L CA -2.459 52.273 54.840 -0.180 0.000 0.820 179 L CB 2.109 44.004 42.059 -0.273 0.000 1.334 179 L HN 0.392 nan 8.230 nan 0.000 0.427 180 P HA -0.027 nan 4.420 nan 0.000 0.266 180 P C -0.511 176.749 177.300 -0.068 0.000 1.186 180 P CA 0.185 63.257 63.100 -0.047 0.000 0.767 180 P CB 0.517 32.200 31.700 -0.028 0.000 0.820 181 D N 0.784 121.158 120.400 -0.044 0.000 2.144 181 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 181 D C 1.673 177.931 176.300 -0.070 0.000 0.984 181 D CA 1.249 55.217 54.000 -0.052 0.000 0.834 181 D CB -0.428 40.354 40.800 -0.029 0.000 0.955 181 D HN 0.198 nan 8.370 nan 0.000 0.465 182 V N -0.921 118.959 119.914 -0.057 0.000 2.407 182 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 182 V C 2.222 178.247 176.094 -0.115 0.000 1.055 182 V CA 1.023 63.285 62.300 -0.064 0.000 1.049 182 V CB -0.977 30.826 31.823 -0.033 0.000 0.662 182 V HN 0.083 nan 8.190 nan 0.000 0.455 183 V N 0.321 120.152 119.914 -0.139 0.000 2.323 183 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 183 V C 2.714 178.569 176.094 -0.398 0.000 1.041 183 V CA 2.280 64.435 62.300 -0.242 0.000 1.025 183 V CB -0.654 31.063 31.823 -0.177 0.000 0.656 183 V HN 0.624 nan 8.190 nan 0.000 0.451 184 E N 0.046 120.074 120.200 -0.286 0.000 2.130 184 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 184 E C 1.797 178.252 176.600 -0.242 0.000 0.998 184 E CA 1.823 58.064 56.400 -0.265 0.000 0.806 184 E CB -0.024 29.584 29.700 -0.152 0.000 0.738 184 E HN 0.630 nan 8.360 nan 0.000 0.459 185 D N -0.001 120.287 120.400 -0.187 0.000 2.103 185 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 185 D C 2.001 178.202 176.300 -0.165 0.000 0.978 185 D CA 0.883 54.800 54.000 -0.139 0.000 0.829 185 D CB -0.214 40.531 40.800 -0.092 0.000 0.981 185 D HN 0.212 nan 8.370 nan 0.000 0.464 186 Q N -0.171 119.503 119.800 -0.210 0.000 2.096 186 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 186 Q C 2.340 178.174 176.000 -0.276 0.000 0.982 186 Q CA 1.193 56.880 55.803 -0.193 0.000 0.850 186 Q CB -0.336 28.296 28.738 -0.177 0.000 0.901 186 Q HN 0.345 nan 8.270 nan 0.000 0.422 187 C N 0.175 119.134 119.300 -0.568 0.000 2.413 187 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 187 C C 2.435 177.319 174.990 -0.176 0.000 1.228 187 C CA 0.599 59.245 59.018 -0.619 0.000 1.731 187 C CB -0.960 26.197 27.740 -0.971 0.000 2.042 187 C HN 0.482 nan 8.230 nan 0.000 0.468 188 L N 1.049 122.177 121.223 -0.158 0.000 2.046 188 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 188 L C 2.905 179.749 176.870 -0.043 0.000 1.077 188 L CA 2.322 57.120 54.840 -0.070 0.000 0.747 188 L CB -1.443 40.572 42.059 -0.073 0.000 0.896 188 L HN 0.533 nan 8.230 nan 0.000 0.432 189 S N -0.872 114.796 115.700 -0.053 0.000 2.354 189 S HA -0.198 4.272 4.470 -0.000 0.000 0.219 189 S C 2.107 176.706 174.600 -0.002 0.000 1.035 189 S CA 1.670 59.853 58.200 -0.027 0.000 1.037 189 S CB -0.334 62.848 63.200 -0.030 0.000 0.956 189 S HN 0.382 nan 8.310 nan 0.000 0.428 190 L N 1.141 122.376 121.223 0.021 0.000 2.043 190 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 190 L C 2.476 179.380 176.870 0.058 0.000 1.075 190 L CA 1.377 56.255 54.840 0.064 0.000 0.752 190 L CB -0.607 41.542 42.059 0.150 0.000 0.891 190 L HN 0.354 nan 8.230 nan 0.000 0.432 191 L N -1.276 119.983 121.223 0.059 0.000 2.093 191 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 191 L C 2.583 179.445 176.870 -0.014 0.000 1.085 191 L CA 1.311 56.168 54.840 0.029 0.000 0.755 191 L CB -0.832 41.241 42.059 0.023 0.000 0.904 191 L HN 0.251 nan 8.230 nan 0.000 0.435 192 T N -1.029 113.518 114.554 -0.012 0.000 2.777 192 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 192 T C 1.914 176.609 174.700 -0.008 0.000 1.040 192 T CA 1.225 63.315 62.100 -0.017 0.000 1.141 192 T CB -0.114 68.745 68.868 -0.015 0.000 0.868 192 T HN 0.353 nan 8.240 nan 0.000 0.444 193 Q N 0.175 119.975 119.800 -0.001 0.000 2.170 193 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 193 Q C 2.134 178.138 176.000 0.007 0.000 0.976 193 Q CA 0.929 56.732 55.803 0.000 0.000 0.858 193 Q CB -0.234 28.502 28.738 -0.004 0.000 0.907 193 Q HN 0.455 nan 8.270 nan 0.000 0.433 194 L N -1.068 120.165 121.223 0.016 0.000 2.478 194 L HA 0.038 4.378 4.340 -0.000 0.000 0.223 194 L C 1.093 177.982 176.870 0.031 0.000 1.140 194 L CA 0.542 55.406 54.840 0.040 0.000 0.842 194 L CB -0.087 42.016 42.059 0.074 0.000 0.953 194 L HN 0.464 nan 8.230 nan 0.000 0.452 195 G N 0.666 109.469 108.800 0.005 0.000 2.137 195 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.237 195 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.237 195 G C 0.212 175.094 174.900 -0.031 0.000 1.002 195 G CA 0.183 45.283 45.100 0.001 0.000 0.702 195 G HN 0.262 nan 8.290 nan 0.000 0.515 196 V N -1.350 118.504 119.914 -0.101 0.000 2.509 196 V HA 0.992 5.112 4.120 -0.000 0.000 0.284 196 V C 0.555 176.538 176.094 -0.185 0.000 1.047 196 V CA 0.428 62.571 62.300 -0.262 0.000 0.952 196 V CB 1.628 33.107 31.823 -0.574 0.000 0.988 196 V HN 1.816 nan 8.190 nan 0.000 0.469 197 G N 4.303 113.013 108.800 -0.150 0.000 2.547 197 G HA2 0.647 4.607 3.960 -0.000 0.000 0.291 197 G HA3 0.647 4.607 3.960 -0.000 0.000 0.291 197 G C -3.248 171.652 174.900 -0.000 0.000 1.471 197 G CA -0.606 44.458 45.100 -0.062 0.000 0.798 197 G HN 0.833 nan 8.290 nan 0.000 0.504 198 P HA 0.636 nan 4.420 nan 0.000 0.279 198 P C -0.820 176.475 177.300 -0.009 0.000 1.252 198 P CA -0.701 62.397 63.100 -0.003 0.000 0.811 198 P CB 2.006 33.712 31.700 0.011 0.000 1.035 199 V N 1.610 121.515 119.914 -0.015 0.000 2.656 199 V HA 0.669 4.788 4.120 -0.000 0.000 0.307 199 V C -0.951 175.149 176.094 0.010 0.000 1.051 199 V CA -0.745 61.550 62.300 -0.008 0.000 0.893 199 V CB 1.838 33.642 31.823 -0.031 0.000 0.999 199 V HN 0.594 nan 8.190 nan 0.000 0.426 200 R N 6.417 126.933 120.500 0.026 0.000 2.795 200 R HA 0.694 5.034 4.340 -0.000 0.000 0.275 200 R C -1.190 175.132 176.300 0.037 0.000 0.981 200 R CA -1.058 55.058 56.100 0.026 0.000 0.917 200 R CB 2.124 32.441 30.300 0.027 0.000 1.202 200 R HN 0.597 nan 8.270 nan 0.000 0.469 201 M N 1.941 121.557 119.600 0.027 0.000 2.367 201 M HA 0.396 4.876 4.480 -0.000 0.000 0.339 201 M C -0.731 175.586 176.300 0.028 0.000 1.177 201 M CA -1.022 54.296 55.300 0.031 0.000 1.068 201 M CB 1.088 33.696 32.600 0.013 0.000 1.602 201 M HN 0.380 nan 8.290 nan 0.000 0.457 202 L N 5.712 126.954 121.223 0.031 0.000 2.342 202 L HA 0.594 4.934 4.340 -0.000 0.000 0.276 202 L C -2.413 174.471 176.870 0.022 0.000 0.997 202 L CA -1.351 53.499 54.840 0.016 0.000 0.838 202 L CB 1.699 43.755 42.059 -0.005 0.000 1.224 202 L HN 0.372 nan 8.230 nan 0.000 0.416 203 P HA 0.391 nan 4.420 nan 0.000 0.279 203 P C -1.115 176.203 177.300 0.030 0.000 1.252 203 P CA -0.564 62.553 63.100 0.027 0.000 0.811 203 P CB 1.288 33.012 31.700 0.040 0.000 1.035 204 A N 2.077 124.917 122.820 0.032 0.000 2.271 204 A HA 0.283 4.602 4.320 -0.000 0.000 0.288 204 A C 1.563 179.170 177.584 0.039 0.000 1.094 204 A CA -0.480 51.575 52.037 0.030 0.000 0.828 204 A CB 0.078 19.096 19.000 0.029 0.000 1.091 204 A HN 0.483 nan 8.150 nan 0.000 0.493 205 R N -0.586 119.933 120.500 0.031 0.000 2.127 205 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 205 R C 0.463 176.793 176.300 0.050 0.000 1.134 205 R CA 1.345 57.467 56.100 0.036 0.000 0.975 205 R CB -0.031 30.283 30.300 0.023 0.000 0.865 205 R HN 0.666 nan 8.270 nan 0.000 0.447 206 R N -1.634 118.895 120.500 0.049 0.000 2.837 206 R HA 0.128 4.468 4.340 -0.000 0.000 0.271 206 R C 0.913 177.248 176.300 0.058 0.000 0.993 206 R CA -0.073 56.062 56.100 0.057 0.000 0.931 206 R CB 1.714 32.040 30.300 0.044 0.000 1.206 206 R HN 0.018 nan 8.270 nan 0.000 0.474 207 S N -0.317 115.423 115.700 0.067 0.000 2.453 207 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 207 S C 1.157 175.787 174.600 0.049 0.000 1.005 207 S CA 1.533 59.774 58.200 0.068 0.000 0.949 207 S CB -0.107 63.144 63.200 0.085 0.000 0.774 207 S HN 0.761 nan 8.310 nan 0.000 0.510 208 D N 2.452 122.874 120.400 0.036 0.000 2.347 208 D HA -0.033 4.607 4.640 -0.000 0.000 0.213 208 D C 1.212 177.525 176.300 0.022 0.000 0.985 208 D CA 0.358 54.371 54.000 0.022 0.000 0.879 208 D CB -0.590 40.216 40.800 0.010 0.000 0.919 208 D HN 0.771 nan 8.370 nan 0.000 0.526 209 I N -2.223 118.363 120.570 0.026 0.000 3.399 209 I HA 0.345 4.515 4.170 -0.000 0.000 0.345 209 I C -0.408 175.724 176.117 0.025 0.000 1.512 209 I CA -0.861 60.453 61.300 0.023 0.000 1.047 209 I CB 0.169 38.181 38.000 0.019 0.000 1.552 209 I HN -0.374 nan 8.210 nan 0.000 0.494 210 E N 2.979 123.196 120.200 0.029 0.000 2.404 210 E HA 0.266 4.616 4.350 -0.000 0.000 0.261 210 E C -2.024 174.590 176.600 0.023 0.000 1.074 210 E CA -1.360 55.056 56.400 0.027 0.000 0.917 210 E CB 0.115 29.834 29.700 0.031 0.000 0.965 210 E HN 0.241 nan 8.360 nan 0.000 0.433 211 P HA 0.160 nan 4.420 nan 0.000 0.273 211 P C -1.011 176.301 177.300 0.020 0.000 1.250 211 P CA -0.242 62.871 63.100 0.021 0.000 0.793 211 P CB 0.589 32.302 31.700 0.021 0.000 1.011 212 A N 0.430 123.264 122.820 0.024 0.000 2.311 212 A HA 0.694 5.013 4.320 -0.000 0.000 0.334 212 A C -0.569 177.029 177.584 0.024 0.000 1.139 212 A CA -0.509 51.541 52.037 0.023 0.000 0.830 212 A CB 0.805 19.820 19.000 0.024 0.000 1.234 212 A HN 0.364 nan 8.150 nan 0.000 0.483 213 V N -1.268 118.658 119.914 0.020 0.000 2.823 213 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 213 V C 0.193 176.303 176.094 0.027 0.000 1.072 213 V CA 0.038 62.351 62.300 0.021 0.000 0.937 213 V CB 1.147 32.970 31.823 0.000 0.000 1.013 213 V HN 1.779 nan 8.190 nan 0.000 0.430 214 G N 1.553 110.374 108.800 0.036 0.000 2.550 214 G HA2 0.646 4.606 3.960 -0.000 0.000 0.293 214 G HA3 0.646 4.606 3.960 -0.000 0.000 0.293 214 G C -2.756 172.169 174.900 0.041 0.000 1.402 214 G CA -0.407 44.714 45.100 0.034 0.000 0.784 214 G HN 0.459 nan 8.290 nan 0.000 0.482 215 P HA -0.049 nan 4.420 nan 0.000 0.225 215 P C 0.628 177.946 177.300 0.030 0.000 1.148 215 P CA 0.984 64.103 63.100 0.032 0.000 0.779 215 P CB 0.083 31.796 31.700 0.022 0.000 0.780 216 N N -1.645 117.072 118.700 0.029 0.000 2.203 216 N HA 0.052 4.792 4.740 -0.000 0.000 0.207 216 N C -0.087 175.446 175.510 0.038 0.000 1.130 216 N CA -0.009 53.053 53.050 0.020 0.000 0.861 216 N CB 0.027 38.521 38.487 0.011 0.000 1.005 216 N HN -0.064 nan 8.380 nan 0.000 0.507 217 T N 1.585 116.179 114.554 0.067 0.000 2.884 217 T HA 0.226 4.576 4.350 -0.000 0.000 0.298 217 T C 0.215 174.997 174.700 0.136 0.000 0.998 217 T CA -0.073 62.089 62.100 0.104 0.000 1.124 217 T CB 0.732 69.667 68.868 0.111 0.000 0.931 217 T HN 0.013 nan 8.240 nan 0.000 0.531 218 R N 2.455 123.041 120.500 0.143 0.000 2.514 218 R HA 0.541 4.881 4.340 -0.000 0.000 0.301 218 R C -0.847 175.570 176.300 0.195 0.000 0.962 218 R CA -0.623 55.544 56.100 0.112 0.000 0.882 218 R CB 1.446 31.776 30.300 0.051 0.000 1.143 218 R HN 0.678 nan 8.270 nan 0.000 0.452 219 F N 0.518 120.472 119.950 0.007 0.000 2.576 219 F HA 0.727 5.254 4.527 -0.000 0.000 0.313 219 F C -0.820 174.955 175.800 -0.042 0.000 1.078 219 F CA -1.376 56.623 58.000 -0.001 0.000 0.921 219 F CB 1.326 40.334 39.000 0.014 0.000 1.232 219 F HN 0.421 nan 8.300 nan 0.000 0.459 220 I N 3.805 124.387 120.570 0.020 0.000 2.647 220 I HA 0.533 4.703 4.170 -0.000 0.000 0.295 220 I C -1.612 174.600 176.117 0.158 0.000 1.078 220 I CA -1.119 60.101 61.300 -0.133 0.000 1.048 220 I CB 1.995 39.728 38.000 -0.444 0.000 1.239 220 I HN 0.724 nan 8.210 nan 0.000 0.421 221 L N 7.204 128.528 121.223 0.168 0.000 2.292 221 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 221 L C 0.977 178.171 176.870 0.539 0.000 1.065 221 L CA -0.336 54.716 54.840 0.352 0.000 0.806 221 L CB 1.574 43.863 42.059 0.384 0.000 1.175 221 L HN 0.784 nan 8.230 nan 0.000 0.431 222 A N 2.543 125.602 122.820 0.399 0.000 2.147 222 A HA 0.149 4.469 4.320 -0.000 0.000 0.211 222 A C 0.642 178.311 177.584 0.142 0.000 1.160 222 A CA 0.477 52.626 52.037 0.186 0.000 0.781 222 A CB 0.231 19.200 19.000 -0.051 0.000 0.842 222 A HN 0.706 nan 8.150 nan 0.000 0.475 223 Q N -0.839 118.970 119.800 0.015 0.000 2.323 223 Q HA 0.263 4.603 4.340 -0.000 0.000 0.271 223 Q C -2.385 173.065 176.000 -0.917 0.000 1.048 223 Q CA -1.958 53.469 55.803 -0.627 0.000 0.792 223 Q CB 2.427 30.499 28.738 -1.109 0.000 1.280 223 Q HN 0.094 nan 8.270 nan 0.000 0.441 224 P HA -0.112 nan 4.420 nan 0.000 0.222 224 P C 0.610 177.711 177.300 -0.333 0.000 1.147 224 P CA 1.187 63.673 63.100 -1.024 0.000 0.790 224 P CB -0.088 31.158 31.700 -0.757 0.000 0.780 225 F N -1.953 117.929 119.950 -0.115 0.000 2.701 225 F HA 0.365 4.892 4.527 -0.000 0.000 0.295 225 F C 0.832 176.633 175.800 0.000 0.000 1.165 225 F CA -0.505 57.485 58.000 -0.018 0.000 1.399 225 F CB -1.026 37.955 39.000 -0.031 0.000 0.996 225 F HN -0.301 nan 8.300 nan 0.000 0.513 226 L N 0.898 122.147 121.223 0.044 0.000 3.034 226 L HA 0.414 4.754 4.340 -0.000 0.000 0.245 226 L C 1.962 178.860 176.870 0.047 0.000 1.295 226 L CA -0.254 54.626 54.840 0.066 0.000 1.068 226 L CB 0.034 42.108 42.059 0.026 0.000 1.426 226 L HN 0.461 nan 8.230 nan 0.000 0.531 227 G N 0.096 108.927 108.800 0.051 0.000 2.514 227 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 227 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 227 G C 1.357 176.312 174.900 0.091 0.000 1.198 227 G CA 0.539 45.677 45.100 0.063 0.000 0.780 227 G HN 0.366 nan 8.290 nan 0.000 0.565 228 E N 0.088 120.323 120.200 0.058 0.000 2.058 228 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 228 E C 2.842 179.457 176.600 0.025 0.000 0.997 228 E CA 1.673 58.100 56.400 0.044 0.000 0.801 228 E CB -0.532 29.179 29.700 0.018 0.000 0.746 228 E HN 0.395 nan 8.360 nan 0.000 0.450 229 T N 0.855 115.412 114.554 0.005 0.000 2.746 229 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 229 T C 2.018 176.664 174.700 -0.090 0.000 1.039 229 T CA 1.748 63.820 62.100 -0.046 0.000 1.142 229 T CB -0.485 68.354 68.868 -0.047 0.000 0.866 229 T HN 0.176 nan 8.240 nan 0.000 0.444 230 T N 1.470 116.020 114.554 -0.005 0.000 2.635 230 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 230 T C 2.298 177.046 174.700 0.079 0.000 1.040 230 T CA 1.491 63.643 62.100 0.086 0.000 1.156 230 T CB -1.074 67.915 68.868 0.201 0.000 0.863 230 T HN 0.533 nan 8.240 nan 0.000 0.430 231 G N 1.143 109.998 108.800 0.091 0.000 2.476 231 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 231 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 231 G C 1.813 176.739 174.900 0.043 0.000 1.164 231 G CA 1.058 46.214 45.100 0.093 0.000 0.768 231 G HN 0.625 nan 8.290 nan 0.000 0.560 232 A N 0.094 122.914 122.820 0.001 0.000 1.968 232 A HA 0.252 4.572 4.320 -0.000 0.000 0.217 232 A C 2.426 179.976 177.584 -0.056 0.000 1.169 232 A CA 0.953 52.981 52.037 -0.016 0.000 0.638 232 A CB -0.258 18.730 19.000 -0.019 0.000 0.812 232 A HN 0.357 nan 8.150 nan 0.000 0.446 233 L N -0.731 120.402 121.223 -0.150 0.000 2.056 233 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 233 L C 2.564 179.397 176.870 -0.062 0.000 1.078 233 L CA 1.449 56.141 54.840 -0.247 0.000 0.749 233 L CB -0.513 41.083 42.059 -0.772 0.000 0.901 233 L HN 0.471 nan 8.230 nan 0.000 0.433 234 E N -0.100 120.127 120.200 0.046 0.000 2.072 234 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 234 E C 2.205 178.853 176.600 0.080 0.000 0.985 234 E CA 0.754 57.237 56.400 0.139 0.000 0.801 234 E CB -0.088 29.720 29.700 0.180 0.000 0.750 234 E HN 0.281 nan 8.360 nan 0.000 0.452 235 R N 0.761 121.294 120.500 0.054 0.000 2.170 235 R HA -0.132 4.208 4.340 -0.000 0.000 0.242 235 R C 1.791 178.111 176.300 0.033 0.000 1.145 235 R CA 1.125 57.251 56.100 0.042 0.000 0.984 235 R CB 0.157 30.478 30.300 0.035 0.000 0.869 235 R HN -0.046 nan 8.270 nan 0.000 0.455 236 R N -1.437 119.078 120.500 0.025 0.000 2.300 236 R HA 0.132 4.472 4.340 -0.000 0.000 0.199 236 R C 1.024 177.346 176.300 0.035 0.000 0.920 236 R CA 0.863 56.977 56.100 0.023 0.000 1.046 236 R CB 0.904 31.208 30.300 0.006 0.000 0.984 236 R HN 0.509 nan 8.270 nan 0.000 0.493 237 G N -0.137 108.694 108.800 0.052 0.000 2.184 237 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.206 237 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.206 237 G C 0.224 175.177 174.900 0.088 0.000 0.995 237 G CA 0.003 45.139 45.100 0.060 0.000 0.651 237 G HN 0.527 nan 8.290 nan 0.000 0.511 238 A N 0.020 122.918 122.820 0.131 0.000 2.322 238 A HA 0.732 5.051 4.320 -0.000 0.000 0.269 238 A C 0.322 178.095 177.584 0.315 0.000 1.094 238 A CA 0.391 52.562 52.037 0.224 0.000 0.807 238 A CB 0.769 19.923 19.000 0.257 0.000 1.047 238 A HN 0.461 nan 8.150 nan 0.000 0.487 239 K N 1.060 121.584 120.400 0.206 0.000 2.345 239 K HA 0.352 4.672 4.320 -0.000 0.000 0.255 239 K C -0.292 176.059 176.600 -0.416 0.000 0.934 239 K CA -0.608 55.670 56.287 -0.015 0.000 0.801 239 K CB 1.268 33.737 32.500 -0.051 0.000 1.137 239 K HN 0.805 nan 8.250 nan 0.000 0.424 240 R N 3.993 124.066 120.500 -0.713 0.000 2.490 240 R HA 0.242 4.581 4.340 -0.000 0.000 0.280 240 R C -0.456 175.515 176.300 -0.549 0.000 1.077 240 R CA -0.261 55.169 56.100 -1.117 0.000 1.065 240 R CB 0.488 30.267 30.300 -0.867 0.000 1.003 240 R HN 0.552 nan 8.270 nan 0.000 0.470 241 I N 3.918 124.186 120.570 -0.504 0.000 2.312 241 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 241 I C 0.479 176.385 176.117 -0.351 0.000 1.031 241 I CA -0.367 60.720 61.300 -0.356 0.000 1.293 241 I CB 1.514 39.313 38.000 -0.334 0.000 1.403 241 I HN 0.664 nan 8.210 nan 0.000 0.484 242 A N 5.719 128.377 122.820 -0.269 0.000 2.462 242 A HA 0.719 5.039 4.320 -0.000 0.000 0.243 242 A C 0.182 177.601 177.584 -0.275 0.000 1.076 242 A CA 0.124 52.021 52.037 -0.233 0.000 0.773 242 A CB 0.251 19.160 19.000 -0.152 0.000 1.010 242 A HN 0.939 nan 8.150 nan 0.000 0.493 243 A N 3.233 125.871 122.820 -0.303 0.000 2.590 243 A HA 0.731 5.050 4.320 -0.000 0.000 0.296 243 A C -3.191 174.207 177.584 -0.309 0.000 1.050 243 A CA -1.052 50.801 52.037 -0.306 0.000 0.697 243 A CB 0.869 19.591 19.000 -0.463 0.000 1.277 243 A HN 0.648 nan 8.150 nan 0.000 0.411 244 P HA 0.536 nan 4.420 nan 0.000 0.274 244 P C -0.706 176.507 177.300 -0.145 0.000 1.246 244 P CA -0.094 62.941 63.100 -0.108 0.000 0.795 244 P CB 0.292 31.991 31.700 -0.002 0.000 1.006 245 F N 0.836 120.813 119.950 0.045 0.000 2.399 245 F HA 0.252 4.778 4.527 -0.000 0.000 0.342 245 F C -1.278 174.234 175.800 -0.479 0.000 1.106 245 F CA -1.959 55.955 58.000 -0.143 0.000 1.196 245 F CB 0.288 39.229 39.000 -0.098 0.000 1.163 245 F HN 0.175 nan 8.300 nan 0.000 0.547 246 P HA 0.099 nan 4.420 nan 0.000 0.237 246 P C -1.105 175.533 177.300 -1.103 0.000 1.788 246 P CA 0.385 62.860 63.100 -1.042 0.000 1.061 246 P CB -0.663 29.924 31.700 -1.855 0.000 1.967 247 F N 1.327 121.015 119.950 -0.436 0.000 2.495 247 F HA 0.650 5.177 4.527 -0.000 0.000 0.327 247 F C 1.343 176.840 175.800 -0.505 0.000 1.103 247 F CA -0.139 57.523 58.000 -0.564 0.000 0.949 247 F CB 2.019 40.683 39.000 -0.560 0.000 1.142 247 F HN 0.400 nan 8.300 nan 0.000 0.457 248 G N 2.273 110.771 108.800 -0.503 0.000 2.828 248 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.463 248 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.463 248 G C 0.571 175.511 174.900 0.068 0.000 1.394 248 G CA -0.004 45.065 45.100 -0.052 0.000 0.862 248 G HN 0.678 nan 8.290 nan 0.000 0.540 249 E N -0.035 120.305 120.200 0.234 0.000 2.031 249 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 249 E C 2.205 178.916 176.600 0.184 0.000 0.994 249 E CA 2.023 58.579 56.400 0.259 0.000 0.800 249 E CB -0.286 29.557 29.700 0.239 0.000 0.752 249 E HN 0.687 nan 8.360 nan 0.000 0.447 250 E N -0.570 119.718 120.200 0.147 0.000 2.058 250 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 250 E C 2.007 178.639 176.600 0.053 0.000 0.997 250 E CA 1.230 57.687 56.400 0.095 0.000 0.801 250 E CB -0.393 29.345 29.700 0.063 0.000 0.746 250 E HN 0.355 nan 8.360 nan 0.000 0.450 251 G N -0.100 108.717 108.800 0.027 0.000 2.459 251 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 251 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 251 G C 1.623 176.430 174.900 -0.154 0.000 1.183 251 G CA 1.501 46.571 45.100 -0.050 0.000 0.776 251 G HN 0.293 nan 8.290 nan 0.000 0.552 252 T N 1.227 115.592 114.554 -0.315 0.000 2.684 252 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 252 T C 2.634 177.242 174.700 -0.155 0.000 1.036 252 T CA 1.970 63.761 62.100 -0.514 0.000 1.148 252 T CB -0.794 67.479 68.868 -0.991 0.000 0.863 252 T HN 0.342 nan 8.240 nan 0.000 0.436 253 T N 2.610 117.192 114.554 0.048 0.000 2.684 253 T HA -0.064 4.285 4.350 -0.000 0.000 0.267 253 T C 1.879 176.729 174.700 0.251 0.000 1.036 253 T CA 0.849 63.119 62.100 0.284 0.000 1.148 253 T CB -0.518 68.542 68.868 0.321 0.000 0.863 253 T HN 0.053 nan 8.240 nan 0.000 0.436 254 L N -0.550 120.746 121.223 0.121 0.000 2.083 254 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 254 L C 2.060 178.953 176.870 0.039 0.000 1.083 254 L CA 1.091 55.962 54.840 0.051 0.000 0.752 254 L CB -1.184 40.882 42.059 0.011 0.000 0.899 254 L HN 0.415 nan 8.230 nan 0.000 0.433 255 W N -0.635 120.571 121.300 -0.157 0.000 2.378 255 W HA -0.208 4.452 4.660 -0.000 0.000 0.313 255 W C 2.312 178.771 176.519 -0.101 0.000 1.197 255 W CA 0.994 58.213 57.345 -0.211 0.000 1.304 255 W CB -0.075 29.166 29.460 -0.365 0.000 1.148 255 W HN -0.003 nan 8.180 nan 0.000 0.494 256 L N 1.226 122.621 121.223 0.287 0.000 2.046 256 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 256 L C 2.374 179.386 176.870 0.237 0.000 1.077 256 L CA 2.041 57.065 54.840 0.306 0.000 0.747 256 L CB -1.829 40.483 42.059 0.423 0.000 0.896 256 L HN 0.083 nan 8.230 nan 0.000 0.432 257 K N -0.474 120.039 120.400 0.189 0.000 2.032 257 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 257 K C 2.061 178.546 176.600 -0.191 0.000 1.048 257 K CA 1.469 57.636 56.287 -0.200 0.000 0.927 257 K CB -0.014 32.279 32.500 -0.346 0.000 0.712 257 K HN 0.257 nan 8.250 nan 0.000 0.441 258 A N 0.624 123.336 122.820 -0.180 0.000 1.917 258 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 258 A C 2.225 179.688 177.584 -0.202 0.000 1.182 258 A CA 1.970 53.875 52.037 -0.220 0.000 0.633 258 A CB -0.674 18.148 19.000 -0.296 0.000 0.819 258 A HN 0.200 nan 8.150 nan 0.000 0.448 259 V N -0.458 119.324 119.914 -0.221 0.000 2.283 259 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 259 V C 3.057 179.166 176.094 0.026 0.000 1.039 259 V CA 1.759 63.978 62.300 -0.135 0.000 1.016 259 V CB -1.385 30.285 31.823 -0.255 0.000 0.650 259 V HN 0.632 nan 8.190 nan 0.000 0.449 260 A N 0.298 123.131 122.820 0.021 0.000 1.873 260 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 260 A C 1.977 179.577 177.584 0.026 0.000 1.193 260 A CA 2.453 54.529 52.037 0.065 0.000 0.629 260 A CB -0.888 18.168 19.000 0.093 0.000 0.826 260 A HN 0.543 nan 8.150 nan 0.000 0.447 261 D N -0.182 120.177 120.400 -0.069 0.000 2.123 261 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 261 D C 2.154 178.420 176.300 -0.057 0.000 0.992 261 D CA 1.693 55.642 54.000 -0.085 0.000 0.833 261 D CB -0.476 40.244 40.800 -0.133 0.000 0.954 261 D HN 0.456 nan 8.370 nan 0.000 0.455 262 A N -0.706 122.089 122.820 -0.041 0.000 2.067 262 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 262 A C 1.393 178.875 177.584 -0.171 0.000 1.158 262 A CA 0.924 52.902 52.037 -0.097 0.000 0.661 262 A CB -0.615 18.332 19.000 -0.089 0.000 0.801 262 A HN 0.331 nan 8.150 nan 0.000 0.452 263 Y N -0.884 119.374 120.300 -0.070 0.000 2.507 263 Y HA 0.366 4.916 4.550 -0.000 0.000 0.254 263 Y C 1.519 177.400 175.900 -0.032 0.000 1.171 263 Y CA 0.111 58.185 58.100 -0.044 0.000 1.238 263 Y CB 0.288 38.729 38.460 -0.031 0.000 1.148 263 Y HN 0.382 nan 8.280 nan 0.000 0.525 264 G N 1.445 110.275 108.800 0.050 0.000 2.359 264 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.298 264 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.298 264 G C -0.509 174.420 174.900 0.047 0.000 1.030 264 G CA 0.129 45.241 45.100 0.020 0.000 1.149 264 G HN 0.122 nan 8.290 nan 0.000 0.512 265 V N 1.499 121.449 119.914 0.060 0.000 2.383 265 V HA 0.550 4.670 4.120 -0.000 0.000 0.275 265 V C 1.220 177.348 176.094 0.056 0.000 1.036 265 V CA -0.086 62.260 62.300 0.076 0.000 0.889 265 V CB 1.446 33.342 31.823 0.121 0.000 0.985 265 V HN 1.101 nan 8.190 nan 0.000 0.459 266 S N 4.439 120.173 115.700 0.056 0.000 2.558 266 S HA 0.234 4.704 4.470 -0.000 0.000 0.288 266 S C 1.445 176.092 174.600 0.079 0.000 1.318 266 S CA 0.081 58.309 58.200 0.046 0.000 1.056 266 S CB 1.234 64.459 63.200 0.040 0.000 0.853 266 S HN 1.119 nan 8.310 nan 0.000 0.505 267 A N 2.338 125.189 122.820 0.052 0.000 2.024 267 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 267 A C 2.177 179.842 177.584 0.135 0.000 1.164 267 A CA 1.423 53.514 52.037 0.091 0.000 0.643 267 A CB -0.803 18.217 19.000 0.034 0.000 0.806 267 A HN 0.929 nan 8.150 nan 0.000 0.451 268 E N -0.129 120.123 120.200 0.086 0.000 2.037 268 E HA -0.293 4.057 4.350 -0.000 0.000 0.214 268 E C 1.978 178.630 176.600 0.086 0.000 1.041 268 E CA 2.007 58.450 56.400 0.071 0.000 0.872 268 E CB -0.391 29.339 29.700 0.049 0.000 0.785 268 E HN 0.683 nan 8.360 nan 0.000 0.476 269 K N -0.309 120.146 120.400 0.092 0.000 2.147 269 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 269 K C 2.121 178.785 176.600 0.107 0.000 1.049 269 K CA 0.883 57.219 56.287 0.082 0.000 0.936 269 K CB -0.301 32.244 32.500 0.076 0.000 0.722 269 K HN 0.036 nan 8.250 nan 0.000 0.446 270 F N 1.874 121.835 119.950 0.018 0.000 2.051 270 F HA -0.194 4.333 4.527 -0.000 0.000 0.296 270 F C 1.997 177.811 175.800 0.024 0.000 1.122 270 F CA 1.585 59.601 58.000 0.026 0.000 1.201 270 F CB 0.056 39.071 39.000 0.025 0.000 0.978 270 F HN 0.036 nan 8.300 nan 0.000 0.472 271 E N 0.729 121.026 120.200 0.162 0.000 2.268 271 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 271 E C 2.242 178.815 176.600 -0.045 0.000 0.995 271 E CA 0.896 57.321 56.400 0.042 0.000 0.836 271 E CB -0.738 29.029 29.700 0.113 0.000 0.763 271 E HN 0.535 nan 8.360 nan 0.000 0.491 272 A N 1.356 124.161 122.820 -0.025 0.000 1.832 272 A HA -0.130 4.189 4.320 -0.000 0.000 0.214 272 A C 2.617 180.151 177.584 -0.083 0.000 1.200 272 A CA 1.479 53.492 52.037 -0.039 0.000 0.610 272 A CB -0.903 18.090 19.000 -0.011 0.000 0.842 272 A HN 0.124 nan 8.150 nan 0.000 0.444 273 V N -0.547 119.305 119.914 -0.102 0.000 2.380 273 V HA -0.218 3.901 4.120 -0.000 0.000 0.251 273 V C 2.647 178.633 176.094 -0.181 0.000 1.063 273 V CA 2.537 64.764 62.300 -0.121 0.000 1.055 273 V CB -0.846 30.911 31.823 -0.110 0.000 0.657 273 V HN 0.703 nan 8.190 nan 0.000 0.455 274 T N -1.650 112.733 114.554 -0.285 0.000 3.015 274 T HA 0.234 4.584 4.350 -0.000 0.000 0.250 274 T C 1.793 176.306 174.700 -0.311 0.000 1.057 274 T CA 0.884 62.774 62.100 -0.349 0.000 1.066 274 T CB 0.080 68.595 68.868 -0.588 0.000 0.959 274 T HN 0.475 nan 8.240 nan 0.000 0.488 275 A N 1.309 124.004 122.820 -0.209 0.000 1.898 275 A HA 0.305 4.625 4.320 -0.000 0.000 0.216 275 A C 2.628 180.111 177.584 -0.168 0.000 1.181 275 A CA 1.820 53.764 52.037 -0.155 0.000 0.620 275 A CB -1.249 17.700 19.000 -0.086 0.000 0.819 275 A HN 0.583 nan 8.150 nan 0.000 0.442 276 A N 0.525 123.254 122.820 -0.153 0.000 1.849 276 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 276 A C 0.297 177.765 177.584 -0.194 0.000 1.202 276 A CA 2.062 54.018 52.037 -0.135 0.000 0.629 276 A CB -1.924 17.016 19.000 -0.101 0.000 0.834 276 A HN 0.425 nan 8.150 nan 0.000 0.447 277 P HA -0.171 nan 4.420 nan 0.000 0.216 277 P C 1.572 178.506 177.300 -0.611 0.000 1.150 277 P CA 1.369 64.213 63.100 -0.425 0.000 0.843 277 P CB -0.144 31.209 31.700 -0.577 0.000 0.787 278 R N -0.727 119.393 120.500 -0.632 0.000 2.066 278 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 278 R C 2.251 178.457 176.300 -0.156 0.000 1.131 278 R CA 1.580 57.425 56.100 -0.425 0.000 0.955 278 R CB -1.116 29.028 30.300 -0.259 0.000 0.851 278 R HN 0.156 nan 8.270 nan 0.000 0.432 279 A N 1.204 123.947 122.820 -0.128 0.000 1.877 279 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 279 A C 2.189 179.753 177.584 -0.034 0.000 1.186 279 A CA 1.286 53.288 52.037 -0.057 0.000 0.620 279 A CB -0.496 18.473 19.000 -0.053 0.000 0.822 279 A HN 0.215 nan 8.150 nan 0.000 0.443 280 R N -0.441 120.027 120.500 -0.053 0.000 2.112 280 R HA -0.211 4.128 4.340 -0.000 0.000 0.242 280 R C 2.358 178.673 176.300 0.025 0.000 1.137 280 R CA 1.772 57.861 56.100 -0.018 0.000 0.944 280 R CB -0.460 29.820 30.300 -0.034 0.000 0.857 280 R HN 0.479 nan 8.270 nan 0.000 0.435 281 A N 1.096 123.934 122.820 0.031 0.000 1.883 281 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 281 A C 2.105 179.765 177.584 0.128 0.000 1.186 281 A CA 1.668 53.780 52.037 0.125 0.000 0.624 281 A CB -0.577 18.563 19.000 0.234 0.000 0.822 281 A HN 0.310 nan 8.150 nan 0.000 0.444 282 K N 0.087 120.541 120.400 0.089 0.000 2.097 282 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 282 K C 2.127 178.770 176.600 0.070 0.000 1.050 282 K CA 1.733 58.072 56.287 0.086 0.000 0.938 282 K CB -0.199 32.336 32.500 0.057 0.000 0.718 282 K HN 0.528 nan 8.250 nan 0.000 0.442 283 K N 0.274 120.704 120.400 0.051 0.000 2.057 283 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 283 K C 1.996 178.628 176.600 0.052 0.000 1.050 283 K CA 1.129 57.438 56.287 0.038 0.000 0.935 283 K CB -0.183 32.330 32.500 0.021 0.000 0.715 283 K HN 0.126 nan 8.250 nan 0.000 0.439 284 A N 1.588 124.456 122.820 0.080 0.000 1.940 284 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 284 A C 2.069 179.761 177.584 0.180 0.000 1.176 284 A CA 1.636 53.741 52.037 0.114 0.000 0.631 284 A CB -0.636 18.446 19.000 0.137 0.000 0.814 284 A HN 0.398 nan 8.150 nan 0.000 0.446 285 I N -0.456 120.232 120.570 0.197 0.000 2.394 285 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 285 I C 2.906 179.121 176.117 0.163 0.000 1.136 285 I CA 0.827 62.276 61.300 0.249 0.000 1.425 285 I CB -0.396 37.725 38.000 0.202 0.000 1.079 285 I HN 0.362 nan 8.210 nan 0.000 0.425 286 A N 1.155 124.019 122.820 0.074 0.000 1.902 286 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 286 A C 2.611 180.176 177.584 -0.033 0.000 1.181 286 A CA 1.790 53.840 52.037 0.022 0.000 0.623 286 A CB -0.815 18.192 19.000 0.011 0.000 0.818 286 A HN 0.421 nan 8.150 nan 0.000 0.443 287 A N -0.875 121.876 122.820 -0.115 0.000 2.009 287 A HA -0.278 4.042 4.320 -0.000 0.000 0.222 287 A C 1.944 179.324 177.584 -0.339 0.000 1.175 287 A CA 1.956 53.828 52.037 -0.274 0.000 0.651 287 A CB -0.889 17.852 19.000 -0.432 0.000 0.815 287 A HN 0.747 nan 8.150 nan 0.000 0.459 288 H N -1.674 117.420 119.070 0.041 0.000 2.582 288 H HA 0.206 4.762 4.556 -0.000 0.000 0.269 288 H C 1.984 177.325 175.328 0.022 0.000 0.962 288 H CA 0.526 56.600 56.048 0.043 0.000 1.230 288 H CB -0.217 29.585 29.762 0.067 0.000 1.445 288 H HN 0.407 nan 8.280 nan 0.000 0.528 289 L N 1.083 122.362 121.223 0.092 0.000 2.089 289 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 289 L C 2.641 179.528 176.870 0.029 0.000 1.079 289 L CA 1.270 56.134 54.840 0.039 0.000 0.758 289 L CB -0.124 41.945 42.059 0.017 0.000 0.891 289 L HN 0.172 nan 8.230 nan 0.000 0.433 290 E N 0.177 120.392 120.200 0.024 0.000 2.037 290 E HA -0.265 4.085 4.350 -0.000 0.000 0.214 290 E C 2.065 178.684 176.600 0.031 0.000 1.041 290 E CA 2.630 59.042 56.400 0.020 0.000 0.872 290 E CB -0.453 29.254 29.700 0.012 0.000 0.785 290 E HN 0.547 nan 8.360 nan 0.000 0.476 291 T N -1.420 113.164 114.554 0.051 0.000 3.055 291 T HA -0.009 4.341 4.350 -0.000 0.000 0.265 291 T C 1.699 176.431 174.700 0.055 0.000 1.111 291 T CA 0.500 62.634 62.100 0.056 0.000 1.118 291 T CB 0.013 68.927 68.868 0.076 0.000 0.909 291 T HN -0.008 nan 8.240 nan 0.000 0.501 292 L N 1.507 122.763 121.223 0.054 0.000 2.145 292 L HA 0.281 4.621 4.340 -0.000 0.000 0.201 292 L C 1.270 178.141 176.870 0.002 0.000 1.075 292 L CA 1.051 55.910 54.840 0.032 0.000 0.773 292 L CB -1.326 40.749 42.059 0.027 0.000 0.936 292 L HN 0.199 nan 8.230 nan 0.000 0.451 293 T N 0.144 114.698 114.554 -0.001 0.000 2.908 293 T HA 0.339 4.689 4.350 -0.000 0.000 0.301 293 T C 1.130 175.827 174.700 -0.006 0.000 1.019 293 T CA 0.983 63.076 62.100 -0.011 0.000 1.152 293 T CB 0.304 69.168 68.868 -0.006 0.000 0.966 293 T HN 0.630 nan 8.240 nan 0.000 0.540 294 G N 2.757 111.550 108.800 -0.013 0.000 2.217 294 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.246 294 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.246 294 G C 0.163 175.059 174.900 -0.007 0.000 0.990 294 G CA -0.297 44.798 45.100 -0.010 0.000 0.627 294 G HN 0.592 nan 8.290 nan 0.000 0.522 295 K N 1.791 122.189 120.400 -0.005 0.000 2.276 295 K HA 0.490 4.810 4.320 -0.000 0.000 0.283 295 K C 0.747 177.346 176.600 -0.002 0.000 1.044 295 K CA 0.336 56.626 56.287 0.006 0.000 0.944 295 K CB 1.461 33.973 32.500 0.020 0.000 1.012 295 K HN 0.594 nan 8.250 nan 0.000 0.472 296 S N 2.521 118.226 115.700 0.008 0.000 2.545 296 S HA 0.408 4.878 4.470 -0.000 0.000 0.275 296 S C -0.120 174.497 174.600 0.028 0.000 1.299 296 S CA -0.933 57.272 58.200 0.008 0.000 1.048 296 S CB 0.844 64.050 63.200 0.010 0.000 0.938 296 S HN 0.466 nan 8.310 nan 0.000 0.496 297 L N 2.892 124.125 121.223 0.018 0.000 2.346 297 L HA 0.787 5.127 4.340 -0.000 0.000 0.276 297 L C -1.366 175.551 176.870 0.079 0.000 1.006 297 L CA -0.877 53.986 54.840 0.038 0.000 0.817 297 L CB 1.609 43.645 42.059 -0.039 0.000 1.272 297 L HN 0.825 nan 8.230 nan 0.000 0.421 298 F N 5.470 125.410 119.950 -0.017 0.000 2.520 298 F HA 0.710 5.237 4.527 -0.000 0.000 0.322 298 F C -0.941 174.850 175.800 -0.016 0.000 1.103 298 F CA -0.691 57.283 58.000 -0.044 0.000 0.926 298 F CB 1.795 40.777 39.000 -0.030 0.000 1.154 298 F HN 0.367 nan 8.300 nan 0.000 0.453 299 M N 7.110 126.539 119.600 -0.285 0.000 2.093 299 M HA 0.307 4.787 4.480 -0.000 0.000 0.297 299 M C -1.297 174.918 176.300 -0.142 0.000 0.938 299 M CA -0.525 54.740 55.300 -0.058 0.000 0.920 299 M CB 1.555 34.107 32.600 -0.080 0.000 1.517 299 M HN 0.414 nan 8.290 nan 0.000 0.427 300 F N 4.344 124.403 119.950 0.182 0.000 2.444 300 F HA 0.323 4.850 4.527 -0.000 0.000 0.331 300 F C -1.612 174.228 175.800 0.067 0.000 1.167 300 F CA -1.281 56.818 58.000 0.165 0.000 1.262 300 F CB 0.398 39.500 39.000 0.169 0.000 1.196 300 F HN 0.304 nan 8.300 nan 0.000 0.583 301 P HA 0.153 nan 4.420 nan 0.000 0.287 301 P C -0.817 176.585 177.300 0.170 0.000 1.294 301 P CA 0.005 63.208 63.100 0.173 0.000 0.776 301 P CB 1.611 33.399 31.700 0.147 0.000 0.889 302 D N 1.492 121.996 120.400 0.174 0.000 2.559 302 D HA -0.024 4.615 4.640 -0.000 0.000 0.296 302 D C 1.204 177.713 176.300 0.349 0.000 1.118 302 D CA 0.736 54.862 54.000 0.210 0.000 0.967 302 D CB 0.483 41.380 40.800 0.161 0.000 1.607 302 D HN 0.440 nan 8.370 nan 0.000 0.493 303 S N -0.607 115.253 115.700 0.266 0.000 2.649 303 S HA 0.115 4.585 4.470 -0.000 0.000 0.246 303 S C 0.831 175.525 174.600 0.157 0.000 1.057 303 S CA -0.066 58.248 58.200 0.191 0.000 1.051 303 S CB 1.486 64.764 63.200 0.131 0.000 1.018 303 S HN 0.116 nan 8.310 nan 0.000 0.569 304 Q N -0.289 119.615 119.800 0.173 0.000 2.324 304 Q HA -0.173 4.166 4.340 -0.000 0.000 0.200 304 Q C 0.732 176.782 176.000 0.083 0.000 0.645 304 Q CA 1.383 57.288 55.803 0.171 0.000 1.377 304 Q CB -2.088 26.809 28.738 0.265 0.000 1.486 304 Q HN 0.573 nan 8.270 nan 0.000 0.796 305 L N 1.188 122.444 121.223 0.054 0.000 2.509 305 L HA -0.055 4.285 4.340 -0.000 0.000 0.222 305 L C 2.453 179.255 176.870 -0.115 0.000 1.123 305 L CA 0.822 55.623 54.840 -0.066 0.000 0.856 305 L CB -0.237 41.758 42.059 -0.107 0.000 0.985 305 L HN 0.272 nan 8.230 nan 0.000 0.456 306 E N 0.807 120.982 120.200 -0.042 0.000 2.106 306 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 306 E C 2.088 178.647 176.600 -0.069 0.000 0.984 306 E CA 1.358 57.725 56.400 -0.055 0.000 0.806 306 E CB -0.388 29.300 29.700 -0.020 0.000 0.750 306 E HN 0.499 nan 8.360 nan 0.000 0.458 307 I N 1.909 122.459 120.570 -0.033 0.000 2.163 307 I HA -0.165 4.005 4.170 -0.000 0.000 0.240 307 I C -0.517 175.602 176.117 0.005 0.000 1.081 307 I CA 1.214 62.507 61.300 -0.011 0.000 1.353 307 I CB -1.004 37.011 38.000 0.024 0.000 1.054 307 I HN 0.115 nan 8.210 nan 0.000 0.407 308 P HA -0.100 nan 4.420 nan 0.000 0.219 308 P C 1.888 179.182 177.300 -0.010 0.000 1.150 308 P CA 1.379 64.540 63.100 0.103 0.000 0.814 308 P CB -0.013 31.851 31.700 0.274 0.000 0.787 309 L N -0.967 120.135 121.223 -0.203 0.000 2.156 309 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 309 L C 2.522 179.302 176.870 -0.151 0.000 1.095 309 L CA 1.254 55.941 54.840 -0.255 0.000 0.770 309 L CB -1.043 40.805 42.059 -0.352 0.000 0.914 309 L HN -0.052 nan 8.230 nan 0.000 0.439 310 A N -0.006 122.737 122.820 -0.128 0.000 1.898 310 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 310 A C 2.463 180.006 177.584 -0.069 0.000 1.181 310 A CA 1.281 53.245 52.037 -0.122 0.000 0.620 310 A CB -0.504 18.436 19.000 -0.100 0.000 0.819 310 A HN 0.245 nan 8.150 nan 0.000 0.442 311 R N -0.883 119.611 120.500 -0.010 0.000 2.081 311 R HA -0.173 4.166 4.340 -0.000 0.000 0.235 311 R C 1.912 178.234 176.300 0.036 0.000 1.131 311 R CA 2.109 58.225 56.100 0.026 0.000 0.960 311 R CB -0.844 29.492 30.300 0.060 0.000 0.856 311 R HN 0.533 nan 8.270 nan 0.000 0.436 312 F N 1.262 121.158 119.950 -0.091 0.000 2.146 312 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 312 F C 2.019 177.746 175.800 -0.122 0.000 1.096 312 F CA 1.255 59.201 58.000 -0.089 0.000 1.275 312 F CB -0.363 38.584 39.000 -0.088 0.000 1.008 312 F HN -0.035 nan 8.300 nan 0.000 0.480 313 L N -0.139 120.865 121.223 -0.366 0.000 2.093 313 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 313 L C 2.784 179.462 176.870 -0.319 0.000 1.085 313 L CA 1.038 55.585 54.840 -0.488 0.000 0.755 313 L CB -1.207 40.593 42.059 -0.432 0.000 0.904 313 L HN 0.281 nan 8.230 nan 0.000 0.435 314 A N 0.543 123.255 122.820 -0.180 0.000 1.832 314 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 314 A C 2.371 179.927 177.584 -0.047 0.000 1.200 314 A CA 1.397 53.397 52.037 -0.063 0.000 0.610 314 A CB -0.453 18.574 19.000 0.045 0.000 0.842 314 A HN 0.285 nan 8.150 nan 0.000 0.444 315 R N -0.417 120.037 120.500 -0.077 0.000 2.090 315 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 315 R C 1.910 178.130 176.300 -0.134 0.000 1.110 315 R CA 1.525 57.557 56.100 -0.114 0.000 0.973 315 R CB -0.190 29.978 30.300 -0.220 0.000 0.869 315 R HN 0.638 nan 8.270 nan 0.000 0.440 316 E N -0.866 119.194 120.200 -0.234 0.000 2.364 316 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 316 E C 0.988 177.416 176.600 -0.288 0.000 0.990 316 E CA 0.313 56.564 56.400 -0.250 0.000 0.886 316 E CB 0.600 30.152 29.700 -0.246 0.000 0.866 316 E HN 0.274 nan 8.360 nan 0.000 0.493 317 C N 0.070 119.153 119.300 -0.363 0.000 3.183 317 C HA 0.349 4.809 4.460 -0.000 0.000 0.285 317 C C 1.451 176.357 174.990 -0.140 0.000 1.313 317 C CA 0.070 58.937 59.018 -0.252 0.000 1.711 317 C CB -0.161 27.377 27.740 -0.338 0.000 2.135 317 C HN 0.610 nan 8.230 nan 0.000 0.651 318 G N 1.745 110.478 108.800 -0.111 0.000 2.179 318 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 318 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 318 G C 0.022 174.890 174.900 -0.052 0.000 1.010 318 G CA 0.201 45.270 45.100 -0.051 0.000 0.736 318 G HN 0.535 nan 8.290 nan 0.000 0.513 319 M N -0.130 119.418 119.600 -0.085 0.000 2.241 319 M HA 0.317 4.797 4.480 -0.000 0.000 0.335 319 M C 0.455 176.724 176.300 -0.051 0.000 1.122 319 M CA 0.203 55.459 55.300 -0.074 0.000 1.164 319 M CB 0.647 33.177 32.600 -0.118 0.000 1.459 319 M HN -0.054 nan 8.290 nan 0.000 0.461 320 K N 2.182 122.557 120.400 -0.042 0.000 2.265 320 K HA 0.337 4.657 4.320 -0.000 0.000 0.267 320 K C -0.130 176.444 176.600 -0.043 0.000 0.994 320 K CA -0.388 55.875 56.287 -0.040 0.000 0.860 320 K CB 0.983 33.462 32.500 -0.035 0.000 1.099 320 K HN 0.770 nan 8.250 nan 0.000 0.448 321 T N -0.401 114.123 114.554 -0.050 0.000 2.828 321 T HA 0.307 4.657 4.350 -0.000 0.000 0.290 321 T C 0.632 175.294 174.700 -0.063 0.000 1.019 321 T CA -0.116 61.945 62.100 -0.065 0.000 1.031 321 T CB 1.358 70.184 68.868 -0.070 0.000 1.001 321 T HN 0.441 nan 8.240 nan 0.000 0.531 322 T N -0.373 114.129 114.554 -0.086 0.000 2.709 322 T HA 0.294 4.644 4.350 -0.000 0.000 0.147 322 T C -0.764 173.847 174.700 -0.149 0.000 0.821 322 T CA -0.447 61.612 62.100 -0.068 0.000 0.830 322 T CB 0.103 68.979 68.868 0.014 0.000 2.347 322 T HN 0.820 nan 8.240 nan 0.000 0.351 323 E N 0.790 120.805 120.200 -0.308 0.000 2.145 323 E HA 0.519 4.869 4.350 -0.000 0.000 0.270 323 E C -1.701 174.479 176.600 -0.700 0.000 0.906 323 E CA -0.382 55.720 56.400 -0.497 0.000 0.761 323 E CB 0.726 30.089 29.700 -0.562 0.000 1.116 323 E HN 0.209 nan 8.360 nan 0.000 0.408 324 I N 3.914 124.235 120.570 -0.415 0.000 2.355 324 I HA 0.396 4.566 4.170 -0.000 0.000 0.288 324 I C -0.491 175.474 176.117 -0.253 0.000 0.999 324 I CA -0.121 60.980 61.300 -0.332 0.000 1.163 324 I CB 1.566 39.450 38.000 -0.193 0.000 1.316 324 I HN 0.575 nan 8.210 nan 0.000 0.454 325 A N 4.160 126.834 122.820 -0.243 0.000 2.350 325 A HA 0.883 5.203 4.320 -0.000 0.000 0.324 325 A C -0.324 177.242 177.584 -0.030 0.000 1.118 325 A CA -0.510 51.450 52.037 -0.128 0.000 0.783 325 A CB 1.502 20.428 19.000 -0.123 0.000 1.236 325 A HN 0.519 nan 8.150 nan 0.000 0.457 326 T N 1.730 116.291 114.554 0.012 0.000 2.906 326 T HA 0.646 4.996 4.350 -0.000 0.000 0.295 326 T C -2.188 172.576 174.700 0.106 0.000 1.061 326 T CA -1.728 60.413 62.100 0.067 0.000 1.000 326 T CB 1.860 70.766 68.868 0.063 0.000 1.103 326 T HN 0.389 nan 8.240 nan 0.000 0.486 327 P HA 0.178 nan 4.420 nan 0.000 0.231 327 P C -0.186 177.276 177.300 0.271 0.000 1.168 327 P CA 0.359 63.573 63.100 0.190 0.000 0.779 327 P CB 0.154 31.975 31.700 0.202 0.000 0.844 328 F N 0.297 120.303 119.950 0.092 0.000 2.622 328 F HA 0.475 5.002 4.527 -0.000 0.000 0.318 328 F C -1.933 173.930 175.800 0.105 0.000 1.135 328 F CA -1.275 56.784 58.000 0.098 0.000 1.015 328 F CB 1.640 40.711 39.000 0.118 0.000 1.275 328 F HN -0.359 nan 8.300 nan 0.000 0.457 329 L N 6.891 127.756 121.223 -0.598 0.000 2.401 329 L HA 0.369 4.708 4.340 -0.000 0.000 0.263 329 L C -1.238 175.401 176.870 -0.386 0.000 1.004 329 L CA -0.362 54.298 54.840 -0.299 0.000 0.881 329 L CB 0.197 42.151 42.059 -0.176 0.000 1.219 329 L HN 0.699 nan 8.230 nan 0.000 0.441 330 H N 4.652 123.636 119.070 -0.143 0.000 3.086 330 H HA 0.098 4.654 4.556 -0.000 0.000 0.265 330 H C 0.736 176.081 175.328 0.028 0.000 1.092 330 H CA 0.205 56.274 56.048 0.035 0.000 1.487 330 H CB 1.044 30.978 29.762 0.287 0.000 1.514 330 H HN 0.580 nan 8.280 nan 0.000 0.497 331 K N 3.727 124.091 120.400 -0.061 0.000 2.044 331 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 331 K C 1.861 178.526 176.600 0.109 0.000 1.049 331 K CA 1.456 57.745 56.287 0.003 0.000 0.927 331 K CB -0.210 32.258 32.500 -0.052 0.000 0.713 331 K HN 0.682 nan 8.250 nan 0.000 0.443 332 A N 0.886 123.820 122.820 0.190 0.000 1.872 332 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 332 A C 2.290 180.014 177.584 0.234 0.000 1.187 332 A CA 1.153 53.321 52.037 0.217 0.000 0.614 332 A CB -0.452 18.692 19.000 0.239 0.000 0.826 332 A HN 0.223 nan 8.150 nan 0.000 0.442 333 I N -0.711 120.076 120.570 0.362 0.000 2.252 333 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 333 I C 2.174 178.433 176.117 0.237 0.000 1.102 333 I CA 0.973 62.393 61.300 0.199 0.000 1.385 333 I CB -0.181 37.873 38.000 0.089 0.000 1.064 333 I HN 0.231 nan 8.210 nan 0.000 0.414 334 M N 0.129 119.878 119.600 0.248 0.000 2.562 334 M HA 0.042 4.522 4.480 -0.000 0.000 0.257 334 M C 2.399 178.783 176.300 0.139 0.000 1.099 334 M CA 0.668 56.096 55.300 0.214 0.000 1.099 334 M CB -1.222 31.478 32.600 0.167 0.000 1.427 334 M HN 0.234 nan 8.290 nan 0.000 0.489 335 A N 1.556 124.440 122.820 0.107 0.000 1.873 335 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 335 A C -0.220 177.390 177.584 0.043 0.000 1.193 335 A CA 1.629 53.702 52.037 0.061 0.000 0.629 335 A CB -2.088 16.939 19.000 0.045 0.000 0.826 335 A HN 0.280 nan 8.150 nan 0.000 0.447 336 P HA -0.193 nan 4.420 nan 0.000 0.217 336 P C 0.786 178.105 177.300 0.032 0.000 1.162 336 P CA 1.768 64.871 63.100 0.004 0.000 0.901 336 P CB -0.113 31.563 31.700 -0.039 0.000 0.793 337 D N -1.286 119.161 120.400 0.078 0.000 2.149 337 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 337 D C 2.069 178.411 176.300 0.070 0.000 0.972 337 D CA 0.826 54.882 54.000 0.093 0.000 0.835 337 D CB -0.473 40.426 40.800 0.165 0.000 0.966 337 D HN 0.152 nan 8.370 nan 0.000 0.476 338 L N 0.934 122.198 121.223 0.067 0.000 2.079 338 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 338 L C 2.551 179.450 176.870 0.048 0.000 1.081 338 L CA 0.971 55.842 54.840 0.051 0.000 0.752 338 L CB -0.419 41.666 42.059 0.042 0.000 0.896 338 L HN -0.022 nan 8.230 nan 0.000 0.433 339 A N 0.059 122.903 122.820 0.040 0.000 1.978 339 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 339 A C 2.022 179.633 177.584 0.045 0.000 1.170 339 A CA 1.448 53.506 52.037 0.035 0.000 0.636 339 A CB -0.435 18.575 19.000 0.016 0.000 0.810 339 A HN 0.487 nan 8.150 nan 0.000 0.448 340 L N -1.371 119.870 121.223 0.030 0.000 2.693 340 L HA 0.343 4.683 4.340 -0.000 0.000 0.235 340 L C 0.529 177.436 176.870 0.062 0.000 1.127 340 L CA -0.346 54.485 54.840 -0.014 0.000 0.914 340 L CB -0.119 41.883 42.059 -0.094 0.000 1.193 340 L HN 0.224 nan 8.230 nan 0.000 0.502 341 L N 2.590 123.880 121.223 0.112 0.000 2.410 341 L HA 0.257 4.597 4.340 -0.000 0.000 0.273 341 L C -1.949 175.063 176.870 0.238 0.000 1.152 341 L CA -1.639 53.288 54.840 0.145 0.000 0.855 341 L CB 1.006 43.107 42.059 0.070 0.000 1.129 341 L HN -0.207 nan 8.230 nan 0.000 0.463 342 P HA -0.056 nan 4.420 nan 0.000 0.261 342 P C 0.206 177.494 177.300 -0.020 0.000 1.173 342 P CA 0.183 63.317 63.100 0.058 0.000 0.760 342 P CB 0.560 32.242 31.700 -0.031 0.000 0.783 343 S N 1.986 117.640 115.700 -0.076 0.000 2.555 343 S HA -0.134 4.336 4.470 -0.000 0.000 0.230 343 S C 1.383 175.948 174.600 -0.059 0.000 0.978 343 S CA 0.534 58.705 58.200 -0.049 0.000 0.934 343 S CB -0.892 62.276 63.200 -0.053 0.000 0.766 343 S HN 0.564 nan 8.310 nan 0.000 0.533 344 N N 1.588 120.241 118.700 -0.078 0.000 2.396 344 N HA -0.093 4.647 4.740 -0.000 0.000 0.180 344 N C -0.225 175.251 175.510 -0.057 0.000 1.028 344 N CA 0.638 53.647 53.050 -0.068 0.000 0.893 344 N CB -1.060 37.381 38.487 -0.077 0.000 0.967 344 N HN 0.208 nan 8.380 nan 0.000 0.440 345 T N 1.881 116.402 114.554 -0.055 0.000 2.738 345 T HA 0.208 4.558 4.350 -0.000 0.000 0.277 345 T C 0.375 175.035 174.700 -0.068 0.000 0.981 345 T CA -0.021 62.041 62.100 -0.064 0.000 1.211 345 T CB 0.277 69.112 68.868 -0.055 0.000 0.932 345 T HN 0.375 nan 8.240 nan 0.000 0.522 346 A N 5.458 128.230 122.820 -0.081 0.000 2.473 346 A HA 0.379 4.699 4.320 -0.000 0.000 0.282 346 A C 0.321 177.841 177.584 -0.108 0.000 1.163 346 A CA -0.295 51.692 52.037 -0.083 0.000 0.827 346 A CB -0.323 18.630 19.000 -0.079 0.000 1.098 346 A HN 0.870 nan 8.150 nan 0.000 0.515 347 L N 2.875 124.048 121.223 -0.083 0.000 2.289 347 L HA 0.468 4.808 4.340 -0.000 0.000 0.285 347 L C 0.223 177.047 176.870 -0.077 0.000 1.049 347 L CA -0.036 54.753 54.840 -0.084 0.000 0.804 347 L CB 1.838 43.861 42.059 -0.059 0.000 1.195 347 L HN 0.647 nan 8.230 nan 0.000 0.428 348 T N 2.426 116.929 114.554 -0.086 0.000 2.879 348 T HA 0.251 4.601 4.350 -0.000 0.000 0.290 348 T C -0.900 173.776 174.700 -0.039 0.000 0.993 348 T CA -0.564 61.500 62.100 -0.061 0.000 0.975 348 T CB 1.758 70.585 68.868 -0.069 0.000 0.981 348 T HN 0.546 nan 8.240 nan 0.000 0.439 349 E N 2.366 122.550 120.200 -0.026 0.000 2.151 349 E HA 0.578 4.928 4.350 -0.000 0.000 0.275 349 E C 0.656 177.271 176.600 0.024 0.000 0.936 349 E CA -0.124 56.269 56.400 -0.010 0.000 0.777 349 E CB 0.832 30.499 29.700 -0.055 0.000 1.108 349 E HN 0.928 nan 8.360 nan 0.000 0.401 350 G N 3.220 112.057 108.800 0.062 0.000 2.553 350 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 350 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 350 G C -0.690 174.257 174.900 0.079 0.000 1.277 350 G CA 0.229 45.377 45.100 0.081 0.000 0.910 350 G HN 0.948 nan 8.290 nan 0.000 0.576 351 Q N -1.385 118.464 119.800 0.080 0.000 2.939 351 Q HA 0.508 4.848 4.340 -0.000 0.000 0.274 351 Q C -2.092 173.957 176.000 0.082 0.000 0.941 351 Q CA -0.219 55.640 55.803 0.093 0.000 0.824 351 Q CB 1.117 29.938 28.738 0.138 0.000 1.779 351 Q HN 0.889 nan 8.270 nan 0.000 0.470 352 D N 1.629 122.080 120.400 0.085 0.000 2.462 352 D HA 0.249 4.889 4.640 -0.000 0.000 0.245 352 D C 0.178 176.531 176.300 0.090 0.000 1.122 352 D CA -0.665 53.378 54.000 0.072 0.000 0.864 352 D CB 1.576 42.410 40.800 0.057 0.000 1.098 352 D HN 0.582 nan 8.370 nan 0.000 0.541 353 L N 3.917 125.187 121.223 0.078 0.000 1.991 353 L HA -0.193 4.147 4.340 -0.000 0.000 0.221 353 L C 1.749 178.670 176.870 0.084 0.000 1.079 353 L CA 2.004 56.893 54.840 0.082 0.000 0.778 353 L CB -0.369 41.700 42.059 0.016 0.000 0.893 353 L HN 0.537 nan 8.230 nan 0.000 0.437 354 E N -0.459 119.771 120.200 0.051 0.000 2.150 354 E HA -0.163 4.186 4.350 -0.000 0.000 0.193 354 E C 2.148 178.785 176.600 0.062 0.000 0.985 354 E CA 1.174 57.601 56.400 0.044 0.000 0.814 354 E CB -0.461 29.256 29.700 0.027 0.000 0.752 354 E HN 0.649 nan 8.360 nan 0.000 0.466 355 A N 1.503 124.364 122.820 0.068 0.000 1.858 355 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 355 A C 2.204 179.844 177.584 0.095 0.000 1.190 355 A CA 1.826 53.904 52.037 0.069 0.000 0.617 355 A CB -0.638 18.399 19.000 0.062 0.000 0.827 355 A HN 0.229 nan 8.150 nan 0.000 0.443 356 Q N -0.665 119.216 119.800 0.136 0.000 2.119 356 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 356 Q C 1.994 178.112 176.000 0.197 0.000 0.972 356 Q CA 1.103 57.019 55.803 0.189 0.000 0.847 356 Q CB -0.194 28.707 28.738 0.273 0.000 0.903 356 Q HN 0.695 nan 8.270 nan 0.000 0.433 357 L N 0.550 121.888 121.223 0.192 0.000 2.093 357 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 357 L C 1.765 178.691 176.870 0.093 0.000 1.085 357 L CA 0.935 55.857 54.840 0.136 0.000 0.755 357 L CB -0.340 41.758 42.059 0.065 0.000 0.904 357 L HN 0.261 nan 8.230 nan 0.000 0.435 358 D N -0.115 120.331 120.400 0.077 0.000 2.144 358 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 358 D C 2.308 178.638 176.300 0.051 0.000 0.984 358 D CA 0.970 55.005 54.000 0.057 0.000 0.834 358 D CB -0.072 40.757 40.800 0.048 0.000 0.955 358 D HN 0.277 nan 8.370 nan 0.000 0.465 359 R N -0.247 120.293 120.500 0.068 0.000 2.073 359 R HA -0.140 4.199 4.340 -0.000 0.000 0.234 359 R C 2.269 178.583 176.300 0.023 0.000 1.134 359 R CA 1.222 57.363 56.100 0.069 0.000 0.952 359 R CB -0.614 29.757 30.300 0.119 0.000 0.850 359 R HN 0.382 nan 8.270 nan 0.000 0.433 360 H N 1.000 119.963 119.070 -0.178 0.000 2.267 360 H HA -0.171 4.385 4.556 -0.000 0.000 0.297 360 H C 2.137 177.297 175.328 -0.279 0.000 1.080 360 H CA 2.111 57.876 56.048 -0.473 0.000 1.278 360 H CB -0.017 29.310 29.762 -0.725 0.000 1.365 360 H HN 0.034 nan 8.280 nan 0.000 0.489 361 E N 0.688 120.869 120.200 -0.031 0.000 2.065 361 E HA -0.230 4.119 4.350 -0.000 0.000 0.201 361 E C 2.354 178.931 176.600 -0.039 0.000 1.016 361 E CA 1.711 58.115 56.400 0.007 0.000 0.818 361 E CB -0.936 28.809 29.700 0.075 0.000 0.749 361 E HN 0.592 nan 8.360 nan 0.000 0.453 362 A N 0.215 123.017 122.820 -0.030 0.000 1.908 362 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 362 A C 2.499 180.055 177.584 -0.046 0.000 1.181 362 A CA 1.802 53.826 52.037 -0.021 0.000 0.627 362 A CB -0.772 18.227 19.000 -0.003 0.000 0.818 362 A HN 0.359 nan 8.150 nan 0.000 0.445 363 I N -1.219 119.299 120.570 -0.087 0.000 2.315 363 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 363 I C 0.854 176.906 176.117 -0.107 0.000 1.117 363 I CA 0.950 62.202 61.300 -0.080 0.000 1.404 363 I CB -0.407 37.566 38.000 -0.045 0.000 1.071 363 I HN 0.492 nan 8.210 nan 0.000 0.419 364 N N 0.721 119.302 118.700 -0.197 0.000 2.681 364 N HA -0.111 4.629 4.740 -0.000 0.000 0.259 364 N C -2.386 173.075 175.510 -0.081 0.000 1.066 364 N CA 0.081 53.064 53.050 -0.110 0.000 0.717 364 N CB -0.631 37.855 38.487 -0.001 0.000 0.885 364 N HN 0.206 nan 8.380 nan 0.000 0.547 365 P HA 0.316 nan 4.420 nan 0.000 0.281 365 P C 0.173 177.508 177.300 0.057 0.000 1.249 365 P CA -0.306 62.772 63.100 -0.036 0.000 0.810 365 P CB 0.861 32.555 31.700 -0.011 0.000 1.008 366 D N 0.075 120.516 120.400 0.068 0.000 2.123 366 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 366 D C 0.400 176.772 176.300 0.120 0.000 0.976 366 D CA 1.499 55.550 54.000 0.085 0.000 0.831 366 D CB -0.005 40.830 40.800 0.058 0.000 0.974 366 D HN 0.151 nan 8.370 nan 0.000 0.469 367 L N -0.158 121.144 121.223 0.131 0.000 2.408 367 L HA 0.371 4.711 4.340 -0.000 0.000 0.268 367 L C -0.997 176.007 176.870 0.223 0.000 0.986 367 L CA -0.239 54.706 54.840 0.174 0.000 0.820 367 L CB 2.484 44.643 42.059 0.168 0.000 1.303 367 L HN -0.312 nan 8.230 nan 0.000 0.411 368 T N 3.567 118.281 114.554 0.266 0.000 2.812 368 T HA 0.592 4.942 4.350 -0.000 0.000 0.282 368 T C -0.822 174.071 174.700 0.321 0.000 0.990 368 T CA -0.412 61.894 62.100 0.343 0.000 0.960 368 T CB 1.568 70.653 68.868 0.361 0.000 0.948 368 T HN 0.288 nan 8.240 nan 0.000 0.438 369 V N 3.803 123.928 119.914 0.351 0.000 2.407 369 V HA 0.669 4.789 4.120 -0.000 0.000 0.278 369 V C 0.509 176.809 176.094 0.345 0.000 1.037 369 V CA -0.591 61.887 62.300 0.296 0.000 0.900 369 V CB 0.322 32.300 31.823 0.259 0.000 0.983 369 V HN 1.231 nan 8.190 nan 0.000 0.459 370 C N 2.368 121.808 119.300 0.232 0.000 3.314 370 C HA 0.918 5.378 4.460 -0.000 0.000 0.344 370 C C 0.469 175.489 174.990 0.050 0.000 1.461 370 C CA -0.417 58.683 59.018 0.138 0.000 1.249 370 C CB 1.142 28.880 27.740 -0.003 0.000 1.632 370 C HN 1.046 nan 8.230 nan 0.000 0.452 371 G N 0.139 108.889 108.800 -0.083 0.000 2.599 371 G HA2 0.474 4.434 3.960 -0.000 0.000 0.264 371 G HA3 0.474 4.434 3.960 -0.000 0.000 0.264 371 G C 0.435 175.274 174.900 -0.103 0.000 1.200 371 G CA -0.493 44.528 45.100 -0.132 0.000 0.896 371 G HN 0.812 nan 8.290 nan 0.000 0.536 372 L N 1.578 122.744 121.223 -0.095 0.000 2.127 372 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 372 L C 2.974 179.759 176.870 -0.143 0.000 1.089 372 L CA 1.972 56.746 54.840 -0.109 0.000 0.757 372 L CB -1.302 40.682 42.059 -0.125 0.000 0.899 372 L HN 0.692 nan 8.230 nan 0.000 0.434 373 G N -1.578 107.112 108.800 -0.185 0.000 2.443 373 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 373 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 373 G C 1.517 176.311 174.900 -0.177 0.000 1.131 373 G CA 0.258 45.254 45.100 -0.173 0.000 0.775 373 G HN 0.272 nan 8.290 nan 0.000 0.547 374 L N 0.394 121.489 121.223 -0.214 0.000 2.408 374 L HA 0.443 4.783 4.340 -0.000 0.000 0.215 374 L C 2.973 179.745 176.870 -0.164 0.000 1.081 374 L CA 0.845 55.536 54.840 -0.247 0.000 0.840 374 L CB -0.691 41.115 42.059 -0.422 0.000 1.002 374 L HN 0.230 nan 8.230 nan 0.000 0.468 375 A N 0.184 122.941 122.820 -0.106 0.000 1.841 375 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 375 A C 2.145 179.712 177.584 -0.028 0.000 1.199 375 A CA 2.370 54.387 52.037 -0.034 0.000 0.621 375 A CB -0.920 18.085 19.000 0.010 0.000 0.835 375 A HN 0.518 nan 8.150 nan 0.000 0.445 376 N N -0.217 118.453 118.700 -0.050 0.000 2.084 376 N HA -0.101 4.638 4.740 -0.000 0.000 0.190 376 N C -1.016 174.478 175.510 -0.027 0.000 1.030 376 N CA 1.639 54.667 53.050 -0.037 0.000 0.849 376 N CB -0.686 37.770 38.487 -0.052 0.000 1.012 376 N HN 0.335 nan 8.380 nan 0.000 0.423 377 P HA -0.165 nan 4.420 nan 0.000 0.216 377 P C 1.157 178.455 177.300 -0.003 0.000 1.157 377 P CA 0.918 63.997 63.100 -0.035 0.000 0.880 377 P CB 0.078 31.738 31.700 -0.066 0.000 0.791 378 L N -0.229 120.991 121.223 -0.006 0.000 2.012 378 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 378 L C 2.319 179.272 176.870 0.138 0.000 1.073 378 L CA 1.854 56.743 54.840 0.083 0.000 0.748 378 L CB -1.715 40.350 42.059 0.010 0.000 0.891 378 L HN 0.030 nan 8.230 nan 0.000 0.431 379 E N -0.368 119.878 120.200 0.077 0.000 2.033 379 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 379 E C 2.214 178.831 176.600 0.028 0.000 1.011 379 E CA 1.501 57.937 56.400 0.060 0.000 0.815 379 E CB -0.441 29.284 29.700 0.040 0.000 0.755 379 E HN 0.451 nan 8.360 nan 0.000 0.451 380 A N 1.208 124.038 122.820 0.016 0.000 1.971 380 A HA -0.236 4.084 4.320 -0.000 0.000 0.222 380 A C 2.018 179.599 177.584 -0.004 0.000 1.182 380 A CA 2.025 54.063 52.037 0.002 0.000 0.649 380 A CB -0.361 18.638 19.000 -0.002 0.000 0.818 380 A HN 0.047 nan 8.150 nan 0.000 0.458 381 K N -1.765 118.642 120.400 0.012 0.000 2.446 381 K HA 0.335 4.655 4.320 -0.000 0.000 0.203 381 K C 0.914 177.423 176.600 -0.153 0.000 1.027 381 K CA 0.740 57.019 56.287 -0.013 0.000 1.166 381 K CB -0.097 32.443 32.500 0.066 0.000 0.869 381 K HN 0.694 nan 8.250 nan 0.000 0.504 382 G N -0.112 108.606 108.800 -0.138 0.000 2.213 382 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.226 382 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.226 382 G C -0.505 174.263 174.900 -0.220 0.000 0.992 382 G CA -0.211 44.763 45.100 -0.210 0.000 0.632 382 G HN 0.506 nan 8.290 nan 0.000 0.511 383 H N 1.221 120.330 119.070 0.065 0.000 2.562 383 H HA 0.653 5.209 4.556 -0.000 0.000 0.314 383 H C 0.745 176.127 175.328 0.089 0.000 1.079 383 H CA 0.171 56.275 56.048 0.093 0.000 1.349 383 H CB 1.493 31.363 29.762 0.179 0.000 1.432 383 H HN 0.570 nan 8.280 nan 0.000 0.479 384 A N 3.270 126.207 122.820 0.194 0.000 2.477 384 A HA 0.392 4.711 4.320 -0.000 0.000 0.246 384 A C 0.559 178.256 177.584 0.188 0.000 1.078 384 A CA -0.001 52.130 52.037 0.156 0.000 0.770 384 A CB -0.127 18.948 19.000 0.125 0.000 1.011 384 A HN 0.811 nan 8.150 nan 0.000 0.494 385 T N -0.075 114.579 114.554 0.167 0.000 2.916 385 T HA 0.727 5.077 4.350 -0.000 0.000 0.292 385 T C -0.756 174.048 174.700 0.173 0.000 1.064 385 T CA -0.914 61.293 62.100 0.179 0.000 1.011 385 T CB 1.782 70.741 68.868 0.152 0.000 1.152 385 T HN 0.530 nan 8.240 nan 0.000 0.510 386 K N 2.386 122.892 120.400 0.177 0.000 2.668 386 K HA 0.189 4.509 4.320 -0.000 0.000 0.246 386 K C -0.716 175.943 176.600 0.098 0.000 0.976 386 K CA -0.732 55.617 56.287 0.104 0.000 0.902 386 K CB 0.939 33.441 32.500 0.003 0.000 1.172 386 K HN 0.873 nan 8.250 nan 0.000 0.452 387 W N 3.941 125.224 121.300 -0.029 0.000 2.322 387 W HA 0.197 4.857 4.660 -0.000 0.000 0.328 387 W C 0.439 176.934 176.519 -0.041 0.000 1.395 387 W CA -0.119 57.210 57.345 -0.027 0.000 1.267 387 W CB -0.425 29.021 29.460 -0.022 0.000 1.259 387 W HN 0.582 nan 8.180 nan 0.000 0.560 388 A N 5.650 128.495 122.820 0.041 0.000 1.940 388 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 388 A C 1.926 179.429 177.584 -0.135 0.000 1.176 388 A CA 1.848 53.858 52.037 -0.046 0.000 0.631 388 A CB -0.460 18.588 19.000 0.081 0.000 0.814 388 A HN 0.659 nan 8.150 nan 0.000 0.446 389 I N -0.003 120.577 120.570 0.017 0.000 2.423 389 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 389 I C 2.111 178.061 176.117 -0.277 0.000 1.151 389 I CA 1.666 63.061 61.300 0.159 0.000 1.421 389 I CB -1.765 36.560 38.000 0.542 0.000 1.079 389 I HN 0.529 nan 8.210 nan 0.000 0.431 390 E N 1.427 120.953 120.200 -1.123 0.000 2.209 390 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 390 E C 2.074 177.991 176.600 -1.138 0.000 0.993 390 E CA 0.857 56.282 56.400 -1.625 0.000 0.819 390 E CB -0.082 28.568 29.700 -1.749 0.000 0.745 390 E HN 0.504 nan 8.360 nan 0.000 0.477 391 L N -0.125 120.695 121.223 -0.671 0.000 2.599 391 L HA -0.038 4.302 4.340 -0.000 0.000 0.230 391 L C 1.397 178.076 176.870 -0.318 0.000 1.141 391 L CA -0.083 54.492 54.840 -0.440 0.000 0.877 391 L CB 0.497 42.367 42.059 -0.314 0.000 1.009 391 L HN 0.100 nan 8.230 nan 0.000 0.447 392 V N -2.872 116.849 119.914 -0.321 0.000 3.379 392 V HA -0.052 4.068 4.120 -0.000 0.000 0.249 392 V C 1.771 177.740 176.094 -0.208 0.000 1.184 392 V CA 0.424 62.517 62.300 -0.344 0.000 1.106 392 V CB -0.405 31.092 31.823 -0.543 0.000 0.826 392 V HN 0.392 nan 8.190 nan 0.000 0.465 393 F N 1.248 121.138 119.950 -0.099 0.000 2.374 393 F HA 0.332 4.859 4.527 -0.000 0.000 0.291 393 F C 1.014 176.790 175.800 -0.040 0.000 1.084 393 F CA 0.007 57.988 58.000 -0.032 0.000 1.413 393 F CB -1.551 37.488 39.000 0.064 0.000 1.099 393 F HN -0.089 nan 8.300 nan 0.000 0.534 394 T N 4.172 118.570 114.554 -0.259 0.000 2.916 394 T HA 0.189 4.539 4.350 -0.000 0.000 0.303 394 T C -2.466 172.203 174.700 -0.053 0.000 1.025 394 T CA -0.797 61.229 62.100 -0.123 0.000 1.142 394 T CB 0.414 69.099 68.868 -0.306 0.000 0.947 394 T HN -0.050 nan 8.240 nan 0.000 0.544 395 P HA 0.143 nan 4.420 nan 0.000 0.265 395 P C 0.573 177.885 177.300 0.020 0.000 1.222 395 P CA -0.125 62.993 63.100 0.030 0.000 0.767 395 P CB 0.367 32.083 31.700 0.028 0.000 0.801 396 V N 0.281 120.239 119.914 0.073 0.000 3.480 396 V HA 0.212 4.332 4.120 -0.000 0.000 0.263 396 V C 0.463 176.563 176.094 0.011 0.000 1.442 396 V CA 0.206 62.513 62.300 0.011 0.000 1.053 396 V CB -1.072 30.714 31.823 -0.061 0.000 0.846 396 V HN 0.318 nan 8.190 nan 0.000 0.440 397 H N 0.253 119.317 119.070 -0.009 0.000 2.607 397 H HA 0.642 5.198 4.556 -0.000 0.000 0.367 397 H C -0.224 175.095 175.328 -0.015 0.000 1.181 397 H CA 0.087 56.036 56.048 -0.166 0.000 1.402 397 H CB 0.171 29.852 29.762 -0.137 0.000 1.474 397 H HN 0.195 nan 8.280 nan 0.000 0.596 398 F N -1.904 117.833 119.950 -0.356 0.000 2.183 398 F HA -0.385 4.142 4.527 -0.000 0.000 0.318 398 F C 0.668 176.306 175.800 -0.269 0.000 0.269 398 F CA 0.372 58.128 58.000 -0.407 0.000 0.912 398 F CB -1.202 37.605 39.000 -0.322 0.000 4.135 398 F HN 0.526 nan 8.300 nan 0.000 0.137 399 Y N -0.590 119.796 120.300 0.143 0.000 2.130 399 Y HA -0.064 4.485 4.550 -0.000 0.000 0.287 399 Y C 2.219 178.150 175.900 0.053 0.000 1.124 399 Y CA 1.808 59.947 58.100 0.064 0.000 1.118 399 Y CB -0.700 37.796 38.460 0.061 0.000 0.994 399 Y HN 0.474 nan 8.280 nan 0.000 0.497 400 E N -0.159 120.176 120.200 0.225 0.000 2.204 400 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 400 E C 1.707 178.367 176.600 0.100 0.000 0.990 400 E CA 1.048 57.528 56.400 0.133 0.000 0.821 400 E CB -0.197 29.557 29.700 0.091 0.000 0.750 400 E HN 0.419 nan 8.360 nan 0.000 0.477 401 Q N -1.013 118.839 119.800 0.086 0.000 2.360 401 Q HA 0.305 4.645 4.340 -0.000 0.000 0.202 401 Q C 1.597 177.617 176.000 0.033 0.000 0.915 401 Q CA 0.608 56.442 55.803 0.052 0.000 0.943 401 Q CB 0.273 29.034 28.738 0.038 0.000 1.064 401 Q HN 0.249 nan 8.270 nan 0.000 0.511 402 A N 0.563 123.415 122.820 0.053 0.000 1.883 402 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 402 A C 2.216 179.884 177.584 0.140 0.000 1.186 402 A CA 1.802 53.865 52.037 0.042 0.000 0.624 402 A CB -1.238 17.832 19.000 0.118 0.000 0.822 402 A HN 0.449 nan 8.150 nan 0.000 0.444 403 G N -0.136 108.767 108.800 0.172 0.000 2.422 403 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 403 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 403 G C 1.023 176.012 174.900 0.148 0.000 1.146 403 G CA 1.378 46.616 45.100 0.230 0.000 0.769 403 G HN 0.539 nan 8.290 nan 0.000 0.547 404 D N 0.129 120.583 120.400 0.090 0.000 2.117 404 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 404 D C 2.246 178.521 176.300 -0.041 0.000 0.987 404 D CA 0.418 54.432 54.000 0.024 0.000 0.829 404 D CB -0.315 40.499 40.800 0.023 0.000 0.961 404 D HN 0.222 nan 8.370 nan 0.000 0.460 405 L N 1.285 122.499 121.223 -0.014 0.000 1.970 405 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 405 L C 2.087 179.049 176.870 0.152 0.000 1.071 405 L CA 2.087 56.927 54.840 -0.001 0.000 0.751 405 L CB -1.244 40.748 42.059 -0.111 0.000 0.889 405 L HN 0.053 nan 8.230 nan 0.000 0.432 406 A N -0.620 122.336 122.820 0.226 0.000 1.978 406 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 406 A C 2.339 179.773 177.584 -0.250 0.000 1.170 406 A CA 1.591 53.729 52.037 0.169 0.000 0.636 406 A CB -1.576 17.509 19.000 0.142 0.000 0.810 406 A HN 0.602 nan 8.150 nan 0.000 0.448 407 G N -0.163 108.281 108.800 -0.594 0.000 2.440 407 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 407 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 407 G C 1.308 176.084 174.900 -0.206 0.000 1.154 407 G CA 1.081 45.869 45.100 -0.519 0.000 0.767 407 G HN 0.345 nan 8.290 nan 0.000 0.552 408 L N -0.248 120.832 121.223 -0.238 0.000 2.137 408 L HA -0.036 4.304 4.340 -0.000 0.000 0.213 408 L C 2.485 179.039 176.870 -0.527 0.000 1.085 408 L CA 1.305 55.885 54.840 -0.433 0.000 0.760 408 L CB -1.061 40.600 42.059 -0.662 0.000 0.893 408 L HN 0.291 nan 8.230 nan 0.000 0.434 409 F N -1.503 118.394 119.950 -0.089 0.000 2.505 409 F HA -0.003 4.524 4.527 -0.000 0.000 0.289 409 F C 2.570 178.362 175.800 -0.014 0.000 1.101 409 F CA 0.690 58.664 58.000 -0.044 0.000 1.446 409 F CB -0.823 38.156 39.000 -0.036 0.000 1.123 409 F HN 0.071 nan 8.300 nan 0.000 0.564 410 S N 0.753 116.542 115.700 0.148 0.000 2.356 410 S HA -0.243 4.227 4.470 -0.000 0.000 0.223 410 S C 2.134 176.802 174.600 0.112 0.000 1.032 410 S CA 1.098 59.384 58.200 0.143 0.000 1.005 410 S CB -0.739 62.596 63.200 0.226 0.000 0.867 410 S HN 0.318 nan 8.310 nan 0.000 0.449 411 R N 2.169 122.713 120.500 0.073 0.000 2.112 411 R HA -0.101 4.239 4.340 -0.000 0.000 0.242 411 R C -0.816 175.525 176.300 0.069 0.000 1.137 411 R CA 2.295 58.434 56.100 0.066 0.000 0.944 411 R CB -1.382 28.938 30.300 0.033 0.000 0.857 411 R HN 0.400 nan 8.270 nan 0.000 0.435 412 P HA -0.132 nan 4.420 nan 0.000 0.217 412 P C 1.031 178.381 177.300 0.083 0.000 1.150 412 P CA 1.242 64.390 63.100 0.080 0.000 0.832 412 P CB -0.010 31.746 31.700 0.092 0.000 0.787 413 L N -0.913 120.364 121.223 0.090 0.000 2.056 413 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 413 L C 2.691 179.602 176.870 0.070 0.000 1.078 413 L CA 1.441 56.331 54.840 0.083 0.000 0.749 413 L CB -0.647 41.465 42.059 0.088 0.000 0.901 413 L HN -0.113 nan 8.230 nan 0.000 0.433 414 R N -0.189 120.356 120.500 0.074 0.000 2.105 414 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 414 R C 2.326 178.659 176.300 0.055 0.000 1.135 414 R CA 1.357 57.496 56.100 0.065 0.000 0.967 414 R CB -0.496 29.849 30.300 0.075 0.000 0.861 414 R HN 0.369 nan 8.270 nan 0.000 0.442 415 R N 1.286 121.821 120.500 0.058 0.000 2.090 415 R HA -0.099 4.241 4.340 -0.000 0.000 0.228 415 R C 2.411 178.738 176.300 0.045 0.000 1.110 415 R CA 1.261 57.392 56.100 0.051 0.000 0.973 415 R CB -0.086 30.247 30.300 0.055 0.000 0.869 415 R HN 0.079 nan 8.270 nan 0.000 0.440 416 R N 0.246 120.776 120.500 0.049 0.000 2.081 416 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 416 R C 2.039 178.359 176.300 0.034 0.000 1.131 416 R CA 1.680 57.805 56.100 0.042 0.000 0.960 416 R CB -0.371 29.959 30.300 0.050 0.000 0.856 416 R HN 0.269 nan 8.270 nan 0.000 0.436 417 A N 1.204 124.047 122.820 0.037 0.000 1.877 417 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 417 A C 2.200 179.800 177.584 0.026 0.000 1.186 417 A CA 1.458 53.513 52.037 0.031 0.000 0.620 417 A CB -0.694 18.326 19.000 0.034 0.000 0.822 417 A HN 0.472 nan 8.150 nan 0.000 0.443 418 L N -0.653 120.588 121.223 0.029 0.000 2.201 418 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 418 L C 1.700 178.584 176.870 0.022 0.000 1.105 418 L CA 0.808 55.663 54.840 0.026 0.000 0.775 418 L CB -0.097 41.980 42.059 0.030 0.000 0.913 418 L HN 0.373 nan 8.230 nan 0.000 0.440 419 L N 0.339 121.575 121.223 0.023 0.000 2.599 419 L HA 0.061 4.401 4.340 -0.000 0.000 0.230 419 L C -0.216 176.662 176.870 0.014 0.000 1.141 419 L CA -0.115 54.736 54.840 0.018 0.000 0.877 419 L CB -0.729 41.341 42.059 0.019 0.000 1.009 419 L HN 0.553 nan 8.230 nan 0.000 0.447 420 N N 0.000 118.708 118.700 0.014 0.000 1.763 420 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 420 N CA 0.000 53.056 53.050 0.010 0.000 0.885 420 N CB 0.000 38.491 38.487 0.007 0.000 1.341 420 N HN 0.000 nan 8.380 nan 0.000 0.667