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 3ean_1_C DATA FIRST_RESID 14 DATA SEQUENCE DLIIIGGGSG GLAAAKEAAK FDKKVMVLDF VTPTPLGTRW GLGGTcVNVG DATA SEQUENCE cIPKKLMHQA ALLGQALKDS RNYGWKLEDT VKHDWEKMTE SVQNHIGSLN DATA SEQUENCE WGYRVALREK KVVYENAYGK FIGPHKIMAT NNKGKEKVYS AERFLIATGE DATA SEQUENCE RPRYLGIPGD KEYCISSDDL FSLPYCPGKT LVVGASYVAL ECAGFLAGIG DATA SEQUENCE LDVTVMVRSI LLRGFDQDMA NKIGEHMEEH GIKFIRQFVP TKIEQIEAGT DATA SEQUENCE PGRLKVTAKS TNSEETIEDE FNTVLLAVGR DSCTRTIGLE TVGVKINEKT DATA SEQUENCE GKIPVTDEEQ TNVPYIYAIG DILEGKLELT PVAIQAGRLL AQRLYGGSTV DATA SEQUENCE KCDYDNVPTT VFTPLEYGCC GLSEEKAVEK FGEENIEVYH SFFWPLEWTV DATA SEQUENCE PSRDNNKCYA KVICNLKDNE RVVGFHVLGP NAGEVTQGFA AALKCGLTKQ DATA SEQUENCE QLDSTIGIHP VCAEIFTTLS VTKRSGGDIL QSGCXG 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.297 176.300 -0.005 0.000 2.045 14 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 14 D CB 0.000 40.755 40.800 -0.075 0.000 0.688 15 L N 2.005 123.191 121.223 -0.061 0.000 2.470 15 L HA 0.549 4.890 4.340 0.001 0.000 0.268 15 L C -1.808 174.968 176.870 -0.157 0.000 0.964 15 L CA -0.438 54.364 54.840 -0.065 0.000 0.839 15 L CB 1.980 44.080 42.059 0.068 0.000 1.276 15 L HN -0.074 nan 8.230 nan 0.000 0.403 16 I N 6.023 126.413 120.570 -0.300 0.000 2.362 16 I HA 0.422 4.592 4.170 0.001 0.000 0.289 16 I C -0.579 175.529 176.117 -0.015 0.000 0.994 16 I CA -0.438 60.736 61.300 -0.209 0.000 1.158 16 I CB 1.648 39.472 38.000 -0.295 0.000 1.315 16 I HN 0.516 nan 8.210 nan 0.000 0.451 17 I N 7.370 127.949 120.570 0.015 0.000 2.321 17 I HA 0.325 4.495 4.170 0.001 0.000 0.291 17 I C -0.219 175.926 176.117 0.047 0.000 0.998 17 I CA -0.366 60.970 61.300 0.061 0.000 1.227 17 I CB 1.155 39.181 38.000 0.042 0.000 1.368 17 I HN 0.371 nan 8.210 nan 0.000 0.466 18 I N 6.398 127.002 120.570 0.056 0.000 2.297 18 I HA 0.569 4.739 4.170 0.001 0.000 0.291 18 I C 0.536 176.652 176.117 -0.002 0.000 1.033 18 I CA -0.220 61.072 61.300 -0.015 0.000 1.253 18 I CB 0.757 38.707 38.000 -0.084 0.000 1.396 18 I HN 0.799 nan 8.210 nan 0.000 0.476 19 G N 3.682 112.485 108.800 0.005 0.000 3.367 19 G HA2 0.061 4.021 3.960 0.001 0.000 0.686 19 G HA3 0.061 4.021 3.960 0.001 0.000 0.686 19 G C -0.121 174.798 174.900 0.031 0.000 1.146 19 G CA -0.550 44.568 45.100 0.030 0.000 0.913 19 G HN 0.983 nan 8.290 nan 0.000 0.554 20 G N 0.907 109.727 108.800 0.032 0.000 4.637 20 G HA2 0.703 4.664 3.960 0.001 0.000 0.308 20 G HA3 0.703 4.664 3.960 0.001 0.000 0.308 20 G C 0.796 175.643 174.900 -0.089 0.000 1.377 20 G CA 0.859 45.941 45.100 -0.029 0.000 1.176 20 G HN 1.258 nan 8.290 nan 0.000 0.601 21 G N 0.140 108.909 108.800 -0.051 0.000 2.641 21 G HA2 0.380 4.340 3.960 0.001 0.000 0.239 21 G HA3 0.380 4.340 3.960 0.001 0.000 0.239 21 G C 1.242 176.074 174.900 -0.115 0.000 1.402 21 G CA 0.375 45.434 45.100 -0.068 0.000 1.046 21 G HN 0.193 nan 8.290 nan 0.000 0.565 22 S N -0.214 115.445 115.700 -0.070 0.000 2.377 22 S HA -0.168 4.302 4.470 0.001 0.000 0.224 22 S C 2.481 177.068 174.600 -0.021 0.000 1.042 22 S CA 2.034 60.207 58.200 -0.046 0.000 1.086 22 S CB -0.907 62.293 63.200 -0.000 0.000 0.995 22 S HN 0.788 nan 8.310 nan 0.000 0.428 23 G N 0.896 109.701 108.800 0.008 0.000 2.453 23 G HA2 -0.041 3.919 3.960 0.001 0.000 0.215 23 G HA3 -0.041 3.919 3.960 0.001 0.000 0.215 23 G C 1.505 176.414 174.900 0.017 0.000 1.201 23 G CA 1.020 46.135 45.100 0.025 0.000 0.784 23 G HN 0.589 nan 8.290 nan 0.000 0.545 24 G N 1.010 109.817 108.800 0.011 0.000 2.529 24 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 24 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 24 G C 1.824 176.717 174.900 -0.012 0.000 1.177 24 G CA 0.975 46.081 45.100 0.009 0.000 0.773 24 G HN 0.415 nan 8.290 nan 0.000 0.573 25 L N 0.566 121.755 121.223 -0.058 0.000 2.141 25 L HA -0.012 4.329 4.340 0.001 0.000 0.209 25 L C 3.378 180.241 176.870 -0.011 0.000 1.094 25 L CA 0.798 55.596 54.840 -0.071 0.000 0.763 25 L CB -0.379 41.562 42.059 -0.198 0.000 0.908 25 L HN 0.342 nan 8.230 nan 0.000 0.437 26 A N 0.209 123.029 122.820 0.000 0.000 1.873 26 A HA -0.112 4.209 4.320 0.001 0.000 0.215 26 A C 2.570 180.173 177.584 0.032 0.000 1.186 26 A CA 1.527 53.577 52.037 0.023 0.000 0.616 26 A CB -0.661 18.352 19.000 0.022 0.000 0.823 26 A HN 0.359 nan 8.150 nan 0.000 0.442 27 A N -0.075 122.766 122.820 0.034 0.000 1.908 27 A HA 0.117 4.437 4.320 0.001 0.000 0.218 27 A C 2.488 180.108 177.584 0.061 0.000 1.181 27 A CA 2.238 54.306 52.037 0.051 0.000 0.627 27 A CB -0.983 18.046 19.000 0.049 0.000 0.818 27 A HN 1.042 nan 8.150 nan 0.000 0.445 28 A N -0.195 122.647 122.820 0.037 0.000 1.898 28 A HA -0.144 4.176 4.320 0.001 0.000 0.216 28 A C 2.171 179.768 177.584 0.022 0.000 1.181 28 A CA 1.878 53.931 52.037 0.027 0.000 0.620 28 A CB -0.425 18.579 19.000 0.006 0.000 0.819 28 A HN 0.498 nan 8.150 nan 0.000 0.442 29 K N -0.386 120.025 120.400 0.019 0.000 2.148 29 K HA -0.186 4.134 4.320 0.001 0.000 0.204 29 K C 1.794 178.397 176.600 0.006 0.000 1.050 29 K CA 1.845 58.136 56.287 0.006 0.000 0.942 29 K CB -0.070 32.438 32.500 0.013 0.000 0.724 29 K HN 0.370 nan 8.250 nan 0.000 0.446 30 E N 0.434 120.660 120.200 0.045 0.000 2.076 30 E HA 0.037 4.387 4.350 0.001 0.000 0.190 30 E C 1.696 178.396 176.600 0.166 0.000 0.979 30 E CA 1.213 57.661 56.400 0.081 0.000 0.807 30 E CB -0.123 29.650 29.700 0.121 0.000 0.761 30 E HN 0.363 nan 8.360 nan 0.000 0.454 31 A N 0.801 123.737 122.820 0.193 0.000 1.933 31 A HA -0.070 4.250 4.320 0.001 0.000 0.218 31 A C 2.378 180.022 177.584 0.099 0.000 1.175 31 A CA 1.855 54.041 52.037 0.249 0.000 0.628 31 A CB -0.913 18.188 19.000 0.167 0.000 0.814 31 A HN 0.330 nan 8.150 nan 0.000 0.444 32 A N -0.210 122.615 122.820 0.009 0.000 2.076 32 A HA -0.164 4.156 4.320 0.001 0.000 0.220 32 A C 2.000 179.520 177.584 -0.108 0.000 1.160 32 A CA 1.709 53.715 52.037 -0.052 0.000 0.653 32 A CB -0.442 18.528 19.000 -0.051 0.000 0.801 32 A HN 0.562 nan 8.150 nan 0.000 0.455 33 K N -1.400 118.885 120.400 -0.192 0.000 2.281 33 K HA -0.114 4.206 4.320 0.001 0.000 0.203 33 K C 0.251 176.517 176.600 -0.557 0.000 1.046 33 K CA 1.240 57.267 56.287 -0.434 0.000 0.938 33 K CB -0.241 31.850 32.500 -0.681 0.000 0.737 33 K HN 0.627 nan 8.250 nan 0.000 0.458 34 F N 0.573 120.486 119.950 -0.062 0.000 2.639 34 F HA 0.085 4.612 4.527 0.000 0.000 0.300 34 F C -0.099 175.634 175.800 -0.112 0.000 1.109 34 F CA -0.639 57.319 58.000 -0.070 0.000 1.335 34 F CB -0.028 38.944 39.000 -0.047 0.000 1.014 34 F HN -0.015 nan 8.300 nan 0.000 0.537 35 D N 1.905 122.297 120.400 -0.013 0.000 2.803 35 D HA -0.201 4.439 4.640 0.001 0.000 0.233 35 D C -0.508 175.752 176.300 -0.067 0.000 1.182 35 D CA 0.567 54.544 54.000 -0.039 0.000 0.726 35 D CB -0.265 40.521 40.800 -0.024 0.000 0.987 35 D HN 0.025 nan 8.370 nan 0.000 0.412 36 K N 1.426 121.753 120.400 -0.123 0.000 2.267 36 K HA 0.410 4.730 4.320 0.001 0.000 0.246 36 K C 0.225 176.744 176.600 -0.135 0.000 0.954 36 K CA -0.880 55.294 56.287 -0.189 0.000 0.824 36 K CB 1.269 33.514 32.500 -0.425 0.000 1.167 36 K HN 0.111 nan 8.250 nan 0.000 0.431 37 K N 1.547 121.880 120.400 -0.112 0.000 2.338 37 K HA 0.246 4.566 4.320 0.001 0.000 0.290 37 K C -0.431 176.114 176.600 -0.092 0.000 1.069 37 K CA -0.249 55.989 56.287 -0.081 0.000 0.941 37 K CB 0.565 33.031 32.500 -0.056 0.000 1.023 37 K HN 0.191 nan 8.250 nan 0.000 0.477 38 V N 4.549 124.414 119.914 -0.081 0.000 2.656 38 V HA 0.445 4.566 4.120 0.001 0.000 0.307 38 V C -0.460 175.591 176.094 -0.072 0.000 1.051 38 V CA -0.961 61.295 62.300 -0.074 0.000 0.893 38 V CB 1.813 33.602 31.823 -0.056 0.000 0.999 38 V HN 0.776 nan 8.190 nan 0.000 0.426 39 M N 4.421 123.968 119.600 -0.089 0.000 2.326 39 M HA 0.697 5.177 4.480 0.001 0.000 0.306 39 M C -1.782 174.484 176.300 -0.057 0.000 1.054 39 M CA -0.521 54.719 55.300 -0.101 0.000 0.922 39 M CB 1.968 34.442 32.600 -0.210 0.000 1.632 39 M HN 0.454 nan 8.290 nan 0.000 0.436 40 V N 6.209 126.123 119.914 0.001 0.000 2.370 40 V HA 0.416 4.536 4.120 0.001 0.000 0.279 40 V C -0.325 175.814 176.094 0.076 0.000 1.029 40 V CA -0.623 61.709 62.300 0.053 0.000 0.870 40 V CB 1.421 33.302 31.823 0.096 0.000 0.984 40 V HN 0.785 nan 8.190 nan 0.000 0.451 41 L N 4.557 125.799 121.223 0.032 0.000 2.275 41 L HA 0.615 4.955 4.340 0.001 0.000 0.288 41 L C -0.620 176.311 176.870 0.101 0.000 1.046 41 L CA -0.129 54.727 54.840 0.026 0.000 0.805 41 L CB 1.400 43.436 42.059 -0.039 0.000 1.193 41 L HN 0.649 nan 8.230 nan 0.000 0.426 42 D N 2.702 123.220 120.400 0.196 0.000 2.936 42 D HA 0.528 5.168 4.640 0.001 0.000 0.238 42 D C -1.666 174.803 176.300 0.281 0.000 1.248 42 D CA -0.199 53.941 54.000 0.232 0.000 0.903 42 D CB 1.704 42.665 40.800 0.269 0.000 1.544 42 D HN 0.240 nan 8.370 nan 0.000 0.543 43 F N 3.668 123.665 119.950 0.078 0.000 2.581 43 F HA 0.520 5.047 4.527 0.000 0.000 0.311 43 F C -1.525 174.307 175.800 0.054 0.000 1.113 43 F CA -0.692 57.359 58.000 0.084 0.000 0.935 43 F CB 1.700 40.794 39.000 0.157 0.000 1.232 43 F HN 0.138 nan 8.300 nan 0.000 0.445 44 V N 4.449 124.105 119.914 -0.429 0.000 2.294 44 V HA 0.252 4.373 4.120 0.001 0.000 0.272 44 V C -0.018 175.871 176.094 -0.341 0.000 1.027 44 V CA -0.595 61.471 62.300 -0.389 0.000 0.823 44 V CB 1.056 32.400 31.823 -0.799 0.000 1.030 44 V HN 0.824 nan 8.190 nan 0.000 0.457 45 T N 4.738 119.339 114.554 0.079 0.000 2.916 45 T HA 0.377 4.728 4.350 0.001 0.000 0.303 45 T C -2.235 172.405 174.700 -0.100 0.000 1.025 45 T CA -1.218 60.951 62.100 0.115 0.000 1.142 45 T CB 0.903 69.860 68.868 0.149 0.000 0.947 45 T HN 0.418 nan 8.240 nan 0.000 0.544 46 P HA 0.236 nan 4.420 nan 0.000 0.274 46 P C 0.511 177.801 177.300 -0.016 0.000 1.237 46 P CA -0.517 62.513 63.100 -0.116 0.000 0.793 46 P CB 0.214 31.880 31.700 -0.056 0.000 0.977 47 T N -1.107 113.476 114.554 0.047 0.000 2.802 47 T HA 0.136 4.487 4.350 0.001 0.000 0.305 47 T C -1.690 173.056 174.700 0.078 0.000 1.053 47 T CA -1.191 60.991 62.100 0.137 0.000 1.058 47 T CB -0.645 68.357 68.868 0.224 0.000 0.988 47 T HN 0.205 nan 8.240 nan 0.000 0.539 48 P HA -0.022 nan 4.420 nan 0.000 0.218 48 P C 1.140 178.443 177.300 0.005 0.000 1.146 48 P CA 0.989 64.075 63.100 -0.023 0.000 0.813 48 P CB -0.107 31.511 31.700 -0.137 0.000 0.778 49 L N -3.019 118.240 121.223 0.061 0.000 2.592 49 L HA 0.274 4.614 4.340 0.001 0.000 0.227 49 L C 1.422 178.333 176.870 0.069 0.000 1.127 49 L CA 0.596 55.477 54.840 0.068 0.000 0.884 49 L CB -0.691 41.431 42.059 0.105 0.000 1.065 49 L HN 0.118 nan 8.230 nan 0.000 0.457 50 G N -0.146 108.690 108.800 0.059 0.000 2.141 50 G HA2 -0.234 3.726 3.960 0.001 0.000 0.231 50 G HA3 -0.234 3.726 3.960 0.001 0.000 0.231 50 G C 0.283 175.215 174.900 0.054 0.000 0.984 50 G CA 0.061 45.187 45.100 0.043 0.000 0.660 50 G HN 0.238 nan 8.290 nan 0.000 0.525 51 T N 1.190 115.806 114.554 0.102 0.000 2.870 51 T HA 0.546 4.896 4.350 0.001 0.000 0.300 51 T C 0.713 175.441 174.700 0.047 0.000 0.989 51 T CA 0.318 62.516 62.100 0.163 0.000 1.139 51 T CB 1.014 70.064 68.868 0.304 0.000 0.920 51 T HN 0.512 nan 8.240 nan 0.000 0.537 52 R N 1.462 121.980 120.500 0.030 0.000 2.892 52 R HA 0.779 5.120 4.340 0.001 0.000 0.265 52 R C -1.131 175.208 176.300 0.064 0.000 1.025 52 R CA -0.907 55.064 56.100 -0.215 0.000 0.982 52 R CB 1.776 31.972 30.300 -0.175 0.000 1.185 52 R HN 0.810 nan 8.270 nan 0.000 0.484 53 W N -1.230 120.072 121.300 0.003 0.000 2.959 53 W HA 0.715 5.375 4.660 0.001 0.000 0.358 53 W C -0.543 175.979 176.519 0.006 0.000 1.228 53 W CA -1.343 56.013 57.345 0.017 0.000 1.183 53 W CB 0.003 29.486 29.460 0.038 0.000 1.467 53 W HN 0.665 nan 8.180 nan 0.000 0.578 54 G N 0.484 109.478 108.800 0.322 0.000 2.525 54 G HA2 0.451 4.412 3.960 0.001 0.000 0.287 54 G HA3 0.451 4.412 3.960 0.001 0.000 0.287 54 G C -0.995 174.031 174.900 0.210 0.000 1.350 54 G CA -0.992 44.230 45.100 0.203 0.000 1.039 54 G HN 0.805 nan 8.290 nan 0.000 0.513 55 L N -0.221 121.071 121.223 0.115 0.000 2.483 55 L HA 0.437 4.778 4.340 0.001 0.000 0.275 55 L C 1.418 178.280 176.870 -0.014 0.000 1.220 55 L CA 2.162 57.001 54.840 -0.000 0.000 0.833 55 L CB 0.979 42.920 42.059 -0.197 0.000 1.102 55 L HN 1.253 nan 8.230 nan 0.000 0.490 56 G N 1.129 109.837 108.800 -0.154 0.000 2.367 56 G HA2 0.267 4.227 3.960 0.001 0.000 0.181 56 G HA3 0.267 4.227 3.960 0.001 0.000 0.181 56 G C 0.811 175.615 174.900 -0.161 0.000 1.000 56 G CA 0.082 44.990 45.100 -0.319 0.000 0.693 56 G HN 1.870 nan 8.290 nan 0.000 0.480 57 G N -0.982 107.827 108.800 0.015 0.000 2.642 57 G HA2 0.047 4.007 3.960 0.001 0.000 0.231 57 G HA3 0.047 4.007 3.960 0.001 0.000 0.231 57 G C 0.826 175.766 174.900 0.067 0.000 1.338 57 G CA 0.743 45.892 45.100 0.083 0.000 0.883 57 G HN 1.145 nan 8.290 nan 0.000 0.570 58 T N -0.499 114.093 114.554 0.063 0.000 2.737 58 T HA -0.150 4.201 4.350 0.001 0.000 0.265 58 T C 2.483 177.136 174.700 -0.079 0.000 1.038 58 T CA 2.499 64.597 62.100 -0.002 0.000 1.144 58 T CB -0.600 68.308 68.868 0.066 0.000 0.866 58 T HN 1.062 nan 8.240 nan 0.000 0.434 59 c N 1.285 119.865 118.600 -0.034 0.000 2.413 59 c HA -0.065 4.505 4.570 0.001 0.000 0.276 59 c C 2.756 176.790 174.090 -0.092 0.000 1.248 59 c CA 0.699 57.000 56.329 -0.046 0.000 1.742 59 c CB -1.229 41.277 42.510 -0.007 0.000 2.017 59 c HN 0.368 nan 8.230 nan 0.000 0.481 60 V N 1.583 121.453 119.914 -0.074 0.000 2.358 60 V HA -0.140 3.980 4.120 0.001 0.000 0.246 60 V C 2.257 178.265 176.094 -0.142 0.000 1.047 60 V CA 2.354 64.619 62.300 -0.058 0.000 1.035 60 V CB -0.617 31.218 31.823 0.021 0.000 0.658 60 V HN 0.602 nan 8.190 nan 0.000 0.452 61 N N -0.103 118.454 118.700 -0.238 0.000 2.439 61 N HA 0.027 4.767 4.740 0.001 0.000 0.176 61 N C 1.072 176.272 175.510 -0.516 0.000 1.029 61 N CA 1.570 54.383 53.050 -0.395 0.000 0.886 61 N CB 1.273 39.353 38.487 -0.678 0.000 1.057 61 N HN 0.536 nan 8.380 nan 0.000 0.437 62 V N -3.765 115.845 119.914 -0.507 0.000 3.399 62 V HA 0.602 4.722 4.120 0.001 0.000 0.357 62 V C 0.482 176.458 176.094 -0.197 0.000 1.480 62 V CA -0.211 61.875 62.300 -0.356 0.000 1.263 62 V CB 0.520 31.998 31.823 -0.575 0.000 1.103 62 V HN 0.113 nan 8.190 nan 0.000 0.533 63 G N 0.100 108.719 108.800 -0.302 0.000 3.382 63 G HA2 0.237 4.198 3.960 0.001 0.000 0.183 63 G HA3 0.237 4.198 3.960 0.001 0.000 0.183 63 G C 1.016 175.775 174.900 -0.235 0.000 1.246 63 G CA 0.656 45.660 45.100 -0.159 0.000 0.828 63 G HN 0.278 nan 8.290 nan 0.000 0.728 64 c N 1.000 119.539 118.600 -0.102 0.000 2.376 64 c HA -0.085 4.486 4.570 0.001 0.000 0.275 64 c C 2.729 176.690 174.090 -0.215 0.000 1.200 64 c CA 0.580 56.850 56.329 -0.099 0.000 1.756 64 c CB -1.398 41.094 42.510 -0.031 0.000 2.050 64 c HN 0.400 nan 8.230 nan 0.000 0.460 65 I N 2.405 122.848 120.570 -0.211 0.000 2.110 65 I HA -0.085 4.086 4.170 0.001 0.000 0.236 65 I C 0.107 176.034 176.117 -0.317 0.000 1.068 65 I CA 1.769 62.949 61.300 -0.201 0.000 1.333 65 I CB -2.774 35.167 38.000 -0.098 0.000 1.054 65 I HN 0.224 nan 8.210 nan 0.000 0.402 66 P HA -0.164 nan 4.420 nan 0.000 0.221 66 P C 1.613 178.479 177.300 -0.723 0.000 1.150 66 P CA 1.379 64.118 63.100 -0.603 0.000 0.800 66 P CB -0.084 31.124 31.700 -0.819 0.000 0.787 67 K N 1.267 121.200 120.400 -0.778 0.000 2.002 67 K HA -0.174 4.146 4.320 0.001 0.000 0.209 67 K C 2.142 178.566 176.600 -0.293 0.000 1.048 67 K CA 1.699 57.761 56.287 -0.375 0.000 0.930 67 K CB -0.498 31.942 32.500 -0.100 0.000 0.714 67 K HN -0.119 nan 8.250 nan 0.000 0.438 68 K N 1.077 121.277 120.400 -0.332 0.000 2.103 68 K HA -0.052 4.269 4.320 0.001 0.000 0.207 68 K C 2.188 178.643 176.600 -0.242 0.000 1.048 68 K CA 1.080 57.156 56.287 -0.351 0.000 0.930 68 K CB -0.237 31.992 32.500 -0.451 0.000 0.716 68 K HN 0.177 nan 8.250 nan 0.000 0.444 69 L N -0.288 120.768 121.223 -0.278 0.000 2.141 69 L HA -0.093 4.248 4.340 0.001 0.000 0.209 69 L C 2.401 179.110 176.870 -0.270 0.000 1.094 69 L CA 1.090 55.781 54.840 -0.248 0.000 0.763 69 L CB -0.265 41.650 42.059 -0.240 0.000 0.908 69 L HN 0.270 nan 8.230 nan 0.000 0.437 70 M N -1.582 117.781 119.600 -0.396 0.000 2.288 70 M HA -0.155 4.325 4.480 0.001 0.000 0.266 70 M C 2.258 178.315 176.300 -0.406 0.000 1.072 70 M CA 1.036 55.993 55.300 -0.570 0.000 1.132 70 M CB -0.436 31.469 32.600 -1.158 0.000 1.386 70 M HN 0.235 nan 8.290 nan 0.000 0.432 71 H N 0.600 119.461 119.070 -0.349 0.000 2.352 71 H HA -0.206 4.350 4.556 0.001 0.000 0.299 71 H C 2.018 177.321 175.328 -0.042 0.000 1.097 71 H CA 2.128 58.145 56.048 -0.051 0.000 1.311 71 H CB -0.037 29.720 29.762 -0.009 0.000 1.377 71 H HN 0.236 nan 8.280 nan 0.000 0.504 72 Q N 0.359 120.054 119.800 -0.174 0.000 2.124 72 Q HA -0.016 4.324 4.340 0.001 0.000 0.202 72 Q C 2.340 178.241 176.000 -0.166 0.000 0.977 72 Q CA 1.675 57.358 55.803 -0.201 0.000 0.850 72 Q CB -0.689 27.958 28.738 -0.151 0.000 0.901 72 Q HN 0.555 nan 8.270 nan 0.000 0.429 73 A N 0.085 122.818 122.820 -0.146 0.000 1.933 73 A HA -0.036 4.284 4.320 0.001 0.000 0.218 73 A C 2.246 179.768 177.584 -0.102 0.000 1.175 73 A CA 1.836 53.810 52.037 -0.105 0.000 0.628 73 A CB -1.024 17.916 19.000 -0.101 0.000 0.814 73 A HN 0.504 nan 8.150 nan 0.000 0.444 74 A N -0.291 122.478 122.820 -0.085 0.000 1.872 74 A HA 0.060 4.380 4.320 0.001 0.000 0.214 74 A C 2.138 179.676 177.584 -0.076 0.000 1.187 74 A CA 1.246 53.260 52.037 -0.037 0.000 0.614 74 A CB -0.594 18.459 19.000 0.089 0.000 0.826 74 A HN 0.444 nan 8.150 nan 0.000 0.442 75 L N -0.461 120.663 121.223 -0.166 0.000 2.043 75 L HA -0.238 4.102 4.340 0.001 0.000 0.212 75 L C 2.530 179.352 176.870 -0.080 0.000 1.075 75 L CA 1.350 56.106 54.840 -0.139 0.000 0.752 75 L CB -0.624 41.314 42.059 -0.202 0.000 0.891 75 L HN 0.382 nan 8.230 nan 0.000 0.432 76 L N -0.648 120.525 121.223 -0.084 0.000 2.191 76 L HA -0.138 4.202 4.340 0.001 0.000 0.212 76 L C 2.650 179.497 176.870 -0.039 0.000 1.103 76 L CA 1.106 55.910 54.840 -0.060 0.000 0.769 76 L CB -1.081 40.941 42.059 -0.061 0.000 0.908 76 L HN 0.328 nan 8.230 nan 0.000 0.438 77 G N -0.613 108.166 108.800 -0.035 0.000 2.446 77 G HA2 -0.352 3.608 3.960 0.001 0.000 0.217 77 G HA3 -0.352 3.608 3.960 0.001 0.000 0.217 77 G C 1.515 176.408 174.900 -0.011 0.000 1.168 77 G CA 0.772 45.864 45.100 -0.015 0.000 0.771 77 G HN 0.277 nan 8.290 nan 0.000 0.551 78 Q N 0.761 120.547 119.800 -0.024 0.000 2.084 78 Q HA 0.122 4.462 4.340 0.001 0.000 0.202 78 Q C 2.682 178.675 176.000 -0.012 0.000 0.978 78 Q CA 1.909 57.695 55.803 -0.029 0.000 0.844 78 Q CB -0.705 28.000 28.738 -0.056 0.000 0.898 78 Q HN 0.373 nan 8.270 nan 0.000 0.426 79 A N 0.260 123.071 122.820 -0.014 0.000 1.940 79 A HA -0.157 4.163 4.320 0.001 0.000 0.219 79 A C 2.106 179.689 177.584 -0.002 0.000 1.176 79 A CA 1.468 53.501 52.037 -0.007 0.000 0.631 79 A CB -0.827 18.151 19.000 -0.037 0.000 0.814 79 A HN 0.464 nan 8.150 nan 0.000 0.446 80 L N -0.925 120.291 121.223 -0.012 0.000 2.012 80 L HA -0.262 4.078 4.340 0.001 0.000 0.210 80 L C 2.636 179.530 176.870 0.040 0.000 1.073 80 L CA 2.090 56.931 54.840 0.001 0.000 0.748 80 L CB -0.587 41.474 42.059 0.003 0.000 0.891 80 L HN 0.387 nan 8.230 nan 0.000 0.431 81 K N -0.069 120.355 120.400 0.039 0.000 2.026 81 K HA -0.174 4.146 4.320 0.001 0.000 0.208 81 K C 1.760 178.413 176.600 0.088 0.000 1.048 81 K CA 1.662 57.981 56.287 0.054 0.000 0.929 81 K CB -0.192 32.328 32.500 0.033 0.000 0.713 81 K HN 0.221 nan 8.250 nan 0.000 0.439 82 D N 0.313 120.774 120.400 0.101 0.000 2.182 82 D HA -0.155 4.485 4.640 0.001 0.000 0.201 82 D C 1.968 178.454 176.300 0.310 0.000 0.986 82 D CA 1.620 55.734 54.000 0.191 0.000 0.847 82 D CB -0.363 40.568 40.800 0.218 0.000 0.942 82 D HN 0.226 nan 8.370 nan 0.000 0.467 83 S N 0.340 116.192 115.700 0.253 0.000 2.419 83 S HA -0.220 4.250 4.470 0.001 0.000 0.235 83 S C 1.941 176.795 174.600 0.423 0.000 1.019 83 S CA 1.018 59.442 58.200 0.373 0.000 0.982 83 S CB -0.244 63.062 63.200 0.177 0.000 0.789 83 S HN 0.184 nan 8.310 nan 0.000 0.490 84 R N 1.763 122.418 120.500 0.259 0.000 2.083 84 R HA -0.032 4.308 4.340 0.001 0.000 0.237 84 R C 1.832 178.218 176.300 0.143 0.000 1.137 84 R CA 1.772 57.984 56.100 0.187 0.000 0.951 84 R CB -0.396 29.975 30.300 0.118 0.000 0.851 84 R HN 0.376 nan 8.270 nan 0.000 0.434 85 N N -0.627 118.139 118.700 0.110 0.000 2.457 85 N HA -0.102 4.639 4.740 0.001 0.000 0.180 85 N C 0.452 175.910 175.510 -0.086 0.000 1.050 85 N CA 0.868 53.905 53.050 -0.022 0.000 0.906 85 N CB 0.077 38.499 38.487 -0.107 0.000 0.968 85 N HN 0.359 nan 8.380 nan 0.000 0.445 86 Y N -0.643 119.707 120.300 0.085 0.000 2.471 86 Y HA 0.247 4.797 4.550 0.001 0.000 0.286 86 Y C 1.614 177.465 175.900 -0.082 0.000 1.188 86 Y CA 0.235 58.365 58.100 0.051 0.000 1.286 86 Y CB 0.316 38.869 38.460 0.154 0.000 1.072 86 Y HN 0.083 nan 8.280 nan 0.000 0.517 87 G N -1.582 107.238 108.800 0.035 0.000 2.163 87 G HA2 -0.248 3.713 3.960 0.001 0.000 0.213 87 G HA3 -0.248 3.713 3.960 0.001 0.000 0.213 87 G C -0.370 174.386 174.900 -0.241 0.000 0.991 87 G CA -0.690 44.325 45.100 -0.142 0.000 0.653 87 G HN 0.280 nan 8.290 nan 0.000 0.518 88 W N 1.754 123.102 121.300 0.080 0.000 2.356 88 W HA 0.579 5.239 4.660 0.001 0.000 0.311 88 W C 0.950 177.495 176.519 0.044 0.000 1.328 88 W CA -0.625 56.754 57.345 0.055 0.000 1.251 88 W CB 0.663 30.155 29.460 0.054 0.000 1.280 88 W HN -0.022 nan 8.180 nan 0.000 0.524 89 K N 3.948 124.482 120.400 0.223 0.000 2.449 89 K HA 0.078 4.399 4.320 0.001 0.000 0.237 89 K C -0.192 176.496 176.600 0.146 0.000 1.265 89 K CA -0.393 55.978 56.287 0.141 0.000 1.193 89 K CB -0.231 32.323 32.500 0.089 0.000 1.515 89 K HN 0.188 nan 8.250 nan 0.000 0.259 90 L N 2.113 123.428 121.223 0.153 0.000 2.375 90 L HA 0.128 4.468 4.340 0.001 0.000 0.271 90 L C 0.366 177.283 176.870 0.078 0.000 1.107 90 L CA -0.376 54.530 54.840 0.111 0.000 0.806 90 L CB 0.944 43.068 42.059 0.108 0.000 1.146 90 L HN 0.444 nan 8.230 nan 0.000 0.447 91 E N 1.448 121.684 120.200 0.061 0.000 2.314 91 E HA 0.098 4.448 4.350 0.001 0.000 0.262 91 E C 0.407 177.034 176.600 0.045 0.000 1.093 91 E CA -0.206 56.223 56.400 0.048 0.000 0.908 91 E CB 0.393 30.117 29.700 0.040 0.000 1.091 91 E HN 0.600 nan 8.360 nan 0.000 0.425 92 D N 0.550 120.973 120.400 0.039 0.000 2.172 92 D HA -0.095 4.545 4.640 0.001 0.000 0.196 92 D C -0.270 176.052 176.300 0.037 0.000 0.999 92 D CA 1.619 55.641 54.000 0.036 0.000 0.856 92 D CB 0.074 40.892 40.800 0.030 0.000 0.934 92 D HN 0.603 nan 8.370 nan 0.000 0.453 93 T N -0.548 114.027 114.554 0.036 0.000 2.971 93 T HA 0.469 4.819 4.350 0.001 0.000 0.304 93 T C -0.454 174.270 174.700 0.041 0.000 1.038 93 T CA -0.833 61.290 62.100 0.039 0.000 1.007 93 T CB 2.742 71.632 68.868 0.037 0.000 1.055 93 T HN -0.284 nan 8.240 nan 0.000 0.451 94 V N 3.257 123.199 119.914 0.046 0.000 2.370 94 V HA 0.426 4.547 4.120 0.001 0.000 0.283 94 V C 0.255 176.390 176.094 0.069 0.000 1.023 94 V CA -0.927 61.403 62.300 0.050 0.000 0.857 94 V CB 1.293 33.144 31.823 0.046 0.000 0.985 94 V HN 0.734 nan 8.190 nan 0.000 0.443 95 K N 3.022 123.463 120.400 0.069 0.000 2.154 95 K HA 0.364 4.684 4.320 0.001 0.000 0.264 95 K C -0.108 176.571 176.600 0.132 0.000 1.008 95 K CA -0.502 55.842 56.287 0.094 0.000 0.937 95 K CB 0.667 33.209 32.500 0.070 0.000 1.002 95 K HN 0.754 nan 8.250 nan 0.000 0.469 96 H N 1.057 120.167 119.070 0.066 0.000 2.502 96 H HA 0.157 4.713 4.556 0.001 0.000 0.338 96 H C -1.268 174.122 175.328 0.103 0.000 1.155 96 H CA -0.479 55.617 56.048 0.080 0.000 1.237 96 H CB 1.736 31.560 29.762 0.105 0.000 1.534 96 H HN 0.536 nan 8.280 nan 0.000 0.523 97 D N 4.492 124.510 120.400 -0.637 0.000 2.454 97 D HA -0.024 4.616 4.640 0.001 0.000 0.247 97 D C 0.898 176.997 176.300 -0.336 0.000 1.129 97 D CA -0.564 53.254 54.000 -0.303 0.000 0.877 97 D CB 0.148 40.835 40.800 -0.188 0.000 1.082 97 D HN 0.631 nan 8.370 nan 0.000 0.537 98 W N 4.506 125.728 121.300 -0.130 0.000 2.338 98 W HA -0.170 4.490 4.660 0.000 0.000 0.304 98 W C 0.937 177.459 176.519 0.005 0.000 1.212 98 W CA 1.329 58.699 57.345 0.041 0.000 1.264 98 W CB 0.305 29.836 29.460 0.119 0.000 1.142 98 W HN 0.530 nan 8.180 nan 0.000 0.512 99 E N 0.310 120.608 120.200 0.163 0.000 2.072 99 E HA -0.266 4.084 4.350 0.001 0.000 0.191 99 E C 1.957 178.519 176.600 -0.064 0.000 0.985 99 E CA 1.529 57.976 56.400 0.078 0.000 0.801 99 E CB -0.409 29.373 29.700 0.138 0.000 0.750 99 E HN 0.025 nan 8.360 nan 0.000 0.452 100 K N 1.607 121.955 120.400 -0.087 0.000 2.057 100 K HA -0.144 4.176 4.320 0.001 0.000 0.207 100 K C 2.053 178.561 176.600 -0.153 0.000 1.049 100 K CA 1.369 57.590 56.287 -0.109 0.000 0.931 100 K CB -0.289 32.144 32.500 -0.112 0.000 0.714 100 K HN 0.086 nan 8.250 nan 0.000 0.440 101 M N 0.516 119.984 119.600 -0.221 0.000 2.086 101 M HA -0.175 4.305 4.480 0.001 0.000 0.261 101 M C 1.784 177.919 176.300 -0.275 0.000 1.067 101 M CA 2.481 57.650 55.300 -0.219 0.000 1.116 101 M CB -0.474 32.020 32.600 -0.175 0.000 1.348 101 M HN 0.435 nan 8.290 nan 0.000 0.407 102 T N -2.344 111.967 114.554 -0.406 0.000 2.951 102 T HA -0.145 4.206 4.350 0.001 0.000 0.268 102 T C 1.600 176.207 174.700 -0.155 0.000 1.073 102 T CA 1.428 63.328 62.100 -0.333 0.000 1.134 102 T CB -0.511 68.110 68.868 -0.411 0.000 0.884 102 T HN 0.617 nan 8.240 nan 0.000 0.479 103 E N 1.162 121.289 120.200 -0.123 0.000 2.051 103 E HA -0.146 4.205 4.350 0.001 0.000 0.192 103 E C 2.283 178.849 176.600 -0.058 0.000 0.991 103 E CA 1.414 57.776 56.400 -0.063 0.000 0.799 103 E CB -0.265 29.407 29.700 -0.047 0.000 0.748 103 E HN 0.566 nan 8.360 nan 0.000 0.449 104 S N -0.019 115.635 115.700 -0.077 0.000 2.382 104 S HA -0.122 4.348 4.470 0.001 0.000 0.228 104 S C 2.029 176.600 174.600 -0.047 0.000 1.027 104 S CA 1.057 59.221 58.200 -0.061 0.000 0.991 104 S CB -0.087 63.065 63.200 -0.079 0.000 0.823 104 S HN 0.149 nan 8.310 nan 0.000 0.469 105 V N 1.966 121.833 119.914 -0.079 0.000 2.270 105 V HA -0.151 3.970 4.120 0.001 0.000 0.245 105 V C 2.626 178.709 176.094 -0.017 0.000 1.043 105 V CA 1.448 63.709 62.300 -0.066 0.000 1.014 105 V CB -0.610 31.139 31.823 -0.122 0.000 0.645 105 V HN 0.390 nan 8.190 nan 0.000 0.447 106 Q N -0.095 119.691 119.800 -0.024 0.000 2.124 106 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 106 Q C 2.171 178.178 176.000 0.010 0.000 0.977 106 Q CA 1.247 57.052 55.803 0.002 0.000 0.850 106 Q CB -0.769 27.976 28.738 0.012 0.000 0.901 106 Q HN 0.653 nan 8.270 nan 0.000 0.429 107 N N -0.020 118.686 118.700 0.009 0.000 2.104 107 N HA -0.203 4.537 4.740 0.001 0.000 0.190 107 N C 1.753 177.283 175.510 0.035 0.000 1.024 107 N CA 1.368 54.427 53.050 0.015 0.000 0.853 107 N CB -0.095 38.398 38.487 0.010 0.000 1.008 107 N HN 0.365 nan 8.380 nan 0.000 0.424 108 H N 0.940 119.984 119.070 -0.044 0.000 2.333 108 H HA 0.134 4.690 4.556 0.001 0.000 0.302 108 H C 2.210 177.522 175.328 -0.027 0.000 1.075 108 H CA 1.100 57.121 56.048 -0.044 0.000 1.348 108 H CB -0.249 29.473 29.762 -0.067 0.000 1.393 108 H HN 0.111 nan 8.280 nan 0.000 0.509 109 I N 0.089 120.617 120.570 -0.069 0.000 2.194 109 I HA -0.263 3.907 4.170 0.001 0.000 0.246 109 I C 2.680 178.763 176.117 -0.057 0.000 1.093 109 I CA 1.464 62.712 61.300 -0.088 0.000 1.355 109 I CB -0.621 37.359 38.000 -0.033 0.000 1.046 109 I HN 0.502 nan 8.210 nan 0.000 0.413 110 G N 0.051 108.840 108.800 -0.018 0.000 2.442 110 G HA2 -0.313 3.648 3.960 0.001 0.000 0.219 110 G HA3 -0.313 3.648 3.960 0.001 0.000 0.219 110 G C 1.782 176.699 174.900 0.028 0.000 1.141 110 G CA 1.143 46.258 45.100 0.025 0.000 0.763 110 G HN 0.513 nan 8.290 nan 0.000 0.554 111 S N 0.129 115.799 115.700 -0.050 0.000 2.428 111 S HA 0.094 4.564 4.470 0.001 0.000 0.230 111 S C 2.352 176.907 174.600 -0.075 0.000 1.014 111 S CA 0.756 58.933 58.200 -0.039 0.000 0.957 111 S CB -0.249 62.903 63.200 -0.079 0.000 0.784 111 S HN 0.303 nan 8.310 nan 0.000 0.499 112 L N 1.500 122.616 121.223 -0.179 0.000 2.056 112 L HA -0.055 4.285 4.340 0.001 0.000 0.207 112 L C 2.570 179.474 176.870 0.057 0.000 1.078 112 L CA 1.488 56.236 54.840 -0.154 0.000 0.749 112 L CB -1.024 40.948 42.059 -0.145 0.000 0.901 112 L HN 0.411 nan 8.230 nan 0.000 0.433 113 N N -0.559 118.219 118.700 0.130 0.000 2.021 113 N HA -0.301 4.439 4.740 0.001 0.000 0.198 113 N C 1.770 177.395 175.510 0.193 0.000 1.041 113 N CA 1.858 55.024 53.050 0.194 0.000 0.862 113 N CB -0.266 38.337 38.487 0.193 0.000 1.048 113 N HN 0.412 nan 8.380 nan 0.000 0.427 114 W N 1.864 123.157 121.300 -0.012 0.000 2.354 114 W HA -0.137 4.523 4.660 0.000 0.000 0.315 114 W C 2.335 178.817 176.519 -0.061 0.000 1.206 114 W CA 1.543 58.872 57.345 -0.027 0.000 1.290 114 W CB -0.637 28.803 29.460 -0.032 0.000 1.152 114 W HN 0.140 nan 8.180 nan 0.000 0.489 115 G N -0.222 108.542 108.800 -0.060 0.000 2.547 115 G HA2 -0.381 3.580 3.960 0.001 0.000 0.221 115 G HA3 -0.381 3.580 3.960 0.001 0.000 0.221 115 G C 1.123 175.817 174.900 -0.344 0.000 1.140 115 G CA 1.500 46.454 45.100 -0.244 0.000 0.760 115 G HN 0.327 nan 8.290 nan 0.000 0.583 116 Y N -0.006 120.175 120.300 -0.199 0.000 2.263 116 Y HA 0.067 4.617 4.550 0.000 0.000 0.292 116 Y C 2.928 178.626 175.900 -0.337 0.000 1.130 116 Y CA 1.216 59.178 58.100 -0.229 0.000 1.179 116 Y CB -0.345 37.992 38.460 -0.204 0.000 0.998 116 Y HN 0.108 nan 8.280 nan 0.000 0.532 117 R N -0.175 120.150 120.500 -0.292 0.000 2.081 117 R HA -0.131 4.209 4.340 0.001 0.000 0.235 117 R C 2.072 178.078 176.300 -0.489 0.000 1.131 117 R CA 1.464 57.272 56.100 -0.487 0.000 0.960 117 R CB -0.528 29.385 30.300 -0.644 0.000 0.856 117 R HN 0.160 nan 8.270 nan 0.000 0.436 118 V N 0.681 120.246 119.914 -0.582 0.000 2.270 118 V HA -0.226 3.894 4.120 0.001 0.000 0.245 118 V C 2.388 178.343 176.094 -0.232 0.000 1.043 118 V CA 1.903 63.956 62.300 -0.411 0.000 1.014 118 V CB -0.793 30.806 31.823 -0.375 0.000 0.645 118 V HN 0.563 nan 8.190 nan 0.000 0.447 119 A N -0.010 122.689 122.820 -0.201 0.000 1.884 119 A HA -0.258 4.062 4.320 0.001 0.000 0.219 119 A C 2.213 179.739 177.584 -0.097 0.000 1.197 119 A CA 2.355 54.315 52.037 -0.128 0.000 0.637 119 A CB -0.755 18.184 19.000 -0.102 0.000 0.827 119 A HN 0.512 nan 8.150 nan 0.000 0.450 120 L N -1.412 119.751 121.223 -0.101 0.000 2.042 120 L HA -0.220 4.120 4.340 0.001 0.000 0.210 120 L C 2.851 179.680 176.870 -0.068 0.000 1.076 120 L CA 1.890 56.684 54.840 -0.076 0.000 0.749 120 L CB -0.562 41.443 42.059 -0.089 0.000 0.893 120 L HN 0.480 nan 8.230 nan 0.000 0.432 121 R N 0.102 120.546 120.500 -0.093 0.000 2.083 121 R HA -0.174 4.166 4.340 0.001 0.000 0.237 121 R C 2.244 178.508 176.300 -0.060 0.000 1.137 121 R CA 1.429 57.487 56.100 -0.070 0.000 0.951 121 R CB -0.002 30.243 30.300 -0.092 0.000 0.851 121 R HN 0.296 nan 8.270 nan 0.000 0.434 122 E N 0.606 120.763 120.200 -0.072 0.000 2.110 122 E HA -0.143 4.207 4.350 0.001 0.000 0.193 122 E C 1.567 178.135 176.600 -0.054 0.000 0.988 122 E CA 0.991 57.355 56.400 -0.060 0.000 0.804 122 E CB 0.006 29.666 29.700 -0.065 0.000 0.745 122 E HN 0.196 nan 8.360 nan 0.000 0.458 123 K N 0.765 121.130 120.400 -0.057 0.000 2.487 123 K HA 0.024 4.344 4.320 0.001 0.000 0.192 123 K C 0.121 176.692 176.600 -0.049 0.000 1.027 123 K CA 0.006 56.260 56.287 -0.054 0.000 1.054 123 K CB 0.098 32.567 32.500 -0.052 0.000 0.824 123 K HN 0.103 nan 8.250 nan 0.000 0.510 124 K N 0.090 120.464 120.400 -0.043 0.000 3.117 124 K HA -0.132 4.188 4.320 0.001 0.000 0.269 124 K C -0.670 175.910 176.600 -0.033 0.000 1.098 124 K CA 0.212 56.477 56.287 -0.035 0.000 0.785 124 K CB -1.738 30.740 32.500 -0.037 0.000 1.242 124 K HN -0.090 nan 8.250 nan 0.000 0.491 125 V N 1.294 121.191 119.914 -0.028 0.000 2.394 125 V HA 0.199 4.319 4.120 0.001 0.000 0.282 125 V C 0.733 176.826 176.094 -0.001 0.000 1.031 125 V CA -0.895 61.392 62.300 -0.021 0.000 0.881 125 V CB 1.792 33.605 31.823 -0.017 0.000 0.982 125 V HN 0.052 nan 8.190 nan 0.000 0.451 126 V N 5.894 125.800 119.914 -0.013 0.000 2.479 126 V HA 0.084 4.204 4.120 0.001 0.000 0.281 126 V C -0.390 175.728 176.094 0.040 0.000 1.031 126 V CA -0.031 62.264 62.300 -0.009 0.000 1.038 126 V CB 0.306 32.093 31.823 -0.061 0.000 0.981 126 V HN 0.742 nan 8.190 nan 0.000 0.478 127 Y N 5.016 125.278 120.300 -0.064 0.000 2.331 127 Y HA 0.667 5.218 4.550 0.001 0.000 0.338 127 Y C -0.255 175.624 175.900 -0.035 0.000 0.992 127 Y CA -1.420 56.648 58.100 -0.054 0.000 1.121 127 Y CB 1.597 40.027 38.460 -0.051 0.000 1.184 127 Y HN 0.660 nan 8.280 nan 0.000 0.469 128 E N 4.812 124.694 120.200 -0.529 0.000 2.220 128 E HA 0.200 4.550 4.350 0.001 0.000 0.256 128 E C -1.056 175.195 176.600 -0.581 0.000 0.881 128 E CA -0.329 55.776 56.400 -0.493 0.000 0.766 128 E CB 0.513 30.076 29.700 -0.228 0.000 1.187 128 E HN 0.734 nan 8.360 nan 0.000 0.419 129 N N 3.323 121.634 118.700 -0.648 0.000 2.671 129 N HA 0.325 5.065 4.740 0.001 0.000 0.274 129 N C -1.244 174.334 175.510 0.114 0.000 1.188 129 N CA 0.154 53.056 53.050 -0.246 0.000 1.065 129 N CB 0.013 38.412 38.487 -0.146 0.000 1.415 129 N HN 0.395 nan 8.380 nan 0.000 0.511 130 A N 2.873 125.812 122.820 0.197 0.000 2.604 130 A HA 0.218 4.539 4.320 0.001 0.000 0.295 130 A C -1.844 175.827 177.584 0.146 0.000 1.067 130 A CA -0.649 51.517 52.037 0.215 0.000 0.683 130 A CB 0.731 19.779 19.000 0.081 0.000 1.281 130 A HN 0.585 nan 8.150 nan 0.000 0.407 131 Y N 1.464 121.627 120.300 -0.228 0.000 2.393 131 Y HA 0.457 5.007 4.550 0.000 0.000 0.338 131 Y C 0.929 176.749 175.900 -0.132 0.000 1.029 131 Y CA 0.832 58.787 58.100 -0.242 0.000 1.239 131 Y CB 0.829 38.962 38.460 -0.545 0.000 1.170 131 Y HN 0.844 nan 8.280 nan 0.000 0.515 132 G N 5.829 114.350 108.800 -0.464 0.000 2.395 132 G HA2 0.404 4.364 3.960 0.001 0.000 0.283 132 G HA3 0.404 4.364 3.960 0.001 0.000 0.283 132 G C -1.413 173.265 174.900 -0.371 0.000 1.178 132 G CA -0.711 44.191 45.100 -0.331 0.000 0.837 132 G HN 0.631 nan 8.290 nan 0.000 0.518 133 K N 2.066 122.334 120.400 -0.220 0.000 2.581 133 K HA 0.298 4.618 4.320 0.001 0.000 0.249 133 K C -1.115 175.401 176.600 -0.141 0.000 0.966 133 K CA -0.762 55.444 56.287 -0.136 0.000 0.811 133 K CB 1.198 33.726 32.500 0.047 0.000 1.223 133 K HN 0.286 nan 8.250 nan 0.000 0.438 134 F N 4.643 124.550 119.950 -0.072 0.000 2.572 134 F HA 0.053 4.581 4.527 0.000 0.000 0.370 134 F C 1.623 177.392 175.800 -0.052 0.000 1.103 134 F CA 0.203 58.136 58.000 -0.112 0.000 1.286 134 F CB 0.432 39.326 39.000 -0.178 0.000 1.105 134 F HN 0.493 nan 8.300 nan 0.000 0.583 135 I N -0.519 120.157 120.570 0.177 0.000 4.323 135 I HA 0.636 4.806 4.170 0.001 0.000 0.328 135 I C 0.724 176.893 176.117 0.087 0.000 1.310 135 I CA 0.156 61.519 61.300 0.106 0.000 1.186 135 I CB 0.312 38.358 38.000 0.077 0.000 1.130 135 I HN 0.550 nan 8.210 nan 0.000 0.411 136 G N 1.510 110.370 108.800 0.100 0.000 2.322 136 G HA2 0.301 4.261 3.960 0.001 0.000 0.295 136 G HA3 0.301 4.261 3.960 0.001 0.000 0.295 136 G C -3.250 171.695 174.900 0.074 0.000 1.369 136 G CA -0.784 44.354 45.100 0.063 0.000 0.821 136 G HN -0.180 nan 8.290 nan 0.000 0.536 137 P HA 0.062 nan 4.420 nan 0.000 0.260 137 P C 0.086 177.517 177.300 0.219 0.000 1.185 137 P CA 1.022 64.205 63.100 0.138 0.000 0.763 137 P CB -0.125 31.670 31.700 0.159 0.000 0.776 138 H N -0.605 118.572 119.070 0.178 0.000 3.415 138 H HA -0.140 4.416 4.556 0.001 0.000 0.213 138 H C -0.065 175.516 175.328 0.423 0.000 1.091 138 H CA 1.157 57.373 56.048 0.281 0.000 1.182 138 H CB -1.162 28.598 29.762 -0.003 0.000 1.160 138 H HN 0.555 nan 8.280 nan 0.000 0.319 139 K N 0.476 121.093 120.400 0.362 0.000 2.324 139 K HA 0.695 5.016 4.320 0.001 0.000 0.253 139 K C -0.381 176.385 176.600 0.276 0.000 0.932 139 K CA -0.535 55.949 56.287 0.328 0.000 0.799 139 K CB 2.870 35.494 32.500 0.207 0.000 1.154 139 K HN 0.045 nan 8.250 nan 0.000 0.425 140 I N 2.498 123.236 120.570 0.279 0.000 2.730 140 I HA 0.410 4.580 4.170 0.001 0.000 0.298 140 I C -1.344 174.855 176.117 0.136 0.000 1.089 140 I CA -1.095 60.279 61.300 0.125 0.000 1.041 140 I CB 2.129 40.165 38.000 0.061 0.000 1.235 140 I HN 0.651 nan 8.210 nan 0.000 0.423 141 M N 6.631 126.265 119.600 0.057 0.000 2.268 141 M HA 0.650 5.130 4.480 0.001 0.000 0.344 141 M C -1.201 175.140 176.300 0.068 0.000 1.106 141 M CA -0.490 54.847 55.300 0.063 0.000 1.010 141 M CB 1.493 34.114 32.600 0.034 0.000 1.649 141 M HN 0.670 nan 8.290 nan 0.000 0.443 142 A N 3.904 126.797 122.820 0.123 0.000 2.273 142 A HA 0.556 4.876 4.320 0.001 0.000 0.320 142 A C -0.496 177.123 177.584 0.060 0.000 1.358 142 A CA -0.508 51.598 52.037 0.115 0.000 0.910 142 A CB 0.126 19.276 19.000 0.250 0.000 1.159 142 A HN 0.784 nan 8.150 nan 0.000 0.526 143 T N 3.896 118.460 114.554 0.015 0.000 2.728 143 T HA 0.291 4.642 4.350 0.001 0.000 0.296 143 T C 0.685 175.331 174.700 -0.090 0.000 0.940 143 T CA -0.572 61.503 62.100 -0.042 0.000 1.013 143 T CB 0.196 69.013 68.868 -0.084 0.000 0.912 143 T HN 0.872 nan 8.240 nan 0.000 0.484 144 N N 3.061 121.748 118.700 -0.021 0.000 2.366 144 N HA 0.080 4.820 4.740 0.001 0.000 0.277 144 N C 1.159 176.718 175.510 0.081 0.000 1.275 144 N CA -0.727 52.354 53.050 0.051 0.000 0.964 144 N CB 0.167 38.700 38.487 0.077 0.000 1.167 144 N HN 0.506 nan 8.380 nan 0.000 0.568 145 N N -0.164 118.698 118.700 0.268 0.000 2.094 145 N HA -0.185 4.555 4.740 0.001 0.000 0.191 145 N C 0.557 176.152 175.510 0.142 0.000 1.023 145 N CA 1.275 54.521 53.050 0.328 0.000 0.857 145 N CB -0.013 38.623 38.487 0.248 0.000 1.013 145 N HN 0.531 nan 8.380 nan 0.000 0.426 146 K N -0.689 119.761 120.400 0.082 0.000 2.458 146 K HA 0.106 4.426 4.320 0.001 0.000 0.194 146 K C 0.791 177.400 176.600 0.015 0.000 1.024 146 K CA 0.428 56.742 56.287 0.044 0.000 1.108 146 K CB 0.345 32.868 32.500 0.037 0.000 0.846 146 K HN 0.419 nan 8.250 nan 0.000 0.518 147 G N 1.282 110.081 108.800 -0.002 0.000 2.176 147 G HA2 -0.213 3.748 3.960 0.001 0.000 0.232 147 G HA3 -0.213 3.748 3.960 0.001 0.000 0.232 147 G C -0.306 174.580 174.900 -0.023 0.000 0.986 147 G CA -0.390 44.693 45.100 -0.028 0.000 0.643 147 G HN 0.088 nan 8.290 nan 0.000 0.522 148 K N 1.634 122.030 120.400 -0.007 0.000 2.368 148 K HA 0.398 4.719 4.320 0.001 0.000 0.282 148 K C 0.356 176.951 176.600 -0.008 0.000 1.035 148 K CA 0.121 56.404 56.287 -0.005 0.000 0.973 148 K CB 1.135 33.638 32.500 0.005 0.000 0.957 148 K HN 0.615 nan 8.250 nan 0.000 0.474 149 E N 1.854 122.045 120.200 -0.016 0.000 2.222 149 E HA 0.406 4.756 4.350 0.001 0.000 0.272 149 E C -0.611 175.965 176.600 -0.040 0.000 0.982 149 E CA -0.783 55.605 56.400 -0.019 0.000 0.842 149 E CB 1.996 31.683 29.700 -0.022 0.000 1.144 149 E HN 0.288 nan 8.360 nan 0.000 0.397 150 K N 0.916 121.281 120.400 -0.059 0.000 2.542 150 K HA 0.404 4.725 4.320 0.001 0.000 0.259 150 K C -1.800 174.648 176.600 -0.252 0.000 0.932 150 K CA -0.599 55.576 56.287 -0.187 0.000 0.820 150 K CB 1.965 34.329 32.500 -0.227 0.000 1.345 150 K HN 0.281 nan 8.250 nan 0.000 0.432 151 V N 3.906 123.616 119.914 -0.340 0.000 2.483 151 V HA 0.527 4.648 4.120 0.001 0.000 0.295 151 V C -1.183 174.701 176.094 -0.351 0.000 1.035 151 V CA -0.528 61.649 62.300 -0.205 0.000 0.896 151 V CB 1.115 32.892 31.823 -0.075 0.000 0.986 151 V HN 0.660 nan 8.190 nan 0.000 0.447 152 Y N 1.381 121.736 120.300 0.091 0.000 2.545 152 Y HA 0.632 5.183 4.550 0.001 0.000 0.348 152 Y C 0.352 176.362 175.900 0.183 0.000 1.002 152 Y CA -0.727 57.437 58.100 0.106 0.000 1.039 152 Y CB 2.460 40.974 38.460 0.091 0.000 1.271 152 Y HN 0.666 nan 8.280 nan 0.000 0.467 153 S N 1.173 117.072 115.700 0.331 0.000 2.568 153 S HA 0.988 5.458 4.470 0.001 0.000 0.302 153 S C -0.861 173.862 174.600 0.205 0.000 1.082 153 S CA -0.577 57.813 58.200 0.317 0.000 1.009 153 S CB 2.070 65.396 63.200 0.210 0.000 1.069 153 S HN 1.019 nan 8.310 nan 0.000 0.500 154 A N 0.612 123.545 122.820 0.189 0.000 2.572 154 A HA 0.646 4.966 4.320 0.001 0.000 0.295 154 A C 0.397 178.059 177.584 0.130 0.000 1.072 154 A CA -0.583 51.413 52.037 -0.068 0.000 0.691 154 A CB 1.196 19.818 19.000 -0.629 0.000 1.291 154 A HN 0.954 nan 8.150 nan 0.000 0.404 155 E N 0.191 120.443 120.200 0.086 0.000 2.072 155 E HA -0.039 4.312 4.350 0.001 0.000 0.191 155 E C 0.327 177.123 176.600 0.326 0.000 0.985 155 E CA 0.899 57.408 56.400 0.181 0.000 0.801 155 E CB 0.137 29.902 29.700 0.108 0.000 0.750 155 E HN 0.552 nan 8.360 nan 0.000 0.452 156 R N -0.854 119.771 120.500 0.208 0.000 2.795 156 R HA 0.430 4.771 4.340 0.001 0.000 0.275 156 R C -1.397 174.968 176.300 0.108 0.000 0.981 156 R CA -0.648 55.657 56.100 0.340 0.000 0.917 156 R CB 1.465 31.955 30.300 0.316 0.000 1.202 156 R HN -0.094 nan 8.270 nan 0.000 0.469 157 F N 1.205 121.378 119.950 0.371 0.000 2.551 157 F HA 0.451 4.978 4.527 0.000 0.000 0.316 157 F C -0.644 175.326 175.800 0.282 0.000 1.089 157 F CA -0.985 57.205 58.000 0.317 0.000 0.915 157 F CB 1.818 41.084 39.000 0.442 0.000 1.186 157 F HN 0.171 nan 8.300 nan 0.000 0.456 158 L N 4.675 126.126 121.223 0.379 0.000 2.343 158 L HA 0.614 4.955 4.340 0.001 0.000 0.278 158 L C -1.009 176.003 176.870 0.237 0.000 0.996 158 L CA -0.394 54.617 54.840 0.284 0.000 0.831 158 L CB 0.854 43.021 42.059 0.179 0.000 1.232 158 L HN 0.458 nan 8.230 nan 0.000 0.413 159 I N 5.643 126.345 120.570 0.220 0.000 2.337 159 I HA 0.491 4.661 4.170 0.001 0.000 0.291 159 I C 0.503 176.688 176.117 0.113 0.000 1.046 159 I CA 0.020 61.414 61.300 0.156 0.000 1.324 159 I CB 1.182 39.274 38.000 0.153 0.000 1.409 159 I HN 0.832 nan 8.210 nan 0.000 0.494 160 A N 3.766 126.636 122.820 0.083 0.000 3.365 160 A HA 0.292 4.613 4.320 0.001 0.000 0.258 160 A C 0.731 178.350 177.584 0.060 0.000 0.964 160 A CA -0.372 51.708 52.037 0.073 0.000 0.988 160 A CB -0.239 18.801 19.000 0.067 0.000 1.193 160 A HN 0.746 nan 8.150 nan 0.000 0.508 161 T N -2.995 111.595 114.554 0.059 0.000 3.060 161 T HA 0.453 4.803 4.350 0.001 0.000 0.249 161 T C 1.338 176.091 174.700 0.088 0.000 1.079 161 T CA 1.006 63.140 62.100 0.056 0.000 1.013 161 T CB -0.149 68.737 68.868 0.029 0.000 0.975 161 T HN 2.039 nan 8.240 nan 0.000 0.518 162 G N 1.509 110.363 108.800 0.090 0.000 2.598 162 G HA2 -0.185 3.776 3.960 0.001 0.000 0.269 162 G HA3 -0.185 3.776 3.960 0.001 0.000 0.269 162 G C -0.639 174.330 174.900 0.116 0.000 1.289 162 G CA 0.103 45.266 45.100 0.105 0.000 0.926 162 G HN 0.681 nan 8.290 nan 0.000 0.567 163 E N -0.508 119.771 120.200 0.130 0.000 2.431 163 E HA 0.783 5.133 4.350 0.001 0.000 0.268 163 E C -0.314 176.381 176.600 0.158 0.000 0.953 163 E CA -1.156 55.323 56.400 0.132 0.000 0.810 163 E CB 1.630 31.399 29.700 0.117 0.000 1.369 163 E HN 0.444 nan 8.360 nan 0.000 0.440 164 R N 0.369 120.960 120.500 0.152 0.000 2.740 164 R HA 0.433 4.774 4.340 0.001 0.000 0.273 164 R C -2.786 173.596 176.300 0.137 0.000 0.998 164 R CA -2.587 53.618 56.100 0.176 0.000 0.900 164 R CB 0.923 31.343 30.300 0.201 0.000 1.223 164 R HN 0.310 nan 8.270 nan 0.000 0.466 165 P HA 0.057 nan 4.420 nan 0.000 0.264 165 P C -0.231 177.088 177.300 0.032 0.000 1.193 165 P CA 0.104 63.221 63.100 0.029 0.000 0.763 165 P CB 0.518 32.200 31.700 -0.031 0.000 0.810 166 R N 3.348 123.845 120.500 -0.006 0.000 2.490 166 R HA 0.257 4.597 4.340 0.001 0.000 0.280 166 R C -0.526 175.734 176.300 -0.068 0.000 1.077 166 R CA -0.126 55.997 56.100 0.039 0.000 1.065 166 R CB 0.211 30.533 30.300 0.036 0.000 1.003 166 R HN 0.378 nan 8.270 nan 0.000 0.470 167 Y N 2.255 122.576 120.300 0.034 0.000 2.519 167 Y HA 0.304 4.854 4.550 0.001 0.000 0.324 167 Y C 0.411 176.325 175.900 0.024 0.000 1.214 167 Y CA -0.602 57.514 58.100 0.026 0.000 1.260 167 Y CB 1.043 39.517 38.460 0.024 0.000 1.311 167 Y HN 0.383 nan 8.280 nan 0.000 0.505 168 L N 0.192 121.524 121.223 0.181 0.000 2.468 168 L HA 0.375 4.716 4.340 0.001 0.000 0.254 168 L C 1.284 178.223 176.870 0.115 0.000 1.171 168 L CA -0.294 54.613 54.840 0.113 0.000 0.809 168 L CB 0.355 42.465 42.059 0.084 0.000 1.155 168 L HN 0.888 nan 8.230 nan 0.000 0.473 169 G N 1.463 110.310 108.800 0.078 0.000 3.414 169 G HA2 0.323 4.283 3.960 0.001 0.000 0.258 169 G HA3 0.323 4.283 3.960 0.001 0.000 0.258 169 G C 0.031 174.964 174.900 0.054 0.000 1.348 169 G CA -0.036 45.100 45.100 0.061 0.000 1.319 169 G HN 0.490 nan 8.290 nan 0.000 0.555 170 I N -3.704 116.906 120.570 0.067 0.000 2.689 170 I HA 0.609 4.780 4.170 0.001 0.000 0.299 170 I C -2.847 173.306 176.117 0.061 0.000 1.059 170 I CA -3.418 57.919 61.300 0.062 0.000 1.055 170 I CB 2.524 40.565 38.000 0.068 0.000 1.243 170 I HN -0.270 nan 8.210 nan 0.000 0.425 171 P HA 0.170 nan 4.420 nan 0.000 0.262 171 P C 0.773 178.128 177.300 0.092 0.000 1.199 171 P CA 1.112 64.247 63.100 0.058 0.000 0.763 171 P CB 0.648 32.385 31.700 0.061 0.000 0.790 172 G N 3.688 112.531 108.800 0.071 0.000 2.213 172 G HA2 -0.269 3.691 3.960 0.001 0.000 0.236 172 G HA3 -0.269 3.691 3.960 0.001 0.000 0.236 172 G C 0.952 175.912 174.900 0.100 0.000 0.991 172 G CA 0.471 45.650 45.100 0.132 0.000 0.629 172 G HN 0.563 nan 8.290 nan 0.000 0.517 173 D N 0.998 121.457 120.400 0.100 0.000 2.117 173 D HA -0.049 4.591 4.640 0.001 0.000 0.197 173 D C 1.949 178.348 176.300 0.165 0.000 0.987 173 D CA 1.627 55.731 54.000 0.173 0.000 0.829 173 D CB -0.448 40.489 40.800 0.228 0.000 0.961 173 D HN 0.470 nan 8.370 nan 0.000 0.460 174 K N 0.027 120.382 120.400 -0.076 0.000 2.167 174 K HA -0.047 4.273 4.320 0.001 0.000 0.203 174 K C 2.002 178.482 176.600 -0.200 0.000 1.052 174 K CA 1.122 57.225 56.287 -0.307 0.000 0.956 174 K CB 0.128 32.355 32.500 -0.455 0.000 0.735 174 K HN 0.375 nan 8.250 nan 0.000 0.451 175 E N -0.392 119.633 120.200 -0.292 0.000 2.250 175 E HA -0.108 4.242 4.350 0.001 0.000 0.192 175 E C 1.058 177.386 176.600 -0.454 0.000 0.986 175 E CA 1.060 57.169 56.400 -0.484 0.000 0.849 175 E CB -0.072 29.164 29.700 -0.773 0.000 0.797 175 E HN 0.365 nan 8.360 nan 0.000 0.482 176 Y N 0.583 120.920 120.300 0.062 0.000 2.526 176 Y HA 0.253 4.804 4.550 0.001 0.000 0.265 176 Y C 1.364 177.314 175.900 0.083 0.000 1.092 176 Y CA -1.230 56.909 58.100 0.066 0.000 1.277 176 Y CB 0.042 38.532 38.460 0.050 0.000 1.228 176 Y HN -0.046 nan 8.280 nan 0.000 0.507 177 C N 2.293 121.733 119.300 0.233 0.000 2.422 177 C HA 0.621 5.082 4.460 0.001 0.000 0.364 177 C C 0.630 175.724 174.990 0.172 0.000 1.251 177 C CA -1.104 58.019 59.018 0.174 0.000 2.441 177 C CB -0.095 27.736 27.740 0.152 0.000 2.393 177 C HN 0.341 nan 8.230 nan 0.000 0.606 178 I N 0.322 120.947 120.570 0.093 0.000 2.910 178 I HA 0.841 5.011 4.170 0.001 0.000 0.310 178 I C 0.048 176.154 176.117 -0.018 0.000 1.043 178 I CA -0.150 61.193 61.300 0.073 0.000 1.053 178 I CB 1.899 39.924 38.000 0.042 0.000 1.242 178 I HN 0.692 nan 8.210 nan 0.000 0.452 179 S N 1.024 116.710 115.700 -0.024 0.000 2.751 179 S HA 0.393 4.863 4.470 0.001 0.000 0.310 179 S C 0.981 175.536 174.600 -0.075 0.000 1.128 179 S CA -0.001 58.142 58.200 -0.096 0.000 0.931 179 S CB 1.135 64.255 63.200 -0.133 0.000 1.177 179 S HN 0.938 nan 8.310 nan 0.000 0.530 180 S N 0.499 116.152 115.700 -0.079 0.000 2.387 180 S HA -0.231 4.239 4.470 0.001 0.000 0.230 180 S C 1.124 175.723 174.600 -0.001 0.000 1.035 180 S CA 1.894 60.045 58.200 -0.082 0.000 1.014 180 S CB -1.248 62.001 63.200 0.080 0.000 0.836 180 S HN 0.728 nan 8.310 nan 0.000 0.466 181 D N 2.087 122.529 120.400 0.070 0.000 2.172 181 D HA -0.105 4.535 4.640 0.001 0.000 0.196 181 D C 1.627 178.012 176.300 0.143 0.000 0.999 181 D CA 1.622 55.689 54.000 0.113 0.000 0.856 181 D CB -0.396 40.605 40.800 0.335 0.000 0.934 181 D HN 0.605 nan 8.370 nan 0.000 0.453 182 D N -0.601 119.866 120.400 0.112 0.000 2.301 182 D HA -0.040 4.600 4.640 0.001 0.000 0.206 182 D C 2.173 178.487 176.300 0.023 0.000 0.979 182 D CA -0.059 54.006 54.000 0.108 0.000 0.874 182 D CB 0.078 40.940 40.800 0.103 0.000 0.968 182 D HN 0.123 nan 8.370 nan 0.000 0.510 183 L N 0.612 121.766 121.223 -0.116 0.000 2.042 183 L HA -0.149 4.191 4.340 0.001 0.000 0.210 183 L C 1.655 178.470 176.870 -0.092 0.000 1.076 183 L CA 1.611 56.330 54.840 -0.202 0.000 0.749 183 L CB -0.630 41.143 42.059 -0.476 0.000 0.893 183 L HN -0.149 nan 8.230 nan 0.000 0.432 184 F N -0.873 119.150 119.950 0.122 0.000 2.802 184 F HA 0.067 4.594 4.527 0.000 0.000 0.300 184 F C 1.978 177.793 175.800 0.025 0.000 1.168 184 F CA 0.658 58.689 58.000 0.051 0.000 1.433 184 F CB -0.702 38.271 39.000 -0.044 0.000 1.115 184 F HN 0.331 nan 8.300 nan 0.000 0.582 185 S N -0.977 114.839 115.700 0.192 0.000 2.855 185 S HA 0.260 4.730 4.470 0.001 0.000 0.249 185 S C -0.046 174.638 174.600 0.139 0.000 1.033 185 S CA -0.501 57.787 58.200 0.148 0.000 1.038 185 S CB -0.602 62.689 63.200 0.152 0.000 0.960 185 S HN 0.060 nan 8.310 nan 0.000 0.548 186 L N 3.330 124.662 121.223 0.182 0.000 2.584 186 L HA 0.325 4.665 4.340 0.001 0.000 0.272 186 L C -1.951 174.964 176.870 0.074 0.000 1.195 186 L CA -1.160 53.697 54.840 0.029 0.000 0.920 186 L CB 0.530 42.558 42.059 -0.051 0.000 1.173 186 L HN 0.001 nan 8.230 nan 0.000 0.489 187 P HA -0.004 nan 4.420 nan 0.000 0.237 187 P C -1.531 175.855 177.300 0.144 0.000 1.178 187 P CA 0.846 63.985 63.100 0.066 0.000 0.766 187 P CB -0.082 31.689 31.700 0.119 0.000 0.876 188 Y N -4.149 116.253 120.300 0.171 0.000 2.644 188 Y HA 0.545 5.095 4.550 0.001 0.000 0.338 188 Y C -0.493 175.233 175.900 -0.290 0.000 1.119 188 Y CA -2.510 55.620 58.100 0.050 0.000 1.060 188 Y CB -0.006 38.452 38.460 -0.003 0.000 1.294 188 Y HN -0.340 nan 8.280 nan 0.000 0.472 189 C N 3.676 122.908 119.300 -0.113 0.000 2.632 189 C HA 0.300 4.760 4.460 0.001 0.000 0.415 189 C C -1.133 173.647 174.990 -0.351 0.000 1.332 189 C CA -1.307 57.368 59.018 -0.571 0.000 1.874 189 C CB 0.057 27.732 27.740 -0.108 0.000 2.596 189 C HN 0.786 nan 8.230 nan 0.000 0.590 190 P HA 0.123 nan 4.420 nan 0.000 0.221 190 P C 1.014 178.243 177.300 -0.119 0.000 1.145 190 P CA 2.077 64.999 63.100 -0.298 0.000 0.795 190 P CB -0.156 31.290 31.700 -0.423 0.000 0.775 191 G N -0.365 108.363 108.800 -0.120 0.000 2.569 191 G HA2 -0.314 3.646 3.960 0.001 0.000 0.259 191 G HA3 -0.314 3.646 3.960 0.001 0.000 0.259 191 G C -0.361 174.524 174.900 -0.024 0.000 1.263 191 G CA -0.305 44.767 45.100 -0.048 0.000 0.928 191 G HN 0.449 nan 8.290 nan 0.000 0.572 192 K N 0.821 121.227 120.400 0.009 0.000 2.436 192 K HA 0.392 4.712 4.320 0.001 0.000 0.282 192 K C -0.342 176.339 176.600 0.135 0.000 1.044 192 K CA 0.954 57.278 56.287 0.061 0.000 1.028 192 K CB -0.230 32.296 32.500 0.043 0.000 0.919 192 K HN 0.537 nan 8.250 nan 0.000 0.474 193 T N 4.813 119.427 114.554 0.101 0.000 2.841 193 T HA 0.312 4.662 4.350 0.001 0.000 0.283 193 T C -1.149 173.453 174.700 -0.163 0.000 1.000 193 T CA -0.745 61.343 62.100 -0.019 0.000 0.977 193 T CB 1.195 69.998 68.868 -0.108 0.000 0.979 193 T HN 0.467 nan 8.240 nan 0.000 0.446 194 L N 4.189 125.096 121.223 -0.527 0.000 2.296 194 L HA 0.710 5.050 4.340 0.001 0.000 0.286 194 L C -1.008 175.605 176.870 -0.428 0.000 1.023 194 L CA -0.439 53.941 54.840 -0.767 0.000 0.812 194 L CB 1.102 42.243 42.059 -1.530 0.000 1.223 194 L HN 0.440 nan 8.230 nan 0.000 0.421 195 V N 6.052 125.766 119.914 -0.333 0.000 2.398 195 V HA 0.449 4.570 4.120 0.001 0.000 0.286 195 V C -0.322 175.645 176.094 -0.211 0.000 1.026 195 V CA -0.669 61.483 62.300 -0.248 0.000 0.868 195 V CB 1.705 33.391 31.823 -0.227 0.000 0.982 195 V HN 0.527 nan 8.190 nan 0.000 0.443 196 V N 4.678 124.491 119.914 -0.168 0.000 2.347 196 V HA 0.953 5.074 4.120 0.001 0.000 0.280 196 V C 0.572 176.617 176.094 -0.081 0.000 1.021 196 V CA 0.523 62.755 62.300 -0.114 0.000 0.847 196 V CB 0.738 32.503 31.823 -0.096 0.000 0.990 196 V HN 1.262 nan 8.190 nan 0.000 0.444 197 G N 3.924 112.696 108.800 -0.046 0.000 2.357 197 G HA2 0.495 4.455 3.960 0.001 0.000 0.643 197 G HA3 0.495 4.455 3.960 0.001 0.000 0.643 197 G C -0.408 174.496 174.900 0.006 0.000 1.358 197 G CA 0.007 45.095 45.100 -0.019 0.000 0.986 197 G HN 1.438 nan 8.290 nan 0.000 0.620 198 A N -0.243 122.601 122.820 0.040 0.000 2.543 198 A HA 0.817 5.137 4.320 0.001 0.000 0.279 198 A C 0.615 178.255 177.584 0.093 0.000 0.917 198 A CA 1.370 53.456 52.037 0.082 0.000 1.036 198 A CB 0.237 19.308 19.000 0.118 0.000 1.227 198 A HN 1.698 nan 8.150 nan 0.000 0.503 199 S N -1.499 114.241 115.700 0.067 0.000 2.623 199 S HA 0.475 4.945 4.470 0.001 0.000 0.287 199 S C 1.427 176.081 174.600 0.090 0.000 1.123 199 S CA 0.182 58.449 58.200 0.112 0.000 1.016 199 S CB 0.197 63.479 63.200 0.136 0.000 1.233 199 S HN 0.803 nan 8.310 nan 0.000 0.512 200 Y N 0.236 120.588 120.300 0.087 0.000 2.207 200 Y HA -0.045 4.505 4.550 0.000 0.000 0.287 200 Y C 1.771 177.734 175.900 0.105 0.000 1.156 200 Y CA 1.659 59.798 58.100 0.065 0.000 1.182 200 Y CB -1.349 37.160 38.460 0.083 0.000 0.979 200 Y HN 0.182 nan 8.280 nan 0.000 0.521 201 V N 1.348 121.050 119.914 -0.354 0.000 2.307 201 V HA -0.281 3.840 4.120 0.001 0.000 0.245 201 V C 2.909 178.976 176.094 -0.044 0.000 1.045 201 V CA 1.960 64.159 62.300 -0.167 0.000 1.024 201 V CB -1.498 30.184 31.823 -0.235 0.000 0.651 201 V HN 0.644 nan 8.190 nan 0.000 0.449 202 A N -0.237 122.545 122.820 -0.064 0.000 1.877 202 A HA -0.130 4.190 4.320 0.001 0.000 0.216 202 A C 2.219 179.781 177.584 -0.036 0.000 1.186 202 A CA 1.778 53.778 52.037 -0.063 0.000 0.620 202 A CB -0.531 18.436 19.000 -0.055 0.000 0.822 202 A HN 0.487 nan 8.150 nan 0.000 0.443 203 L N -0.838 120.403 121.223 0.029 0.000 2.027 203 L HA -0.180 4.161 4.340 0.001 0.000 0.206 203 L C 2.616 179.538 176.870 0.086 0.000 1.074 203 L CA 1.572 56.455 54.840 0.071 0.000 0.745 203 L CB -0.807 41.323 42.059 0.118 0.000 0.898 203 L HN 0.480 nan 8.230 nan 0.000 0.433 204 E N -0.341 119.941 120.200 0.136 0.000 2.070 204 E HA -0.253 4.097 4.350 0.001 0.000 0.197 204 E C 2.323 179.013 176.600 0.150 0.000 1.004 204 E CA 1.792 58.326 56.400 0.224 0.000 0.805 204 E CB -0.231 29.666 29.700 0.327 0.000 0.744 204 E HN 0.538 nan 8.360 nan 0.000 0.451 205 C N 0.598 119.879 119.300 -0.031 0.000 2.453 205 C HA -0.054 4.407 4.460 0.001 0.000 0.277 205 C C 2.959 177.577 174.990 -0.621 0.000 1.262 205 C CA 0.699 59.406 59.018 -0.519 0.000 1.718 205 C CB -1.002 26.554 27.740 -0.307 0.000 2.031 205 C HN 0.540 nan 8.230 nan 0.000 0.480 206 A N 0.996 123.638 122.820 -0.297 0.000 1.917 206 A HA -0.045 4.275 4.320 0.001 0.000 0.219 206 A C 2.341 179.826 177.584 -0.165 0.000 1.182 206 A CA 2.363 54.258 52.037 -0.235 0.000 0.633 206 A CB -1.379 17.509 19.000 -0.186 0.000 0.819 206 A HN 0.578 nan 8.150 nan 0.000 0.448 207 G N 0.051 108.815 108.800 -0.059 0.000 2.545 207 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 207 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 207 G C 1.406 176.383 174.900 0.129 0.000 1.218 207 G CA 1.531 46.689 45.100 0.096 0.000 0.787 207 G HN 0.890 nan 8.290 nan 0.000 0.571 208 F N 0.792 120.846 119.950 0.173 0.000 2.259 208 F HA 0.252 4.780 4.527 0.001 0.000 0.298 208 F C 2.225 178.094 175.800 0.114 0.000 1.088 208 F CA 0.468 58.563 58.000 0.158 0.000 1.358 208 F CB -0.615 38.504 39.000 0.199 0.000 1.040 208 F HN 0.070 nan 8.300 nan 0.000 0.505 209 L N 0.924 122.008 121.223 -0.231 0.000 2.083 209 L HA -0.139 4.202 4.340 0.001 0.000 0.209 209 L C 2.968 179.848 176.870 0.018 0.000 1.083 209 L CA 1.232 56.042 54.840 -0.050 0.000 0.752 209 L CB -1.226 40.714 42.059 -0.198 0.000 0.899 209 L HN 0.364 nan 8.230 nan 0.000 0.433 210 A N 0.421 123.239 122.820 -0.005 0.000 1.898 210 A HA -0.091 4.229 4.320 0.001 0.000 0.216 210 A C 2.434 180.053 177.584 0.059 0.000 1.181 210 A CA 1.579 53.633 52.037 0.028 0.000 0.620 210 A CB -1.237 17.781 19.000 0.030 0.000 0.819 210 A HN 0.427 nan 8.150 nan 0.000 0.442 211 G N 0.900 109.754 108.800 0.090 0.000 2.442 211 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 211 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 211 G C 1.412 176.330 174.900 0.029 0.000 1.141 211 G CA 1.230 46.377 45.100 0.078 0.000 0.763 211 G HN 0.909 nan 8.290 nan 0.000 0.554 212 I N -2.745 117.840 120.570 0.024 0.000 3.564 212 I HA 0.449 4.619 4.170 0.001 0.000 0.294 212 I C 1.434 177.559 176.117 0.014 0.000 1.289 212 I CA 0.648 61.888 61.300 -0.100 0.000 1.325 212 I CB 0.085 37.915 38.000 -0.284 0.000 1.039 212 I HN 0.225 nan 8.210 nan 0.000 0.474 213 G N 1.407 110.237 108.800 0.049 0.000 2.159 213 G HA2 -0.118 3.843 3.960 0.001 0.000 0.170 213 G HA3 -0.118 3.843 3.960 0.001 0.000 0.170 213 G C -0.142 174.792 174.900 0.057 0.000 1.007 213 G CA -0.319 44.817 45.100 0.060 0.000 0.672 213 G HN 0.305 nan 8.290 nan 0.000 0.507 214 L N 0.900 122.154 121.223 0.051 0.000 2.379 214 L HA 0.510 4.850 4.340 0.001 0.000 0.269 214 L C 0.233 177.111 176.870 0.013 0.000 1.084 214 L CA -1.003 53.855 54.840 0.030 0.000 0.802 214 L CB 1.040 43.109 42.059 0.017 0.000 1.175 214 L HN 0.104 nan 8.230 nan 0.000 0.448 215 D N 2.110 122.516 120.400 0.010 0.000 2.338 215 D HA 0.224 4.864 4.640 0.001 0.000 0.255 215 D C -0.972 175.334 176.300 0.009 0.000 1.237 215 D CA 0.028 54.033 54.000 0.009 0.000 0.883 215 D CB 0.863 41.668 40.800 0.009 0.000 1.087 215 D HN 0.067 nan 8.370 nan 0.000 0.485 216 V N 3.670 123.574 119.914 -0.016 0.000 2.604 216 V HA 0.463 4.583 4.120 0.001 0.000 0.305 216 V C 0.309 176.351 176.094 -0.088 0.000 1.043 216 V CA -0.695 61.568 62.300 -0.062 0.000 0.888 216 V CB 2.208 33.969 31.823 -0.105 0.000 0.995 216 V HN 0.534 nan 8.190 nan 0.000 0.429 217 T N 3.476 117.960 114.554 -0.116 0.000 2.848 217 T HA 0.590 4.940 4.350 0.001 0.000 0.285 217 T C -0.611 173.909 174.700 -0.299 0.000 0.995 217 T CA -0.420 61.581 62.100 -0.165 0.000 0.970 217 T CB 1.845 70.721 68.868 0.012 0.000 0.976 217 T HN 0.342 nan 8.240 nan 0.000 0.441 218 V N 4.164 123.811 119.914 -0.446 0.000 2.435 218 V HA 0.506 4.626 4.120 0.001 0.000 0.290 218 V C -0.087 175.866 176.094 -0.235 0.000 1.030 218 V CA -0.800 61.245 62.300 -0.425 0.000 0.881 218 V CB 1.597 32.991 31.823 -0.715 0.000 0.983 218 V HN 0.879 nan 8.190 nan 0.000 0.445 219 M N 6.054 125.574 119.600 -0.133 0.000 2.149 219 M HA 0.596 5.076 4.480 0.001 0.000 0.342 219 M C -1.427 174.900 176.300 0.044 0.000 1.068 219 M CA -0.361 54.926 55.300 -0.021 0.000 0.991 219 M CB 1.284 33.862 32.600 -0.036 0.000 1.596 219 M HN 0.453 nan 8.290 nan 0.000 0.439 220 V N 6.011 125.997 119.914 0.121 0.000 2.417 220 V HA 0.379 4.499 4.120 0.001 0.000 0.291 220 V C 0.790 176.956 176.094 0.121 0.000 1.024 220 V CA -0.612 61.767 62.300 0.131 0.000 0.861 220 V CB 1.411 33.344 31.823 0.183 0.000 0.985 220 V HN 1.000 nan 8.190 nan 0.000 0.436 221 R N 2.795 123.348 120.500 0.087 0.000 2.062 221 R HA -0.055 4.286 4.340 0.001 0.000 0.229 221 R C 1.548 177.881 176.300 0.055 0.000 1.128 221 R CA 1.874 58.014 56.100 0.066 0.000 0.960 221 R CB 0.246 30.576 30.300 0.050 0.000 0.855 221 R HN 0.908 nan 8.270 nan 0.000 0.432 222 S N -0.435 115.302 115.700 0.061 0.000 3.830 222 S HA 0.236 4.707 4.470 0.001 0.000 0.172 222 S C 0.629 175.264 174.600 0.058 0.000 0.966 222 S CA -0.343 57.887 58.200 0.050 0.000 1.124 222 S CB -0.349 62.875 63.200 0.040 0.000 1.697 222 S HN 0.290 nan 8.310 nan 0.000 0.872 223 I N 0.768 121.374 120.570 0.060 0.000 2.793 223 I HA 0.635 4.806 4.170 0.001 0.000 0.313 223 I C -0.957 175.208 176.117 0.080 0.000 0.998 223 I CA -1.383 59.953 61.300 0.060 0.000 1.140 223 I CB 1.029 39.063 38.000 0.055 0.000 1.327 223 I HN 0.383 nan 8.210 nan 0.000 0.491 224 L N 4.203 125.469 121.223 0.070 0.000 2.350 224 L HA 0.361 4.701 4.340 0.001 0.000 0.275 224 L C 0.097 177.033 176.870 0.110 0.000 1.099 224 L CA -0.910 53.983 54.840 0.088 0.000 0.808 224 L CB 0.960 43.051 42.059 0.054 0.000 1.149 224 L HN 0.674 nan 8.230 nan 0.000 0.442 225 L N 1.883 123.191 121.223 0.141 0.000 3.677 225 L HA -0.223 4.117 4.340 0.001 0.000 0.464 225 L C 0.809 177.895 176.870 0.361 0.000 1.278 225 L CA 0.234 55.215 54.840 0.234 0.000 0.806 225 L CB -1.265 40.840 42.059 0.077 0.000 1.610 225 L HN 0.700 nan 8.230 nan 0.000 0.867 226 R N 0.888 121.543 120.500 0.258 0.000 2.494 226 R HA 0.210 4.551 4.340 0.001 0.000 0.291 226 R C 1.448 177.893 176.300 0.241 0.000 0.953 226 R CA 1.450 57.674 56.100 0.207 0.000 1.098 226 R CB 0.183 30.569 30.300 0.143 0.000 0.911 226 R HN 0.558 nan 8.270 nan 0.000 0.407 227 G N 3.479 112.378 108.800 0.166 0.000 2.339 227 G HA2 -0.260 3.700 3.960 0.001 0.000 0.209 227 G HA3 -0.260 3.700 3.960 0.001 0.000 0.209 227 G C -0.161 174.730 174.900 -0.015 0.000 1.015 227 G CA -0.198 44.925 45.100 0.039 0.000 0.635 227 G HN 0.503 nan 8.290 nan 0.000 0.499 228 F N 2.322 122.360 119.950 0.147 0.000 2.370 228 F HA 0.479 5.006 4.527 0.000 0.000 0.324 228 F C 0.917 176.807 175.800 0.150 0.000 1.116 228 F CA -0.503 57.618 58.000 0.201 0.000 1.123 228 F CB 0.560 39.728 39.000 0.280 0.000 1.238 228 F HN 0.024 nan 8.300 nan 0.000 0.536 229 D N 2.081 122.704 120.400 0.372 0.000 2.570 229 D HA -0.116 4.524 4.640 0.001 0.000 0.243 229 D C 0.811 177.158 176.300 0.079 0.000 1.171 229 D CA 0.169 54.256 54.000 0.145 0.000 0.879 229 D CB 0.851 41.632 40.800 -0.030 0.000 1.143 229 D HN 0.482 nan 8.370 nan 0.000 0.511 230 Q N 3.034 122.862 119.800 0.047 0.000 2.224 230 Q HA -0.154 4.187 4.340 0.001 0.000 0.203 230 Q C 1.301 177.277 176.000 -0.040 0.000 0.970 230 Q CA 1.045 56.859 55.803 0.020 0.000 0.865 230 Q CB -0.078 28.674 28.738 0.024 0.000 0.922 230 Q HN 0.642 nan 8.270 nan 0.000 0.445 231 D N -0.430 119.929 120.400 -0.067 0.000 2.149 231 D HA -0.104 4.536 4.640 0.001 0.000 0.201 231 D C 1.688 177.887 176.300 -0.167 0.000 0.972 231 D CA 0.780 54.715 54.000 -0.110 0.000 0.835 231 D CB 0.218 40.954 40.800 -0.106 0.000 0.966 231 D HN -0.001 nan 8.370 nan 0.000 0.476 232 M N 0.636 120.118 119.600 -0.196 0.000 2.086 232 M HA -0.028 4.452 4.480 0.001 0.000 0.261 232 M C 2.411 178.515 176.300 -0.327 0.000 1.067 232 M CA 1.321 56.419 55.300 -0.338 0.000 1.116 232 M CB -1.541 30.697 32.600 -0.603 0.000 1.348 232 M HN 0.122 nan 8.290 nan 0.000 0.407 233 A N 0.994 123.689 122.820 -0.209 0.000 1.892 233 A HA -0.218 4.102 4.320 0.001 0.000 0.218 233 A C 2.061 179.576 177.584 -0.114 0.000 1.188 233 A CA 2.103 54.062 52.037 -0.129 0.000 0.631 233 A CB -0.895 18.094 19.000 -0.019 0.000 0.822 233 A HN 0.515 nan 8.150 nan 0.000 0.447 234 N N -0.131 118.504 118.700 -0.109 0.000 2.166 234 N HA -0.114 4.626 4.740 0.001 0.000 0.186 234 N C 1.620 177.062 175.510 -0.114 0.000 1.019 234 N CA 1.466 54.450 53.050 -0.110 0.000 0.856 234 N CB -0.332 38.097 38.487 -0.096 0.000 0.993 234 N HN 0.585 nan 8.380 nan 0.000 0.426 235 K N 0.608 120.934 120.400 -0.124 0.000 2.057 235 K HA 0.003 4.323 4.320 0.001 0.000 0.207 235 K C 2.078 178.661 176.600 -0.030 0.000 1.049 235 K CA 0.783 57.019 56.287 -0.086 0.000 0.931 235 K CB -0.145 32.279 32.500 -0.126 0.000 0.714 235 K HN 0.142 nan 8.250 nan 0.000 0.440 236 I N 0.652 121.183 120.570 -0.063 0.000 2.208 236 I HA -0.232 3.938 4.170 0.001 0.000 0.245 236 I C 2.502 178.646 176.117 0.046 0.000 1.097 236 I CA 1.464 62.764 61.300 0.001 0.000 1.363 236 I CB -0.661 37.316 38.000 -0.038 0.000 1.051 236 I HN 0.301 nan 8.210 nan 0.000 0.413 237 G N 0.105 108.869 108.800 -0.059 0.000 2.446 237 G HA2 -0.253 3.707 3.960 0.001 0.000 0.217 237 G HA3 -0.253 3.707 3.960 0.001 0.000 0.217 237 G C 1.553 176.322 174.900 -0.218 0.000 1.168 237 G CA 0.721 45.689 45.100 -0.220 0.000 0.771 237 G HN 0.397 nan 8.290 nan 0.000 0.551 238 E N -0.813 119.318 120.200 -0.115 0.000 2.110 238 E HA -0.139 4.211 4.350 0.001 0.000 0.193 238 E C 2.181 178.799 176.600 0.031 0.000 0.988 238 E CA 0.612 56.969 56.400 -0.072 0.000 0.804 238 E CB -0.192 29.478 29.700 -0.050 0.000 0.745 238 E HN 0.564 nan 8.360 nan 0.000 0.458 239 H N 0.307 119.397 119.070 0.034 0.000 2.363 239 H HA -0.041 4.515 4.556 0.001 0.000 0.301 239 H C 2.043 177.514 175.328 0.238 0.000 1.074 239 H CA 1.295 57.435 56.048 0.154 0.000 1.354 239 H CB 0.065 29.911 29.762 0.140 0.000 1.397 239 H HN 0.162 nan 8.280 nan 0.000 0.516 240 M N 0.415 120.191 119.600 0.294 0.000 2.117 240 M HA -0.166 4.314 4.480 0.001 0.000 0.262 240 M C 2.434 178.896 176.300 0.269 0.000 1.065 240 M CA 1.897 57.388 55.300 0.318 0.000 1.114 240 M CB -0.141 32.728 32.600 0.449 0.000 1.361 240 M HN 0.295 nan 8.290 nan 0.000 0.408 241 E N 0.590 120.913 120.200 0.205 0.000 2.077 241 E HA -0.224 4.126 4.350 0.001 0.000 0.193 241 E C 1.642 178.251 176.600 0.015 0.000 0.989 241 E CA 1.471 57.963 56.400 0.153 0.000 0.800 241 E CB 0.081 29.790 29.700 0.014 0.000 0.746 241 E HN 0.489 nan 8.360 nan 0.000 0.452 242 E N -1.028 119.119 120.200 -0.088 0.000 2.268 242 E HA -0.128 4.222 4.350 0.001 0.000 0.195 242 E C 0.200 176.514 176.600 -0.478 0.000 0.995 242 E CA 0.734 56.966 56.400 -0.281 0.000 0.836 242 E CB 0.077 29.560 29.700 -0.361 0.000 0.763 242 E HN 0.405 nan 8.360 nan 0.000 0.491 243 H N -1.336 117.645 119.070 -0.148 0.000 2.474 243 H HA 0.330 4.886 4.556 0.001 0.000 0.250 243 H C 0.629 175.935 175.328 -0.037 0.000 1.307 243 H CA 0.146 56.120 56.048 -0.124 0.000 1.058 243 H CB 0.763 30.400 29.762 -0.208 0.000 1.693 243 H HN 0.253 nan 8.280 nan 0.000 0.552 244 G N 0.479 109.299 108.800 0.033 0.000 3.922 244 G HA2 -0.294 3.667 3.960 0.001 0.000 0.208 244 G HA3 -0.294 3.667 3.960 0.001 0.000 0.208 244 G C 0.288 175.215 174.900 0.045 0.000 1.491 244 G CA -0.294 44.829 45.100 0.038 0.000 1.017 244 G HN 0.322 nan 8.290 nan 0.000 0.603 245 I N 3.317 123.927 120.570 0.066 0.000 2.919 245 I HA 0.125 4.295 4.170 0.001 0.000 0.299 245 I C 0.858 177.000 176.117 0.041 0.000 1.221 245 I CA 0.865 62.171 61.300 0.010 0.000 1.424 245 I CB 0.377 38.381 38.000 0.007 0.000 1.358 245 I HN 0.226 nan 8.210 nan 0.000 0.551 246 K N 6.561 126.924 120.400 -0.062 0.000 2.143 246 K HA 0.565 4.886 4.320 0.001 0.000 0.272 246 K C -1.022 175.489 176.600 -0.148 0.000 1.001 246 K CA -0.502 55.789 56.287 0.007 0.000 0.915 246 K CB 1.147 33.650 32.500 0.005 0.000 1.047 246 K HN 0.215 nan 8.250 nan 0.000 0.458 247 F N 2.012 121.965 119.950 0.005 0.000 2.482 247 F HA 0.422 4.950 4.527 0.001 0.000 0.331 247 F C 0.044 175.851 175.800 0.011 0.000 1.115 247 F CA -0.823 57.183 58.000 0.010 0.000 0.955 247 F CB 1.175 40.185 39.000 0.016 0.000 1.136 247 F HN 0.221 nan 8.300 nan 0.000 0.452 248 I N 5.098 125.749 120.570 0.135 0.000 2.330 248 I HA 0.399 4.569 4.170 0.001 0.000 0.289 248 I C -0.422 175.822 176.117 0.211 0.000 1.001 248 I CA -0.880 60.481 61.300 0.102 0.000 1.193 248 I CB 0.794 38.772 38.000 -0.038 0.000 1.345 248 I HN 0.363 nan 8.210 nan 0.000 0.461 249 R N 4.999 125.654 120.500 0.258 0.000 2.368 249 R HA 0.375 4.716 4.340 0.001 0.000 0.302 249 R C -0.314 176.169 176.300 0.304 0.000 1.002 249 R CA -0.796 55.451 56.100 0.245 0.000 0.929 249 R CB 0.967 31.365 30.300 0.163 0.000 1.073 249 R HN 0.557 nan 8.270 nan 0.000 0.464 250 Q N 0.764 120.675 119.800 0.184 0.000 2.459 250 Q HA -0.211 4.129 4.340 0.001 0.000 0.322 250 Q C -1.345 174.608 176.000 -0.078 0.000 1.427 250 Q CA 0.907 56.737 55.803 0.046 0.000 0.861 250 Q CB -1.341 27.375 28.738 -0.037 0.000 1.137 250 Q HN 0.448 nan 8.270 nan 0.000 0.394 251 F N -1.214 118.756 119.950 0.034 0.000 2.601 251 F HA 0.727 5.254 4.527 0.000 0.000 0.309 251 F C -0.174 175.639 175.800 0.022 0.000 1.089 251 F CA -0.998 57.020 58.000 0.029 0.000 0.940 251 F CB 1.896 40.915 39.000 0.032 0.000 1.273 251 F HN -0.137 nan 8.300 nan 0.000 0.450 252 V N 3.688 123.720 119.914 0.197 0.000 2.638 252 V HA 0.478 4.599 4.120 0.001 0.000 0.306 252 V C -2.306 173.864 176.094 0.127 0.000 1.052 252 V CA -1.998 60.373 62.300 0.118 0.000 0.885 252 V CB 2.254 34.114 31.823 0.062 0.000 0.999 252 V HN 0.460 nan 8.190 nan 0.000 0.424 253 P HA 0.180 nan 4.420 nan 0.000 0.269 253 P C 0.369 177.716 177.300 0.079 0.000 1.215 253 P CA 0.137 63.287 63.100 0.083 0.000 0.780 253 P CB 0.946 32.676 31.700 0.050 0.000 0.898 254 T N -1.321 113.281 114.554 0.081 0.000 2.987 254 T HA 0.171 4.521 4.350 0.001 0.000 0.248 254 T C 0.465 175.206 174.700 0.068 0.000 0.997 254 T CA 0.095 62.237 62.100 0.070 0.000 1.013 254 T CB 0.108 69.016 68.868 0.068 0.000 1.077 254 T HN 0.574 nan 8.240 nan 0.000 0.483 255 K N 0.439 120.883 120.400 0.074 0.000 2.546 255 K HA 0.681 5.001 4.320 0.001 0.000 0.264 255 K C -2.215 174.439 176.600 0.088 0.000 0.937 255 K CA -1.075 55.260 56.287 0.080 0.000 0.833 255 K CB 1.648 34.191 32.500 0.071 0.000 1.378 255 K HN 0.013 nan 8.250 nan 0.000 0.432 256 I N 2.170 122.808 120.570 0.115 0.000 2.410 256 I HA 0.193 4.364 4.170 0.001 0.000 0.286 256 I C -0.849 175.352 176.117 0.140 0.000 1.009 256 I CA -0.238 61.138 61.300 0.126 0.000 1.111 256 I CB 1.861 39.959 38.000 0.163 0.000 1.262 256 I HN 0.643 nan 8.210 nan 0.000 0.443 257 E N 5.451 125.670 120.200 0.032 0.000 2.212 257 E HA 0.458 4.809 4.350 0.001 0.000 0.268 257 E C -0.998 175.443 176.600 -0.266 0.000 0.902 257 E CA -1.099 55.265 56.400 -0.060 0.000 0.779 257 E CB 1.879 31.573 29.700 -0.010 0.000 1.172 257 E HN 0.480 nan 8.360 nan 0.000 0.409 258 Q N 2.749 122.203 119.800 -0.576 0.000 2.296 258 Q HA 0.162 4.503 4.340 0.001 0.000 0.262 258 Q C 0.006 175.844 176.000 -0.270 0.000 0.981 258 Q CA -0.022 55.422 55.803 -0.598 0.000 0.905 258 Q CB 0.787 28.953 28.738 -0.954 0.000 1.186 258 Q HN 0.782 nan 8.270 nan 0.000 0.399 259 I N 2.559 123.016 120.570 -0.189 0.000 3.035 259 I HA 0.118 4.289 4.170 0.001 0.000 0.271 259 I C 0.411 176.466 176.117 -0.103 0.000 1.190 259 I CA 0.501 61.730 61.300 -0.118 0.000 1.472 259 I CB 0.400 38.344 38.000 -0.093 0.000 1.116 259 I HN 0.686 nan 8.210 nan 0.000 0.443 260 E N 0.417 120.547 120.200 -0.118 0.000 2.422 260 E HA 0.476 4.826 4.350 0.001 0.000 0.289 260 E C -1.422 175.122 176.600 -0.094 0.000 0.985 260 E CA -0.592 55.755 56.400 -0.090 0.000 0.812 260 E CB 1.461 31.116 29.700 -0.075 0.000 1.226 260 E HN 0.060 nan 8.360 nan 0.000 0.419 261 A N 2.178 124.959 122.820 -0.066 0.000 2.388 261 A HA 0.812 5.133 4.320 0.001 0.000 0.257 261 A C 0.334 177.871 177.584 -0.079 0.000 1.095 261 A CA 0.739 52.743 52.037 -0.054 0.000 0.791 261 A CB 0.923 19.914 19.000 -0.014 0.000 1.029 261 A HN 0.681 nan 8.150 nan 0.000 0.489 262 G N -0.736 107.995 108.800 -0.115 0.000 2.554 262 G HA2 0.557 4.518 3.960 0.001 0.000 0.306 262 G HA3 0.557 4.518 3.960 0.001 0.000 0.306 262 G C -0.614 174.101 174.900 -0.308 0.000 1.320 262 G CA 0.288 45.288 45.100 -0.167 0.000 0.800 262 G HN 1.407 nan 8.290 nan 0.000 0.481 263 T N -0.261 114.058 114.554 -0.392 0.000 3.504 263 T HA 0.609 4.960 4.350 0.001 0.000 0.286 263 T C -2.659 171.602 174.700 -0.731 0.000 1.530 263 T CA -1.209 60.396 62.100 -0.825 0.000 1.652 263 T CB 1.352 69.983 68.868 -0.395 0.000 0.895 263 T HN 0.478 nan 8.240 nan 0.000 0.674 264 P HA 0.504 nan 4.420 nan 0.000 0.279 264 P C 0.623 177.740 177.300 -0.306 0.000 1.252 264 P CA -0.084 62.663 63.100 -0.588 0.000 0.811 264 P CB 1.322 32.889 31.700 -0.222 0.000 1.035 265 G N 1.658 110.324 108.800 -0.223 0.000 2.582 265 G HA2 0.451 4.411 3.960 0.001 0.000 0.232 265 G HA3 0.451 4.411 3.960 0.001 0.000 0.232 265 G C -0.642 174.198 174.900 -0.100 0.000 1.458 265 G CA -0.753 44.264 45.100 -0.139 0.000 1.062 265 G HN 0.460 nan 8.290 nan 0.000 0.566 266 R N -0.939 119.505 120.500 -0.094 0.000 2.532 266 R HA 0.510 4.850 4.340 0.001 0.000 0.297 266 R C -1.171 175.074 176.300 -0.091 0.000 0.984 266 R CA -0.430 55.623 56.100 -0.078 0.000 0.884 266 R CB 1.931 32.182 30.300 -0.082 0.000 1.182 266 R HN 0.252 nan 8.270 nan 0.000 0.442 267 L N 2.266 123.463 121.223 -0.043 0.000 2.365 267 L HA 0.534 4.875 4.340 0.001 0.000 0.273 267 L C -0.342 176.539 176.870 0.018 0.000 1.000 267 L CA -0.848 53.967 54.840 -0.041 0.000 0.819 267 L CB 2.141 44.205 42.059 0.009 0.000 1.284 267 L HN 0.375 nan 8.230 nan 0.000 0.418 268 K N 2.601 122.994 120.400 -0.011 0.000 2.263 268 K HA 0.565 4.886 4.320 0.001 0.000 0.272 268 K C -1.286 175.356 176.600 0.070 0.000 1.033 268 K CA -0.477 55.820 56.287 0.018 0.000 0.884 268 K CB 1.548 34.036 32.500 -0.020 0.000 1.107 268 K HN 0.373 nan 8.250 nan 0.000 0.460 269 V N 3.502 123.501 119.914 0.142 0.000 2.483 269 V HA 0.319 4.440 4.120 0.001 0.000 0.295 269 V C -0.259 175.900 176.094 0.108 0.000 1.035 269 V CA -0.607 61.778 62.300 0.140 0.000 0.896 269 V CB 1.878 33.814 31.823 0.188 0.000 0.986 269 V HN 0.812 nan 8.190 nan 0.000 0.447 270 T N 3.909 118.514 114.554 0.085 0.000 2.807 270 T HA 0.799 5.149 4.350 0.001 0.000 0.279 270 T C -0.229 174.530 174.700 0.098 0.000 0.993 270 T CA -0.377 61.770 62.100 0.079 0.000 0.970 270 T CB 1.688 70.596 68.868 0.066 0.000 0.950 270 T HN 0.961 nan 8.240 nan 0.000 0.441 271 A N 2.772 125.668 122.820 0.126 0.000 2.475 271 A HA 0.807 5.128 4.320 0.001 0.000 0.301 271 A C -0.758 177.015 177.584 0.316 0.000 1.059 271 A CA -0.935 51.225 52.037 0.205 0.000 0.710 271 A CB 1.628 20.760 19.000 0.219 0.000 1.288 271 A HN 0.727 nan 8.150 nan 0.000 0.408 272 K N 1.050 121.609 120.400 0.265 0.000 2.221 272 K HA 0.531 4.851 4.320 0.001 0.000 0.258 272 K C 0.336 176.880 176.600 -0.093 0.000 0.944 272 K CA -0.313 56.066 56.287 0.152 0.000 0.823 272 K CB 1.464 33.998 32.500 0.056 0.000 1.113 272 K HN 0.825 nan 8.250 nan 0.000 0.431 273 S N 1.793 117.212 115.700 -0.468 0.000 2.559 273 S HA -0.052 4.418 4.470 0.001 0.000 0.282 273 S C 0.863 175.215 174.600 -0.413 0.000 1.336 273 S CA 0.296 57.950 58.200 -0.910 0.000 1.037 273 S CB 0.674 63.479 63.200 -0.658 0.000 0.853 273 S HN 0.726 nan 8.310 nan 0.000 0.523 274 T N 2.630 116.963 114.554 -0.369 0.000 3.014 274 T HA 0.023 4.374 4.350 0.001 0.000 0.263 274 T C 1.284 175.909 174.700 -0.126 0.000 1.078 274 T CA 1.305 63.299 62.100 -0.177 0.000 1.135 274 T CB -0.343 68.451 68.868 -0.123 0.000 0.895 274 T HN 0.877 nan 8.240 nan 0.000 0.480 275 N N 0.034 118.648 118.700 -0.143 0.000 2.325 275 N HA 0.111 4.851 4.740 0.001 0.000 0.220 275 N C 0.920 176.382 175.510 -0.081 0.000 1.176 275 N CA 0.116 53.112 53.050 -0.089 0.000 0.861 275 N CB 0.173 38.618 38.487 -0.070 0.000 1.230 275 N HN 0.295 nan 8.380 nan 0.000 0.479 276 S N -0.398 115.237 115.700 -0.109 0.000 2.561 276 S HA 0.440 4.910 4.470 0.001 0.000 0.282 276 S C 0.560 175.117 174.600 -0.071 0.000 1.123 276 S CA -0.297 57.858 58.200 -0.075 0.000 1.011 276 S CB 1.189 64.353 63.200 -0.060 0.000 1.244 276 S HN -0.043 nan 8.310 nan 0.000 0.503 277 E N 0.096 120.272 120.200 -0.040 0.000 2.562 277 E HA 0.305 4.656 4.350 0.001 0.000 0.214 277 E C 0.115 176.719 176.600 0.007 0.000 0.979 277 E CA -0.199 56.191 56.400 -0.018 0.000 1.002 277 E CB 0.037 29.735 29.700 -0.004 0.000 1.048 277 E HN 0.650 nan 8.360 nan 0.000 0.488 278 E N 0.086 120.293 120.200 0.012 0.000 2.459 278 E HA 0.011 4.361 4.350 0.001 0.000 0.264 278 E C -0.627 176.071 176.600 0.163 0.000 1.055 278 E CA 0.688 57.141 56.400 0.087 0.000 0.957 278 E CB 0.598 30.376 29.700 0.130 0.000 0.952 278 E HN -0.046 nan 8.360 nan 0.000 0.448 279 T N 3.510 118.175 114.554 0.185 0.000 2.876 279 T HA 0.542 4.892 4.350 0.001 0.000 0.289 279 T C -0.642 174.157 174.700 0.165 0.000 1.014 279 T CA -0.637 61.577 62.100 0.190 0.000 0.986 279 T CB 0.524 69.455 68.868 0.104 0.000 1.021 279 T HN 0.436 nan 8.240 nan 0.000 0.458 280 I N 0.135 120.784 120.570 0.132 0.000 2.730 280 I HA 0.764 4.934 4.170 0.001 0.000 0.298 280 I C -0.827 175.292 176.117 0.003 0.000 1.089 280 I CA -1.034 60.264 61.300 -0.004 0.000 1.041 280 I CB 2.560 40.440 38.000 -0.202 0.000 1.235 280 I HN 0.446 nan 8.210 nan 0.000 0.423 281 E N 3.028 123.219 120.200 -0.015 0.000 2.222 281 E HA 0.561 4.911 4.350 0.001 0.000 0.267 281 E C -1.582 174.992 176.600 -0.043 0.000 0.884 281 E CA -0.686 55.710 56.400 -0.007 0.000 0.764 281 E CB 2.576 32.269 29.700 -0.012 0.000 1.169 281 E HN 0.579 nan 8.360 nan 0.000 0.413 282 D N 1.177 121.556 120.400 -0.033 0.000 2.596 282 D HA 0.159 4.799 4.640 0.001 0.000 0.262 282 D C -1.552 174.593 176.300 -0.257 0.000 1.210 282 D CA -0.566 53.319 54.000 -0.191 0.000 0.873 282 D CB 1.665 42.293 40.800 -0.287 0.000 1.408 282 D HN 0.476 nan 8.370 nan 0.000 0.441 283 E N 0.587 120.501 120.200 -0.476 0.000 2.195 283 E HA 0.640 4.990 4.350 0.001 0.000 0.271 283 E C -1.293 174.875 176.600 -0.720 0.000 0.923 283 E CA -0.612 55.550 56.400 -0.396 0.000 0.790 283 E CB 1.557 31.137 29.700 -0.200 0.000 1.155 283 E HN 0.231 nan 8.360 nan 0.000 0.402 284 F N 0.986 120.897 119.950 -0.065 0.000 2.629 284 F HA 0.351 4.878 4.527 0.001 0.000 0.316 284 F C 1.098 176.858 175.800 -0.067 0.000 1.081 284 F CA -1.023 56.938 58.000 -0.065 0.000 0.954 284 F CB 1.791 40.754 39.000 -0.062 0.000 1.337 284 F HN 0.420 nan 8.300 nan 0.000 0.474 285 N N -0.424 118.358 118.700 0.137 0.000 2.333 285 N HA 0.056 4.796 4.740 0.001 0.000 0.178 285 N C -0.258 175.285 175.510 0.054 0.000 1.018 285 N CA 0.904 53.980 53.050 0.044 0.000 0.882 285 N CB 0.361 38.849 38.487 0.002 0.000 0.984 285 N HN 0.468 nan 8.380 nan 0.000 0.434 286 T N 0.583 115.179 114.554 0.070 0.000 2.971 286 T HA 0.385 4.735 4.350 0.001 0.000 0.304 286 T C -0.785 173.892 174.700 -0.039 0.000 1.038 286 T CA -0.485 61.631 62.100 0.027 0.000 1.007 286 T CB 2.896 71.760 68.868 -0.006 0.000 1.055 286 T HN -0.349 nan 8.240 nan 0.000 0.451 287 V N 4.191 124.082 119.914 -0.040 0.000 2.357 287 V HA 0.519 4.639 4.120 0.001 0.000 0.284 287 V C -0.391 175.648 176.094 -0.093 0.000 1.018 287 V CA -0.815 61.413 62.300 -0.120 0.000 0.841 287 V CB 1.261 33.032 31.823 -0.087 0.000 0.991 287 V HN 0.728 nan 8.190 nan 0.000 0.437 288 L N 7.018 128.153 121.223 -0.146 0.000 2.272 288 L HA 0.582 4.922 4.340 0.001 0.000 0.289 288 L C -0.603 176.179 176.870 -0.147 0.000 1.032 288 L CA 0.166 54.924 54.840 -0.137 0.000 0.810 288 L CB 0.985 42.946 42.059 -0.164 0.000 1.205 288 L HN 0.520 nan 8.230 nan 0.000 0.422 289 L N 6.199 127.334 121.223 -0.147 0.000 2.264 289 L HA 0.672 5.012 4.340 0.001 0.000 0.289 289 L C 0.196 176.963 176.870 -0.172 0.000 1.044 289 L CA -0.464 54.276 54.840 -0.168 0.000 0.807 289 L CB 1.371 43.293 42.059 -0.228 0.000 1.192 289 L HN 0.856 nan 8.230 nan 0.000 0.425 290 A N 3.968 126.706 122.820 -0.136 0.000 3.159 290 A HA 0.493 4.814 4.320 0.001 0.000 0.330 290 A C 0.092 177.619 177.584 -0.095 0.000 1.032 290 A CA -0.340 51.624 52.037 -0.121 0.000 0.841 290 A CB 0.410 19.342 19.000 -0.114 0.000 1.093 290 A HN 0.532 nan 8.150 nan 0.000 0.478 291 V N -1.440 118.420 119.914 -0.091 0.000 2.854 291 V HA 0.700 4.820 4.120 0.001 0.000 0.366 291 V C 0.479 176.556 176.094 -0.029 0.000 1.322 291 V CA 0.061 62.331 62.300 -0.050 0.000 1.243 291 V CB -0.788 31.010 31.823 -0.042 0.000 1.337 291 V HN 2.003 nan 8.190 nan 0.000 0.585 292 G N 0.967 109.747 108.800 -0.034 0.000 2.603 292 G HA2 0.036 3.996 3.960 0.001 0.000 0.686 292 G HA3 0.036 3.996 3.960 0.001 0.000 0.686 292 G C -0.817 174.085 174.900 0.005 0.000 1.286 292 G CA -0.652 44.447 45.100 -0.001 0.000 0.871 292 G HN 0.720 nan 8.290 nan 0.000 0.568 293 R N 0.104 120.626 120.500 0.038 0.000 2.725 293 R HA 0.602 4.942 4.340 0.001 0.000 0.277 293 R C -1.782 174.562 176.300 0.074 0.000 0.987 293 R CA -1.047 55.088 56.100 0.059 0.000 0.901 293 R CB 2.255 32.599 30.300 0.073 0.000 1.207 293 R HN 0.520 nan 8.270 nan 0.000 0.463 294 D N 0.814 121.266 120.400 0.087 0.000 2.192 294 D HA 0.237 4.877 4.640 0.001 0.000 0.246 294 D C -0.369 175.987 176.300 0.094 0.000 1.042 294 D CA -0.315 53.737 54.000 0.086 0.000 0.847 294 D CB 2.034 42.889 40.800 0.090 0.000 1.186 294 D HN 0.265 nan 8.370 nan 0.000 0.461 295 S N 0.769 116.519 115.700 0.083 0.000 2.549 295 S HA 0.042 4.512 4.470 0.001 0.000 0.286 295 S C 0.314 174.969 174.600 0.092 0.000 1.314 295 S CA -0.352 57.899 58.200 0.084 0.000 1.062 295 S CB 0.284 63.524 63.200 0.068 0.000 0.865 295 S HN 0.455 nan 8.310 nan 0.000 0.498 296 C N 3.795 123.155 119.300 0.101 0.000 2.615 296 C HA 0.323 4.783 4.460 0.001 0.000 0.503 296 C C 1.801 176.847 174.990 0.093 0.000 1.039 296 C CA -0.591 58.495 59.018 0.113 0.000 1.226 296 C CB -2.197 25.623 27.740 0.132 0.000 1.447 296 C HN 1.040 nan 8.230 nan 0.000 0.572 297 T N -2.750 111.854 114.554 0.084 0.000 3.087 297 T HA 0.097 4.447 4.350 0.001 0.000 0.283 297 T C 1.582 176.325 174.700 0.071 0.000 0.956 297 T CA -0.235 61.908 62.100 0.071 0.000 0.894 297 T CB -0.005 68.897 68.868 0.056 0.000 1.160 297 T HN 0.419 nan 8.240 nan 0.000 0.532 298 R N 2.202 122.749 120.500 0.078 0.000 2.161 298 R HA 0.116 4.456 4.340 0.001 0.000 0.213 298 R C 1.721 178.068 176.300 0.078 0.000 1.055 298 R CA 1.521 57.662 56.100 0.068 0.000 0.996 298 R CB -0.677 29.660 30.300 0.061 0.000 0.901 298 R HN 0.632 nan 8.270 nan 0.000 0.456 299 T N -1.753 112.868 114.554 0.112 0.000 3.266 299 T HA 0.277 4.627 4.350 0.001 0.000 0.278 299 T C 1.167 175.981 174.700 0.189 0.000 1.010 299 T CA -0.484 61.696 62.100 0.133 0.000 0.909 299 T CB -0.550 68.396 68.868 0.130 0.000 1.122 299 T HN 0.277 nan 8.240 nan 0.000 0.536 300 I N -2.568 118.079 120.570 0.129 0.000 3.914 300 I HA 0.637 4.808 4.170 0.001 0.000 0.333 300 I C 1.228 177.418 176.117 0.123 0.000 1.449 300 I CA -0.595 60.751 61.300 0.076 0.000 1.135 300 I CB -0.419 37.573 38.000 -0.014 0.000 1.073 300 I HN 0.246 nan 8.210 nan 0.000 0.401 301 G N 2.236 111.112 108.800 0.126 0.000 2.221 301 G HA2 -0.255 3.706 3.960 0.001 0.000 0.265 301 G HA3 -0.255 3.706 3.960 0.001 0.000 0.265 301 G C 0.604 175.589 174.900 0.143 0.000 1.041 301 G CA 0.550 45.729 45.100 0.131 0.000 0.807 301 G HN 0.495 nan 8.290 nan 0.000 0.502 302 L N -0.777 120.506 121.223 0.100 0.000 2.131 302 L HA -0.109 4.231 4.340 0.001 0.000 0.210 302 L C 2.820 179.651 176.870 -0.065 0.000 1.092 302 L CA 2.080 56.913 54.840 -0.012 0.000 0.759 302 L CB -0.440 41.610 42.059 -0.015 0.000 0.903 302 L HN 0.446 nan 8.230 nan 0.000 0.435 303 E N -0.149 120.037 120.200 -0.023 0.000 2.097 303 E HA -0.237 4.113 4.350 0.001 0.000 0.196 303 E C 2.005 178.577 176.600 -0.047 0.000 1.000 303 E CA 1.904 58.285 56.400 -0.032 0.000 0.804 303 E CB -0.952 28.743 29.700 -0.009 0.000 0.740 303 E HN 0.524 nan 8.360 nan 0.000 0.454 304 T N -1.647 112.889 114.554 -0.031 0.000 3.113 304 T HA -0.015 4.336 4.350 0.001 0.000 0.263 304 T C 1.459 176.109 174.700 -0.083 0.000 1.143 304 T CA 0.922 63.005 62.100 -0.028 0.000 1.090 304 T CB -0.193 68.687 68.868 0.021 0.000 0.922 304 T HN 0.175 nan 8.240 nan 0.000 0.521 305 V N -3.932 115.872 119.914 -0.185 0.000 3.432 305 V HA 0.699 4.819 4.120 0.001 0.000 0.298 305 V C 1.605 177.545 176.094 -0.256 0.000 1.464 305 V CA -0.143 61.989 62.300 -0.280 0.000 1.046 305 V CB -0.525 30.913 31.823 -0.641 0.000 0.887 305 V HN 0.567 nan 8.190 nan 0.000 0.441 306 G N 0.992 109.677 108.800 -0.191 0.000 2.137 306 G HA2 -0.198 3.762 3.960 0.001 0.000 0.237 306 G HA3 -0.198 3.762 3.960 0.001 0.000 0.237 306 G C 0.023 174.816 174.900 -0.178 0.000 1.002 306 G CA 0.077 45.087 45.100 -0.150 0.000 0.702 306 G HN 0.770 nan 8.290 nan 0.000 0.515 307 V N 0.867 120.647 119.914 -0.222 0.000 2.508 307 V HA 0.268 4.389 4.120 0.001 0.000 0.281 307 V C 0.957 176.976 176.094 -0.125 0.000 1.041 307 V CA 0.044 62.221 62.300 -0.206 0.000 1.016 307 V CB 1.246 32.922 31.823 -0.245 0.000 0.984 307 V HN 0.328 nan 8.190 nan 0.000 0.478 308 K N 5.824 126.160 120.400 -0.107 0.000 2.258 308 K HA 0.567 4.888 4.320 0.001 0.000 0.284 308 K C -0.278 176.288 176.600 -0.056 0.000 1.051 308 K CA -0.217 56.027 56.287 -0.072 0.000 0.923 308 K CB 1.149 33.609 32.500 -0.066 0.000 1.046 308 K HN 0.735 nan 8.250 nan 0.000 0.474 309 I N -0.810 119.738 120.570 -0.037 0.000 2.797 309 I HA 0.367 4.538 4.170 0.001 0.000 0.307 309 I C -0.235 175.872 176.117 -0.017 0.000 1.033 309 I CA -1.089 60.197 61.300 -0.023 0.000 1.071 309 I CB 1.712 39.707 38.000 -0.008 0.000 1.255 309 I HN 0.384 nan 8.210 nan 0.000 0.445 310 N N 3.480 122.173 118.700 -0.012 0.000 2.416 310 N HA -0.003 4.738 4.740 0.001 0.000 0.265 310 N C 0.697 176.207 175.510 0.001 0.000 1.195 310 N CA 0.264 53.309 53.050 -0.007 0.000 0.943 310 N CB 0.813 39.296 38.487 -0.006 0.000 1.115 310 N HN 0.661 nan 8.380 nan 0.000 0.481 311 E N 3.574 123.774 120.200 -0.000 0.000 2.077 311 E HA -0.197 4.153 4.350 0.001 0.000 0.193 311 E C 1.341 177.947 176.600 0.011 0.000 0.989 311 E CA 1.040 57.443 56.400 0.005 0.000 0.800 311 E CB 0.063 29.765 29.700 0.002 0.000 0.746 311 E HN 0.659 nan 8.360 nan 0.000 0.452 312 K N 0.308 120.714 120.400 0.010 0.000 1.984 312 K HA -0.114 4.206 4.320 0.001 0.000 0.209 312 K C 2.231 178.843 176.600 0.019 0.000 1.046 312 K CA 2.009 58.304 56.287 0.014 0.000 0.934 312 K CB -0.182 32.324 32.500 0.011 0.000 0.717 312 K HN 0.253 nan 8.250 nan 0.000 0.438 313 T N -3.402 111.162 114.554 0.018 0.000 2.942 313 T HA 0.097 4.447 4.350 0.001 0.000 0.265 313 T C 1.496 176.213 174.700 0.030 0.000 1.062 313 T CA 1.258 63.373 62.100 0.024 0.000 1.139 313 T CB 0.007 68.887 68.868 0.020 0.000 0.883 313 T HN 0.471 nan 8.240 nan 0.000 0.468 314 G N 1.368 110.183 108.800 0.025 0.000 2.195 314 G HA2 -0.209 3.751 3.960 0.001 0.000 0.246 314 G HA3 -0.209 3.751 3.960 0.001 0.000 0.246 314 G C 0.145 175.063 174.900 0.029 0.000 0.984 314 G CA 0.088 45.206 45.100 0.031 0.000 0.633 314 G HN 0.638 nan 8.290 nan 0.000 0.525 315 K N 0.418 120.831 120.400 0.022 0.000 2.219 315 K HA 0.513 4.834 4.320 0.001 0.000 0.258 315 K C 0.614 177.217 176.600 0.004 0.000 1.008 315 K CA -0.273 56.024 56.287 0.016 0.000 0.928 315 K CB 1.014 33.519 32.500 0.009 0.000 0.983 315 K HN 0.351 nan 8.250 nan 0.000 0.484 316 I N 3.937 124.507 120.570 0.001 0.000 2.312 316 I HA 0.169 4.339 4.170 0.001 0.000 0.290 316 I C -2.136 173.964 176.117 -0.028 0.000 1.008 316 I CA -2.417 58.875 61.300 -0.013 0.000 1.226 316 I CB 1.349 39.345 38.000 -0.006 0.000 1.371 316 I HN 0.161 nan 8.210 nan 0.000 0.468 317 P HA 0.172 nan 4.420 nan 0.000 0.269 317 P C -0.700 176.567 177.300 -0.054 0.000 1.209 317 P CA -0.078 62.994 63.100 -0.047 0.000 0.776 317 P CB 1.127 32.799 31.700 -0.047 0.000 0.876 318 V N 1.434 121.315 119.914 -0.055 0.000 3.048 318 V HA 0.345 4.466 4.120 0.001 0.000 0.303 318 V C 0.114 176.184 176.094 -0.039 0.000 1.214 318 V CA -0.499 61.773 62.300 -0.048 0.000 0.984 318 V CB 2.432 34.239 31.823 -0.026 0.000 1.054 318 V HN 0.747 nan 8.190 nan 0.000 0.430 319 T N 0.324 114.861 114.554 -0.029 0.000 2.748 319 T HA 0.094 4.444 4.350 0.001 0.000 0.304 319 T C 0.985 175.698 174.700 0.022 0.000 1.041 319 T CA 0.433 62.528 62.100 -0.009 0.000 1.033 319 T CB 0.479 69.344 68.868 -0.006 0.000 0.995 319 T HN 0.865 nan 8.240 nan 0.000 0.536 320 D N -0.547 119.872 120.400 0.032 0.000 2.392 320 D HA -0.110 4.530 4.640 0.001 0.000 0.228 320 D C 0.939 177.300 176.300 0.101 0.000 1.003 320 D CA 0.709 54.749 54.000 0.067 0.000 0.917 320 D CB -0.265 40.571 40.800 0.060 0.000 0.890 320 D HN 0.858 nan 8.370 nan 0.000 0.532 321 E N -0.146 120.112 120.200 0.097 0.000 2.499 321 E HA 0.088 4.439 4.350 0.001 0.000 0.199 321 E C -0.410 176.307 176.600 0.194 0.000 1.016 321 E CA -0.203 56.272 56.400 0.125 0.000 0.933 321 E CB 0.295 30.068 29.700 0.121 0.000 1.050 321 E HN 0.051 nan 8.360 nan 0.000 0.462 322 E N 0.476 120.777 120.200 0.170 0.000 3.286 322 E HA -0.233 4.117 4.350 0.001 0.000 0.292 322 E C -0.179 176.568 176.600 0.246 0.000 0.928 322 E CA 0.623 57.143 56.400 0.201 0.000 0.982 322 E CB -1.160 28.671 29.700 0.218 0.000 1.500 322 E HN 0.271 nan 8.360 nan 0.000 0.441 323 Q N 0.872 120.727 119.800 0.092 0.000 2.261 323 Q HA 0.346 4.686 4.340 0.001 0.000 0.252 323 Q C 0.526 176.383 176.000 -0.238 0.000 0.915 323 Q CA 0.271 55.888 55.803 -0.309 0.000 0.915 323 Q CB 0.862 29.416 28.738 -0.306 0.000 1.204 323 Q HN 0.296 nan 8.270 nan 0.000 0.421 324 T N 0.155 114.518 114.554 -0.319 0.000 2.729 324 T HA 0.060 4.411 4.350 0.001 0.000 0.298 324 T C 1.314 175.880 174.700 -0.223 0.000 1.013 324 T CA -0.068 61.898 62.100 -0.224 0.000 0.957 324 T CB 0.336 69.065 68.868 -0.232 0.000 1.130 324 T HN 0.801 nan 8.240 nan 0.000 0.526 325 N N -0.131 118.462 118.700 -0.178 0.000 2.223 325 N HA -0.093 4.648 4.740 0.001 0.000 0.185 325 N C 0.464 175.866 175.510 -0.180 0.000 1.016 325 N CA 0.604 53.564 53.050 -0.150 0.000 0.863 325 N CB -1.013 37.404 38.487 -0.117 0.000 0.983 325 N HN 0.421 nan 8.380 nan 0.000 0.429 326 V N 3.249 123.010 119.914 -0.256 0.000 2.405 326 V HA 0.117 4.238 4.120 0.001 0.000 0.264 326 V C -1.278 174.603 176.094 -0.356 0.000 1.048 326 V CA -1.082 61.029 62.300 -0.315 0.000 0.966 326 V CB 1.124 32.654 31.823 -0.488 0.000 1.015 326 V HN 0.049 nan 8.190 nan 0.000 0.477 327 P HA -0.179 nan 4.420 nan 0.000 0.218 327 P C 0.972 178.214 177.300 -0.098 0.000 1.146 327 P CA 1.537 64.563 63.100 -0.123 0.000 0.813 327 P CB -0.043 31.675 31.700 0.030 0.000 0.778 328 Y N -2.710 117.538 120.300 -0.087 0.000 2.468 328 Y HA 0.465 5.016 4.550 0.001 0.000 0.268 328 Y C 0.369 176.319 175.900 0.083 0.000 1.177 328 Y CA -0.860 57.272 58.100 0.053 0.000 1.265 328 Y CB -0.566 37.966 38.460 0.120 0.000 1.103 328 Y HN -0.203 nan 8.280 nan 0.000 0.522 329 I N 1.396 121.694 120.570 -0.454 0.000 2.418 329 I HA 0.328 4.498 4.170 0.001 0.000 0.287 329 I C -1.270 174.644 176.117 -0.338 0.000 1.008 329 I CA -0.906 60.221 61.300 -0.288 0.000 1.104 329 I CB 1.273 38.959 38.000 -0.523 0.000 1.264 329 I HN -0.034 nan 8.210 nan 0.000 0.438 330 Y N 4.094 124.413 120.300 0.030 0.000 2.549 330 Y HA 0.818 5.368 4.550 0.000 0.000 0.339 330 Y C 0.220 176.151 175.900 0.051 0.000 1.053 330 Y CA -0.829 57.289 58.100 0.030 0.000 1.105 330 Y CB 2.115 40.600 38.460 0.042 0.000 1.258 330 Y HN 0.557 nan 8.280 nan 0.000 0.478 331 A N 2.302 125.238 122.820 0.193 0.000 2.475 331 A HA 0.863 5.183 4.320 0.001 0.000 0.301 331 A C -1.883 175.779 177.584 0.131 0.000 1.059 331 A CA -0.586 51.531 52.037 0.133 0.000 0.710 331 A CB 1.326 20.369 19.000 0.072 0.000 1.288 331 A HN 0.487 nan 8.150 nan 0.000 0.408 332 I N 0.614 121.253 120.570 0.114 0.000 2.802 332 I HA 0.728 4.898 4.170 0.001 0.000 0.298 332 I C 0.795 176.973 176.117 0.101 0.000 1.176 332 I CA 0.787 62.156 61.300 0.115 0.000 1.025 332 I CB 1.232 39.294 38.000 0.104 0.000 1.243 332 I HN 1.708 nan 8.210 nan 0.000 0.424 333 G N 5.821 114.689 108.800 0.113 0.000 2.512 333 G HA2 -0.231 3.729 3.960 0.001 0.000 0.240 333 G HA3 -0.231 3.729 3.960 0.001 0.000 0.240 333 G C 0.406 175.363 174.900 0.095 0.000 1.246 333 G CA 0.348 45.510 45.100 0.104 0.000 0.919 333 G HN 0.488 nan 8.290 nan 0.000 0.577 334 D N 0.611 121.066 120.400 0.092 0.000 2.221 334 D HA -0.093 4.547 4.640 0.001 0.000 0.204 334 D C 2.471 178.816 176.300 0.075 0.000 0.982 334 D CA 1.570 55.625 54.000 0.092 0.000 0.857 334 D CB -0.251 40.611 40.800 0.104 0.000 0.934 334 D HN 0.717 nan 8.370 nan 0.000 0.475 335 I N -2.143 118.468 120.570 0.070 0.000 3.291 335 I HA 0.014 4.184 4.170 0.001 0.000 0.279 335 I C 0.375 176.514 176.117 0.036 0.000 1.294 335 I CA 0.043 61.377 61.300 0.057 0.000 1.428 335 I CB -0.288 37.749 38.000 0.061 0.000 1.070 335 I HN -0.187 nan 8.210 nan 0.000 0.478 336 L N 2.741 123.980 121.223 0.028 0.000 2.410 336 L HA 0.175 4.516 4.340 0.001 0.000 0.273 336 L C 0.704 177.558 176.870 -0.028 0.000 1.152 336 L CA 0.242 55.078 54.840 -0.006 0.000 0.855 336 L CB 0.600 42.644 42.059 -0.025 0.000 1.129 336 L HN 0.307 nan 8.230 nan 0.000 0.463 337 E N 2.090 122.267 120.200 -0.039 0.000 2.360 337 E HA 0.140 4.490 4.350 0.001 0.000 0.269 337 E C 0.988 177.543 176.600 -0.075 0.000 1.022 337 E CA 0.645 57.020 56.400 -0.042 0.000 0.887 337 E CB 0.666 30.343 29.700 -0.037 0.000 0.990 337 E HN 0.806 nan 8.360 nan 0.000 0.426 338 G N 3.509 112.272 108.800 -0.062 0.000 2.166 338 G HA2 -0.263 3.697 3.960 0.001 0.000 0.260 338 G HA3 -0.263 3.697 3.960 0.001 0.000 0.260 338 G C 0.347 175.173 174.900 -0.122 0.000 0.986 338 G CA 0.752 45.805 45.100 -0.079 0.000 0.683 338 G HN 0.442 nan 8.290 nan 0.000 0.527 339 K N -0.886 119.433 120.400 -0.134 0.000 2.617 339 K HA 0.841 5.161 4.320 0.001 0.000 0.298 339 K C 0.752 177.327 176.600 -0.042 0.000 0.984 339 K CA -0.460 55.717 56.287 -0.184 0.000 1.299 339 K CB -0.052 32.284 32.500 -0.274 0.000 1.608 339 K HN 0.268 nan 8.250 nan 0.000 0.730 340 L N 0.822 122.067 121.223 0.037 0.000 2.354 340 L HA 0.366 4.707 4.340 0.001 0.000 0.264 340 L C -0.360 176.564 176.870 0.090 0.000 1.008 340 L CA -0.468 54.412 54.840 0.066 0.000 0.819 340 L CB 2.091 44.206 42.059 0.093 0.000 1.339 340 L HN 0.415 nan 8.230 nan 0.000 0.420 341 E N 3.778 124.030 120.200 0.087 0.000 2.731 341 E HA 0.480 4.830 4.350 0.001 0.000 0.220 341 E C -1.314 175.351 176.600 0.108 0.000 1.087 341 E CA -0.125 56.344 56.400 0.115 0.000 1.020 341 E CB 0.639 30.431 29.700 0.152 0.000 1.339 341 E HN 0.342 nan 8.360 nan 0.000 0.444 342 L N 0.419 121.694 121.223 0.086 0.000 2.408 342 L HA 0.299 4.639 4.340 0.001 0.000 0.268 342 L C 1.320 178.228 176.870 0.064 0.000 0.986 342 L CA -0.633 54.245 54.840 0.062 0.000 0.820 342 L CB 2.040 44.116 42.059 0.029 0.000 1.303 342 L HN 0.151 nan 8.230 nan 0.000 0.411 343 T N 1.429 116.019 114.554 0.059 0.000 2.624 343 T HA -0.113 4.237 4.350 0.001 0.000 0.268 343 T C -1.057 173.663 174.700 0.033 0.000 1.041 343 T CA 1.949 64.077 62.100 0.047 0.000 1.159 343 T CB -0.662 68.231 68.868 0.043 0.000 0.863 343 T HN 0.502 nan 8.240 nan 0.000 0.434 344 P HA 0.053 nan 4.420 nan 0.000 0.221 344 P C 1.533 178.826 177.300 -0.011 0.000 1.150 344 P CA 0.394 63.497 63.100 0.004 0.000 0.800 344 P CB -0.161 31.536 31.700 -0.004 0.000 0.787 345 V N 0.635 120.549 119.914 0.000 0.000 2.244 345 V HA -0.245 3.875 4.120 0.001 0.000 0.244 345 V C 2.543 178.650 176.094 0.022 0.000 1.042 345 V CA 2.290 64.584 62.300 -0.010 0.000 1.006 345 V CB -1.721 30.140 31.823 0.063 0.000 0.641 345 V HN 0.094 nan 8.190 nan 0.000 0.446 346 A N -0.045 122.812 122.820 0.063 0.000 1.903 346 A HA -0.271 4.049 4.320 0.001 0.000 0.219 346 A C 2.175 179.782 177.584 0.038 0.000 1.191 346 A CA 2.461 54.539 52.037 0.067 0.000 0.638 346 A CB -0.711 18.328 19.000 0.065 0.000 0.823 346 A HN 0.534 nan 8.150 nan 0.000 0.451 347 I N -1.142 119.440 120.570 0.021 0.000 2.252 347 I HA -0.274 3.896 4.170 0.001 0.000 0.245 347 I C 2.784 178.901 176.117 -0.001 0.000 1.102 347 I CA 1.822 63.129 61.300 0.012 0.000 1.385 347 I CB -0.274 37.734 38.000 0.012 0.000 1.064 347 I HN 0.505 nan 8.210 nan 0.000 0.414 348 Q N 1.232 121.017 119.800 -0.025 0.000 2.046 348 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 348 Q C 2.215 178.186 176.000 -0.049 0.000 0.975 348 Q CA 2.148 57.920 55.803 -0.053 0.000 0.836 348 Q CB -0.257 28.419 28.738 -0.103 0.000 0.896 348 Q HN 0.454 nan 8.270 nan 0.000 0.428 349 A N 0.166 122.962 122.820 -0.041 0.000 1.873 349 A HA -0.138 4.182 4.320 0.001 0.000 0.218 349 A C 2.338 179.935 177.584 0.022 0.000 1.193 349 A CA 1.903 53.944 52.037 0.007 0.000 0.629 349 A CB -1.674 17.387 19.000 0.102 0.000 0.826 349 A HN 0.596 nan 8.150 nan 0.000 0.447 350 G N -0.942 107.875 108.800 0.029 0.000 2.418 350 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 350 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 350 G C 1.757 176.669 174.900 0.021 0.000 1.158 350 G CA 1.109 46.226 45.100 0.028 0.000 0.771 350 G HN 0.576 nan 8.290 nan 0.000 0.545 351 R N -0.099 120.412 120.500 0.019 0.000 2.073 351 R HA 0.084 4.425 4.340 0.001 0.000 0.234 351 R C 2.561 178.876 176.300 0.026 0.000 1.134 351 R CA 1.076 57.194 56.100 0.030 0.000 0.952 351 R CB -0.388 29.923 30.300 0.018 0.000 0.850 351 R HN 0.379 nan 8.270 nan 0.000 0.433 352 L N 0.930 122.152 121.223 -0.000 0.000 2.201 352 L HA -0.159 4.181 4.340 0.001 0.000 0.212 352 L C 2.412 179.260 176.870 -0.036 0.000 1.105 352 L CA 0.328 55.160 54.840 -0.013 0.000 0.775 352 L CB -0.324 41.718 42.059 -0.029 0.000 0.913 352 L HN 0.294 nan 8.230 nan 0.000 0.440 353 L N 0.242 121.437 121.223 -0.046 0.000 2.027 353 L HA -0.086 4.255 4.340 0.001 0.000 0.206 353 L C 2.638 179.406 176.870 -0.171 0.000 1.074 353 L CA 1.967 56.734 54.840 -0.121 0.000 0.745 353 L CB -0.654 41.332 42.059 -0.122 0.000 0.898 353 L HN 0.103 nan 8.230 nan 0.000 0.433 354 A N -1.128 121.654 122.820 -0.062 0.000 1.978 354 A HA -0.209 4.111 4.320 0.001 0.000 0.220 354 A C 2.178 179.749 177.584 -0.021 0.000 1.170 354 A CA 1.559 53.610 52.037 0.024 0.000 0.636 354 A CB -0.526 18.595 19.000 0.201 0.000 0.810 354 A HN 0.602 nan 8.150 nan 0.000 0.448 355 Q N -0.336 119.463 119.800 -0.001 0.000 2.046 355 Q HA -0.105 4.236 4.340 0.001 0.000 0.200 355 Q C 2.255 178.158 176.000 -0.162 0.000 0.975 355 Q CA 1.502 57.293 55.803 -0.020 0.000 0.836 355 Q CB -0.385 28.374 28.738 0.036 0.000 0.896 355 Q HN 0.708 nan 8.270 nan 0.000 0.428 356 R N -0.022 120.379 120.500 -0.166 0.000 2.081 356 R HA -0.040 4.300 4.340 0.001 0.000 0.235 356 R C 2.470 178.590 176.300 -0.299 0.000 1.131 356 R CA 0.923 56.910 56.100 -0.189 0.000 0.960 356 R CB -0.216 29.995 30.300 -0.148 0.000 0.856 356 R HN 0.204 nan 8.270 nan 0.000 0.436 357 L N -1.306 119.632 121.223 -0.475 0.000 2.044 357 L HA -0.139 4.201 4.340 0.001 0.000 0.205 357 L C 1.359 177.758 176.870 -0.785 0.000 1.075 357 L CA 1.290 55.677 54.840 -0.756 0.000 0.747 357 L CB -0.127 41.192 42.059 -1.234 0.000 0.903 357 L HN 0.236 nan 8.230 nan 0.000 0.435 358 Y N -1.920 118.131 120.300 -0.415 0.000 2.453 358 Y HA 0.295 4.845 4.550 0.001 0.000 0.247 358 Y C 1.921 177.189 175.900 -1.053 0.000 1.124 358 Y CA 0.023 57.743 58.100 -0.634 0.000 1.243 358 Y CB 0.101 38.181 38.460 -0.633 0.000 1.213 358 Y HN -0.041 nan 8.280 nan 0.000 0.523 359 G N -0.915 107.408 108.800 -0.796 0.000 3.192 359 G HA2 0.357 4.318 3.960 0.001 0.000 0.239 359 G HA3 0.357 4.318 3.960 0.001 0.000 0.239 359 G C 1.271 176.058 174.900 -0.188 0.000 1.084 359 G CA 0.067 44.816 45.100 -0.585 0.000 0.784 359 G HN 0.405 nan 8.290 nan 0.000 0.540 360 G N 0.242 108.931 108.800 -0.185 0.000 2.283 360 G HA2 -0.235 3.725 3.960 0.001 0.000 0.280 360 G HA3 -0.235 3.725 3.960 0.001 0.000 0.280 360 G C 0.437 175.299 174.900 -0.063 0.000 1.029 360 G CA 0.739 45.780 45.100 -0.098 0.000 0.840 360 G HN 0.938 nan 8.290 nan 0.000 0.505 361 S N -1.227 114.430 115.700 -0.072 0.000 2.632 361 S HA 0.689 5.159 4.470 0.001 0.000 0.271 361 S C 1.538 176.112 174.600 -0.043 0.000 1.260 361 S CA 0.758 58.934 58.200 -0.039 0.000 1.010 361 S CB 1.087 64.272 63.200 -0.025 0.000 0.965 361 S HN 1.051 nan 8.310 nan 0.000 0.534 362 T N 0.002 114.540 114.554 -0.027 0.000 3.040 362 T HA 0.257 4.607 4.350 0.001 0.000 0.266 362 T C 0.042 174.733 174.700 -0.016 0.000 1.005 362 T CA -0.215 61.872 62.100 -0.022 0.000 0.906 362 T CB -0.247 68.612 68.868 -0.015 0.000 1.082 362 T HN 0.317 nan 8.240 nan 0.000 0.531 363 V N 2.715 122.618 119.914 -0.018 0.000 2.450 363 V HA 0.244 4.365 4.120 0.001 0.000 0.281 363 V C 0.441 176.525 176.094 -0.017 0.000 1.019 363 V CA -0.299 61.991 62.300 -0.016 0.000 1.062 363 V CB -0.042 31.770 31.823 -0.018 0.000 0.979 363 V HN 0.377 nan 8.190 nan 0.000 0.477 364 K N 2.980 123.375 120.400 -0.009 0.000 2.098 364 K HA 0.422 4.743 4.320 0.001 0.000 0.244 364 K C -0.091 176.494 176.600 -0.025 0.000 1.014 364 K CA -0.487 55.802 56.287 0.003 0.000 0.917 364 K CB 1.077 33.595 32.500 0.030 0.000 1.072 364 K HN 0.764 nan 8.250 nan 0.000 0.477 365 C N 1.931 121.211 119.300 -0.033 0.000 2.394 365 C HA 0.191 4.651 4.460 0.001 0.000 0.362 365 C C -0.387 174.461 174.990 -0.238 0.000 1.268 365 C CA -0.505 58.405 59.018 -0.181 0.000 1.828 365 C CB -0.513 27.067 27.740 -0.268 0.000 2.442 365 C HN 0.650 nan 8.230 nan 0.000 0.549 366 D N 3.884 124.138 120.400 -0.244 0.000 2.347 366 D HA 0.222 4.862 4.640 0.001 0.000 0.235 366 D C -0.158 176.021 176.300 -0.202 0.000 1.149 366 D CA -0.074 53.849 54.000 -0.130 0.000 0.850 366 D CB 0.417 41.173 40.800 -0.073 0.000 1.061 366 D HN 0.711 nan 8.370 nan 0.000 0.487 367 Y N 1.229 121.525 120.300 -0.007 0.000 2.468 367 Y HA 0.153 4.704 4.550 0.000 0.000 0.268 367 Y C 0.260 176.152 175.900 -0.014 0.000 1.177 367 Y CA -0.505 57.589 58.100 -0.010 0.000 1.265 367 Y CB 0.462 38.918 38.460 -0.006 0.000 1.103 367 Y HN 0.209 nan 8.280 nan 0.000 0.522 368 D N 0.692 121.153 120.400 0.101 0.000 2.302 368 D HA 0.072 4.712 4.640 0.001 0.000 0.248 368 D C 0.089 176.402 176.300 0.023 0.000 1.094 368 D CA 0.012 54.047 54.000 0.060 0.000 0.897 368 D CB 0.349 41.179 40.800 0.049 0.000 1.200 368 D HN 0.106 nan 8.370 nan 0.000 0.429 369 N N 0.318 119.029 118.700 0.017 0.000 2.705 369 N HA -0.160 4.580 4.740 0.001 0.000 0.255 369 N C -0.870 174.622 175.510 -0.031 0.000 1.008 369 N CA 0.294 53.340 53.050 -0.008 0.000 0.742 369 N CB -1.132 37.348 38.487 -0.012 0.000 0.906 369 N HN 0.130 nan 8.380 nan 0.000 0.541 370 V N 1.884 121.784 119.914 -0.023 0.000 2.432 370 V HA 0.254 4.374 4.120 0.001 0.000 0.271 370 V C -1.282 174.780 176.094 -0.053 0.000 1.046 370 V CA -1.074 61.204 62.300 -0.037 0.000 0.945 370 V CB 1.260 33.075 31.823 -0.013 0.000 0.992 370 V HN 0.144 nan 8.190 nan 0.000 0.471 371 P HA 0.268 nan 4.420 nan 0.000 0.271 371 P C -0.330 176.924 177.300 -0.076 0.000 1.218 371 P CA 0.087 63.136 63.100 -0.084 0.000 0.780 371 P CB 1.088 32.729 31.700 -0.098 0.000 0.901 372 T N -1.120 113.379 114.554 -0.092 0.000 2.901 372 T HA 0.664 5.014 4.350 0.001 0.000 0.293 372 T C -0.885 173.712 174.700 -0.171 0.000 1.084 372 T CA -0.532 61.510 62.100 -0.097 0.000 1.008 372 T CB 1.462 70.296 68.868 -0.056 0.000 1.170 372 T HN 0.295 nan 8.240 nan 0.000 0.509 373 T N 1.433 115.847 114.554 -0.234 0.000 2.971 373 T HA 0.534 4.884 4.350 0.001 0.000 0.304 373 T C -0.918 173.456 174.700 -0.544 0.000 1.038 373 T CA -0.572 61.261 62.100 -0.446 0.000 1.007 373 T CB 1.571 70.091 68.868 -0.581 0.000 1.055 373 T HN 0.689 nan 8.240 nan 0.000 0.451 374 V N 3.905 123.546 119.914 -0.456 0.000 2.364 374 V HA 0.345 4.465 4.120 0.001 0.000 0.272 374 V C -0.299 175.587 176.094 -0.347 0.000 1.036 374 V CA -0.527 61.607 62.300 -0.276 0.000 0.880 374 V CB 0.366 32.114 31.823 -0.125 0.000 0.991 374 V HN 0.900 nan 8.190 nan 0.000 0.460 375 F N 3.148 123.077 119.950 -0.036 0.000 2.913 375 F HA 0.152 4.679 4.527 0.001 0.000 0.306 375 F C 1.650 177.322 175.800 -0.214 0.000 1.205 375 F CA -0.504 57.345 58.000 -0.252 0.000 1.359 375 F CB -0.541 38.185 39.000 -0.458 0.000 1.260 375 F HN 0.557 nan 8.300 nan 0.000 0.545 376 T N -2.292 112.308 114.554 0.077 0.000 2.748 376 T HA 0.052 4.402 4.350 0.001 0.000 0.304 376 T C -1.485 173.357 174.700 0.237 0.000 1.041 376 T CA -1.365 60.830 62.100 0.159 0.000 1.033 376 T CB 0.653 69.604 68.868 0.138 0.000 0.995 376 T HN -0.034 nan 8.240 nan 0.000 0.536 377 P HA -0.022 nan 4.420 nan 0.000 0.215 377 P C 0.423 177.872 177.300 0.248 0.000 1.157 377 P CA 0.578 63.877 63.100 0.332 0.000 0.874 377 P CB -0.051 31.830 31.700 0.302 0.000 0.790 378 L N 0.490 121.741 121.223 0.047 0.000 2.261 378 L HA 0.180 4.520 4.340 0.001 0.000 0.289 378 L C 0.171 177.096 176.870 0.091 0.000 1.059 378 L CA -0.415 54.392 54.840 -0.055 0.000 0.816 378 L CB -0.119 41.622 42.059 -0.530 0.000 1.191 378 L HN -0.095 nan 8.230 nan 0.000 0.431 379 E N 3.553 123.862 120.200 0.181 0.000 2.404 379 E HA 0.071 4.422 4.350 0.001 0.000 0.261 379 E C -1.456 175.251 176.600 0.178 0.000 1.074 379 E CA 0.087 56.569 56.400 0.136 0.000 0.917 379 E CB 0.755 30.546 29.700 0.150 0.000 0.965 379 E HN 0.490 nan 8.360 nan 0.000 0.433 380 Y N 0.545 120.809 120.300 -0.060 0.000 2.346 380 Y HA 0.507 5.057 4.550 0.001 0.000 0.332 380 Y C -0.531 175.353 175.900 -0.025 0.000 0.985 380 Y CA -1.070 57.029 58.100 -0.003 0.000 1.112 380 Y CB 1.450 39.899 38.460 -0.018 0.000 1.170 380 Y HN 0.481 nan 8.280 nan 0.000 0.447 381 G N 3.790 112.502 108.800 -0.146 0.000 2.461 381 G HA2 0.645 4.605 3.960 0.001 0.000 0.323 381 G HA3 0.645 4.605 3.960 0.001 0.000 0.323 381 G C -1.188 173.545 174.900 -0.279 0.000 1.229 381 G CA -0.382 44.575 45.100 -0.237 0.000 0.941 381 G HN 1.187 nan 8.290 nan 0.000 0.477 382 C N -0.968 118.163 119.300 -0.281 0.000 3.321 382 C HA 0.890 5.350 4.460 0.001 0.000 0.329 382 C C -0.740 174.189 174.990 -0.103 0.000 1.394 382 C CA -1.348 57.569 59.018 -0.168 0.000 1.291 382 C CB 1.294 28.883 27.740 -0.253 0.000 1.606 382 C HN 1.265 nan 8.230 nan 0.000 0.463 383 C N 1.262 120.497 119.300 -0.108 0.000 3.199 383 C HA 0.799 5.259 4.460 0.001 0.000 0.392 383 C C 0.570 175.524 174.990 -0.061 0.000 1.050 383 C CA 1.929 60.898 59.018 -0.081 0.000 1.222 383 C CB 0.757 28.428 27.740 -0.115 0.000 1.595 383 C HN 3.160 nan 8.230 nan 0.000 0.560 384 G N 4.051 112.836 108.800 -0.025 0.000 2.527 384 G HA2 -0.099 3.861 3.960 0.001 0.000 0.227 384 G HA3 -0.099 3.861 3.960 0.001 0.000 0.227 384 G C -0.907 174.035 174.900 0.069 0.000 1.291 384 G CA -0.146 44.972 45.100 0.031 0.000 0.904 384 G HN 1.178 nan 8.290 nan 0.000 0.577 385 L N 1.327 122.633 121.223 0.137 0.000 2.375 385 L HA 0.526 4.867 4.340 0.001 0.000 0.271 385 L C 1.574 178.625 176.870 0.302 0.000 1.107 385 L CA -0.080 54.866 54.840 0.177 0.000 0.806 385 L CB 1.465 43.636 42.059 0.186 0.000 1.146 385 L HN 0.980 nan 8.230 nan 0.000 0.447 386 S N 0.232 116.094 115.700 0.269 0.000 2.600 386 S HA 0.023 4.494 4.470 0.001 0.000 0.265 386 S C 0.887 175.586 174.600 0.164 0.000 1.325 386 S CA -0.427 57.932 58.200 0.265 0.000 1.002 386 S CB 1.193 64.499 63.200 0.175 0.000 0.921 386 S HN 0.777 nan 8.310 nan 0.000 0.554 387 E N 1.178 121.417 120.200 0.064 0.000 2.058 387 E HA -0.249 4.101 4.350 0.001 0.000 0.194 387 E C 2.052 178.686 176.600 0.058 0.000 0.997 387 E CA 1.669 58.102 56.400 0.053 0.000 0.801 387 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 387 E HN 0.856 nan 8.360 nan 0.000 0.450 388 E N 0.588 120.814 120.200 0.042 0.000 2.085 388 E HA -0.239 4.112 4.350 0.001 0.000 0.194 388 E C 1.898 178.524 176.600 0.044 0.000 0.994 388 E CA 0.962 57.383 56.400 0.037 0.000 0.801 388 E CB -0.308 29.409 29.700 0.029 0.000 0.743 388 E HN 0.068 nan 8.360 nan 0.000 0.453 389 K N 0.983 121.417 120.400 0.056 0.000 2.148 389 K HA 0.066 4.386 4.320 0.001 0.000 0.204 389 K C 2.128 178.757 176.600 0.050 0.000 1.050 389 K CA 1.300 57.612 56.287 0.042 0.000 0.942 389 K CB -0.645 31.883 32.500 0.047 0.000 0.724 389 K HN 0.289 nan 8.250 nan 0.000 0.446 390 A N 0.567 123.457 122.820 0.116 0.000 1.929 390 A HA -0.079 4.241 4.320 0.001 0.000 0.216 390 A C 2.439 180.137 177.584 0.191 0.000 1.176 390 A CA 1.259 53.424 52.037 0.214 0.000 0.628 390 A CB -0.459 18.693 19.000 0.253 0.000 0.816 390 A HN 0.044 nan 8.150 nan 0.000 0.444 391 V N -0.075 119.905 119.914 0.111 0.000 2.307 391 V HA -0.249 3.872 4.120 0.001 0.000 0.245 391 V C 2.497 178.617 176.094 0.044 0.000 1.045 391 V CA 2.211 64.559 62.300 0.081 0.000 1.024 391 V CB -0.669 31.184 31.823 0.049 0.000 0.651 391 V HN 0.692 nan 8.190 nan 0.000 0.449 392 E N 0.072 120.280 120.200 0.013 0.000 2.085 392 E HA -0.303 4.047 4.350 0.001 0.000 0.194 392 E C 2.309 178.863 176.600 -0.077 0.000 0.994 392 E CA 1.807 58.193 56.400 -0.023 0.000 0.801 392 E CB -0.031 29.654 29.700 -0.026 0.000 0.743 392 E HN 0.556 nan 8.360 nan 0.000 0.453 393 K N -0.894 119.416 120.400 -0.151 0.000 2.116 393 K HA -0.066 4.255 4.320 0.001 0.000 0.203 393 K C 1.359 177.675 176.600 -0.473 0.000 1.052 393 K CA 1.093 57.148 56.287 -0.387 0.000 0.952 393 K CB 0.075 32.205 32.500 -0.616 0.000 0.729 393 K HN 0.075 nan 8.250 nan 0.000 0.446 394 F N -0.118 119.843 119.950 0.019 0.000 2.706 394 F HA 0.324 4.851 4.527 0.001 0.000 0.308 394 F C 0.362 176.171 175.800 0.014 0.000 1.095 394 F CA 0.072 58.083 58.000 0.018 0.000 1.244 394 F CB 1.656 40.670 39.000 0.023 0.000 1.063 394 F HN 0.152 nan 8.300 nan 0.000 0.582 395 G N 1.556 110.446 108.800 0.150 0.000 3.039 395 G HA2 -0.190 3.771 3.960 0.001 0.000 0.686 395 G HA3 -0.190 3.771 3.960 0.001 0.000 0.686 395 G C 0.390 175.343 174.900 0.088 0.000 1.066 395 G CA -0.268 44.889 45.100 0.095 0.000 0.774 395 G HN 0.120 nan 8.290 nan 0.000 0.591 396 E N 0.666 120.898 120.200 0.054 0.000 2.113 396 E HA -0.259 4.091 4.350 0.001 0.000 0.210 396 E C 2.128 178.745 176.600 0.029 0.000 1.040 396 E CA 1.978 58.400 56.400 0.037 0.000 0.847 396 E CB 0.054 29.766 29.700 0.020 0.000 0.755 396 E HN 0.820 nan 8.360 nan 0.000 0.459 397 E N -0.103 120.113 120.200 0.026 0.000 2.502 397 E HA -0.098 4.252 4.350 0.001 0.000 0.194 397 E C 0.559 177.170 176.600 0.018 0.000 1.062 397 E CA 0.318 56.726 56.400 0.014 0.000 0.867 397 E CB -0.070 29.635 29.700 0.009 0.000 0.888 397 E HN 0.125 nan 8.360 nan 0.000 0.510 398 N N 0.515 119.238 118.700 0.038 0.000 2.280 398 N HA 0.121 4.861 4.740 0.001 0.000 0.192 398 N C -0.274 175.248 175.510 0.020 0.000 1.109 398 N CA 0.007 53.078 53.050 0.034 0.000 0.855 398 N CB 0.618 39.145 38.487 0.068 0.000 0.974 398 N HN 0.161 nan 8.380 nan 0.000 0.482 399 I N 0.865 121.453 120.570 0.030 0.000 2.412 399 I HA 0.287 4.457 4.170 0.001 0.000 0.296 399 I C 0.067 176.177 176.117 -0.011 0.000 0.987 399 I CA -0.926 60.389 61.300 0.025 0.000 1.180 399 I CB 1.625 39.661 38.000 0.060 0.000 1.340 399 I HN -0.110 nan 8.210 nan 0.000 0.455 400 E N 4.697 124.891 120.200 -0.011 0.000 2.199 400 E HA 0.570 4.920 4.350 0.001 0.000 0.265 400 E C -1.587 174.973 176.600 -0.067 0.000 0.882 400 E CA -0.446 55.905 56.400 -0.082 0.000 0.759 400 E CB 1.774 31.436 29.700 -0.063 0.000 1.148 400 E HN 0.272 nan 8.360 nan 0.000 0.412 401 V N 5.506 125.312 119.914 -0.179 0.000 2.357 401 V HA 0.365 4.485 4.120 0.001 0.000 0.284 401 V C -0.990 174.954 176.094 -0.250 0.000 1.018 401 V CA -0.689 61.536 62.300 -0.125 0.000 0.841 401 V CB 0.524 32.252 31.823 -0.158 0.000 0.991 401 V HN 0.625 nan 8.190 nan 0.000 0.437 402 Y N 4.834 125.091 120.300 -0.073 0.000 2.342 402 Y HA 0.660 5.210 4.550 0.001 0.000 0.334 402 Y C 0.622 176.507 175.900 -0.025 0.000 1.067 402 Y CA -0.444 57.631 58.100 -0.041 0.000 1.128 402 Y CB 1.140 39.590 38.460 -0.016 0.000 1.200 402 Y HN 0.841 nan 8.280 nan 0.000 0.464 403 H N -1.121 117.924 119.070 -0.042 0.000 2.966 403 H HA 0.865 5.421 4.556 0.001 0.000 0.330 403 H C -1.440 173.743 175.328 -0.243 0.000 1.292 403 H CA -1.259 54.642 56.048 -0.244 0.000 1.127 403 H CB 2.228 31.839 29.762 -0.252 0.000 1.863 403 H HN 0.515 nan 8.280 nan 0.000 0.543 404 S N 0.523 115.943 115.700 -0.466 0.000 2.580 404 S HA 0.346 4.817 4.470 0.001 0.000 0.281 404 S C -1.904 172.514 174.600 -0.304 0.000 1.129 404 S CA -0.811 57.186 58.200 -0.337 0.000 0.862 404 S CB 0.820 63.922 63.200 -0.162 0.000 1.090 404 S HN 0.481 nan 8.310 nan 0.000 0.451 405 F N 3.536 123.497 119.950 0.019 0.000 2.370 405 F HA 0.730 5.257 4.527 0.001 0.000 0.324 405 F C 0.324 176.219 175.800 0.158 0.000 1.116 405 F CA -0.259 57.789 58.000 0.079 0.000 1.123 405 F CB 1.091 40.101 39.000 0.015 0.000 1.238 405 F HN 0.614 nan 8.300 nan 0.000 0.536 406 F N -0.336 119.741 119.950 0.211 0.000 2.685 406 F HA 0.588 5.116 4.527 0.001 0.000 0.315 406 F C -2.011 173.924 175.800 0.224 0.000 1.126 406 F CA -1.730 56.358 58.000 0.146 0.000 0.950 406 F CB 1.085 40.100 39.000 0.025 0.000 1.360 406 F HN 0.368 nan 8.300 nan 0.000 0.469 407 W N 3.828 125.171 121.300 0.071 0.000 2.543 407 W HA 0.646 5.306 4.660 0.001 0.000 0.318 407 W C -2.975 173.508 176.519 -0.059 0.000 1.002 407 W CA -3.342 53.973 57.345 -0.051 0.000 1.302 407 W CB 1.121 30.605 29.460 0.041 0.000 1.299 407 W HN 0.331 nan 8.180 nan 0.000 0.424 408 P HA -0.118 nan 4.420 nan 0.000 0.262 408 P C 1.074 178.120 177.300 -0.423 0.000 1.182 408 P CA 0.077 62.920 63.100 -0.428 0.000 0.761 408 P CB 0.682 31.703 31.700 -1.133 0.000 0.795 409 L N 4.536 125.613 121.223 -0.243 0.000 2.043 409 L HA -0.237 4.103 4.340 0.001 0.000 0.212 409 L C 1.677 178.460 176.870 -0.146 0.000 1.075 409 L CA 2.051 56.758 54.840 -0.222 0.000 0.752 409 L CB -0.994 40.988 42.059 -0.128 0.000 0.891 409 L HN 0.295 nan 8.230 nan 0.000 0.432 410 E N -1.276 118.897 120.200 -0.044 0.000 2.267 410 E HA -0.230 4.121 4.350 0.001 0.000 0.197 410 E C 1.515 178.363 176.600 0.412 0.000 0.998 410 E CA 1.341 57.859 56.400 0.197 0.000 0.830 410 E CB -0.334 29.496 29.700 0.218 0.000 0.751 410 E HN 0.606 nan 8.360 nan 0.000 0.491 411 W N 0.002 121.250 121.300 -0.086 0.000 3.290 411 W HA 0.170 4.830 4.660 0.000 0.000 0.287 411 W C 1.805 178.210 176.519 -0.189 0.000 1.288 411 W CA 0.795 58.118 57.345 -0.038 0.000 1.725 411 W CB -0.940 28.584 29.460 0.108 0.000 1.103 411 W HN 0.130 nan 8.180 nan 0.000 0.670 412 T N -3.271 111.100 114.554 -0.305 0.000 2.896 412 T HA -0.096 4.254 4.350 0.001 0.000 0.263 412 T C 1.837 176.439 174.700 -0.163 0.000 1.050 412 T CA 1.267 63.036 62.100 -0.552 0.000 1.140 412 T CB -0.689 67.739 68.868 -0.734 0.000 0.877 412 T HN -0.108 nan 8.240 nan 0.000 0.457 413 V N 2.768 122.584 119.914 -0.163 0.000 2.323 413 V HA 0.027 4.147 4.120 0.001 0.000 0.244 413 V C -0.362 175.614 176.094 -0.197 0.000 1.041 413 V CA 1.292 63.424 62.300 -0.279 0.000 1.025 413 V CB -1.129 30.273 31.823 -0.702 0.000 0.656 413 V HN 0.377 nan 8.190 nan 0.000 0.451 414 P HA -0.077 nan 4.420 nan 0.000 0.222 414 P C 0.717 178.061 177.300 0.074 0.000 1.147 414 P CA 1.384 64.499 63.100 0.025 0.000 0.790 414 P CB -0.038 31.729 31.700 0.112 0.000 0.780 415 S N -0.949 114.833 115.700 0.138 0.000 3.968 415 S HA -0.146 4.324 4.470 0.001 0.000 0.373 415 S C -0.020 174.755 174.600 0.292 0.000 0.974 415 S CA 0.310 58.657 58.200 0.244 0.000 1.124 415 S CB -1.720 61.567 63.200 0.144 0.000 0.862 415 S HN 0.473 nan 8.310 nan 0.000 0.492 416 R N 0.117 120.856 120.500 0.398 0.000 2.740 416 R HA 0.713 5.053 4.340 0.001 0.000 0.273 416 R C -0.677 175.877 176.300 0.423 0.000 0.998 416 R CA -0.462 55.801 56.100 0.272 0.000 0.900 416 R CB 0.573 30.927 30.300 0.090 0.000 1.223 416 R HN 0.047 nan 8.270 nan 0.000 0.466 417 D N 0.378 120.909 120.400 0.220 0.000 2.699 417 D HA -0.175 4.465 4.640 0.001 0.000 0.239 417 D C -0.778 175.632 176.300 0.182 0.000 1.136 417 D CA 0.913 55.055 54.000 0.236 0.000 0.668 417 D CB -0.704 40.240 40.800 0.240 0.000 1.060 417 D HN 0.621 nan 8.370 nan 0.000 0.429 418 N N 1.399 119.894 118.700 -0.341 0.000 2.479 418 N HA -0.002 4.738 4.740 0.001 0.000 0.257 418 N C 0.710 175.915 175.510 -0.508 0.000 1.232 418 N CA 0.281 52.723 53.050 -1.013 0.000 0.920 418 N CB 0.314 37.937 38.487 -1.440 0.000 1.105 418 N HN 0.097 nan 8.380 nan 0.000 0.444 419 N N 0.823 119.248 118.700 -0.457 0.000 2.725 419 N HA -0.190 4.550 4.740 0.001 0.000 0.249 419 N C -0.090 175.147 175.510 -0.455 0.000 1.103 419 N CA 0.559 53.303 53.050 -0.509 0.000 0.707 419 N CB -0.322 37.745 38.487 -0.700 0.000 1.043 419 N HN 0.659 nan 8.380 nan 0.000 0.553 420 K N -0.627 119.713 120.400 -0.101 0.000 2.262 420 K HA 0.185 4.505 4.320 0.001 0.000 0.200 420 K C 0.926 177.616 176.600 0.150 0.000 1.058 420 K CA 0.346 56.681 56.287 0.079 0.000 0.974 420 K CB 0.015 32.666 32.500 0.252 0.000 0.910 420 K HN 0.215 nan 8.250 nan 0.000 0.484 421 C N 2.189 121.461 119.300 -0.047 0.000 2.662 421 C HA 0.268 4.728 4.460 0.001 0.000 0.420 421 C C 0.181 175.035 174.990 -0.227 0.000 1.314 421 C CA -0.388 58.396 59.018 -0.390 0.000 1.963 421 C CB -1.274 25.680 27.740 -1.309 0.000 2.686 421 C HN 0.406 nan 8.230 nan 0.000 0.609 422 Y N 0.945 121.180 120.300 -0.109 0.000 2.482 422 Y HA 0.602 5.152 4.550 0.001 0.000 0.334 422 Y C -0.576 175.416 175.900 0.154 0.000 1.091 422 Y CA -0.486 57.611 58.100 -0.005 0.000 1.027 422 Y CB 0.961 39.336 38.460 -0.142 0.000 1.306 422 Y HN 0.862 nan 8.280 nan 0.000 0.446 423 A N 5.443 127.886 122.820 -0.627 0.000 2.414 423 A HA 0.852 5.172 4.320 0.001 0.000 0.306 423 A C -1.679 175.394 177.584 -0.853 0.000 1.054 423 A CA -0.857 50.785 52.037 -0.659 0.000 0.724 423 A CB 1.366 19.744 19.000 -1.037 0.000 1.267 423 A HN 0.733 nan 8.150 nan 0.000 0.418 424 K N -0.036 120.109 120.400 -0.425 0.000 2.523 424 K HA 0.746 5.066 4.320 0.001 0.000 0.257 424 K C -1.034 175.590 176.600 0.040 0.000 0.932 424 K CA -0.763 55.415 56.287 -0.181 0.000 0.812 424 K CB 2.046 34.493 32.500 -0.089 0.000 1.326 424 K HN 1.015 nan 8.250 nan 0.000 0.433 425 V N -0.176 119.798 119.914 0.100 0.000 2.628 425 V HA 0.677 4.797 4.120 0.001 0.000 0.306 425 V C -0.591 175.615 176.094 0.187 0.000 1.045 425 V CA -0.885 61.510 62.300 0.158 0.000 0.905 425 V CB 1.212 33.128 31.823 0.155 0.000 0.997 425 V HN 0.833 nan 8.190 nan 0.000 0.436 426 I N 3.519 124.202 120.570 0.189 0.000 2.362 426 I HA 0.543 4.713 4.170 0.001 0.000 0.289 426 I C -0.358 175.838 176.117 0.132 0.000 0.994 426 I CA -0.038 61.360 61.300 0.163 0.000 1.158 426 I CB 1.452 39.563 38.000 0.184 0.000 1.315 426 I HN 0.697 nan 8.210 nan 0.000 0.451 427 C N 4.428 123.801 119.300 0.121 0.000 2.435 427 C HA 0.344 4.805 4.460 0.001 0.000 0.333 427 C C 0.366 175.345 174.990 -0.017 0.000 1.202 427 C CA -0.876 58.182 59.018 0.067 0.000 1.830 427 C CB 1.210 29.035 27.740 0.142 0.000 2.326 427 C HN 0.749 nan 8.230 nan 0.000 0.507 428 N N 1.738 120.364 118.700 -0.123 0.000 2.462 428 N HA 0.277 5.017 4.740 0.001 0.000 0.242 428 N C 0.719 176.144 175.510 -0.141 0.000 1.010 428 N CA -0.517 52.381 53.050 -0.253 0.000 0.939 428 N CB 0.520 38.666 38.487 -0.567 0.000 1.127 428 N HN 0.652 nan 8.380 nan 0.000 0.509 429 L N 2.981 124.158 121.223 -0.077 0.000 2.265 429 L HA -0.097 4.243 4.340 0.001 0.000 0.215 429 L C 1.964 178.808 176.870 -0.042 0.000 1.117 429 L CA 0.797 55.617 54.840 -0.034 0.000 0.782 429 L CB -0.152 41.901 42.059 -0.010 0.000 0.914 429 L HN 0.529 nan 8.230 nan 0.000 0.441 430 K N -0.536 119.823 120.400 -0.068 0.000 2.487 430 K HA -0.012 4.309 4.320 0.001 0.000 0.192 430 K C 0.076 176.642 176.600 -0.057 0.000 1.027 430 K CA 0.509 56.770 56.287 -0.045 0.000 1.054 430 K CB 0.003 32.492 32.500 -0.019 0.000 0.824 430 K HN 0.117 nan 8.250 nan 0.000 0.510 431 D N 0.679 121.028 120.400 -0.086 0.000 2.992 431 D HA 0.089 4.729 4.640 0.001 0.000 0.372 431 D C -0.739 175.527 176.300 -0.057 0.000 1.374 431 D CA -0.205 53.749 54.000 -0.077 0.000 0.769 431 D CB -0.366 40.357 40.800 -0.129 0.000 1.215 431 D HN -0.034 nan 8.370 nan 0.000 0.473 432 N N 1.818 120.496 118.700 -0.036 0.000 2.708 432 N HA -0.239 4.502 4.740 0.001 0.000 0.249 432 N C -0.684 174.812 175.510 -0.023 0.000 1.097 432 N CA 1.183 54.219 53.050 -0.022 0.000 0.710 432 N CB -1.003 37.473 38.487 -0.019 0.000 1.032 432 N HN 0.637 nan 8.380 nan 0.000 0.551 433 E N -2.117 118.067 120.200 -0.027 0.000 2.389 433 E HA -0.279 4.071 4.350 0.001 0.000 0.243 433 E C 0.159 176.743 176.600 -0.027 0.000 1.154 433 E CA 0.592 56.985 56.400 -0.012 0.000 0.723 433 E CB -0.735 28.982 29.700 0.028 0.000 1.261 433 E HN 0.408 nan 8.360 nan 0.000 0.390 434 R N 0.415 120.880 120.500 -0.058 0.000 2.537 434 R HA 0.055 4.395 4.340 0.001 0.000 0.281 434 R C -0.339 175.942 176.300 -0.032 0.000 0.988 434 R CA 0.246 56.315 56.100 -0.052 0.000 1.077 434 R CB 0.605 30.856 30.300 -0.082 0.000 0.932 434 R HN 0.046 nan 8.270 nan 0.000 0.409 435 V N 7.128 127.044 119.914 0.004 0.000 2.439 435 V HA 0.024 4.144 4.120 0.001 0.000 0.271 435 V C 1.031 177.153 176.094 0.047 0.000 1.040 435 V CA 0.349 62.675 62.300 0.042 0.000 1.002 435 V CB 0.965 32.830 31.823 0.070 0.000 1.000 435 V HN 0.809 nan 8.190 nan 0.000 0.477 436 V N 1.994 121.948 119.914 0.066 0.000 3.528 436 V HA 0.677 4.798 4.120 0.001 0.000 0.294 436 V C 0.666 176.844 176.094 0.140 0.000 1.404 436 V CA 0.595 62.954 62.300 0.099 0.000 1.065 436 V CB 0.294 32.190 31.823 0.122 0.000 0.904 436 V HN 0.813 nan 8.190 nan 0.000 0.435 437 G N -0.000 108.893 108.800 0.155 0.000 2.753 437 G HA2 0.614 4.574 3.960 0.001 0.000 0.297 437 G HA3 0.614 4.574 3.960 0.001 0.000 0.297 437 G C -1.988 173.024 174.900 0.186 0.000 1.430 437 G CA -0.592 44.615 45.100 0.178 0.000 1.040 437 G HN 0.320 nan 8.290 nan 0.000 0.530 438 F N 2.057 121.877 119.950 -0.216 0.000 2.557 438 F HA 0.729 5.256 4.527 0.001 0.000 0.316 438 F C -1.298 174.257 175.800 -0.409 0.000 1.141 438 F CA -0.741 57.127 58.000 -0.220 0.000 0.922 438 F CB 1.877 40.699 39.000 -0.297 0.000 1.194 438 F HN 0.558 nan 8.300 nan 0.000 0.443 439 H N 4.207 123.046 119.070 -0.384 0.000 2.856 439 H HA 0.686 5.242 4.556 0.001 0.000 0.355 439 H C -1.471 173.839 175.328 -0.029 0.000 1.079 439 H CA -0.912 55.127 56.048 -0.015 0.000 1.240 439 H CB 2.255 32.160 29.762 0.239 0.000 1.701 439 H HN 0.571 nan 8.280 nan 0.000 0.527 440 V N 4.258 124.351 119.914 0.298 0.000 2.686 440 V HA 0.484 4.604 4.120 0.001 0.000 0.306 440 V C -1.696 174.679 176.094 0.467 0.000 1.065 440 V CA -0.752 61.755 62.300 0.345 0.000 0.894 440 V CB 1.895 33.931 31.823 0.355 0.000 1.004 440 V HN 0.596 nan 8.190 nan 0.000 0.424 441 L N 6.884 128.356 121.223 0.416 0.000 2.345 441 L HA 1.022 5.363 4.340 0.001 0.000 0.274 441 L C 0.085 177.131 176.870 0.292 0.000 0.999 441 L CA 1.079 56.119 54.840 0.333 0.000 0.849 441 L CB 0.961 43.164 42.059 0.240 0.000 1.220 441 L HN 1.024 nan 8.230 nan 0.000 0.422 442 G N 4.067 113.043 108.800 0.294 0.000 2.340 442 G HA2 0.349 4.309 3.960 0.001 0.000 0.299 442 G HA3 0.349 4.309 3.960 0.001 0.000 0.299 442 G C -3.370 171.702 174.900 0.286 0.000 1.291 442 G CA -0.684 44.576 45.100 0.267 0.000 0.841 442 G HN 0.281 nan 8.290 nan 0.000 0.500 443 P HA 0.169 nan 4.420 nan 0.000 0.271 443 P C -0.262 177.188 177.300 0.251 0.000 1.218 443 P CA 0.108 63.387 63.100 0.299 0.000 0.780 443 P CB 0.366 32.236 31.700 0.282 0.000 0.901 444 N N 0.145 118.999 118.700 0.257 0.000 2.721 444 N HA -0.243 4.498 4.740 0.001 0.000 0.249 444 N C 1.132 176.764 175.510 0.203 0.000 1.072 444 N CA 0.978 54.162 53.050 0.223 0.000 0.710 444 N CB -1.792 36.799 38.487 0.173 0.000 0.993 444 N HN 0.597 nan 8.380 nan 0.000 0.547 445 A N 0.230 123.170 122.820 0.201 0.000 1.917 445 A HA -0.069 4.252 4.320 0.001 0.000 0.219 445 A C 2.331 179.988 177.584 0.121 0.000 1.182 445 A CA 2.335 54.476 52.037 0.174 0.000 0.633 445 A CB -0.928 18.152 19.000 0.133 0.000 0.819 445 A HN 0.559 nan 8.150 nan 0.000 0.448 446 G N -0.233 108.616 108.800 0.082 0.000 2.459 446 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 446 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 446 G C 1.328 176.283 174.900 0.092 0.000 1.183 446 G CA 1.002 46.145 45.100 0.071 0.000 0.776 446 G HN 0.544 nan 8.290 nan 0.000 0.552 447 E N 0.531 120.802 120.200 0.118 0.000 2.130 447 E HA -0.122 4.228 4.350 0.001 0.000 0.196 447 E C 2.813 179.464 176.600 0.086 0.000 0.998 447 E CA 1.083 57.535 56.400 0.088 0.000 0.806 447 E CB -0.705 29.051 29.700 0.092 0.000 0.738 447 E HN 0.365 nan 8.360 nan 0.000 0.459 448 V N 1.453 121.453 119.914 0.143 0.000 2.307 448 V HA -0.197 3.923 4.120 0.001 0.000 0.245 448 V C 2.397 178.616 176.094 0.208 0.000 1.045 448 V CA 2.130 64.560 62.300 0.215 0.000 1.024 448 V CB -0.886 31.119 31.823 0.304 0.000 0.651 448 V HN 0.272 nan 8.190 nan 0.000 0.449 449 T N -0.678 113.962 114.554 0.144 0.000 2.821 449 T HA -0.250 4.100 4.350 0.001 0.000 0.267 449 T C 1.901 176.518 174.700 -0.139 0.000 1.046 449 T CA 1.676 63.775 62.100 -0.002 0.000 1.139 449 T CB -0.251 68.645 68.868 0.048 0.000 0.871 449 T HN 0.414 nan 8.240 nan 0.000 0.454 450 Q N 1.408 121.162 119.800 -0.076 0.000 2.062 450 Q HA -0.102 4.239 4.340 0.001 0.000 0.209 450 Q C 2.443 178.339 176.000 -0.173 0.000 0.996 450 Q CA 2.352 58.092 55.803 -0.106 0.000 0.859 450 Q CB -1.135 27.565 28.738 -0.064 0.000 0.920 450 Q HN 0.511 nan 8.270 nan 0.000 0.415 451 G N -1.210 107.466 108.800 -0.206 0.000 2.440 451 G HA2 -0.242 3.718 3.960 0.001 0.000 0.218 451 G HA3 -0.242 3.718 3.960 0.001 0.000 0.218 451 G C 1.094 175.719 174.900 -0.459 0.000 1.154 451 G CA 0.852 45.755 45.100 -0.329 0.000 0.767 451 G HN 0.406 nan 8.290 nan 0.000 0.552 452 F N 1.639 121.302 119.950 -0.479 0.000 2.234 452 F HA 0.133 4.660 4.527 0.001 0.000 0.299 452 F C 2.982 178.449 175.800 -0.555 0.000 1.087 452 F CA 0.725 58.320 58.000 -0.674 0.000 1.340 452 F CB -0.250 37.897 39.000 -1.421 0.000 1.031 452 F HN 0.231 nan 8.300 nan 0.000 0.500 453 A N 0.111 122.733 122.820 -0.330 0.000 1.940 453 A HA -0.119 4.201 4.320 0.001 0.000 0.219 453 A C 2.428 179.908 177.584 -0.173 0.000 1.176 453 A CA 1.728 53.626 52.037 -0.231 0.000 0.631 453 A CB -1.229 17.659 19.000 -0.187 0.000 0.814 453 A HN 0.306 nan 8.150 nan 0.000 0.446 454 A N -0.198 122.512 122.820 -0.183 0.000 1.933 454 A HA 0.159 4.480 4.320 0.001 0.000 0.218 454 A C 2.474 179.973 177.584 -0.141 0.000 1.175 454 A CA 2.027 53.973 52.037 -0.152 0.000 0.628 454 A CB -0.911 17.994 19.000 -0.159 0.000 0.814 454 A HN 1.051 nan 8.150 nan 0.000 0.444 455 A N -0.861 121.857 122.820 -0.170 0.000 1.930 455 A HA 0.064 4.385 4.320 0.001 0.000 0.217 455 A C 2.013 179.549 177.584 -0.079 0.000 1.175 455 A CA 1.482 53.444 52.037 -0.125 0.000 0.627 455 A CB -0.479 18.442 19.000 -0.130 0.000 0.815 455 A HN 0.391 nan 8.150 nan 0.000 0.443 456 L N -0.011 121.160 121.223 -0.087 0.000 2.046 456 L HA -0.154 4.186 4.340 0.001 0.000 0.208 456 L C 2.338 179.181 176.870 -0.045 0.000 1.077 456 L CA 1.636 56.443 54.840 -0.055 0.000 0.747 456 L CB -0.357 41.663 42.059 -0.065 0.000 0.896 456 L HN 0.210 nan 8.230 nan 0.000 0.432 457 K N -0.850 119.515 120.400 -0.059 0.000 2.211 457 K HA -0.127 4.194 4.320 0.001 0.000 0.204 457 K C 1.615 178.191 176.600 -0.040 0.000 1.047 457 K CA 1.393 57.651 56.287 -0.048 0.000 0.935 457 K CB -0.567 31.898 32.500 -0.058 0.000 0.728 457 K HN 0.428 nan 8.250 nan 0.000 0.452 458 C N 0.321 119.594 119.300 -0.046 0.000 2.693 458 C HA 0.307 4.768 4.460 0.001 0.000 0.286 458 C C 1.076 176.049 174.990 -0.028 0.000 1.277 458 C CA -0.393 58.602 59.018 -0.038 0.000 1.705 458 C CB -0.938 26.773 27.740 -0.047 0.000 1.879 458 C HN 0.580 nan 8.230 nan 0.000 0.607 459 G N 1.697 110.484 108.800 -0.022 0.000 2.298 459 G HA2 -0.241 3.719 3.960 0.001 0.000 0.287 459 G HA3 -0.241 3.719 3.960 0.001 0.000 0.287 459 G C -0.142 174.749 174.900 -0.015 0.000 1.075 459 G CA 0.157 45.248 45.100 -0.015 0.000 0.960 459 G HN 0.662 nan 8.290 nan 0.000 0.502 460 L N 1.950 123.165 121.223 -0.013 0.000 2.559 460 L HA 0.513 4.853 4.340 0.001 0.000 0.274 460 L C 1.172 178.042 176.870 0.000 0.000 1.205 460 L CA 0.956 55.794 54.840 -0.004 0.000 0.907 460 L CB 0.284 42.350 42.059 0.013 0.000 1.153 460 L HN 0.620 nan 8.230 nan 0.000 0.490 461 T N 1.193 115.744 114.554 -0.006 0.000 2.934 461 T HA 0.322 4.672 4.350 0.001 0.000 0.283 461 T C 0.907 175.596 174.700 -0.019 0.000 1.005 461 T CA -0.494 61.598 62.100 -0.013 0.000 1.041 461 T CB 1.456 70.313 68.868 -0.018 0.000 1.042 461 T HN 0.630 nan 8.240 nan 0.000 0.505 462 K N 0.705 121.081 120.400 -0.041 0.000 2.152 462 K HA -0.193 4.128 4.320 0.001 0.000 0.206 462 K C 2.349 178.896 176.600 -0.089 0.000 1.048 462 K CA 2.105 58.332 56.287 -0.099 0.000 0.933 462 K CB -0.416 31.984 32.500 -0.166 0.000 0.721 462 K HN 0.850 nan 8.250 nan 0.000 0.447 463 Q N -0.466 119.303 119.800 -0.051 0.000 2.187 463 Q HA -0.125 4.215 4.340 0.001 0.000 0.199 463 Q C 1.847 177.832 176.000 -0.024 0.000 0.957 463 Q CA 0.914 56.694 55.803 -0.037 0.000 0.857 463 Q CB -0.224 28.501 28.738 -0.022 0.000 0.929 463 Q HN 0.406 nan 8.270 nan 0.000 0.453 464 Q N 0.472 120.262 119.800 -0.017 0.000 2.084 464 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 464 Q C 2.133 178.136 176.000 0.006 0.000 0.978 464 Q CA 1.366 57.165 55.803 -0.008 0.000 0.844 464 Q CB -0.098 28.635 28.738 -0.009 0.000 0.898 464 Q HN 0.335 nan 8.270 nan 0.000 0.426 465 L N 1.350 122.582 121.223 0.014 0.000 2.017 465 L HA -0.178 4.162 4.340 0.001 0.000 0.208 465 L C 1.396 178.288 176.870 0.036 0.000 1.073 465 L CA 1.946 56.819 54.840 0.056 0.000 0.745 465 L CB -0.451 41.644 42.059 0.061 0.000 0.894 465 L HN 0.092 nan 8.230 nan 0.000 0.432 466 D N -1.048 119.345 120.400 -0.012 0.000 2.264 466 D HA -0.101 4.539 4.640 0.001 0.000 0.208 466 D C 2.281 178.580 176.300 -0.003 0.000 0.966 466 D CA 1.280 55.269 54.000 -0.019 0.000 0.864 466 D CB 0.019 40.790 40.800 -0.049 0.000 0.933 466 D HN 0.580 nan 8.370 nan 0.000 0.499 467 S N -0.815 114.884 115.700 -0.001 0.000 2.528 467 S HA 0.008 4.478 4.470 0.001 0.000 0.219 467 S C 0.980 175.583 174.600 0.004 0.000 0.985 467 S CA -0.127 58.072 58.200 -0.001 0.000 0.914 467 S CB -0.102 63.095 63.200 -0.006 0.000 0.776 467 S HN -0.098 nan 8.310 nan 0.000 0.526 468 T N 4.528 119.091 114.554 0.015 0.000 2.851 468 T HA 0.361 4.711 4.350 0.001 0.000 0.298 468 T C 0.013 174.729 174.700 0.027 0.000 0.977 468 T CA -0.304 61.806 62.100 0.018 0.000 1.126 468 T CB 0.375 69.263 68.868 0.032 0.000 0.916 468 T HN 0.172 nan 8.240 nan 0.000 0.529 469 I N 3.117 123.696 120.570 0.016 0.000 2.395 469 I HA 0.282 4.452 4.170 0.001 0.000 0.289 469 I C 1.368 177.505 176.117 0.033 0.000 1.023 469 I CA -0.466 60.846 61.300 0.019 0.000 1.350 469 I CB 0.477 38.482 38.000 0.008 0.000 1.409 469 I HN 0.689 nan 8.210 nan 0.000 0.507 470 G N 6.463 115.290 108.800 0.044 0.000 2.594 470 G HA2 0.412 4.373 3.960 0.001 0.000 0.243 470 G HA3 0.412 4.373 3.960 0.001 0.000 0.243 470 G C -0.122 174.817 174.900 0.065 0.000 1.229 470 G CA -0.497 44.643 45.100 0.066 0.000 0.843 470 G HN 0.537 nan 8.290 nan 0.000 0.578 471 I N 0.122 120.737 120.570 0.076 0.000 2.385 471 I HA 0.266 4.436 4.170 0.001 0.000 0.294 471 I C -0.146 176.047 176.117 0.126 0.000 0.988 471 I CA -0.639 60.707 61.300 0.077 0.000 1.265 471 I CB 1.666 39.692 38.000 0.043 0.000 1.388 471 I HN 0.507 nan 8.210 nan 0.000 0.480 472 H N 6.682 125.756 119.070 0.007 0.000 2.538 472 H HA 0.593 5.150 4.556 0.001 0.000 0.353 472 H C -2.559 172.772 175.328 0.006 0.000 1.109 472 H CA -1.934 54.118 56.048 0.006 0.000 1.192 472 H CB 1.693 31.459 29.762 0.007 0.000 1.555 472 H HN 0.298 nan 8.280 nan 0.000 0.518 473 P HA 0.395 nan 4.420 nan 0.000 0.303 473 P C -1.465 175.744 177.300 -0.152 0.000 1.370 473 P CA -0.609 62.192 63.100 -0.498 0.000 0.854 473 P CB 1.460 32.748 31.700 -0.687 0.000 0.946 474 V N 2.829 122.718 119.914 -0.041 0.000 2.851 474 V HA 0.052 4.172 4.120 0.001 0.000 0.307 474 V C 1.208 177.296 176.094 -0.010 0.000 1.129 474 V CA -0.524 61.769 62.300 -0.012 0.000 0.932 474 V CB 1.842 33.674 31.823 0.015 0.000 1.024 474 V HN 0.680 nan 8.190 nan 0.000 0.426 475 C N 2.796 122.083 119.300 -0.023 0.000 2.398 475 C HA -0.196 4.264 4.460 0.001 0.000 0.276 475 C C 2.830 177.689 174.990 -0.219 0.000 1.222 475 C CA 1.709 60.651 59.018 -0.128 0.000 1.746 475 C CB -1.066 26.670 27.740 -0.006 0.000 2.039 475 C HN 1.057 nan 8.230 nan 0.000 0.470 476 A N 1.355 124.174 122.820 -0.002 0.000 1.986 476 A HA -0.267 4.053 4.320 0.001 0.000 0.220 476 A C 2.102 179.802 177.584 0.194 0.000 1.171 476 A CA 2.100 54.246 52.037 0.183 0.000 0.640 476 A CB -0.824 18.338 19.000 0.270 0.000 0.811 476 A HN 0.864 nan 8.150 nan 0.000 0.451 477 E N -0.335 119.915 120.200 0.082 0.000 2.219 477 E HA -0.246 4.105 4.350 0.001 0.000 0.198 477 E C 1.680 178.280 176.600 0.000 0.000 0.998 477 E CA 1.380 57.830 56.400 0.083 0.000 0.818 477 E CB -0.585 29.163 29.700 0.079 0.000 0.741 477 E HN 0.451 nan 8.360 nan 0.000 0.477 478 I N 0.945 121.404 120.570 -0.185 0.000 2.300 478 I HA -0.279 3.891 4.170 0.001 0.000 0.252 478 I C 1.624 177.544 176.117 -0.328 0.000 1.119 478 I CA 1.302 62.392 61.300 -0.350 0.000 1.384 478 I CB -0.403 37.155 38.000 -0.737 0.000 1.062 478 I HN 0.100 nan 8.210 nan 0.000 0.426 479 F N 0.177 120.032 119.950 -0.158 0.000 2.502 479 F HA -0.094 4.433 4.527 0.001 0.000 0.298 479 F C 2.482 178.256 175.800 -0.043 0.000 1.111 479 F CA 1.409 59.316 58.000 -0.155 0.000 1.445 479 F CB -0.986 37.849 39.000 -0.275 0.000 1.081 479 F HN 0.225 nan 8.300 nan 0.000 0.558 480 T N -4.213 110.440 114.554 0.166 0.000 3.129 480 T HA -0.004 4.346 4.350 0.001 0.000 0.251 480 T C 1.106 175.823 174.700 0.029 0.000 1.117 480 T CA 1.005 63.174 62.100 0.114 0.000 1.034 480 T CB -0.625 68.308 68.868 0.108 0.000 0.968 480 T HN 0.224 nan 8.240 nan 0.000 0.526 481 T N -0.313 114.234 114.554 -0.013 0.000 3.516 481 T HA 0.451 4.801 4.350 0.001 0.000 0.300 481 T C -0.003 174.676 174.700 -0.036 0.000 0.995 481 T CA -0.662 61.423 62.100 -0.025 0.000 0.982 481 T CB -0.657 68.198 68.868 -0.021 0.000 1.199 481 T HN 0.301 nan 8.240 nan 0.000 0.481 482 L N 2.905 124.095 121.223 -0.055 0.000 2.385 482 L HA 0.388 4.728 4.340 0.001 0.000 0.281 482 L C 1.311 178.235 176.870 0.090 0.000 1.106 482 L CA -0.324 54.508 54.840 -0.012 0.000 0.856 482 L CB 0.778 42.819 42.059 -0.031 0.000 1.186 482 L HN 0.506 nan 8.230 nan 0.000 0.453 483 S N 1.128 116.914 115.700 0.143 0.000 2.578 483 S HA 0.174 4.645 4.470 0.001 0.000 0.228 483 S C 0.253 174.983 174.600 0.217 0.000 1.022 483 S CA -0.409 57.913 58.200 0.205 0.000 0.967 483 S CB 0.508 63.771 63.200 0.105 0.000 0.914 483 S HN 0.232 nan 8.310 nan 0.000 0.515 484 V N 3.926 123.945 119.914 0.176 0.000 2.370 484 V HA 0.535 4.656 4.120 0.001 0.000 0.279 484 V C 0.540 176.680 176.094 0.076 0.000 1.029 484 V CA -0.358 62.011 62.300 0.114 0.000 0.870 484 V CB 1.003 32.893 31.823 0.112 0.000 0.984 484 V HN 0.605 nan 8.190 nan 0.000 0.451 485 T N 1.317 115.810 114.554 -0.101 0.000 2.918 485 T HA 0.373 4.723 4.350 0.001 0.000 0.283 485 T C 0.909 175.489 174.700 -0.200 0.000 1.001 485 T CA -0.619 61.303 62.100 -0.296 0.000 1.041 485 T CB 1.685 70.288 68.868 -0.442 0.000 1.028 485 T HN 0.518 nan 8.240 nan 0.000 0.511 486 K N 0.270 120.449 120.400 -0.368 0.000 2.057 486 K HA -0.068 4.252 4.320 0.001 0.000 0.207 486 K C 2.560 179.074 176.600 -0.143 0.000 1.049 486 K CA 1.089 57.192 56.287 -0.308 0.000 0.931 486 K CB -0.124 32.150 32.500 -0.377 0.000 0.714 486 K HN 0.678 nan 8.250 nan 0.000 0.440 487 R N 0.377 120.784 120.500 -0.154 0.000 2.091 487 R HA -0.148 4.193 4.340 0.001 0.000 0.238 487 R C 2.142 178.401 176.300 -0.069 0.000 1.136 487 R CA 2.099 58.139 56.100 -0.100 0.000 0.959 487 R CB -0.329 29.907 30.300 -0.107 0.000 0.856 487 R HN 0.297 nan 8.270 nan 0.000 0.437 488 S N -0.919 114.736 115.700 -0.075 0.000 2.442 488 S HA -0.033 4.437 4.470 0.001 0.000 0.236 488 S C 1.568 176.163 174.600 -0.009 0.000 1.007 488 S CA 1.077 59.255 58.200 -0.037 0.000 0.965 488 S CB -0.363 62.816 63.200 -0.034 0.000 0.773 488 S HN 0.687 nan 8.310 nan 0.000 0.504 489 G N 0.723 109.524 108.800 0.002 0.000 2.168 489 G HA2 -0.159 3.802 3.960 0.001 0.000 0.263 489 G HA3 -0.159 3.802 3.960 0.001 0.000 0.263 489 G C 0.491 175.419 174.900 0.048 0.000 0.977 489 G CA 0.225 45.341 45.100 0.027 0.000 0.659 489 G HN 1.212 nan 8.290 nan 0.000 0.533 490 G N -0.183 108.648 108.800 0.052 0.000 2.559 490 G HA2 0.387 4.348 3.960 0.001 0.000 0.235 490 G HA3 0.387 4.348 3.960 0.001 0.000 0.235 490 G C 0.038 174.980 174.900 0.071 0.000 1.266 490 G CA 0.618 45.751 45.100 0.055 0.000 0.847 490 G HN 0.600 nan 8.290 nan 0.000 0.583 491 D N -0.324 120.108 120.400 0.054 0.000 2.389 491 D HA 0.197 4.837 4.640 0.001 0.000 0.247 491 D C 1.288 177.621 176.300 0.055 0.000 1.128 491 D CA -0.203 53.830 54.000 0.055 0.000 0.884 491 D CB 0.562 41.387 40.800 0.041 0.000 1.194 491 D HN 0.320 nan 8.370 nan 0.000 0.441 492 I N 0.537 121.147 120.570 0.067 0.000 3.947 492 I HA 0.272 4.443 4.170 0.001 0.000 0.327 492 I C -0.386 175.857 176.117 0.209 0.000 1.519 492 I CA -0.598 60.741 61.300 0.065 0.000 1.122 492 I CB -0.082 37.832 38.000 -0.143 0.000 1.146 492 I HN 0.114 nan 8.210 nan 0.000 0.442 493 L N 1.948 123.261 121.223 0.150 0.000 2.417 493 L HA 0.302 4.643 4.340 0.001 0.000 0.268 493 L C 0.460 177.360 176.870 0.050 0.000 1.158 493 L CA -0.245 54.640 54.840 0.076 0.000 0.819 493 L CB 0.299 42.339 42.059 -0.030 0.000 1.112 493 L HN 0.238 nan 8.230 nan 0.000 0.458 494 Q N 1.069 120.874 119.800 0.009 0.000 2.306 494 Q HA 0.329 4.669 4.340 0.001 0.000 0.241 494 Q C -0.467 175.516 176.000 -0.029 0.000 0.948 494 Q CA -0.101 55.715 55.803 0.022 0.000 0.886 494 Q CB 1.684 30.457 28.738 0.058 0.000 1.227 494 Q HN 0.544 nan 8.270 nan 0.000 0.457 495 S N 0.091 115.798 115.700 0.012 0.000 2.488 495 S HA 0.445 4.916 4.470 0.001 0.000 0.151 495 S C -0.467 174.182 174.600 0.081 0.000 1.401 495 S CA 0.178 58.425 58.200 0.078 0.000 1.221 495 S CB -0.105 63.147 63.200 0.086 0.000 1.407 495 S HN 0.888 nan 8.310 nan 0.000 0.406 496 G N 1.823 110.668 108.800 0.074 0.000 2.531 496 G HA2 -0.106 3.854 3.960 0.001 0.000 0.283 496 G HA3 -0.106 3.854 3.960 0.001 0.000 0.283 496 G C 0.336 175.301 174.900 0.109 0.000 1.068 496 G CA -0.233 44.916 45.100 0.082 0.000 1.273 496 G HN 1.531 nan 8.290 nan 0.000 0.532 499 G N 0.000 108.805 108.800 0.009 0.000 5.446 499 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 499 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 499 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 499 G HN 0.000 nan 8.290 nan 0.000 0.925