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 1ijh_1_A DATA FIRST_RESID 9 DATA SEQUENCE GYVPAVVIGT GYGAAVSALR LGEAGVQTLM LEMGQLWNQP GPDGNIFCGM DATA SEQUENCE LNPDKRSSWF KNRTEAPLGS FLWLDVVNRN IDPYAGVLDR VNYDQMSVYV DATA SEQUENCE GRGVGGGSLV NGGMAVEPKR SYFEEILPRV DSSEMYDRYF PRANSMLRVN DATA SEQUENCE HIDTKWFEDT EWYKFARVSR EQAGKAGLGT VFVPNVYDFG YMQREAAGEV DATA SEQUENCE PKSALATEVI YGNNHGKQSL DKTYLAAALG TGKVTIQTLH QVKTIRQTKD DATA SEQUENCE GGYALTVEQK DTDGKLLATK EISCRYLFLG AGSLGSTELL VRARDTGTLP DATA SEQUENCE NLNSEVGAGW GPNGNIMTAR ANHMWNPTGA HQSSIPALGI DAWDNSDSSV DATA SEQUENCE FAEIAPMPAG LETWVSLYLA ITKNPQRGTF VYDAATDRAK LNWTRDQNAP DATA SEQUENCE AVNAAKALFD RINKANGTIY RYDLFGTQLK AFADDFCYHP LGGCVLGKAT DATA SEQUENCE DDYGRVAGYK NLYVTDGSLI PGSVGVLPFV TITALAERNV ERIIKQDV 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.579 3.960 -0.634 0.000 0.244 9 G C 0.000 174.977 174.900 0.129 0.000 0.946 9 G CA 0.000 45.151 45.100 0.084 0.000 0.502 10 Y N -0.161 120.147 120.300 0.014 0.000 2.409 10 Y HA 0.753 4.923 4.550 -0.634 0.000 0.343 10 Y C -0.885 175.028 175.900 0.023 0.000 0.973 10 Y CA -1.144 56.966 58.100 0.016 0.000 1.064 10 Y CB 2.173 40.636 38.460 0.006 0.000 1.207 10 Y HN 0.779 nan 8.280 nan 0.000 0.452 11 V N 8.568 127.946 119.914 -0.894 0.000 2.888 11 V HA 0.447 4.186 4.120 -0.634 0.000 0.309 11 V C -2.348 173.229 176.094 -0.862 0.000 1.114 11 V CA -2.419 59.464 62.300 -0.695 0.000 0.940 11 V CB 2.597 34.259 31.823 -0.269 0.000 1.021 11 V HN 0.709 nan 8.190 nan 0.000 0.426 12 P HA 0.002 nan 4.420 nan 0.000 0.214 12 P C -0.107 177.227 177.300 0.056 0.000 1.163 12 P CA 1.933 64.950 63.100 -0.139 0.000 0.889 12 P CB 0.191 31.951 31.700 0.100 0.000 0.790 13 A N -1.200 121.683 122.820 0.105 0.000 2.365 13 A HA 0.574 4.514 4.320 -0.634 0.000 0.318 13 A C -1.016 176.640 177.584 0.119 0.000 1.091 13 A CA -0.472 51.710 52.037 0.242 0.000 0.763 13 A CB 1.424 20.607 19.000 0.305 0.000 1.248 13 A HN -0.121 nan 8.150 nan 0.000 0.442 14 V N 2.134 122.158 119.914 0.184 0.000 2.604 14 V HA 0.518 4.257 4.120 -0.634 0.000 0.305 14 V C -0.544 175.661 176.094 0.186 0.000 1.043 14 V CA -0.510 61.858 62.300 0.114 0.000 0.888 14 V CB 1.857 33.720 31.823 0.068 0.000 0.995 14 V HN 0.675 nan 8.190 nan 0.000 0.429 15 V N 5.777 125.748 119.914 0.095 0.000 2.409 15 V HA 0.490 4.230 4.120 -0.634 0.000 0.291 15 V C -0.131 175.993 176.094 0.050 0.000 1.020 15 V CA -0.454 61.902 62.300 0.094 0.000 0.848 15 V CB 1.708 33.528 31.823 -0.006 0.000 0.990 15 V HN 0.656 nan 8.190 nan 0.000 0.430 16 I N 4.783 125.388 120.570 0.057 0.000 2.325 16 I HA 0.670 4.459 4.170 -0.634 0.000 0.291 16 I C 0.942 177.066 176.117 0.012 0.000 1.019 16 I CA 0.264 61.579 61.300 0.025 0.000 1.302 16 I CB 0.874 38.883 38.000 0.015 0.000 1.401 16 I HN 0.899 nan 8.210 nan 0.000 0.485 17 G N 4.335 113.136 108.800 0.001 0.000 2.746 17 G HA2 -0.145 3.435 3.960 -0.634 0.000 0.685 17 G HA3 -0.145 3.435 3.960 -0.634 0.000 0.685 17 G C -0.029 174.855 174.900 -0.027 0.000 1.350 17 G CA -0.224 44.868 45.100 -0.013 0.000 0.837 17 G HN 0.876 nan 8.290 nan 0.000 0.564 18 T N -1.708 112.822 114.554 -0.041 0.000 3.604 18 T HA 0.649 4.619 4.350 -0.634 0.000 0.305 18 T C 1.121 175.751 174.700 -0.117 0.000 0.978 18 T CA 0.930 62.990 62.100 -0.068 0.000 0.999 18 T CB 0.372 69.212 68.868 -0.048 0.000 1.204 18 T HN 1.938 nan 8.240 nan 0.000 0.476 19 G N 0.458 109.194 108.800 -0.108 0.000 2.504 19 G HA2 0.442 4.022 3.960 -0.634 0.000 0.257 19 G HA3 0.442 4.022 3.960 -0.634 0.000 0.257 19 G C 0.295 175.050 174.900 -0.241 0.000 1.451 19 G CA -0.737 44.265 45.100 -0.164 0.000 1.059 19 G HN 0.237 nan 8.290 nan 0.000 0.550 20 Y N 0.495 120.729 120.300 -0.111 0.000 2.114 20 Y HA -0.073 4.096 4.550 -0.635 0.000 0.284 20 Y C 3.057 178.841 175.900 -0.194 0.000 1.143 20 Y CA 1.839 59.839 58.100 -0.168 0.000 1.135 20 Y CB -0.619 37.781 38.460 -0.099 0.000 0.980 20 Y HN 0.449 nan 8.280 nan 0.000 0.499 21 G N -0.600 108.224 108.800 0.040 0.000 2.418 21 G HA2 -0.226 3.353 3.960 -0.634 0.000 0.217 21 G HA3 -0.226 3.353 3.960 -0.634 0.000 0.217 21 G C 1.895 176.751 174.900 -0.074 0.000 1.158 21 G CA 1.002 46.088 45.100 -0.023 0.000 0.771 21 G HN 0.486 nan 8.290 nan 0.000 0.545 22 A N 1.214 123.994 122.820 -0.066 0.000 1.883 22 A HA 0.224 4.164 4.320 -0.634 0.000 0.217 22 A C 2.820 180.317 177.584 -0.145 0.000 1.186 22 A CA 2.424 54.410 52.037 -0.084 0.000 0.624 22 A CB -0.831 18.133 19.000 -0.061 0.000 0.822 22 A HN 0.789 nan 8.150 nan 0.000 0.444 23 A N -0.690 122.018 122.820 -0.187 0.000 1.898 23 A HA 0.049 3.988 4.320 -0.634 0.000 0.216 23 A C 2.228 179.674 177.584 -0.230 0.000 1.181 23 A CA 1.678 53.601 52.037 -0.191 0.000 0.620 23 A CB -0.919 17.947 19.000 -0.224 0.000 0.819 23 A HN 0.391 nan 8.150 nan 0.000 0.442 24 V N 0.137 119.798 119.914 -0.421 0.000 2.343 24 V HA -0.238 3.502 4.120 -0.634 0.000 0.247 24 V C 2.799 178.779 176.094 -0.190 0.000 1.051 24 V CA 2.378 64.449 62.300 -0.381 0.000 1.036 24 V CB -0.906 30.667 31.823 -0.417 0.000 0.654 24 V HN 0.562 nan 8.190 nan 0.000 0.451 25 S N 0.427 115.991 115.700 -0.227 0.000 2.356 25 S HA -0.167 3.922 4.470 -0.634 0.000 0.223 25 S C 2.213 176.599 174.600 -0.357 0.000 1.032 25 S CA 1.477 59.479 58.200 -0.331 0.000 1.005 25 S CB -0.549 62.406 63.200 -0.409 0.000 0.867 25 S HN 0.655 nan 8.310 nan 0.000 0.449 26 A N 1.280 123.942 122.820 -0.264 0.000 1.930 26 A HA 0.009 3.948 4.320 -0.634 0.000 0.217 26 A C 2.100 179.604 177.584 -0.134 0.000 1.175 26 A CA 1.146 53.056 52.037 -0.211 0.000 0.627 26 A CB -0.646 18.269 19.000 -0.141 0.000 0.815 26 A HN 0.397 nan 8.150 nan 0.000 0.443 27 L N -0.256 120.926 121.223 -0.068 0.000 2.012 27 L HA -0.153 3.807 4.340 -0.634 0.000 0.210 27 L C 2.326 179.169 176.870 -0.044 0.000 1.073 27 L CA 1.936 56.769 54.840 -0.011 0.000 0.748 27 L CB -0.475 41.651 42.059 0.112 0.000 0.891 27 L HN 0.237 nan 8.230 nan 0.000 0.431 28 R N -0.435 120.024 120.500 -0.068 0.000 2.115 28 R HA 0.011 3.971 4.340 -0.634 0.000 0.226 28 R C 2.304 178.531 176.300 -0.123 0.000 1.100 28 R CA 1.254 57.308 56.100 -0.078 0.000 0.980 28 R CB -1.055 29.200 30.300 -0.075 0.000 0.875 28 R HN 0.416 nan 8.270 nan 0.000 0.445 29 L N -0.120 120.987 121.223 -0.193 0.000 2.017 29 L HA -0.097 3.863 4.340 -0.634 0.000 0.208 29 L C 2.518 179.319 176.870 -0.115 0.000 1.073 29 L CA 1.692 56.415 54.840 -0.194 0.000 0.745 29 L CB -0.954 40.934 42.059 -0.285 0.000 0.894 29 L HN 0.282 nan 8.230 nan 0.000 0.432 30 G N -0.640 108.102 108.800 -0.096 0.000 2.418 30 G HA2 -0.246 3.334 3.960 -0.634 0.000 0.217 30 G HA3 -0.246 3.334 3.960 -0.634 0.000 0.217 30 G C 1.435 176.307 174.900 -0.047 0.000 1.158 30 G CA 0.614 45.677 45.100 -0.061 0.000 0.771 30 G HN 0.410 nan 8.290 nan 0.000 0.545 31 E N 0.328 120.499 120.200 -0.048 0.000 2.204 31 E HA 0.040 4.010 4.350 -0.634 0.000 0.194 31 E C 2.621 179.200 176.600 -0.035 0.000 0.989 31 E CA 0.586 56.964 56.400 -0.036 0.000 0.824 31 E CB -0.077 29.604 29.700 -0.032 0.000 0.756 31 E HN 0.433 nan 8.360 nan 0.000 0.477 32 A N 0.057 122.848 122.820 -0.048 0.000 2.238 32 A HA 0.240 4.180 4.320 -0.634 0.000 0.208 32 A C 1.639 179.206 177.584 -0.028 0.000 1.177 32 A CA 0.781 52.792 52.037 -0.043 0.000 0.804 32 A CB -0.219 18.742 19.000 -0.065 0.000 0.823 32 A HN 0.318 nan 8.150 nan 0.000 0.482 33 G N -1.576 107.209 108.800 -0.024 0.000 2.132 33 G HA2 -0.181 3.398 3.960 -0.634 0.000 0.234 33 G HA3 -0.181 3.398 3.960 -0.634 0.000 0.234 33 G C 0.052 174.954 174.900 0.003 0.000 0.989 33 G CA 0.065 45.160 45.100 -0.008 0.000 0.676 33 G HN 0.806 nan 8.290 nan 0.000 0.522 34 V N 1.180 121.088 119.914 -0.009 0.000 2.385 34 V HA 0.467 4.207 4.120 -0.634 0.000 0.269 34 V C 0.810 176.910 176.094 0.009 0.000 1.043 34 V CA -0.458 61.853 62.300 0.019 0.000 0.906 34 V CB 1.531 33.354 31.823 0.001 0.000 0.995 34 V HN 0.476 nan 8.190 nan 0.000 0.467 35 Q N 3.883 123.697 119.800 0.023 0.000 2.274 35 Q HA 0.207 4.167 4.340 -0.634 0.000 0.280 35 Q C -0.192 175.801 176.000 -0.011 0.000 1.047 35 Q CA 0.830 56.632 55.803 -0.000 0.000 0.907 35 Q CB 0.608 29.347 28.738 0.001 0.000 1.171 35 Q HN 0.861 nan 8.270 nan 0.000 0.381 36 T N 4.965 119.501 114.554 -0.031 0.000 2.881 36 T HA 0.494 4.464 4.350 -0.634 0.000 0.290 36 T C -1.525 173.146 174.700 -0.048 0.000 1.000 36 T CA -0.633 61.445 62.100 -0.037 0.000 0.978 36 T CB 0.828 69.656 68.868 -0.067 0.000 0.997 36 T HN 0.556 nan 8.240 nan 0.000 0.443 37 L N 4.490 125.687 121.223 -0.044 0.000 2.305 37 L HA 0.669 4.628 4.340 -0.634 0.000 0.284 37 L C -0.729 176.115 176.870 -0.043 0.000 1.013 37 L CA -0.505 54.302 54.840 -0.054 0.000 0.819 37 L CB 0.920 42.941 42.059 -0.064 0.000 1.227 37 L HN 0.661 nan 8.230 nan 0.000 0.417 38 M N 6.325 125.892 119.600 -0.054 0.000 2.209 38 M HA 0.418 4.517 4.480 -0.634 0.000 0.355 38 M C -0.988 175.281 176.300 -0.052 0.000 1.171 38 M CA -0.334 54.940 55.300 -0.044 0.000 1.069 38 M CB 1.296 33.867 32.600 -0.049 0.000 1.622 38 M HN 0.451 nan 8.290 nan 0.000 0.459 39 L N 2.751 123.959 121.223 -0.026 0.000 2.280 39 L HA 0.460 4.420 4.340 -0.634 0.000 0.287 39 L C -0.347 176.535 176.870 0.021 0.000 1.023 39 L CA -0.525 54.310 54.840 -0.008 0.000 0.819 39 L CB 1.185 43.259 42.059 0.025 0.000 1.212 39 L HN 0.600 nan 8.230 nan 0.000 0.420 40 E N 3.623 123.845 120.200 0.037 0.000 2.176 40 E HA 0.296 4.265 4.350 -0.634 0.000 0.267 40 E C 0.424 177.078 176.600 0.091 0.000 0.893 40 E CA -0.689 55.737 56.400 0.044 0.000 0.761 40 E CB 1.664 31.383 29.700 0.032 0.000 1.133 40 E HN 0.601 nan 8.360 nan 0.000 0.409 41 M N 2.017 121.659 119.600 0.071 0.000 2.419 41 M HA 0.308 4.408 4.480 -0.634 0.000 0.264 41 M C 0.895 177.327 176.300 0.219 0.000 1.082 41 M CA 0.840 56.218 55.300 0.129 0.000 1.119 41 M CB 0.090 32.736 32.600 0.078 0.000 1.398 41 M HN 0.336 nan 8.290 nan 0.000 0.453 42 G N 0.847 109.726 108.800 0.131 0.000 2.531 42 G HA2 0.441 4.021 3.960 -0.634 0.000 0.281 42 G HA3 0.441 4.021 3.960 -0.634 0.000 0.281 42 G C -0.863 174.142 174.900 0.176 0.000 1.382 42 G CA -0.780 44.481 45.100 0.268 0.000 1.045 42 G HN 0.449 nan 8.290 nan 0.000 0.533 43 Q N -1.286 118.566 119.800 0.087 0.000 2.212 43 Q HA 0.391 4.351 4.340 -0.634 0.000 0.238 43 Q C -0.775 175.122 176.000 -0.172 0.000 0.955 43 Q CA -0.835 54.840 55.803 -0.214 0.000 0.906 43 Q CB 1.974 30.269 28.738 -0.737 0.000 1.215 43 Q HN 0.313 nan 8.270 nan 0.000 0.478 44 L N 1.401 122.515 121.223 -0.183 0.000 2.325 44 L HA 0.153 4.113 4.340 -0.634 0.000 0.284 44 L C -1.373 175.393 176.870 -0.173 0.000 1.089 44 L CA 0.235 55.025 54.840 -0.083 0.000 0.836 44 L CB -0.002 42.023 42.059 -0.057 0.000 1.184 44 L HN 0.477 nan 8.230 nan 0.000 0.444 45 W N 6.641 127.949 121.300 0.014 0.000 2.290 45 W HA 0.269 4.551 4.660 -0.631 0.000 0.408 45 W C 0.616 177.043 176.519 -0.153 0.000 0.966 45 W CA -0.335 56.972 57.345 -0.063 0.000 1.579 45 W CB 0.039 29.518 29.460 0.032 0.000 1.662 45 W HN 0.777 nan 8.180 nan 0.000 0.341 46 N N 0.172 118.847 118.700 -0.042 0.000 2.110 46 N HA -0.005 4.354 4.740 -0.634 0.000 0.230 46 N C -0.492 174.973 175.510 -0.076 0.000 1.353 46 N CA -0.227 52.790 53.050 -0.056 0.000 0.807 46 N CB 0.066 38.532 38.487 -0.035 0.000 1.244 46 N HN 0.109 nan 8.380 nan 0.000 0.504 47 Q N 1.439 121.183 119.800 -0.093 0.000 2.325 47 Q HA 0.505 4.465 4.340 -0.634 0.000 0.262 47 Q C -2.546 173.418 176.000 -0.059 0.000 0.968 47 Q CA -1.561 54.197 55.803 -0.075 0.000 0.877 47 Q CB 1.870 30.557 28.738 -0.085 0.000 1.253 47 Q HN 0.167 nan 8.270 nan 0.000 0.448 48 P HA 0.021 nan 4.420 nan 0.000 0.264 48 P C 0.069 177.355 177.300 -0.022 0.000 1.183 48 P CA 0.337 63.417 63.100 -0.033 0.000 0.763 48 P CB 0.690 32.377 31.700 -0.021 0.000 0.807 49 G N 3.209 112.003 108.800 -0.010 0.000 2.671 49 G HA2 0.349 3.928 3.960 -0.634 0.000 0.275 49 G HA3 0.349 3.928 3.960 -0.634 0.000 0.275 49 G C -1.838 173.055 174.900 -0.012 0.000 1.368 49 G CA -1.109 43.986 45.100 -0.008 0.000 1.044 49 G HN 0.220 nan 8.290 nan 0.000 0.543 50 P HA 0.029 nan 4.420 nan 0.000 0.226 50 P C 0.572 177.870 177.300 -0.004 0.000 1.153 50 P CA 1.158 64.247 63.100 -0.019 0.000 0.777 50 P CB 0.201 31.881 31.700 -0.033 0.000 0.794 51 D N -2.291 118.113 120.400 0.006 0.000 2.340 51 D HA 0.157 4.417 4.640 -0.634 0.000 0.217 51 D C 1.405 177.720 176.300 0.025 0.000 1.081 51 D CA 0.211 54.222 54.000 0.019 0.000 0.842 51 D CB -0.824 39.994 40.800 0.031 0.000 0.934 51 D HN 0.153 nan 8.370 nan 0.000 0.511 52 G N -0.104 108.706 108.800 0.016 0.000 2.179 52 G HA2 -0.280 3.300 3.960 -0.634 0.000 0.260 52 G HA3 -0.280 3.300 3.960 -0.634 0.000 0.260 52 G C 0.013 174.924 174.900 0.018 0.000 0.977 52 G CA -0.022 45.088 45.100 0.018 0.000 0.641 52 G HN 0.428 nan 8.290 nan 0.000 0.533 53 N N -0.597 118.115 118.700 0.019 0.000 2.384 53 N HA 0.635 4.994 4.740 -0.634 0.000 0.301 53 N C 1.598 177.088 175.510 -0.033 0.000 1.133 53 N CA -0.562 52.491 53.050 0.006 0.000 0.853 53 N CB 1.418 39.932 38.487 0.045 0.000 1.241 53 N HN 0.011 nan 8.380 nan 0.000 0.502 54 I N 0.051 120.543 120.570 -0.130 0.000 2.202 54 I HA -0.082 3.708 4.170 -0.634 0.000 0.242 54 I C 0.081 176.057 176.117 -0.234 0.000 1.091 54 I CA 1.314 62.457 61.300 -0.262 0.000 1.368 54 I CB 0.027 37.702 38.000 -0.542 0.000 1.058 54 I HN 0.287 nan 8.210 nan 0.000 0.410 55 F N 0.368 120.365 119.950 0.078 0.000 2.470 55 F HA 0.332 4.479 4.527 -0.634 0.000 0.329 55 F C 0.588 176.416 175.800 0.047 0.000 1.072 55 F CA -1.850 56.167 58.000 0.029 0.000 0.989 55 F CB 0.594 39.559 39.000 -0.058 0.000 1.193 55 F HN 0.066 nan 8.300 nan 0.000 0.481 56 C N 0.176 119.633 119.300 0.261 0.000 2.443 56 C HA 0.888 4.968 4.460 -0.634 0.000 0.369 56 C C 0.706 175.848 174.990 0.254 0.000 1.241 56 C CA -0.648 58.480 59.018 0.183 0.000 2.413 56 C CB 0.230 28.019 27.740 0.081 0.000 2.451 56 C HN 1.013 nan 8.230 nan 0.000 0.595 57 G N 0.999 109.924 108.800 0.208 0.000 2.537 57 G HA2 0.480 4.059 3.960 -0.634 0.000 0.297 57 G HA3 0.480 4.059 3.960 -0.634 0.000 0.297 57 G C 0.360 175.430 174.900 0.283 0.000 1.310 57 G CA -0.988 44.234 45.100 0.202 0.000 1.027 57 G HN 0.838 nan 8.290 nan 0.000 0.505 58 M N -0.272 119.424 119.600 0.160 0.000 2.492 58 M HA 0.122 4.221 4.480 -0.634 0.000 0.262 58 M C 1.535 177.932 176.300 0.161 0.000 1.090 58 M CA 0.575 55.975 55.300 0.166 0.000 1.110 58 M CB -0.030 32.551 32.600 -0.031 0.000 1.407 58 M HN 0.175 nan 8.290 nan 0.000 0.470 59 L N 0.696 121.988 121.223 0.115 0.000 2.607 59 L HA 0.090 4.050 4.340 -0.634 0.000 0.228 59 L C 0.594 177.514 176.870 0.084 0.000 1.123 59 L CA 0.769 55.661 54.840 0.087 0.000 0.890 59 L CB -0.549 41.549 42.059 0.065 0.000 1.103 59 L HN 0.421 nan 8.230 nan 0.000 0.468 60 N N -0.151 118.609 118.700 0.101 0.000 2.646 60 N HA 0.183 4.542 4.740 -0.634 0.000 0.303 60 N C -2.826 172.717 175.510 0.056 0.000 1.921 60 N CA -1.282 51.809 53.050 0.068 0.000 0.872 60 N CB 0.358 38.881 38.487 0.059 0.000 1.327 60 N HN -0.003 nan 8.380 nan 0.000 0.492 61 P HA 0.160 nan 4.420 nan 0.000 0.268 61 P C -0.582 176.666 177.300 -0.086 0.000 1.205 61 P CA 0.415 63.473 63.100 -0.071 0.000 0.771 61 P CB 1.182 32.832 31.700 -0.083 0.000 0.858 62 D N 1.302 121.623 120.400 -0.131 0.000 3.076 62 D HA 0.135 4.395 4.640 -0.634 0.000 0.301 62 D C 1.008 177.231 176.300 -0.130 0.000 1.260 62 D CA -0.655 53.281 54.000 -0.106 0.000 1.027 62 D CB 0.133 40.883 40.800 -0.083 0.000 1.370 62 D HN 0.287 nan 8.370 nan 0.000 0.602 63 K N -0.240 120.075 120.400 -0.142 0.000 2.280 63 K HA -0.032 3.907 4.320 -0.634 0.000 0.202 63 K C 1.479 178.076 176.600 -0.006 0.000 1.047 63 K CA 0.699 56.905 56.287 -0.136 0.000 0.942 63 K CB -0.142 32.192 32.500 -0.277 0.000 0.739 63 K HN 0.182 nan 8.250 nan 0.000 0.457 64 R N 1.309 121.816 120.500 0.012 0.000 2.285 64 R HA -0.026 3.933 4.340 -0.634 0.000 0.213 64 R C 2.197 178.588 176.300 0.151 0.000 1.068 64 R CA 1.190 57.477 56.100 0.311 0.000 1.004 64 R CB -0.117 30.386 30.300 0.339 0.000 0.873 64 R HN 0.450 nan 8.270 nan 0.000 0.467 65 S N -0.934 114.697 115.700 -0.115 0.000 2.496 65 S HA 0.071 4.160 4.470 -0.634 0.000 0.224 65 S C 0.538 175.073 174.600 -0.109 0.000 0.996 65 S CA -0.181 57.757 58.200 -0.437 0.000 0.927 65 S CB 0.416 62.920 63.200 -1.159 0.000 0.774 65 S HN -0.034 nan 8.310 nan 0.000 0.524 66 S N 0.703 116.429 115.700 0.044 0.000 2.547 66 S HA 0.352 4.441 4.470 -0.634 0.000 0.281 66 S C -1.439 173.266 174.600 0.175 0.000 1.118 66 S CA -0.753 57.520 58.200 0.123 0.000 0.947 66 S CB 0.941 64.179 63.200 0.064 0.000 1.053 66 S HN 0.550 nan 8.310 nan 0.000 0.482 67 W N 4.864 126.197 121.300 0.054 0.000 2.481 67 W HA 0.282 4.560 4.660 -0.636 0.000 0.320 67 W C -1.201 175.377 176.519 0.098 0.000 1.209 67 W CA -0.648 56.724 57.345 0.046 0.000 1.400 67 W CB -0.387 29.171 29.460 0.163 0.000 1.361 67 W HN 0.843 nan 8.180 nan 0.000 0.456 68 F N 3.795 123.594 119.950 -0.252 0.000 2.773 68 F HA -0.332 3.815 4.527 -0.633 0.000 0.251 68 F C 0.431 176.203 175.800 -0.048 0.000 1.020 68 F CA 1.114 58.975 58.000 -0.230 0.000 0.924 68 F CB -0.974 37.771 39.000 -0.426 0.000 0.919 68 F HN 0.149 nan 8.300 nan 0.000 0.846 69 K N 0.763 121.192 120.400 0.050 0.000 2.340 69 K HA 0.451 4.390 4.320 -0.634 0.000 0.244 69 K C 0.646 177.270 176.600 0.041 0.000 0.973 69 K CA -0.725 55.604 56.287 0.071 0.000 0.828 69 K CB 1.333 33.883 32.500 0.083 0.000 1.226 69 K HN 0.151 nan 8.250 nan 0.000 0.437 70 N N 0.448 119.176 118.700 0.046 0.000 2.230 70 N HA 0.030 4.390 4.740 -0.634 0.000 0.202 70 N C -0.126 175.401 175.510 0.029 0.000 1.119 70 N CA -0.201 52.868 53.050 0.032 0.000 0.851 70 N CB 0.658 39.166 38.487 0.034 0.000 0.990 70 N HN 0.449 nan 8.380 nan 0.000 0.497 71 R N -0.078 120.445 120.500 0.039 0.000 2.604 71 R HA 0.260 4.219 4.340 -0.634 0.000 0.270 71 R C -1.048 175.282 176.300 0.051 0.000 1.052 71 R CA -0.444 55.680 56.100 0.041 0.000 0.902 71 R CB 1.050 31.384 30.300 0.055 0.000 1.233 71 R HN 0.191 nan 8.270 nan 0.000 0.455 72 T N -0.089 114.487 114.554 0.036 0.000 2.813 72 T HA 0.310 4.280 4.350 -0.634 0.000 0.297 72 T C -0.077 174.689 174.700 0.110 0.000 1.036 72 T CA -0.442 61.684 62.100 0.043 0.000 1.044 72 T CB 1.061 69.928 68.868 -0.002 0.000 0.993 72 T HN 0.568 nan 8.240 nan 0.000 0.535 73 E N -0.200 120.100 120.200 0.165 0.000 2.312 73 E HA 0.579 4.549 4.350 -0.634 0.000 0.267 73 E C -0.692 176.070 176.600 0.270 0.000 0.894 73 E CA -1.370 55.171 56.400 0.234 0.000 0.773 73 E CB 2.157 32.017 29.700 0.267 0.000 1.241 73 E HN 0.906 nan 8.360 nan 0.000 0.432 74 A N 2.620 125.605 122.820 0.275 0.000 2.388 74 A HA 0.412 4.352 4.320 -0.634 0.000 0.257 74 A C -2.246 175.473 177.584 0.225 0.000 1.095 74 A CA -1.160 51.019 52.037 0.237 0.000 0.791 74 A CB -0.344 18.791 19.000 0.225 0.000 1.029 74 A HN 0.295 nan 8.150 nan 0.000 0.489 75 P HA 0.101 nan 4.420 nan 0.000 0.265 75 P C -0.257 177.104 177.300 0.100 0.000 1.193 75 P CA -0.261 62.880 63.100 0.069 0.000 0.765 75 P CB 0.234 31.923 31.700 -0.018 0.000 0.823 76 L N 3.241 124.495 121.223 0.051 0.000 2.540 76 L HA 0.229 4.188 4.340 -0.634 0.000 0.276 76 L C 1.474 178.413 176.870 0.115 0.000 1.212 76 L CA 2.138 57.009 54.840 0.052 0.000 0.893 76 L CB -0.991 40.942 42.059 -0.211 0.000 1.138 76 L HN 0.807 nan 8.230 nan 0.000 0.491 77 G N 2.504 111.441 108.800 0.229 0.000 2.254 77 G HA2 -0.255 3.324 3.960 -0.634 0.000 0.225 77 G HA3 -0.255 3.324 3.960 -0.634 0.000 0.225 77 G C 0.818 175.801 174.900 0.137 0.000 1.003 77 G CA 0.262 45.428 45.100 0.110 0.000 0.622 77 G HN 0.652 nan 8.290 nan 0.000 0.507 78 S N -0.290 115.531 115.700 0.201 0.000 2.730 78 S HA 0.365 4.455 4.470 -0.634 0.000 0.244 78 S C 1.109 175.872 174.600 0.271 0.000 1.022 78 S CA 0.329 58.725 58.200 0.326 0.000 1.014 78 S CB 0.101 63.426 63.200 0.208 0.000 0.963 78 S HN 0.511 nan 8.310 nan 0.000 0.540 79 F N 2.736 122.713 119.950 0.045 0.000 2.154 79 F HA -0.158 3.989 4.527 -0.634 0.000 0.301 79 F C 1.524 177.240 175.800 -0.140 0.000 1.087 79 F CA 1.601 59.590 58.000 -0.018 0.000 1.274 79 F CB -0.239 38.745 39.000 -0.026 0.000 1.009 79 F HN 0.196 nan 8.300 nan 0.000 0.485 80 L N -1.262 119.801 121.223 -0.267 0.000 2.265 80 L HA -0.230 3.730 4.340 -0.634 0.000 0.215 80 L C 1.859 178.249 176.870 -0.799 0.000 1.117 80 L CA 0.919 55.323 54.840 -0.727 0.000 0.782 80 L CB -0.561 40.658 42.059 -1.400 0.000 0.914 80 L HN 0.388 nan 8.230 nan 0.000 0.441 81 W N -2.168 119.062 121.300 -0.117 0.000 2.871 81 W HA 0.170 4.654 4.660 -0.293 0.000 0.267 81 W C 1.383 177.827 176.519 -0.125 0.000 1.180 81 W CA -0.179 57.102 57.345 -0.108 0.000 1.463 81 W CB 0.335 29.744 29.460 -0.086 0.000 0.966 81 W HN 0.063 nan 8.180 nan 0.000 0.605 82 L N 0.303 121.562 121.223 0.059 0.000 2.693 82 L HA 0.079 4.039 4.340 -0.634 0.000 0.235 82 L C 1.583 178.384 176.870 -0.116 0.000 1.127 82 L CA 1.021 55.867 54.840 0.010 0.000 0.914 82 L CB -0.513 41.589 42.059 0.073 0.000 1.193 82 L HN -0.242 nan 8.230 nan 0.000 0.502 83 D N -0.760 119.427 120.400 -0.355 0.000 2.218 83 D HA -0.172 4.087 4.640 -0.634 0.000 0.204 83 D C 2.262 178.426 176.300 -0.227 0.000 0.976 83 D CA 0.853 54.575 54.000 -0.464 0.000 0.853 83 D CB 0.308 40.486 40.800 -1.037 0.000 0.939 83 D HN 0.088 nan 8.370 nan 0.000 0.481 84 V N 0.131 119.941 119.914 -0.174 0.000 2.720 84 V HA -0.135 3.605 4.120 -0.634 0.000 0.256 84 V C 1.998 178.063 176.094 -0.048 0.000 1.082 84 V CA 1.790 64.033 62.300 -0.094 0.000 1.101 84 V CB -0.064 31.721 31.823 -0.063 0.000 0.693 84 V HN 0.340 nan 8.190 nan 0.000 0.479 85 V N -1.806 118.089 119.914 -0.032 0.000 3.647 85 V HA 0.340 4.080 4.120 -0.634 0.000 0.279 85 V C 0.824 176.920 176.094 0.003 0.000 1.314 85 V CA -0.315 61.984 62.300 -0.002 0.000 1.125 85 V CB -0.927 30.910 31.823 0.023 0.000 0.907 85 V HN 0.470 nan 8.190 nan 0.000 0.434 86 N N 2.750 121.444 118.700 -0.009 0.000 2.482 86 N HA 0.397 4.757 4.740 -0.634 0.000 0.260 86 N C -0.202 175.312 175.510 0.007 0.000 1.236 86 N CA 0.155 53.212 53.050 0.012 0.000 0.938 86 N CB 0.586 39.089 38.487 0.025 0.000 1.128 86 N HN 0.408 nan 8.380 nan 0.000 0.448 87 R N 1.130 121.635 120.500 0.009 0.000 2.698 87 R HA 0.346 4.305 4.340 -0.634 0.000 0.275 87 R C -0.666 175.637 176.300 0.004 0.000 1.001 87 R CA -0.851 55.250 56.100 0.002 0.000 0.896 87 R CB 0.778 31.073 30.300 -0.009 0.000 1.218 87 R HN 0.499 nan 8.270 nan 0.000 0.462 88 N N 2.013 120.716 118.700 0.005 0.000 2.407 88 N HA 0.191 4.551 4.740 -0.634 0.000 0.250 88 N C 0.282 175.785 175.510 -0.011 0.000 1.236 88 N CA 0.390 53.442 53.050 0.004 0.000 0.879 88 N CB 0.425 38.915 38.487 0.005 0.000 1.088 88 N HN 0.460 nan 8.380 nan 0.000 0.450 89 I N -2.623 117.939 120.570 -0.013 0.000 3.095 89 I HA 0.484 4.274 4.170 -0.634 0.000 0.310 89 I C -0.871 175.231 176.117 -0.026 0.000 1.196 89 I CA -1.164 60.116 61.300 -0.033 0.000 0.985 89 I CB 2.020 39.991 38.000 -0.048 0.000 1.250 89 I HN 0.010 nan 8.210 nan 0.000 0.446 90 D N 3.700 124.075 120.400 -0.041 0.000 2.350 90 D HA 0.293 4.553 4.640 -0.634 0.000 0.249 90 D C -2.398 173.894 176.300 -0.014 0.000 1.119 90 D CA -0.954 53.035 54.000 -0.019 0.000 0.886 90 D CB 0.854 41.640 40.800 -0.023 0.000 1.195 90 D HN 0.340 nan 8.370 nan 0.000 0.437 91 P HA 0.055 nan 4.420 nan 0.000 0.264 91 P C -0.999 176.211 177.300 -0.151 0.000 1.193 91 P CA 0.342 63.432 63.100 -0.016 0.000 0.763 91 P CB 0.163 31.963 31.700 0.167 0.000 0.810 92 Y N 1.924 121.711 120.300 -0.856 0.000 2.609 92 Y HA 0.531 4.700 4.550 -0.635 0.000 0.336 92 Y C -0.788 174.191 175.900 -1.534 0.000 1.129 92 Y CA -1.301 56.257 58.100 -0.904 0.000 1.040 92 Y CB 1.258 39.487 38.460 -0.384 0.000 1.310 92 Y HN 0.359 nan 8.280 nan 0.000 0.460 93 A N 3.102 124.899 122.820 -1.704 0.000 3.051 93 A HA 0.463 4.402 4.320 -0.634 0.000 0.257 93 A C 0.626 178.034 177.584 -0.294 0.000 1.785 93 A CA 0.549 51.931 52.037 -1.092 0.000 1.420 93 A CB -1.625 17.034 19.000 -0.568 0.000 1.063 93 A HN 0.965 nan 8.150 nan 0.000 0.630 94 G N -1.125 107.707 108.800 0.054 0.000 2.535 94 G HA2 0.330 3.910 3.960 -0.634 0.000 0.282 94 G HA3 0.330 3.910 3.960 -0.634 0.000 0.282 94 G C 0.879 176.176 174.900 0.662 0.000 1.350 94 G CA 0.275 45.724 45.100 0.582 0.000 1.039 94 G HN 0.528 nan 8.290 nan 0.000 0.509 95 V N -1.050 119.075 119.914 0.352 0.000 3.174 95 V HA 0.317 4.057 4.120 -0.634 0.000 0.254 95 V C 0.380 176.546 176.094 0.119 0.000 1.120 95 V CA 0.496 62.854 62.300 0.097 0.000 1.114 95 V CB -0.143 31.355 31.823 -0.542 0.000 0.756 95 V HN 0.392 nan 8.190 nan 0.000 0.467 96 L N 1.028 122.368 121.223 0.195 0.000 2.356 96 L HA 0.633 4.593 4.340 -0.634 0.000 0.277 96 L C -1.155 175.865 176.870 0.249 0.000 0.996 96 L CA -0.210 54.749 54.840 0.198 0.000 0.822 96 L CB 1.593 43.813 42.059 0.267 0.000 1.256 96 L HN 0.023 nan 8.230 nan 0.000 0.413 97 D N 4.268 124.775 120.400 0.178 0.000 2.414 97 D HA 0.247 4.506 4.640 -0.634 0.000 0.232 97 D C -0.610 175.716 176.300 0.044 0.000 1.070 97 D CA -0.328 53.769 54.000 0.162 0.000 0.839 97 D CB 1.043 41.850 40.800 0.012 0.000 1.079 97 D HN 0.527 nan 8.370 nan 0.000 0.521 98 R N 3.936 124.421 120.500 -0.025 0.000 2.242 98 R HA 0.318 4.277 4.340 -0.634 0.000 0.334 98 R C -1.070 175.108 176.300 -0.204 0.000 1.071 98 R CA -0.434 55.455 56.100 -0.353 0.000 0.922 98 R CB 0.447 30.526 30.300 -0.370 0.000 1.023 98 R HN 0.185 nan 8.270 nan 0.000 0.458 99 V N 5.816 125.587 119.914 -0.238 0.000 2.333 99 V HA 0.176 3.915 4.120 -0.634 0.000 0.274 99 V C -0.196 175.675 176.094 -0.370 0.000 1.028 99 V CA -0.858 61.290 62.300 -0.254 0.000 0.851 99 V CB 1.148 32.840 31.823 -0.218 0.000 1.000 99 V HN 0.731 nan 8.190 nan 0.000 0.456 100 N N 4.523 123.017 118.700 -0.344 0.000 2.419 100 N HA 0.442 4.801 4.740 -0.634 0.000 0.264 100 N C -0.750 174.520 175.510 -0.400 0.000 1.031 100 N CA -0.090 52.807 53.050 -0.255 0.000 0.951 100 N CB 1.334 39.755 38.487 -0.111 0.000 1.101 100 N HN 0.549 nan 8.380 nan 0.000 0.488 101 Y N -0.317 119.978 120.300 -0.008 0.000 2.618 101 Y HA 0.094 4.263 4.550 -0.635 0.000 0.326 101 Y C 1.757 177.664 175.900 0.012 0.000 1.168 101 Y CA -0.901 57.191 58.100 -0.014 0.000 1.269 101 Y CB 0.683 39.099 38.460 -0.072 0.000 1.388 101 Y HN 0.464 nan 8.280 nan 0.000 0.528 102 D N -0.137 120.384 120.400 0.202 0.000 2.116 102 D HA -0.224 4.035 4.640 -0.634 0.000 0.193 102 D C 0.504 176.881 176.300 0.129 0.000 0.998 102 D CA 2.152 56.226 54.000 0.123 0.000 0.836 102 D CB 0.114 40.970 40.800 0.093 0.000 0.951 102 D HN 0.620 nan 8.370 nan 0.000 0.449 103 Q N -1.284 118.622 119.800 0.175 0.000 2.088 103 Q HA 0.285 4.245 4.340 -0.634 0.000 0.270 103 Q C -1.019 175.148 176.000 0.280 0.000 0.854 103 Q CA -0.364 55.557 55.803 0.197 0.000 1.104 103 Q CB 1.293 30.133 28.738 0.171 0.000 1.251 103 Q HN 0.239 nan 8.270 nan 0.000 0.436 104 M N 0.318 120.062 119.600 0.240 0.000 2.325 104 M HA 0.342 4.442 4.480 -0.634 0.000 0.285 104 M C -1.876 174.544 176.300 0.200 0.000 1.119 104 M CA -0.070 55.354 55.300 0.205 0.000 0.959 104 M CB 2.329 34.978 32.600 0.082 0.000 1.737 104 M HN -0.143 nan 8.290 nan 0.000 0.486 105 S N 3.263 119.077 115.700 0.190 0.000 2.474 105 S HA 0.798 4.887 4.470 -0.634 0.000 0.321 105 S C -1.022 173.684 174.600 0.176 0.000 1.080 105 S CA -0.706 57.563 58.200 0.115 0.000 1.106 105 S CB 1.195 64.455 63.200 0.100 0.000 0.984 105 S HN 0.571 nan 8.310 nan 0.000 0.464 106 V N 4.313 124.299 119.914 0.120 0.000 2.398 106 V HA 0.388 4.127 4.120 -0.634 0.000 0.286 106 V C -1.153 175.018 176.094 0.127 0.000 1.026 106 V CA -0.715 61.739 62.300 0.256 0.000 0.868 106 V CB 0.589 32.612 31.823 0.333 0.000 0.982 106 V HN 0.775 nan 8.190 nan 0.000 0.443 107 Y N 4.139 124.619 120.300 0.299 0.000 2.326 107 Y HA 0.636 4.808 4.550 -0.630 0.000 0.337 107 Y C 0.266 176.258 175.900 0.153 0.000 1.023 107 Y CA -0.624 57.611 58.100 0.225 0.000 1.143 107 Y CB 1.827 40.432 38.460 0.241 0.000 1.183 107 Y HN 0.553 nan 8.280 nan 0.000 0.485 108 V N 0.029 120.057 119.914 0.189 0.000 3.007 108 V HA 0.977 4.716 4.120 -0.634 0.000 0.311 108 V C 0.032 176.157 176.094 0.052 0.000 1.120 108 V CA -1.120 61.251 62.300 0.118 0.000 0.980 108 V CB 1.586 33.453 31.823 0.075 0.000 1.033 108 V HN 0.847 nan 8.190 nan 0.000 0.429 109 G N 2.043 110.859 108.800 0.026 0.000 2.476 109 G HA2 0.622 4.201 3.960 -0.634 0.000 0.269 109 G HA3 0.622 4.201 3.960 -0.634 0.000 0.269 109 G C -0.429 174.434 174.900 -0.062 0.000 1.195 109 G CA -0.757 44.335 45.100 -0.013 0.000 0.843 109 G HN 0.746 nan 8.290 nan 0.000 0.545 110 R N 0.796 121.270 120.500 -0.042 0.000 2.473 110 R HA 0.668 4.628 4.340 -0.634 0.000 0.303 110 R C 0.023 176.438 176.300 0.192 0.000 1.002 110 R CA -0.227 55.809 56.100 -0.106 0.000 0.884 110 R CB 1.300 31.338 30.300 -0.436 0.000 1.173 110 R HN 1.126 nan 8.270 nan 0.000 0.464 111 G N 0.196 109.105 108.800 0.183 0.000 2.356 111 G HA2 -0.025 3.554 3.960 -0.634 0.000 0.300 111 G HA3 -0.025 3.554 3.960 -0.634 0.000 0.300 111 G C -1.436 173.586 174.900 0.204 0.000 1.331 111 G CA -0.986 44.334 45.100 0.367 0.000 0.905 111 G HN 0.172 nan 8.290 nan 0.000 0.587 112 V N 1.679 121.727 119.914 0.222 0.000 2.409 112 V HA 0.457 4.197 4.120 -0.634 0.000 0.270 112 V C 1.613 177.752 176.094 0.075 0.000 1.019 112 V CA 2.196 64.559 62.300 0.106 0.000 1.066 112 V CB 0.088 31.962 31.823 0.086 0.000 1.021 112 V HN 2.586 nan 8.190 nan 0.000 0.476 113 G N 3.403 112.192 108.800 -0.019 0.000 2.231 113 G HA2 0.058 3.638 3.960 -0.634 0.000 0.206 113 G HA3 0.058 3.638 3.960 -0.634 0.000 0.206 113 G C 0.862 175.672 174.900 -0.150 0.000 0.996 113 G CA 0.106 45.138 45.100 -0.113 0.000 0.645 113 G HN 1.831 nan 8.290 nan 0.000 0.498 114 G N -0.086 108.675 108.800 -0.065 0.000 2.614 114 G HA2 0.086 3.666 3.960 -0.634 0.000 0.303 114 G HA3 0.086 3.666 3.960 -0.634 0.000 0.303 114 G C 1.750 176.622 174.900 -0.047 0.000 1.270 114 G CA 1.917 46.985 45.100 -0.053 0.000 0.988 114 G HN 1.856 nan 8.290 nan 0.000 0.551 115 G N -0.030 108.778 108.800 0.013 0.000 2.559 115 G HA2 0.145 3.725 3.960 -0.634 0.000 0.216 115 G HA3 0.145 3.725 3.960 -0.634 0.000 0.216 115 G C 2.117 177.042 174.900 0.041 0.000 1.126 115 G CA 2.059 47.198 45.100 0.066 0.000 0.778 115 G HN 1.934 nan 8.290 nan 0.000 0.543 116 S N 0.150 115.813 115.700 -0.063 0.000 2.474 116 S HA 0.046 4.135 4.470 -0.634 0.000 0.235 116 S C 2.183 176.697 174.600 -0.144 0.000 0.997 116 S CA 0.626 58.739 58.200 -0.144 0.000 0.949 116 S CB -0.231 62.714 63.200 -0.426 0.000 0.766 116 S HN 0.320 nan 8.310 nan 0.000 0.517 117 L N 1.200 122.330 121.223 -0.154 0.000 2.131 117 L HA 0.067 4.026 4.340 -0.634 0.000 0.206 117 L C 2.450 179.128 176.870 -0.321 0.000 1.087 117 L CA 1.066 55.759 54.840 -0.244 0.000 0.767 117 L CB -0.348 41.562 42.059 -0.249 0.000 0.917 117 L HN 0.480 nan 8.230 nan 0.000 0.441 118 V N -3.488 116.299 119.914 -0.213 0.000 3.578 118 V HA 0.193 3.932 4.120 -0.634 0.000 0.290 118 V C 0.629 176.642 176.094 -0.135 0.000 1.376 118 V CA -0.374 61.799 62.300 -0.212 0.000 1.083 118 V CB -0.929 30.798 31.823 -0.160 0.000 0.911 118 V HN 0.463 nan 8.190 nan 0.000 0.433 119 N N 1.453 120.126 118.700 -0.044 0.000 2.413 119 N HA 0.415 4.774 4.740 -0.634 0.000 0.266 119 N C 1.170 176.728 175.510 0.080 0.000 1.238 119 N CA 0.123 53.203 53.050 0.050 0.000 0.972 119 N CB 0.692 39.286 38.487 0.178 0.000 1.210 119 N HN 0.048 nan 8.380 nan 0.000 0.547 120 G N -2.774 106.120 108.800 0.155 0.000 2.920 120 G HA2 0.304 3.884 3.960 -0.634 0.000 0.208 120 G HA3 0.304 3.884 3.960 -0.634 0.000 0.208 120 G C 0.930 175.963 174.900 0.221 0.000 1.159 120 G CA 0.041 45.238 45.100 0.163 0.000 0.784 120 G HN 1.276 nan 8.290 nan 0.000 0.535 121 G N -0.262 108.726 108.800 0.314 0.000 2.189 121 G HA2 -0.329 3.251 3.960 -0.634 0.000 0.267 121 G HA3 -0.329 3.251 3.960 -0.634 0.000 0.267 121 G C 0.532 175.695 174.900 0.439 0.000 0.975 121 G CA 0.409 45.747 45.100 0.396 0.000 0.644 121 G HN 0.449 nan 8.290 nan 0.000 0.537 122 M N 1.043 120.807 119.600 0.274 0.000 2.251 122 M HA 0.457 4.556 4.480 -0.634 0.000 0.346 122 M C 0.589 176.683 176.300 -0.344 0.000 1.499 122 M CA 0.712 56.045 55.300 0.056 0.000 1.128 122 M CB 1.038 33.685 32.600 0.078 0.000 1.809 122 M HN 0.464 nan 8.290 nan 0.000 0.464 123 A N 5.086 127.764 122.820 -0.236 0.000 2.399 123 A HA 0.656 4.596 4.320 -0.634 0.000 0.327 123 A C -0.766 176.665 177.584 -0.256 0.000 1.367 123 A CA -0.593 51.198 52.037 -0.411 0.000 0.842 123 A CB 0.500 19.467 19.000 -0.056 0.000 1.142 123 A HN 0.603 nan 8.150 nan 0.000 0.495 124 V N 2.742 122.448 119.914 -0.346 0.000 2.588 124 V HA 0.300 4.040 4.120 -0.634 0.000 0.304 124 V C -0.052 175.856 176.094 -0.310 0.000 1.042 124 V CA -0.709 61.432 62.300 -0.265 0.000 0.877 124 V CB 1.851 33.494 31.823 -0.301 0.000 0.996 124 V HN 0.945 nan 8.190 nan 0.000 0.425 125 E N 5.653 125.669 120.200 -0.307 0.000 2.366 125 E HA 0.305 4.274 4.350 -0.634 0.000 0.266 125 E C -2.303 174.060 176.600 -0.394 0.000 1.051 125 E CA -1.468 54.636 56.400 -0.495 0.000 0.884 125 E CB 0.949 30.250 29.700 -0.666 0.000 1.006 125 E HN 0.476 nan 8.360 nan 0.000 0.417 126 P HA 0.006 nan 4.420 nan 0.000 0.274 126 P C -0.726 176.537 177.300 -0.062 0.000 1.246 126 P CA -0.332 62.663 63.100 -0.175 0.000 0.795 126 P CB 0.617 32.349 31.700 0.052 0.000 1.006 127 K N 1.570 121.934 120.400 -0.060 0.000 2.453 127 K HA -0.070 3.869 4.320 -0.634 0.000 0.280 127 K C 1.659 178.317 176.600 0.097 0.000 1.045 127 K CA 0.026 56.320 56.287 0.012 0.000 1.059 127 K CB 0.208 32.730 32.500 0.037 0.000 0.901 127 K HN 0.322 nan 8.250 nan 0.000 0.475 128 R N 2.401 122.841 120.500 -0.100 0.000 2.096 128 R HA -0.195 3.764 4.340 -0.634 0.000 0.240 128 R C 1.842 178.163 176.300 0.035 0.000 1.139 128 R CA 2.445 58.386 56.100 -0.266 0.000 0.952 128 R CB -0.205 29.633 30.300 -0.769 0.000 0.854 128 R HN 0.841 nan 8.270 nan 0.000 0.436 129 S N -0.839 114.895 115.700 0.056 0.000 2.419 129 S HA -0.191 3.899 4.470 -0.634 0.000 0.233 129 S C 1.865 176.602 174.600 0.228 0.000 1.016 129 S CA 0.925 59.200 58.200 0.125 0.000 0.974 129 S CB -0.580 62.689 63.200 0.115 0.000 0.786 129 S HN 0.503 nan 8.310 nan 0.000 0.492 130 Y N 1.413 121.798 120.300 0.141 0.000 2.263 130 Y HA 0.096 4.266 4.550 -0.633 0.000 0.292 130 Y C 1.939 177.929 175.900 0.150 0.000 1.130 130 Y CA 0.325 58.525 58.100 0.165 0.000 1.179 130 Y CB -0.775 37.789 38.460 0.173 0.000 0.998 130 Y HN 0.304 nan 8.280 nan 0.000 0.532 131 F N 1.141 121.114 119.950 0.039 0.000 2.126 131 F HA -0.239 3.907 4.527 -0.635 0.000 0.299 131 F C 2.113 177.903 175.800 -0.016 0.000 1.096 131 F CA 2.281 60.292 58.000 0.018 0.000 1.255 131 F CB -0.250 38.898 39.000 0.246 0.000 0.997 131 F HN 0.102 nan 8.300 nan 0.000 0.479 132 E N -0.306 120.037 120.200 0.238 0.000 2.153 132 E HA -0.257 3.712 4.350 -0.634 0.000 0.194 132 E C 2.093 178.674 176.600 -0.032 0.000 0.988 132 E CA 1.224 57.697 56.400 0.121 0.000 0.811 132 E CB -0.276 29.507 29.700 0.139 0.000 0.746 132 E HN 0.605 nan 8.360 nan 0.000 0.466 133 E N 1.084 121.242 120.200 -0.070 0.000 2.072 133 E HA -0.175 3.794 4.350 -0.634 0.000 0.191 133 E C 2.195 178.659 176.600 -0.227 0.000 0.985 133 E CA 1.219 57.554 56.400 -0.109 0.000 0.801 133 E CB -0.057 29.619 29.700 -0.041 0.000 0.750 133 E HN 0.423 nan 8.360 nan 0.000 0.452 134 I N -1.878 118.441 120.570 -0.419 0.000 2.876 134 I HA 0.065 3.854 4.170 -0.634 0.000 0.264 134 I C 0.798 176.692 176.117 -0.371 0.000 1.204 134 I CA 0.572 61.615 61.300 -0.427 0.000 1.485 134 I CB 0.262 37.912 38.000 -0.584 0.000 1.103 134 I HN -0.062 nan 8.210 nan 0.000 0.446 135 L N 2.614 123.574 121.223 -0.439 0.000 2.551 135 L HA 0.387 4.346 4.340 -0.634 0.000 0.248 135 L C -1.789 174.950 176.870 -0.218 0.000 1.509 135 L CA -1.102 53.510 54.840 -0.380 0.000 0.842 135 L CB 1.141 42.831 42.059 -0.615 0.000 1.087 135 L HN -0.097 nan 8.230 nan 0.000 0.512 136 P HA -0.115 nan 4.420 nan 0.000 0.225 136 P C 1.040 178.324 177.300 -0.028 0.000 1.148 136 P CA 1.007 64.074 63.100 -0.054 0.000 0.779 136 P CB 0.184 31.857 31.700 -0.044 0.000 0.780 137 R N -0.613 119.856 120.500 -0.052 0.000 2.310 137 R HA 0.163 4.123 4.340 -0.634 0.000 0.202 137 R C 0.398 176.679 176.300 -0.031 0.000 0.933 137 R CA 0.010 56.089 56.100 -0.035 0.000 1.054 137 R CB 0.074 30.344 30.300 -0.049 0.000 0.985 137 R HN 0.077 nan 8.270 nan 0.000 0.489 138 V N 1.526 121.433 119.914 -0.012 0.000 2.481 138 V HA 0.037 3.776 4.120 -0.634 0.000 0.286 138 V C -0.247 175.928 176.094 0.134 0.000 1.042 138 V CA -0.898 61.423 62.300 0.035 0.000 0.928 138 V CB 1.612 33.494 31.823 0.099 0.000 0.986 138 V HN 0.062 nan 8.190 nan 0.000 0.462 139 D N 2.881 123.350 120.400 0.115 0.000 2.346 139 D HA 0.075 4.334 4.640 -0.634 0.000 0.260 139 D C 1.353 177.765 176.300 0.188 0.000 1.252 139 D CA 0.547 54.632 54.000 0.141 0.000 0.895 139 D CB 1.045 41.921 40.800 0.126 0.000 1.097 139 D HN 0.651 nan 8.370 nan 0.000 0.489 140 S N 1.574 117.406 115.700 0.220 0.000 2.461 140 S HA -0.120 3.969 4.470 -0.634 0.000 0.228 140 S C 1.767 176.507 174.600 0.234 0.000 1.005 140 S CA 0.502 58.858 58.200 0.260 0.000 0.942 140 S CB 0.042 63.424 63.200 0.305 0.000 0.776 140 S HN 0.344 nan 8.310 nan 0.000 0.514 141 S N 2.725 118.521 115.700 0.161 0.000 2.368 141 S HA -0.122 3.968 4.470 -0.634 0.000 0.224 141 S C 1.950 176.628 174.600 0.129 0.000 1.029 141 S CA 1.373 59.656 58.200 0.139 0.000 0.988 141 S CB -0.423 62.830 63.200 0.088 0.000 0.838 141 S HN 0.942 nan 8.310 nan 0.000 0.462 142 E N 1.225 121.497 120.200 0.121 0.000 2.153 142 E HA -0.112 3.857 4.350 -0.634 0.000 0.194 142 E C 1.847 178.509 176.600 0.105 0.000 0.988 142 E CA 0.969 57.426 56.400 0.095 0.000 0.811 142 E CB -0.301 29.520 29.700 0.201 0.000 0.746 142 E HN 0.272 nan 8.360 nan 0.000 0.466 143 M N 0.272 119.941 119.600 0.116 0.000 2.067 143 M HA -0.128 3.971 4.480 -0.634 0.000 0.260 143 M C 1.975 178.210 176.300 -0.108 0.000 1.069 143 M CA 1.677 56.918 55.300 -0.098 0.000 1.117 143 M CB -0.953 31.394 32.600 -0.421 0.000 1.334 143 M HN 0.187 nan 8.290 nan 0.000 0.407 144 Y N 0.437 120.795 120.300 0.098 0.000 2.395 144 Y HA -0.144 4.025 4.550 -0.635 0.000 0.293 144 Y C 2.158 178.098 175.900 0.067 0.000 1.123 144 Y CA 0.946 59.134 58.100 0.146 0.000 1.227 144 Y CB -0.290 38.200 38.460 0.050 0.000 1.012 144 Y HN 0.304 nan 8.280 nan 0.000 0.552 145 D N -0.964 119.508 120.400 0.119 0.000 2.213 145 D HA -0.028 4.232 4.640 -0.634 0.000 0.205 145 D C 2.033 178.299 176.300 -0.057 0.000 0.961 145 D CA 0.922 54.943 54.000 0.035 0.000 0.853 145 D CB 0.142 40.950 40.800 0.012 0.000 0.967 145 D HN 0.280 nan 8.370 nan 0.000 0.496 146 R N -1.417 118.984 120.500 -0.165 0.000 2.493 146 R HA 0.032 3.991 4.340 -0.634 0.000 0.177 146 R C 1.585 177.663 176.300 -0.371 0.000 0.861 146 R CA 0.065 55.953 56.100 -0.354 0.000 1.083 146 R CB 0.063 29.971 30.300 -0.654 0.000 1.328 146 R HN 0.002 nan 8.270 nan 0.000 0.615 147 Y N -0.258 119.968 120.300 -0.122 0.000 2.314 147 Y HA 0.078 4.247 4.550 -0.635 0.000 0.294 147 Y C 1.802 177.562 175.900 -0.233 0.000 1.119 147 Y CA 0.764 58.745 58.100 -0.199 0.000 1.179 147 Y CB -0.259 38.023 38.460 -0.297 0.000 1.025 147 Y HN -0.008 nan 8.280 nan 0.000 0.541 148 F N 0.283 120.186 119.950 -0.078 0.000 2.102 148 F HA -0.099 4.048 4.527 -0.634 0.000 0.298 148 F C -0.444 175.326 175.800 -0.051 0.000 1.105 148 F CA 1.090 59.008 58.000 -0.136 0.000 1.239 148 F CB -2.054 36.747 39.000 -0.332 0.000 0.991 148 F HN 0.035 nan 8.300 nan 0.000 0.474 149 P HA -0.196 nan 4.420 nan 0.000 0.215 149 P C 1.617 178.960 177.300 0.071 0.000 1.157 149 P CA 1.778 64.928 63.100 0.084 0.000 0.868 149 P CB -0.162 31.561 31.700 0.039 0.000 0.788 150 R N -0.070 120.459 120.500 0.049 0.000 2.091 150 R HA -0.152 3.808 4.340 -0.634 0.000 0.238 150 R C 2.058 178.429 176.300 0.119 0.000 1.136 150 R CA 1.887 58.025 56.100 0.063 0.000 0.959 150 R CB -0.875 29.463 30.300 0.065 0.000 0.856 150 R HN 0.076 nan 8.270 nan 0.000 0.437 151 A N 0.772 123.686 122.820 0.157 0.000 1.898 151 A HA -0.214 3.726 4.320 -0.634 0.000 0.216 151 A C 1.894 179.608 177.584 0.216 0.000 1.181 151 A CA 1.707 53.883 52.037 0.232 0.000 0.620 151 A CB -0.839 18.284 19.000 0.204 0.000 0.819 151 A HN 0.598 nan 8.150 nan 0.000 0.442 152 N N -0.274 118.531 118.700 0.175 0.000 2.104 152 N HA -0.171 4.189 4.740 -0.634 0.000 0.190 152 N C 1.939 177.516 175.510 0.112 0.000 1.024 152 N CA 2.016 55.156 53.050 0.150 0.000 0.853 152 N CB -0.218 38.347 38.487 0.130 0.000 1.008 152 N HN 0.361 nan 8.380 nan 0.000 0.424 153 S N -0.805 114.943 115.700 0.079 0.000 2.355 153 S HA -0.035 4.055 4.470 -0.634 0.000 0.222 153 S C 1.917 176.510 174.600 -0.012 0.000 1.031 153 S CA 0.862 59.083 58.200 0.035 0.000 0.993 153 S CB -0.251 62.960 63.200 0.018 0.000 0.859 153 S HN 0.305 nan 8.310 nan 0.000 0.453 154 M N 0.898 120.470 119.600 -0.047 0.000 2.229 154 M HA 0.121 4.221 4.480 -0.634 0.000 0.264 154 M C 1.923 178.102 176.300 -0.202 0.000 1.063 154 M CA 1.003 56.157 55.300 -0.243 0.000 1.114 154 M CB -1.193 31.084 32.600 -0.538 0.000 1.387 154 M HN 0.365 nan 8.290 nan 0.000 0.420 155 L N -0.511 120.735 121.223 0.039 0.000 2.376 155 L HA -0.073 3.887 4.340 -0.634 0.000 0.219 155 L C 0.524 177.439 176.870 0.074 0.000 1.133 155 L CA 0.291 55.222 54.840 0.151 0.000 0.816 155 L CB -0.203 42.045 42.059 0.315 0.000 0.933 155 L HN 0.363 nan 8.230 nan 0.000 0.449 156 R N -1.267 119.254 120.500 0.034 0.000 3.532 156 R HA -0.119 3.841 4.340 -0.634 0.000 0.284 156 R C -0.250 176.074 176.300 0.041 0.000 1.140 156 R CA -0.142 55.968 56.100 0.017 0.000 0.768 156 R CB -2.606 27.682 30.300 -0.020 0.000 1.252 156 R HN 0.055 nan 8.270 nan 0.000 0.454 157 V N 1.728 121.685 119.914 0.071 0.000 2.694 157 V HA -0.010 3.730 4.120 -0.634 0.000 0.306 157 V C 1.036 177.131 176.094 0.001 0.000 1.054 157 V CA 1.041 63.368 62.300 0.046 0.000 1.161 157 V CB 0.701 32.556 31.823 0.054 0.000 0.916 157 V HN 0.597 nan 8.190 nan 0.000 0.490 158 N N 2.446 121.118 118.700 -0.047 0.000 2.831 158 N HA 0.522 4.881 4.740 -0.634 0.000 0.276 158 N C -1.309 174.132 175.510 -0.116 0.000 1.416 158 N CA -1.078 51.977 53.050 0.008 0.000 0.799 158 N CB 1.823 40.391 38.487 0.134 0.000 1.554 158 N HN 0.601 nan 8.380 nan 0.000 0.541 159 H N -0.103 119.124 119.070 0.261 0.000 2.600 159 H HA 0.368 4.543 4.556 -0.634 0.000 0.357 159 H C -0.626 174.629 175.328 -0.122 0.000 1.106 159 H CA -0.664 55.439 56.048 0.093 0.000 1.193 159 H CB 2.148 31.890 29.762 -0.033 0.000 1.594 159 H HN 0.494 nan 8.280 nan 0.000 0.526 160 I N 2.146 122.338 120.570 -0.630 0.000 2.696 160 I HA -0.078 3.711 4.170 -0.634 0.000 0.284 160 I C 0.678 176.538 176.117 -0.428 0.000 1.129 160 I CA 0.076 60.795 61.300 -0.968 0.000 1.410 160 I CB 0.405 37.580 38.000 -1.374 0.000 1.399 160 I HN 0.567 nan 8.210 nan 0.000 0.579 161 D N 5.118 125.424 120.400 -0.156 0.000 2.371 161 D HA -0.044 4.216 4.640 -0.634 0.000 0.256 161 D C 1.076 177.355 176.300 -0.035 0.000 1.193 161 D CA 0.158 54.130 54.000 -0.046 0.000 0.881 161 D CB 1.326 42.175 40.800 0.083 0.000 1.143 161 D HN 0.721 nan 8.370 nan 0.000 0.473 162 T N 1.636 116.102 114.554 -0.148 0.000 2.904 162 T HA -0.158 3.811 4.350 -0.634 0.000 0.267 162 T C 1.781 176.555 174.700 0.122 0.000 1.059 162 T CA 0.825 62.852 62.100 -0.122 0.000 1.137 162 T CB 0.086 68.852 68.868 -0.170 0.000 0.879 162 T HN 0.440 nan 8.240 nan 0.000 0.467 163 K N -0.274 120.193 120.400 0.111 0.000 2.057 163 K HA -0.109 3.831 4.320 -0.634 0.000 0.206 163 K C 2.125 178.834 176.600 0.181 0.000 1.050 163 K CA 1.165 57.532 56.287 0.134 0.000 0.935 163 K CB -0.460 32.106 32.500 0.110 0.000 0.715 163 K HN 0.516 nan 8.250 nan 0.000 0.439 164 W N 0.912 122.253 121.300 0.068 0.000 2.335 164 W HA -0.251 4.031 4.660 -0.630 0.000 0.311 164 W C 1.728 178.334 176.519 0.145 0.000 1.213 164 W CA 1.863 59.267 57.345 0.099 0.000 1.274 164 W CB -0.585 28.933 29.460 0.098 0.000 1.148 164 W HN 0.172 nan 8.180 nan 0.000 0.498 165 F N 1.701 121.641 119.950 -0.016 0.000 2.126 165 F HA -0.239 3.909 4.527 -0.632 0.000 0.299 165 F C 2.213 177.921 175.800 -0.155 0.000 1.096 165 F CA 2.359 60.243 58.000 -0.193 0.000 1.255 165 F CB -0.430 38.510 39.000 -0.101 0.000 0.997 165 F HN -0.198 nan 8.300 nan 0.000 0.479 166 E N 0.293 120.474 120.200 -0.031 0.000 2.150 166 E HA -0.153 3.816 4.350 -0.634 0.000 0.193 166 E C 1.686 178.155 176.600 -0.219 0.000 0.985 166 E CA 1.250 57.576 56.400 -0.123 0.000 0.814 166 E CB -0.377 29.359 29.700 0.059 0.000 0.752 166 E HN 0.546 nan 8.360 nan 0.000 0.466 167 D N -0.208 120.071 120.400 -0.202 0.000 2.271 167 D HA -0.033 4.227 4.640 -0.634 0.000 0.206 167 D C 0.782 176.934 176.300 -0.246 0.000 0.967 167 D CA 0.484 54.381 54.000 -0.171 0.000 0.867 167 D CB -0.042 40.710 40.800 -0.080 0.000 0.960 167 D HN -0.021 nan 8.370 nan 0.000 0.509 168 T N 0.669 114.967 114.554 -0.426 0.000 2.869 168 T HA 0.054 4.023 4.350 -0.634 0.000 0.295 168 T C 1.372 175.908 174.700 -0.274 0.000 0.987 168 T CA -0.383 61.486 62.100 -0.385 0.000 1.109 168 T CB 1.217 69.604 68.868 -0.802 0.000 0.932 168 T HN 0.154 nan 8.240 nan 0.000 0.518 169 E N 3.035 123.100 120.200 -0.225 0.000 2.267 169 E HA -0.170 3.800 4.350 -0.634 0.000 0.197 169 E C 1.044 177.449 176.600 -0.326 0.000 0.998 169 E CA 1.177 57.394 56.400 -0.305 0.000 0.830 169 E CB -0.276 29.190 29.700 -0.390 0.000 0.751 169 E HN 0.853 nan 8.360 nan 0.000 0.491 170 W N -0.350 120.848 121.300 -0.171 0.000 2.699 170 W HA 0.023 4.310 4.660 -0.621 0.000 0.249 170 W C 0.710 177.026 176.519 -0.339 0.000 1.280 170 W CA 0.282 57.506 57.345 -0.202 0.000 1.345 170 W CB 0.014 29.368 29.460 -0.176 0.000 1.128 170 W HN 0.111 nan 8.180 nan 0.000 0.642 171 Y N -0.430 119.859 120.300 -0.019 0.000 2.682 171 Y HA 0.172 4.347 4.550 -0.626 0.000 0.251 171 Y C 1.952 177.596 175.900 -0.426 0.000 1.172 171 Y CA -0.390 57.581 58.100 -0.215 0.000 1.186 171 Y CB -0.147 38.036 38.460 -0.462 0.000 1.216 171 Y HN -0.196 nan 8.280 nan 0.000 0.540 172 K N 1.062 121.375 120.400 -0.146 0.000 2.103 172 K HA -0.233 3.707 4.320 -0.634 0.000 0.207 172 K C 1.774 178.302 176.600 -0.120 0.000 1.048 172 K CA 2.320 58.508 56.287 -0.165 0.000 0.930 172 K CB -0.377 32.040 32.500 -0.138 0.000 0.716 172 K HN 0.487 nan 8.250 nan 0.000 0.444 173 F N -0.369 119.518 119.950 -0.105 0.000 2.161 173 F HA -0.106 4.044 4.527 -0.629 0.000 0.300 173 F C 1.920 177.725 175.800 0.007 0.000 1.089 173 F CA 0.905 58.857 58.000 -0.079 0.000 1.282 173 F CB -0.788 38.148 39.000 -0.105 0.000 1.010 173 F HN -0.016 nan 8.300 nan 0.000 0.485 174 A N 1.171 123.399 122.820 -0.986 0.000 1.897 174 A HA -0.048 3.892 4.320 -0.634 0.000 0.215 174 A C 2.364 179.853 177.584 -0.158 0.000 1.181 174 A CA 1.190 52.888 52.037 -0.564 0.000 0.620 174 A CB -0.700 18.053 19.000 -0.412 0.000 0.821 174 A HN 0.462 nan 8.150 nan 0.000 0.443 175 R N -0.539 119.852 120.500 -0.181 0.000 2.096 175 R HA -0.070 3.890 4.340 -0.634 0.000 0.235 175 R C 1.996 178.272 176.300 -0.041 0.000 1.127 175 R CA 1.355 57.401 56.100 -0.089 0.000 0.968 175 R CB -0.551 29.647 30.300 -0.170 0.000 0.861 175 R HN 0.388 nan 8.270 nan 0.000 0.440 176 V N 0.353 120.240 119.914 -0.044 0.000 2.295 176 V HA -0.249 3.491 4.120 -0.634 0.000 0.246 176 V C 2.189 178.309 176.094 0.042 0.000 1.049 176 V CA 1.942 64.246 62.300 0.006 0.000 1.024 176 V CB -0.377 31.449 31.823 0.005 0.000 0.648 176 V HN 0.283 nan 8.190 nan 0.000 0.447 177 S N -0.978 114.757 115.700 0.059 0.000 2.402 177 S HA -0.188 3.901 4.470 -0.634 0.000 0.229 177 S C 2.124 176.783 174.600 0.097 0.000 1.021 177 S CA 1.528 59.814 58.200 0.145 0.000 0.974 177 S CB -0.352 62.995 63.200 0.245 0.000 0.800 177 S HN 0.546 nan 8.310 nan 0.000 0.484 178 R N 1.317 121.841 120.500 0.041 0.000 2.081 178 R HA -0.084 3.876 4.340 -0.634 0.000 0.235 178 R C 2.268 178.575 176.300 0.012 0.000 1.131 178 R CA 1.445 57.549 56.100 0.006 0.000 0.960 178 R CB -0.252 30.039 30.300 -0.015 0.000 0.856 178 R HN 0.310 nan 8.270 nan 0.000 0.436 179 E N 0.286 120.502 120.200 0.027 0.000 2.072 179 E HA -0.199 3.770 4.350 -0.634 0.000 0.191 179 E C 1.803 178.431 176.600 0.047 0.000 0.985 179 E CA 1.221 57.642 56.400 0.036 0.000 0.801 179 E CB 0.114 29.843 29.700 0.049 0.000 0.750 179 E HN 0.429 nan 8.360 nan 0.000 0.452 180 Q N -0.114 119.722 119.800 0.059 0.000 2.079 180 Q HA -0.063 3.897 4.340 -0.634 0.000 0.200 180 Q C 2.132 178.152 176.000 0.034 0.000 0.974 180 Q CA 1.242 57.081 55.803 0.061 0.000 0.840 180 Q CB -0.358 28.424 28.738 0.073 0.000 0.898 180 Q HN 0.304 nan 8.270 nan 0.000 0.430 181 A N 0.973 123.807 122.820 0.023 0.000 1.933 181 A HA -0.082 3.857 4.320 -0.634 0.000 0.218 181 A C 2.335 179.901 177.584 -0.031 0.000 1.175 181 A CA 1.700 53.721 52.037 -0.026 0.000 0.628 181 A CB -1.009 17.964 19.000 -0.045 0.000 0.814 181 A HN 0.453 nan 8.150 nan 0.000 0.444 182 G N -0.523 108.269 108.800 -0.013 0.000 2.432 182 G HA2 -0.206 3.373 3.960 -0.634 0.000 0.219 182 G HA3 -0.206 3.373 3.960 -0.634 0.000 0.219 182 G C 1.582 176.479 174.900 -0.005 0.000 1.135 182 G CA 0.899 45.990 45.100 -0.014 0.000 0.767 182 G HN 0.433 nan 8.290 nan 0.000 0.550 183 K N 0.660 121.066 120.400 0.010 0.000 2.362 183 K HA 0.092 4.032 4.320 -0.634 0.000 0.200 183 K C 2.235 178.836 176.600 0.003 0.000 1.046 183 K CA 0.825 57.123 56.287 0.017 0.000 0.952 183 K CB 0.014 32.539 32.500 0.043 0.000 0.753 183 K HN 0.311 nan 8.250 nan 0.000 0.466 184 A N 0.033 122.844 122.820 -0.014 0.000 2.379 184 A HA 0.306 4.245 4.320 -0.634 0.000 0.236 184 A C 1.089 178.648 177.584 -0.041 0.000 1.272 184 A CA 0.614 52.633 52.037 -0.030 0.000 0.886 184 A CB -0.015 18.954 19.000 -0.052 0.000 0.962 184 A HN 0.309 nan 8.150 nan 0.000 0.504 185 G N -0.812 107.968 108.800 -0.033 0.000 2.147 185 G HA2 -0.210 3.369 3.960 -0.634 0.000 0.244 185 G HA3 -0.210 3.369 3.960 -0.634 0.000 0.244 185 G C -0.086 174.784 174.900 -0.051 0.000 1.005 185 G CA 0.495 45.573 45.100 -0.036 0.000 0.713 185 G HN 0.489 nan 8.290 nan 0.000 0.515 186 L N 0.064 121.249 121.223 -0.063 0.000 2.334 186 L HA 0.782 4.741 4.340 -0.634 0.000 0.276 186 L C 0.983 177.807 176.870 -0.077 0.000 1.014 186 L CA -0.519 54.271 54.840 -0.083 0.000 0.815 186 L CB 1.928 43.912 42.059 -0.125 0.000 1.268 186 L HN 0.195 nan 8.230 nan 0.000 0.428 187 G N 0.282 109.034 108.800 -0.080 0.000 2.552 187 G HA2 0.714 4.293 3.960 -0.634 0.000 0.324 187 G HA3 0.714 4.293 3.960 -0.634 0.000 0.324 187 G C -0.606 174.226 174.900 -0.114 0.000 1.217 187 G CA -0.312 44.739 45.100 -0.082 0.000 0.989 187 G HN 0.544 nan 8.290 nan 0.000 0.490 188 T N -2.754 111.716 114.554 -0.139 0.000 2.940 188 T HA 0.739 4.708 4.350 -0.634 0.000 0.288 188 T C -0.304 174.263 174.700 -0.222 0.000 1.045 188 T CA -0.536 61.447 62.100 -0.194 0.000 1.018 188 T CB 1.516 70.249 68.868 -0.224 0.000 1.151 188 T HN 1.353 nan 8.240 nan 0.000 0.529 189 V N -1.325 118.444 119.914 -0.242 0.000 2.876 189 V HA 0.734 4.474 4.120 -0.634 0.000 0.312 189 V C -0.764 175.177 176.094 -0.254 0.000 1.085 189 V CA -1.490 60.699 62.300 -0.185 0.000 0.945 189 V CB 1.121 32.938 31.823 -0.011 0.000 1.017 189 V HN 0.893 nan 8.190 nan 0.000 0.428 190 F N 1.738 121.621 119.950 -0.113 0.000 2.471 190 F HA 0.538 4.684 4.527 -0.636 0.000 0.353 190 F C 0.501 176.283 175.800 -0.030 0.000 1.113 190 F CA -0.084 57.820 58.000 -0.159 0.000 1.262 190 F CB 1.486 40.361 39.000 -0.207 0.000 1.146 190 F HN 0.346 nan 8.300 nan 0.000 0.578 191 V N 4.993 125.025 119.914 0.196 0.000 2.370 191 V HA 0.294 4.034 4.120 -0.634 0.000 0.283 191 V C -2.058 174.148 176.094 0.187 0.000 1.023 191 V CA -2.065 60.349 62.300 0.190 0.000 0.857 191 V CB 1.241 33.188 31.823 0.206 0.000 0.985 191 V HN 0.537 nan 8.190 nan 0.000 0.443 192 P HA 0.181 nan 4.420 nan 0.000 0.271 192 P C -0.485 176.887 177.300 0.120 0.000 1.233 192 P CA -0.089 63.017 63.100 0.010 0.000 0.789 192 P CB 0.551 32.161 31.700 -0.150 0.000 0.951 193 N N -0.418 118.369 118.700 0.144 0.000 2.591 193 N HA 0.165 4.524 4.740 -0.634 0.000 0.263 193 N C 0.112 175.660 175.510 0.064 0.000 1.308 193 N CA -0.441 52.690 53.050 0.135 0.000 0.837 193 N CB 1.990 40.538 38.487 0.102 0.000 1.548 193 N HN 0.093 nan 8.380 nan 0.000 0.493 194 V N -0.320 119.668 119.914 0.123 0.000 3.608 194 V HA 0.290 4.029 4.120 -0.634 0.000 0.269 194 V C 0.574 176.650 176.094 -0.031 0.000 1.245 194 V CA 0.278 62.620 62.300 0.070 0.000 1.138 194 V CB -1.104 30.793 31.823 0.123 0.000 0.841 194 V HN 0.551 nan 8.190 nan 0.000 0.451 195 Y N 2.474 122.653 120.300 -0.202 0.000 2.377 195 Y HA 0.338 4.511 4.550 -0.629 0.000 0.330 195 Y C 0.617 176.263 175.900 -0.424 0.000 1.108 195 Y CA -0.656 57.271 58.100 -0.288 0.000 1.308 195 Y CB 0.559 38.838 38.460 -0.302 0.000 1.216 195 Y HN 0.249 nan 8.280 nan 0.000 0.518 196 D N 5.429 125.635 120.400 -0.323 0.000 2.349 196 D HA -0.077 4.183 4.640 -0.634 0.000 0.266 196 D C 0.360 176.691 176.300 0.052 0.000 1.293 196 D CA 0.456 54.376 54.000 -0.133 0.000 0.926 196 D CB 0.086 40.795 40.800 -0.152 0.000 1.090 196 D HN 0.576 nan 8.370 nan 0.000 0.502 197 F N 2.121 122.175 119.950 0.173 0.000 2.407 197 F HA 0.081 4.225 4.527 -0.638 0.000 0.299 197 F C 2.486 178.265 175.800 -0.035 0.000 1.097 197 F CA 0.723 58.797 58.000 0.124 0.000 1.422 197 F CB -0.219 38.834 39.000 0.089 0.000 1.067 197 F HN 0.508 nan 8.300 nan 0.000 0.539 198 G N -1.373 107.511 108.800 0.138 0.000 2.402 198 G HA2 -0.316 3.263 3.960 -0.634 0.000 0.216 198 G HA3 -0.316 3.263 3.960 -0.634 0.000 0.216 198 G C 1.610 176.498 174.900 -0.020 0.000 1.162 198 G CA 0.515 45.618 45.100 0.005 0.000 0.777 198 G HN 0.396 nan 8.290 nan 0.000 0.539 199 Y N 0.517 120.786 120.300 -0.052 0.000 2.181 199 Y HA -0.079 4.090 4.550 -0.636 0.000 0.288 199 Y C 2.796 178.679 175.900 -0.030 0.000 1.146 199 Y CA 2.066 60.132 58.100 -0.056 0.000 1.164 199 Y CB -0.079 38.329 38.460 -0.086 0.000 0.982 199 Y HN 0.183 nan 8.280 nan 0.000 0.515 200 M N -0.187 119.537 119.600 0.207 0.000 2.159 200 M HA -0.301 3.799 4.480 -0.634 0.000 0.263 200 M C 2.058 178.182 176.300 -0.292 0.000 1.063 200 M CA 1.885 57.243 55.300 0.096 0.000 1.110 200 M CB -0.138 32.617 32.600 0.258 0.000 1.374 200 M HN 0.403 nan 8.290 nan 0.000 0.411 201 Q N -0.362 119.074 119.800 -0.607 0.000 2.124 201 Q HA -0.194 3.765 4.340 -0.634 0.000 0.202 201 Q C 2.014 177.799 176.000 -0.358 0.000 0.977 201 Q CA 1.472 56.758 55.803 -0.863 0.000 0.850 201 Q CB -0.181 28.016 28.738 -0.902 0.000 0.901 201 Q HN 0.586 nan 8.270 nan 0.000 0.429 202 R N 0.654 120.960 120.500 -0.324 0.000 2.092 202 R HA -0.114 3.845 4.340 -0.634 0.000 0.231 202 R C 2.058 178.180 176.300 -0.297 0.000 1.119 202 R CA 1.078 57.004 56.100 -0.291 0.000 0.970 202 R CB -0.102 29.987 30.300 -0.351 0.000 0.864 202 R HN 0.374 nan 8.270 nan 0.000 0.440 203 E N 0.793 120.781 120.200 -0.353 0.000 2.058 203 E HA -0.207 3.762 4.350 -0.634 0.000 0.194 203 E C 2.028 178.530 176.600 -0.164 0.000 0.997 203 E CA 1.422 57.661 56.400 -0.268 0.000 0.801 203 E CB -0.142 29.426 29.700 -0.219 0.000 0.746 203 E HN 0.359 nan 8.360 nan 0.000 0.450 204 A N 1.181 123.944 122.820 -0.095 0.000 1.969 204 A HA 0.017 3.957 4.320 -0.634 0.000 0.218 204 A C 2.249 179.919 177.584 0.144 0.000 1.169 204 A CA 1.310 53.401 52.037 0.090 0.000 0.635 204 A CB -0.310 18.933 19.000 0.405 0.000 0.810 204 A HN 0.263 nan 8.150 nan 0.000 0.445 205 A N -1.465 121.391 122.820 0.060 0.000 2.235 205 A HA 0.402 4.342 4.320 -0.634 0.000 0.208 205 A C 1.719 179.307 177.584 0.006 0.000 1.172 205 A CA 1.119 53.184 52.037 0.046 0.000 0.786 205 A CB -1.080 17.927 19.000 0.011 0.000 0.804 205 A HN 1.850 nan 8.150 nan 0.000 0.479 206 G N -0.695 108.093 108.800 -0.020 0.000 2.160 206 G HA2 -0.278 3.301 3.960 -0.634 0.000 0.251 206 G HA3 -0.278 3.301 3.960 -0.634 0.000 0.251 206 G C 0.422 175.284 174.900 -0.064 0.000 1.008 206 G CA 0.707 45.788 45.100 -0.032 0.000 0.724 206 G HN 0.615 nan 8.290 nan 0.000 0.514 207 E N -1.333 118.802 120.200 -0.108 0.000 2.364 207 E HA 0.347 4.317 4.350 -0.634 0.000 0.196 207 E C 1.094 177.599 176.600 -0.157 0.000 0.990 207 E CA 0.902 57.232 56.400 -0.117 0.000 0.886 207 E CB 0.730 30.354 29.700 -0.125 0.000 0.866 207 E HN 0.937 nan 8.360 nan 0.000 0.493 208 V N -2.062 117.712 119.914 -0.233 0.000 3.159 208 V HA 0.505 4.244 4.120 -0.634 0.000 0.308 208 V C -2.918 173.036 176.094 -0.233 0.000 1.190 208 V CA -3.051 59.087 62.300 -0.270 0.000 1.037 208 V CB 1.315 32.831 31.823 -0.511 0.000 1.060 208 V HN -0.214 nan 8.190 nan 0.000 0.437 209 P HA 0.190 nan 4.420 nan 0.000 0.262 209 P C -0.596 176.665 177.300 -0.065 0.000 1.182 209 P CA 0.282 63.272 63.100 -0.184 0.000 0.761 209 P CB 0.169 31.594 31.700 -0.458 0.000 0.795 210 K N 1.449 121.861 120.400 0.020 0.000 2.154 210 K HA 0.351 4.291 4.320 -0.634 0.000 0.264 210 K C 0.857 177.594 176.600 0.228 0.000 1.008 210 K CA -0.235 56.097 56.287 0.075 0.000 0.937 210 K CB 0.962 33.447 32.500 -0.025 0.000 1.002 210 K HN 0.343 nan 8.250 nan 0.000 0.469 211 S N 0.572 116.425 115.700 0.254 0.000 4.098 211 S HA 0.103 4.192 4.470 -0.634 0.000 0.193 211 S C 1.624 176.306 174.600 0.137 0.000 1.049 211 S CA 0.460 58.818 58.200 0.264 0.000 1.034 211 S CB -0.446 62.978 63.200 0.373 0.000 1.380 211 S HN 0.609 nan 8.310 nan 0.000 0.629 212 A N 1.769 124.666 122.820 0.128 0.000 1.978 212 A HA 0.140 4.079 4.320 -0.634 0.000 0.220 212 A C 1.645 179.125 177.584 -0.174 0.000 1.170 212 A CA 1.359 53.311 52.037 -0.142 0.000 0.636 212 A CB -0.808 17.867 19.000 -0.542 0.000 0.810 212 A HN 0.576 nan 8.150 nan 0.000 0.448 213 L N -1.395 119.671 121.223 -0.262 0.000 2.629 213 L HA 0.255 4.214 4.340 -0.634 0.000 0.230 213 L C 1.158 177.858 176.870 -0.283 0.000 1.151 213 L CA 0.412 54.872 54.840 -0.634 0.000 0.924 213 L CB -0.048 41.293 42.059 -1.197 0.000 1.137 213 L HN 0.381 nan 8.230 nan 0.000 0.457 214 A N -0.100 122.683 122.820 -0.061 0.000 2.812 214 A HA 0.311 4.251 4.320 -0.634 0.000 0.294 214 A C 0.988 178.609 177.584 0.062 0.000 1.014 214 A CA 0.203 52.267 52.037 0.044 0.000 1.024 214 A CB -0.345 18.695 19.000 0.066 0.000 1.162 214 A HN 0.393 nan 8.150 nan 0.000 0.511 215 T N -1.670 112.912 114.554 0.046 0.000 3.720 215 T HA -0.210 3.760 4.350 -0.634 0.000 0.381 215 T C -0.366 174.339 174.700 0.009 0.000 0.763 215 T CA 1.715 63.827 62.100 0.021 0.000 1.957 215 T CB -2.316 66.572 68.868 0.033 0.000 1.767 215 T HN 0.728 nan 8.240 nan 0.000 0.743 216 E N -0.857 119.344 120.200 0.001 0.000 2.187 216 E HA 0.714 4.683 4.350 -0.634 0.000 0.268 216 E C 0.372 176.933 176.600 -0.065 0.000 0.896 216 E CA -0.588 55.805 56.400 -0.011 0.000 0.766 216 E CB 2.407 32.137 29.700 0.050 0.000 1.142 216 E HN 0.219 nan 8.360 nan 0.000 0.408 217 V N 3.484 123.312 119.914 -0.143 0.000 4.496 217 V HA 0.054 3.794 4.120 -0.634 0.000 0.146 217 V C 0.696 176.637 176.094 -0.255 0.000 1.365 217 V CA 0.113 62.319 62.300 -0.156 0.000 1.001 217 V CB -0.141 31.617 31.823 -0.108 0.000 1.083 217 V HN 0.755 nan 8.190 nan 0.000 0.624 218 I N 0.358 120.712 120.570 -0.359 0.000 2.928 218 I HA -0.030 3.759 4.170 -0.634 0.000 0.266 218 I C 0.959 176.835 176.117 -0.402 0.000 1.234 218 I CA 1.335 62.384 61.300 -0.419 0.000 1.483 218 I CB 0.208 37.908 38.000 -0.500 0.000 1.097 218 I HN 0.608 nan 8.210 nan 0.000 0.455 219 Y N 0.840 121.028 120.300 -0.186 0.000 2.658 219 Y HA 0.552 4.722 4.550 -0.633 0.000 0.276 219 Y C 0.811 176.403 175.900 -0.514 0.000 1.167 219 Y CA -0.360 57.598 58.100 -0.236 0.000 1.230 219 Y CB -0.267 38.138 38.460 -0.092 0.000 1.144 219 Y HN 0.101 nan 8.280 nan 0.000 0.529 220 G N 0.698 109.139 108.800 -0.599 0.000 2.587 220 G HA2 -0.164 3.416 3.960 -0.634 0.000 0.686 220 G HA3 -0.164 3.416 3.960 -0.634 0.000 0.686 220 G C -1.230 173.275 174.900 -0.658 0.000 1.236 220 G CA -1.273 43.068 45.100 -1.266 0.000 0.820 220 G HN 0.261 nan 8.290 nan 0.000 0.645 221 N N 0.718 119.124 118.700 -0.490 0.000 2.417 221 N HA 0.407 4.766 4.740 -0.634 0.000 0.274 221 N C 1.033 176.611 175.510 0.114 0.000 0.987 221 N CA -0.996 52.016 53.050 -0.063 0.000 0.912 221 N CB 1.195 39.699 38.487 0.028 0.000 1.177 221 N HN 0.471 nan 8.380 nan 0.000 0.490 222 N N 1.138 119.904 118.700 0.110 0.000 2.512 222 N HA -0.046 4.314 4.740 -0.634 0.000 0.183 222 N C -0.502 174.593 175.510 -0.692 0.000 1.073 222 N CA 1.038 53.989 53.050 -0.165 0.000 0.911 222 N CB 0.081 38.412 38.487 -0.259 0.000 0.964 222 N HN 0.601 nan 8.380 nan 0.000 0.447 223 H N -2.913 116.157 119.070 -0.000 0.000 3.008 223 H HA 0.338 4.513 4.556 -0.636 0.000 0.354 223 H C 1.003 176.039 175.328 -0.486 0.000 1.252 223 H CA 0.058 55.965 56.048 -0.235 0.000 1.117 223 H CB 1.607 31.262 29.762 -0.179 0.000 1.857 223 H HN 0.054 nan 8.280 nan 0.000 0.547 224 G N 1.045 109.355 108.800 -0.816 0.000 2.550 224 G HA2 -0.311 3.269 3.960 -0.634 0.000 0.233 224 G HA3 -0.311 3.269 3.960 -0.634 0.000 0.233 224 G C 0.524 174.668 174.900 -1.261 0.000 1.170 224 G CA 0.694 45.010 45.100 -1.307 0.000 0.693 224 G HN 0.570 nan 8.290 nan 0.000 0.512 225 K N 1.521 121.427 120.400 -0.823 0.000 2.312 225 K HA 0.403 4.342 4.320 -0.634 0.000 0.287 225 K C -0.004 176.445 176.600 -0.253 0.000 1.062 225 K CA -0.307 55.740 56.287 -0.400 0.000 0.934 225 K CB 0.357 32.820 32.500 -0.062 0.000 1.027 225 K HN 0.109 nan 8.250 nan 0.000 0.478 226 Q N 2.787 122.468 119.800 -0.198 0.000 2.844 226 Q HA 0.070 4.030 4.340 -0.634 0.000 0.235 226 Q C -0.272 175.668 176.000 -0.100 0.000 1.336 226 Q CA -0.078 55.642 55.803 -0.137 0.000 1.026 226 Q CB 0.391 29.061 28.738 -0.113 0.000 1.513 226 Q HN 0.674 nan 8.270 nan 0.000 0.577 227 S N -0.292 115.343 115.700 -0.108 0.000 2.608 227 S HA 0.263 4.353 4.470 -0.634 0.000 0.261 227 S C 1.400 175.923 174.600 -0.127 0.000 1.314 227 S CA -0.683 57.441 58.200 -0.128 0.000 0.992 227 S CB 0.911 64.044 63.200 -0.112 0.000 0.935 227 S HN 0.574 nan 8.310 nan 0.000 0.564 228 L N 0.810 121.913 121.223 -0.200 0.000 2.265 228 L HA -0.122 3.838 4.340 -0.634 0.000 0.215 228 L C 2.104 178.924 176.870 -0.082 0.000 1.117 228 L CA 1.313 56.050 54.840 -0.171 0.000 0.782 228 L CB -0.826 41.026 42.059 -0.346 0.000 0.914 228 L HN 0.789 nan 8.230 nan 0.000 0.441 229 D N -0.076 120.285 120.400 -0.064 0.000 2.219 229 D HA -0.212 4.048 4.640 -0.634 0.000 0.205 229 D C 1.819 178.102 176.300 -0.027 0.000 0.970 229 D CA 1.181 55.166 54.000 -0.024 0.000 0.851 229 D CB -0.155 40.656 40.800 0.018 0.000 0.943 229 D HN 0.201 nan 8.370 nan 0.000 0.488 230 K N -0.448 119.927 120.400 -0.042 0.000 2.314 230 K HA 0.063 4.003 4.320 -0.634 0.000 0.198 230 K C 1.873 178.438 176.600 -0.059 0.000 1.045 230 K CA 1.216 57.473 56.287 -0.050 0.000 0.988 230 K CB 0.379 32.839 32.500 -0.067 0.000 0.783 230 K HN 0.408 nan 8.250 nan 0.000 0.484 231 T N -2.609 111.913 114.554 -0.055 0.000 3.507 231 T HA 0.038 4.008 4.350 -0.634 0.000 0.197 231 T C 1.625 176.276 174.700 -0.081 0.000 0.847 231 T CA -0.080 61.969 62.100 -0.086 0.000 1.531 231 T CB -0.862 67.959 68.868 -0.078 0.000 1.834 231 T HN -0.037 nan 8.240 nan 0.000 0.433 232 Y N 1.836 122.088 120.300 -0.079 0.000 2.165 232 Y HA 0.104 4.273 4.550 -0.635 0.000 0.286 232 Y C 2.541 178.392 175.900 -0.081 0.000 1.155 232 Y CA 1.310 59.364 58.100 -0.075 0.000 1.164 232 Y CB -0.542 37.867 38.460 -0.086 0.000 0.978 232 Y HN 0.177 nan 8.280 nan 0.000 0.513 233 L N -1.330 119.934 121.223 0.067 0.000 2.109 233 L HA -0.161 3.798 4.340 -0.634 0.000 0.207 233 L C 2.650 179.514 176.870 -0.010 0.000 1.086 233 L CA 0.826 55.671 54.840 0.009 0.000 0.760 233 L CB -0.772 41.274 42.059 -0.021 0.000 0.910 233 L HN 0.190 nan 8.230 nan 0.000 0.437 234 A N 0.266 123.074 122.820 -0.019 0.000 1.933 234 A HA -0.164 3.776 4.320 -0.634 0.000 0.218 234 A C 2.527 180.091 177.584 -0.035 0.000 1.175 234 A CA 1.763 53.782 52.037 -0.030 0.000 0.628 234 A CB -0.612 18.365 19.000 -0.039 0.000 0.814 234 A HN 0.388 nan 8.150 nan 0.000 0.444 235 A N -0.262 122.533 122.820 -0.042 0.000 1.930 235 A HA 0.240 4.179 4.320 -0.634 0.000 0.217 235 A C 2.488 180.053 177.584 -0.031 0.000 1.175 235 A CA 1.832 53.840 52.037 -0.048 0.000 0.627 235 A CB -0.945 18.007 19.000 -0.080 0.000 0.815 235 A HN 0.998 nan 8.150 nan 0.000 0.443 236 A N 0.028 122.839 122.820 -0.015 0.000 1.877 236 A HA -0.078 3.861 4.320 -0.634 0.000 0.216 236 A C 2.132 179.699 177.584 -0.029 0.000 1.186 236 A CA 1.542 53.567 52.037 -0.020 0.000 0.620 236 A CB -0.681 18.308 19.000 -0.018 0.000 0.822 236 A HN 0.472 nan 8.150 nan 0.000 0.443 237 L N -0.612 120.594 121.223 -0.028 0.000 2.131 237 L HA -0.131 3.829 4.340 -0.634 0.000 0.210 237 L C 2.669 179.522 176.870 -0.028 0.000 1.092 237 L CA 0.930 55.753 54.840 -0.029 0.000 0.759 237 L CB -0.689 41.353 42.059 -0.028 0.000 0.903 237 L HN 0.501 nan 8.230 nan 0.000 0.435 238 G N -0.566 108.217 108.800 -0.029 0.000 2.559 238 G HA2 -0.216 3.363 3.960 -0.634 0.000 0.216 238 G HA3 -0.216 3.363 3.960 -0.634 0.000 0.216 238 G C 1.627 176.511 174.900 -0.027 0.000 1.126 238 G CA 1.048 46.132 45.100 -0.028 0.000 0.778 238 G HN 0.471 nan 8.290 nan 0.000 0.543 239 T N -2.715 111.822 114.554 -0.028 0.000 3.035 239 T HA 0.293 4.262 4.350 -0.634 0.000 0.268 239 T C 2.111 176.797 174.700 -0.023 0.000 1.109 239 T CA 1.021 63.105 62.100 -0.026 0.000 1.119 239 T CB -0.131 68.719 68.868 -0.030 0.000 0.900 239 T HN 1.233 nan 8.240 nan 0.000 0.503 240 G N 1.508 110.295 108.800 -0.023 0.000 2.184 240 G HA2 -0.252 3.327 3.960 -0.634 0.000 0.264 240 G HA3 -0.252 3.327 3.960 -0.634 0.000 0.264 240 G C 0.806 175.695 174.900 -0.020 0.000 0.975 240 G CA 0.410 45.498 45.100 -0.020 0.000 0.642 240 G HN 0.526 nan 8.290 nan 0.000 0.536 241 K N -0.286 120.100 120.400 -0.024 0.000 2.387 241 K HA 0.474 4.414 4.320 -0.634 0.000 0.203 241 K C 0.225 176.805 176.600 -0.033 0.000 1.030 241 K CA 0.205 56.478 56.287 -0.024 0.000 1.099 241 K CB 1.586 34.072 32.500 -0.024 0.000 0.863 241 K HN 0.343 nan 8.250 nan 0.000 0.529 242 V N 1.578 121.470 119.914 -0.037 0.000 2.588 242 V HA 0.387 4.127 4.120 -0.634 0.000 0.304 242 V C -0.045 176.023 176.094 -0.043 0.000 1.042 242 V CA -0.820 61.453 62.300 -0.045 0.000 0.877 242 V CB 1.953 33.746 31.823 -0.051 0.000 0.996 242 V HN 0.291 nan 8.190 nan 0.000 0.425 243 T N 2.129 116.653 114.554 -0.050 0.000 2.916 243 T HA 0.844 4.814 4.350 -0.634 0.000 0.292 243 T C -0.910 173.752 174.700 -0.063 0.000 1.055 243 T CA -0.707 61.362 62.100 -0.053 0.000 1.009 243 T CB 2.002 70.837 68.868 -0.054 0.000 1.118 243 T HN 0.381 nan 8.240 nan 0.000 0.497 244 I N 1.461 121.991 120.570 -0.066 0.000 2.447 244 I HA 0.350 4.140 4.170 -0.634 0.000 0.287 244 I C -0.426 175.631 176.117 -0.099 0.000 1.023 244 I CA -0.807 60.450 61.300 -0.072 0.000 1.083 244 I CB 2.210 40.181 38.000 -0.048 0.000 1.245 244 I HN 0.600 nan 8.210 nan 0.000 0.434 245 Q N 4.543 124.250 119.800 -0.155 0.000 2.322 245 Q HA 0.469 4.428 4.340 -0.634 0.000 0.265 245 Q C -0.247 175.670 176.000 -0.138 0.000 0.985 245 Q CA -0.699 54.944 55.803 -0.266 0.000 0.849 245 Q CB 2.608 30.955 28.738 -0.652 0.000 1.274 245 Q HN 0.744 nan 8.270 nan 0.000 0.449 246 T N -1.440 113.120 114.554 0.009 0.000 2.948 246 T HA 0.502 4.471 4.350 -0.634 0.000 0.285 246 T C 0.574 175.433 174.700 0.265 0.000 1.019 246 T CA -0.788 61.377 62.100 0.108 0.000 1.013 246 T CB 0.550 69.439 68.868 0.036 0.000 1.117 246 T HN 0.711 nan 8.240 nan 0.000 0.533 247 L N -0.238 121.094 121.223 0.181 0.000 3.839 247 L HA -0.170 3.789 4.340 -0.634 0.000 0.416 247 L C -0.744 176.194 176.870 0.113 0.000 1.195 247 L CA 0.483 55.414 54.840 0.152 0.000 0.946 247 L CB -2.182 39.917 42.059 0.067 0.000 1.891 247 L HN 0.781 nan 8.230 nan 0.000 0.963 248 H N -0.177 118.921 119.070 0.047 0.000 2.638 248 H HA 0.493 4.669 4.556 -0.634 0.000 0.317 248 H C 0.028 175.379 175.328 0.039 0.000 1.006 248 H CA -0.203 55.865 56.048 0.033 0.000 1.222 248 H CB 1.346 31.119 29.762 0.017 0.000 1.419 248 H HN 0.180 nan 8.280 nan 0.000 0.489 249 Q N 3.470 123.327 119.800 0.096 0.000 2.325 249 Q HA 0.395 4.355 4.340 -0.634 0.000 0.262 249 Q C -0.907 175.126 176.000 0.055 0.000 0.968 249 Q CA -0.941 54.907 55.803 0.076 0.000 0.877 249 Q CB 1.158 29.939 28.738 0.072 0.000 1.253 249 Q HN 0.434 nan 8.270 nan 0.000 0.448 250 V N 5.431 125.373 119.914 0.047 0.000 2.521 250 V HA 0.021 3.760 4.120 -0.634 0.000 0.286 250 V C 0.707 176.810 176.094 0.015 0.000 1.034 250 V CA 0.225 62.543 62.300 0.029 0.000 1.045 250 V CB 0.988 32.821 31.823 0.017 0.000 0.974 250 V HN 0.824 nan 8.190 nan 0.000 0.480 251 K N 2.345 122.752 120.400 0.012 0.000 2.306 251 K HA 0.181 4.120 4.320 -0.634 0.000 0.200 251 K C 0.781 177.379 176.600 -0.003 0.000 1.083 251 K CA 0.777 57.070 56.287 0.009 0.000 0.959 251 K CB 0.526 33.033 32.500 0.013 0.000 0.994 251 K HN 0.824 nan 8.250 nan 0.000 0.492 252 T N -1.167 113.383 114.554 -0.007 0.000 2.903 252 T HA 0.736 4.706 4.350 -0.634 0.000 0.299 252 T C -0.367 174.319 174.700 -0.023 0.000 1.093 252 T CA -0.808 61.278 62.100 -0.022 0.000 1.002 252 T CB 1.816 70.674 68.868 -0.016 0.000 1.127 252 T HN -0.062 nan 8.240 nan 0.000 0.488 253 I N 2.095 122.638 120.570 -0.045 0.000 2.498 253 I HA 0.632 4.421 4.170 -0.634 0.000 0.290 253 I C -0.049 176.050 176.117 -0.030 0.000 1.032 253 I CA -1.065 60.210 61.300 -0.041 0.000 1.073 253 I CB 2.085 40.023 38.000 -0.103 0.000 1.251 253 I HN 0.824 nan 8.210 nan 0.000 0.426 254 R N 3.994 124.510 120.500 0.027 0.000 2.808 254 R HA 0.613 4.573 4.340 -0.634 0.000 0.272 254 R C -1.276 175.073 176.300 0.081 0.000 0.995 254 R CA -1.009 55.106 56.100 0.025 0.000 0.917 254 R CB 1.777 32.082 30.300 0.008 0.000 1.217 254 R HN 0.520 nan 8.270 nan 0.000 0.471 255 Q N 1.719 121.531 119.800 0.021 0.000 2.274 255 Q HA 0.204 4.164 4.340 -0.634 0.000 0.256 255 Q C -0.494 175.435 176.000 -0.119 0.000 0.927 255 Q CA -0.416 55.315 55.803 -0.121 0.000 0.939 255 Q CB 1.480 30.197 28.738 -0.036 0.000 1.201 255 Q HN 0.730 nan 8.270 nan 0.000 0.426 256 T N 1.421 115.862 114.554 -0.188 0.000 2.734 256 T HA 0.113 4.083 4.350 -0.634 0.000 0.314 256 T C 0.804 175.439 174.700 -0.108 0.000 1.057 256 T CA -0.534 61.494 62.100 -0.120 0.000 1.047 256 T CB 0.563 69.356 68.868 -0.124 0.000 0.991 256 T HN 0.620 nan 8.240 nan 0.000 0.540 257 K N 0.828 121.183 120.400 -0.075 0.000 2.439 257 K HA -0.051 3.889 4.320 -0.634 0.000 0.197 257 K C 1.365 177.922 176.600 -0.071 0.000 1.041 257 K CA 0.947 57.198 56.287 -0.060 0.000 0.970 257 K CB -0.136 32.338 32.500 -0.044 0.000 0.773 257 K HN 0.850 nan 8.250 nan 0.000 0.479 258 D N -1.220 119.123 120.400 -0.094 0.000 2.395 258 D HA 0.048 4.308 4.640 -0.634 0.000 0.213 258 D C 0.908 177.131 176.300 -0.128 0.000 1.110 258 D CA 0.522 54.464 54.000 -0.098 0.000 0.835 258 D CB 0.533 41.276 40.800 -0.096 0.000 0.965 258 D HN 0.168 nan 8.370 nan 0.000 0.505 259 G N -0.033 108.662 108.800 -0.175 0.000 2.176 259 G HA2 -0.138 3.442 3.960 -0.634 0.000 0.232 259 G HA3 -0.138 3.442 3.960 -0.634 0.000 0.232 259 G C 0.566 175.213 174.900 -0.421 0.000 0.986 259 G CA -0.152 44.810 45.100 -0.231 0.000 0.643 259 G HN 0.733 nan 8.290 nan 0.000 0.522 260 G N -0.981 107.576 108.800 -0.405 0.000 2.502 260 G HA2 0.634 4.213 3.960 -0.634 0.000 0.305 260 G HA3 0.634 4.213 3.960 -0.634 0.000 0.305 260 G C -0.732 173.775 174.900 -0.656 0.000 1.190 260 G CA -0.923 43.926 45.100 -0.417 0.000 0.933 260 G HN 0.257 nan 8.290 nan 0.000 0.503 261 Y N -0.570 119.721 120.300 -0.015 0.000 2.409 261 Y HA 0.608 4.778 4.550 -0.634 0.000 0.339 261 Y C 0.571 176.469 175.900 -0.004 0.000 1.033 261 Y CA -0.539 57.541 58.100 -0.033 0.000 1.094 261 Y CB 2.301 40.722 38.460 -0.066 0.000 1.210 261 Y HN 0.691 nan 8.280 nan 0.000 0.456 262 A N 3.956 126.851 122.820 0.125 0.000 2.365 262 A HA 0.873 4.812 4.320 -0.634 0.000 0.318 262 A C -1.465 176.160 177.584 0.068 0.000 1.091 262 A CA -0.744 51.342 52.037 0.081 0.000 0.763 262 A CB 0.844 19.870 19.000 0.044 0.000 1.248 262 A HN 0.759 nan 8.150 nan 0.000 0.442 263 L N 1.719 122.976 121.223 0.056 0.000 2.346 263 L HA 0.586 4.545 4.340 -0.634 0.000 0.276 263 L C 0.336 177.226 176.870 0.033 0.000 1.006 263 L CA -0.773 54.090 54.840 0.038 0.000 0.817 263 L CB 2.342 44.424 42.059 0.039 0.000 1.272 263 L HN 0.843 nan 8.230 nan 0.000 0.421 264 T N -0.206 114.362 114.554 0.023 0.000 2.806 264 T HA 0.644 4.613 4.350 -0.634 0.000 0.290 264 T C -0.340 174.376 174.700 0.026 0.000 0.966 264 T CA -0.656 61.458 62.100 0.023 0.000 1.060 264 T CB 1.482 70.358 68.868 0.014 0.000 0.927 264 T HN 0.244 nan 8.240 nan 0.000 0.485 265 V N 3.192 123.126 119.914 0.033 0.000 2.525 265 V HA 0.406 4.146 4.120 -0.634 0.000 0.299 265 V C -0.197 175.900 176.094 0.006 0.000 1.034 265 V CA -0.907 61.420 62.300 0.046 0.000 0.863 265 V CB 1.654 33.539 31.823 0.104 0.000 0.999 265 V HN 0.963 nan 8.190 nan 0.000 0.423 266 E N 3.168 123.356 120.200 -0.020 0.000 2.197 266 E HA 0.396 4.366 4.350 -0.634 0.000 0.281 266 E C -0.648 175.851 176.600 -0.169 0.000 0.995 266 E CA -0.421 55.937 56.400 -0.071 0.000 0.808 266 E CB 2.100 31.771 29.700 -0.047 0.000 1.093 266 E HN 0.638 nan 8.360 nan 0.000 0.394 267 Q N 3.334 122.978 119.800 -0.259 0.000 2.290 267 Q HA 0.271 4.231 4.340 -0.634 0.000 0.259 267 Q C -1.058 174.822 176.000 -0.199 0.000 0.941 267 Q CA -0.362 55.197 55.803 -0.405 0.000 0.912 267 Q CB 0.873 29.294 28.738 -0.529 0.000 1.244 267 Q HN 0.354 nan 8.270 nan 0.000 0.441 268 K N 1.827 122.139 120.400 -0.148 0.000 2.352 268 K HA 0.309 4.249 4.320 -0.634 0.000 0.240 268 K C -1.018 175.544 176.600 -0.063 0.000 1.017 268 K CA -0.893 55.340 56.287 -0.091 0.000 0.851 268 K CB 1.189 33.639 32.500 -0.084 0.000 1.261 268 K HN 0.708 nan 8.250 nan 0.000 0.451 269 D N -1.327 119.044 120.400 -0.047 0.000 2.478 269 D HA 0.024 4.283 4.640 -0.634 0.000 0.263 269 D C 0.842 177.121 176.300 -0.034 0.000 1.153 269 D CA -0.489 53.490 54.000 -0.035 0.000 1.038 269 D CB 0.249 41.036 40.800 -0.022 0.000 1.120 269 D HN 0.563 nan 8.370 nan 0.000 0.564 270 T N -3.637 110.875 114.554 -0.070 0.000 3.051 270 T HA -0.089 3.881 4.350 -0.634 0.000 0.269 270 T C 0.545 175.187 174.700 -0.097 0.000 1.127 270 T CA 0.628 62.609 62.100 -0.198 0.000 1.107 270 T CB -0.308 68.383 68.868 -0.296 0.000 0.898 270 T HN 0.331 nan 8.240 nan 0.000 0.517 271 D N 1.229 121.662 120.400 0.055 0.000 2.340 271 D HA 0.224 4.483 4.640 -0.634 0.000 0.220 271 D C 1.694 178.127 176.300 0.221 0.000 1.039 271 D CA 0.737 54.826 54.000 0.148 0.000 0.866 271 D CB -0.027 40.830 40.800 0.095 0.000 0.913 271 D HN 0.622 nan 8.370 nan 0.000 0.523 272 G N 1.421 110.296 108.800 0.125 0.000 2.157 272 G HA2 -0.286 3.293 3.960 -0.634 0.000 0.248 272 G HA3 -0.286 3.293 3.960 -0.634 0.000 0.248 272 G C 0.235 175.050 174.900 -0.142 0.000 0.979 272 G CA -0.239 44.760 45.100 -0.168 0.000 0.650 272 G HN 0.280 nan 8.290 nan 0.000 0.529 273 K N -0.016 120.347 120.400 -0.061 0.000 2.298 273 K HA 0.452 4.392 4.320 -0.634 0.000 0.280 273 K C 0.295 176.852 176.600 -0.071 0.000 1.032 273 K CA -0.781 55.470 56.287 -0.060 0.000 0.958 273 K CB 1.509 33.990 32.500 -0.032 0.000 0.978 273 K HN 0.152 nan 8.250 nan 0.000 0.472 274 L N 4.838 126.018 121.223 -0.073 0.000 2.418 274 L HA -0.001 3.959 4.340 -0.634 0.000 0.274 274 L C 0.578 177.413 176.870 -0.059 0.000 1.135 274 L CA 0.618 55.415 54.840 -0.071 0.000 0.870 274 L CB 0.148 42.169 42.059 -0.063 0.000 1.154 274 L HN 0.685 nan 8.230 nan 0.000 0.462 275 L N 4.947 126.130 121.223 -0.067 0.000 2.253 275 L HA 0.460 4.420 4.340 -0.634 0.000 0.205 275 L C 0.720 177.559 176.870 -0.051 0.000 1.078 275 L CA 0.526 55.332 54.840 -0.056 0.000 0.805 275 L CB -0.328 41.694 42.059 -0.062 0.000 0.963 275 L HN 0.785 nan 8.230 nan 0.000 0.459 276 A N -0.900 121.880 122.820 -0.066 0.000 2.599 276 A HA 0.630 4.569 4.320 -0.634 0.000 0.294 276 A C -0.956 176.595 177.584 -0.056 0.000 1.055 276 A CA -0.370 51.638 52.037 -0.050 0.000 0.683 276 A CB 1.226 20.202 19.000 -0.039 0.000 1.278 276 A HN -0.097 nan 8.150 nan 0.000 0.412 277 T N 1.798 116.334 114.554 -0.030 0.000 2.812 277 T HA 0.651 4.620 4.350 -0.634 0.000 0.282 277 T C -0.707 173.993 174.700 0.000 0.000 0.990 277 T CA -0.298 61.790 62.100 -0.020 0.000 0.960 277 T CB 1.219 70.079 68.868 -0.014 0.000 0.948 277 T HN 0.563 nan 8.240 nan 0.000 0.438 278 K N 1.838 122.248 120.400 0.015 0.000 2.375 278 K HA 0.506 4.445 4.320 -0.634 0.000 0.249 278 K C -0.434 176.190 176.600 0.039 0.000 0.942 278 K CA -0.829 55.479 56.287 0.035 0.000 0.806 278 K CB 1.596 34.134 32.500 0.064 0.000 1.227 278 K HN 0.357 nan 8.250 nan 0.000 0.430 279 E N 2.088 122.311 120.200 0.038 0.000 2.174 279 E HA 0.344 4.314 4.350 -0.634 0.000 0.282 279 E C -0.572 176.058 176.600 0.051 0.000 0.992 279 E CA -0.415 56.009 56.400 0.041 0.000 0.803 279 E CB 1.165 30.885 29.700 0.034 0.000 1.090 279 E HN 0.423 nan 8.360 nan 0.000 0.396 280 I N 2.192 122.795 120.570 0.054 0.000 2.465 280 I HA 0.155 3.944 4.170 -0.634 0.000 0.291 280 I C 0.081 176.239 176.117 0.068 0.000 1.014 280 I CA -0.458 60.876 61.300 0.055 0.000 1.093 280 I CB 1.849 39.874 38.000 0.042 0.000 1.267 280 I HN 0.369 nan 8.210 nan 0.000 0.431 281 S N 4.922 120.679 115.700 0.095 0.000 2.607 281 S HA 0.901 4.990 4.470 -0.634 0.000 0.303 281 S C -0.490 174.186 174.600 0.126 0.000 1.086 281 S CA -0.663 57.625 58.200 0.146 0.000 0.995 281 S CB 2.047 65.367 63.200 0.200 0.000 1.084 281 S HN 0.873 nan 8.310 nan 0.000 0.507 282 C N 0.310 119.709 119.300 0.164 0.000 3.332 282 C HA 0.709 4.788 4.460 -0.634 0.000 0.329 282 C C 1.005 176.116 174.990 0.202 0.000 1.434 282 C CA -0.828 58.220 59.018 0.051 0.000 1.314 282 C CB 1.048 28.801 27.740 0.023 0.000 1.664 282 C HN 1.175 nan 8.230 nan 0.000 0.457 283 R N -0.715 119.842 120.500 0.095 0.000 2.105 283 R HA 0.264 4.223 4.340 -0.634 0.000 0.214 283 R C -0.480 175.690 176.300 -0.217 0.000 1.091 283 R CA 0.682 56.700 56.100 -0.137 0.000 1.007 283 R CB 0.108 30.178 30.300 -0.383 0.000 0.912 283 R HN 0.784 nan 8.270 nan 0.000 0.450 284 Y N 0.701 121.151 120.300 0.250 0.000 2.341 284 Y HA 0.411 4.581 4.550 -0.634 0.000 0.338 284 Y C -0.804 175.215 175.900 0.198 0.000 0.965 284 Y CA -1.289 56.965 58.100 0.256 0.000 1.108 284 Y CB 1.899 40.595 38.460 0.393 0.000 1.180 284 Y HN -0.053 nan 8.280 nan 0.000 0.458 285 L N 4.650 125.931 121.223 0.096 0.000 2.325 285 L HA 0.635 4.595 4.340 -0.634 0.000 0.281 285 L C -1.874 174.917 176.870 -0.132 0.000 1.004 285 L CA -0.913 53.919 54.840 -0.012 0.000 0.823 285 L CB 0.441 42.334 42.059 -0.278 0.000 1.236 285 L HN 0.455 nan 8.230 nan 0.000 0.415 286 F N 5.586 125.591 119.950 0.092 0.000 2.467 286 F HA 0.527 4.673 4.527 -0.634 0.000 0.336 286 F C -0.500 175.310 175.800 0.016 0.000 1.123 286 F CA -0.691 57.370 58.000 0.102 0.000 0.964 286 F CB 1.627 40.672 39.000 0.074 0.000 1.136 286 F HN 0.200 nan 8.300 nan 0.000 0.447 287 L N 2.879 124.179 121.223 0.129 0.000 2.264 287 L HA 0.568 4.528 4.340 -0.634 0.000 0.289 287 L C 0.687 177.601 176.870 0.073 0.000 1.044 287 L CA -0.036 54.837 54.840 0.055 0.000 0.807 287 L CB 1.336 43.386 42.059 -0.014 0.000 1.192 287 L HN 0.790 nan 8.230 nan 0.000 0.425 288 G N 1.955 110.785 108.800 0.050 0.000 4.803 288 G HA2 0.392 3.971 3.960 -0.634 0.000 0.266 288 G HA3 0.392 3.971 3.960 -0.634 0.000 0.266 288 G C 0.618 175.526 174.900 0.014 0.000 1.111 288 G CA 0.392 45.513 45.100 0.034 0.000 0.874 288 G HN 0.708 nan 8.290 nan 0.000 0.555 289 A N 0.012 122.835 122.820 0.005 0.000 2.259 289 A HA 0.593 4.533 4.320 -0.634 0.000 0.208 289 A C 1.526 179.108 177.584 -0.004 0.000 1.201 289 A CA 1.022 53.052 52.037 -0.011 0.000 0.824 289 A CB -0.521 18.463 19.000 -0.026 0.000 0.838 289 A HN 1.950 nan 8.150 nan 0.000 0.485 290 G N -1.509 107.304 108.800 0.022 0.000 2.746 290 G HA2 -0.042 3.537 3.960 -0.634 0.000 0.685 290 G HA3 -0.042 3.537 3.960 -0.634 0.000 0.685 290 G C 0.739 175.671 174.900 0.053 0.000 1.350 290 G CA 0.230 45.362 45.100 0.053 0.000 0.837 290 G HN 1.040 nan 8.290 nan 0.000 0.564 291 S N -0.817 114.952 115.700 0.114 0.000 2.381 291 S HA -0.180 3.910 4.470 -0.634 0.000 0.230 291 S C 2.536 177.165 174.600 0.048 0.000 1.052 291 S CA 2.495 60.795 58.200 0.167 0.000 1.068 291 S CB -0.402 63.002 63.200 0.339 0.000 0.918 291 S HN 0.819 nan 8.310 nan 0.000 0.448 292 L N 0.191 121.436 121.223 0.038 0.000 2.044 292 L HA 0.119 4.079 4.340 -0.634 0.000 0.205 292 L C 2.980 179.720 176.870 -0.217 0.000 1.075 292 L CA 1.242 55.987 54.840 -0.157 0.000 0.747 292 L CB -1.260 40.829 42.059 0.050 0.000 0.903 292 L HN 0.487 nan 8.230 nan 0.000 0.435 293 G N -0.732 108.012 108.800 -0.095 0.000 2.394 293 G HA2 -0.161 3.418 3.960 -0.634 0.000 0.215 293 G HA3 -0.161 3.418 3.960 -0.634 0.000 0.215 293 G C 1.741 176.582 174.900 -0.098 0.000 1.165 293 G CA 0.719 45.766 45.100 -0.087 0.000 0.784 293 G HN 0.289 nan 8.290 nan 0.000 0.535 294 S N 0.492 116.142 115.700 -0.082 0.000 2.368 294 S HA -0.091 3.999 4.470 -0.634 0.000 0.224 294 S C 2.575 177.106 174.600 -0.116 0.000 1.029 294 S CA 1.646 59.800 58.200 -0.075 0.000 0.988 294 S CB -0.425 62.752 63.200 -0.037 0.000 0.838 294 S HN 0.420 nan 8.310 nan 0.000 0.462 295 T N 1.820 116.269 114.554 -0.175 0.000 2.746 295 T HA -0.142 3.827 4.350 -0.634 0.000 0.267 295 T C 1.798 176.351 174.700 -0.245 0.000 1.039 295 T CA 1.486 63.449 62.100 -0.229 0.000 1.142 295 T CB -0.311 68.309 68.868 -0.414 0.000 0.866 295 T HN 0.557 nan 8.240 nan 0.000 0.444 296 E N 0.662 120.689 120.200 -0.289 0.000 2.077 296 E HA -0.109 3.860 4.350 -0.634 0.000 0.193 296 E C 2.121 178.667 176.600 -0.091 0.000 0.989 296 E CA 0.850 57.155 56.400 -0.157 0.000 0.800 296 E CB -0.249 29.386 29.700 -0.107 0.000 0.746 296 E HN 0.432 nan 8.360 nan 0.000 0.452 297 L N 0.399 121.562 121.223 -0.099 0.000 2.046 297 L HA -0.193 3.767 4.340 -0.634 0.000 0.208 297 L C 2.484 179.281 176.870 -0.121 0.000 1.077 297 L CA 0.892 55.676 54.840 -0.093 0.000 0.747 297 L CB -0.215 41.792 42.059 -0.086 0.000 0.896 297 L HN 0.275 nan 8.230 nan 0.000 0.432 298 L N -1.612 119.540 121.223 -0.119 0.000 2.131 298 L HA -0.125 3.834 4.340 -0.634 0.000 0.206 298 L C 2.456 179.258 176.870 -0.113 0.000 1.087 298 L CA 0.429 55.198 54.840 -0.119 0.000 0.767 298 L CB -0.330 41.672 42.059 -0.095 0.000 0.917 298 L HN 0.030 nan 8.230 nan 0.000 0.441 299 V N 0.210 120.068 119.914 -0.094 0.000 2.343 299 V HA -0.295 3.445 4.120 -0.634 0.000 0.247 299 V C 2.704 178.641 176.094 -0.261 0.000 1.051 299 V CA 1.901 64.153 62.300 -0.080 0.000 1.036 299 V CB -0.636 31.204 31.823 0.028 0.000 0.654 299 V HN 0.475 nan 8.190 nan 0.000 0.451 300 R N 0.407 120.707 120.500 -0.333 0.000 2.073 300 R HA -0.170 3.790 4.340 -0.634 0.000 0.234 300 R C 2.270 178.285 176.300 -0.476 0.000 1.134 300 R CA 1.822 57.505 56.100 -0.694 0.000 0.952 300 R CB -0.470 29.635 30.300 -0.324 0.000 0.850 300 R HN 0.458 nan 8.270 nan 0.000 0.433 301 A N 1.299 123.961 122.820 -0.262 0.000 1.933 301 A HA -0.182 3.757 4.320 -0.634 0.000 0.218 301 A C 2.243 179.733 177.584 -0.156 0.000 1.175 301 A CA 1.438 53.363 52.037 -0.186 0.000 0.628 301 A CB -0.606 18.299 19.000 -0.159 0.000 0.814 301 A HN 0.458 nan 8.150 nan 0.000 0.444 302 R N -0.383 120.031 120.500 -0.145 0.000 2.073 302 R HA -0.152 3.807 4.340 -0.634 0.000 0.234 302 R C 0.871 177.117 176.300 -0.089 0.000 1.134 302 R CA 1.902 57.957 56.100 -0.075 0.000 0.952 302 R CB -0.283 29.994 30.300 -0.039 0.000 0.850 302 R HN 0.379 nan 8.270 nan 0.000 0.433 303 D N -0.566 119.727 120.400 -0.178 0.000 2.347 303 D HA -0.047 4.213 4.640 -0.634 0.000 0.213 303 D C 1.159 177.399 176.300 -0.100 0.000 0.985 303 D CA 1.225 55.161 54.000 -0.107 0.000 0.879 303 D CB 0.458 41.241 40.800 -0.028 0.000 0.919 303 D HN 0.430 nan 8.370 nan 0.000 0.526 304 T N -3.453 110.990 114.554 -0.185 0.000 3.163 304 T HA 0.380 4.349 4.350 -0.634 0.000 0.252 304 T C 1.579 176.255 174.700 -0.040 0.000 1.056 304 T CA 0.311 62.366 62.100 -0.075 0.000 0.947 304 T CB 0.434 69.250 68.868 -0.087 0.000 1.016 304 T HN 0.123 nan 8.240 nan 0.000 0.554 305 G N 1.621 110.398 108.800 -0.038 0.000 2.162 305 G HA2 -0.349 3.231 3.960 -0.634 0.000 0.260 305 G HA3 -0.349 3.231 3.960 -0.634 0.000 0.260 305 G C 0.955 175.851 174.900 -0.007 0.000 0.976 305 G CA 0.908 46.003 45.100 -0.009 0.000 0.655 305 G HN 0.934 nan 8.290 nan 0.000 0.533 306 T N -1.991 112.545 114.554 -0.030 0.000 3.067 306 T HA 0.494 4.463 4.350 -0.634 0.000 0.257 306 T C 1.070 175.759 174.700 -0.018 0.000 1.105 306 T CA 0.891 62.978 62.100 -0.022 0.000 1.104 306 T CB 0.228 69.072 68.868 -0.040 0.000 0.925 306 T HN 0.532 nan 8.240 nan 0.000 0.498 307 L N 1.982 123.189 121.223 -0.026 0.000 2.529 307 L HA 0.362 4.322 4.340 -0.634 0.000 0.246 307 L C -2.031 174.926 176.870 0.145 0.000 1.394 307 L CA -1.853 52.986 54.840 -0.002 0.000 0.906 307 L CB 1.889 43.791 42.059 -0.261 0.000 1.170 307 L HN -0.072 nan 8.230 nan 0.000 0.501 308 P HA -0.081 nan 4.420 nan 0.000 0.230 308 P C 0.803 178.176 177.300 0.121 0.000 1.158 308 P CA 0.927 64.091 63.100 0.107 0.000 0.769 308 P CB 0.351 32.095 31.700 0.073 0.000 0.807 309 N N -0.659 118.165 118.700 0.207 0.000 2.322 309 N HA 0.091 4.450 4.740 -0.634 0.000 0.194 309 N C 0.406 175.985 175.510 0.115 0.000 1.126 309 N CA -0.080 52.992 53.050 0.038 0.000 0.845 309 N CB -0.584 37.724 38.487 -0.297 0.000 0.976 309 N HN 0.099 nan 8.380 nan 0.000 0.475 310 L N 1.301 122.667 121.223 0.239 0.000 2.483 310 L HA 0.041 4.001 4.340 -0.634 0.000 0.276 310 L C 0.820 177.737 176.870 0.078 0.000 1.213 310 L CA -0.463 54.478 54.840 0.167 0.000 0.843 310 L CB 0.194 42.319 42.059 0.110 0.000 1.107 310 L HN 0.300 nan 8.230 nan 0.000 0.487 311 N N -0.144 118.591 118.700 0.059 0.000 2.405 311 N HA 0.077 4.436 4.740 -0.634 0.000 0.269 311 N C 0.633 176.167 175.510 0.040 0.000 1.249 311 N CA -0.220 52.853 53.050 0.039 0.000 0.974 311 N CB 0.559 39.064 38.487 0.030 0.000 1.204 311 N HN 0.520 nan 8.380 nan 0.000 0.565 312 S N -1.838 113.883 115.700 0.036 0.000 2.515 312 S HA -0.028 4.061 4.470 -0.634 0.000 0.231 312 S C 0.850 175.478 174.600 0.047 0.000 0.987 312 S CA 0.256 58.480 58.200 0.040 0.000 0.936 312 S CB -0.375 62.845 63.200 0.034 0.000 0.766 312 S HN 0.582 nan 8.310 nan 0.000 0.528 313 E N 1.325 121.552 120.200 0.045 0.000 2.285 313 E HA 0.120 4.089 4.350 -0.634 0.000 0.194 313 E C 0.256 176.894 176.600 0.065 0.000 0.997 313 E CA 0.103 56.534 56.400 0.052 0.000 0.845 313 E CB -0.214 29.511 29.700 0.043 0.000 0.782 313 E HN 0.375 nan 8.360 nan 0.000 0.491 314 V N 1.305 121.253 119.914 0.056 0.000 2.557 314 V HA 0.127 3.867 4.120 -0.634 0.000 0.301 314 V C 1.514 177.658 176.094 0.084 0.000 1.026 314 V CA 1.480 63.814 62.300 0.056 0.000 1.137 314 V CB 0.374 32.217 31.823 0.033 0.000 0.917 314 V HN 0.553 nan 8.190 nan 0.000 0.484 315 G N 3.690 112.562 108.800 0.119 0.000 2.279 315 G HA2 -0.094 3.486 3.960 -0.634 0.000 0.223 315 G HA3 -0.094 3.486 3.960 -0.634 0.000 0.223 315 G C 0.404 175.454 174.900 0.250 0.000 1.015 315 G CA 0.184 45.405 45.100 0.202 0.000 0.621 315 G HN 1.397 nan 8.290 nan 0.000 0.506 316 A N -0.207 122.719 122.820 0.177 0.000 2.242 316 A HA 0.801 4.741 4.320 -0.634 0.000 0.304 316 A C 1.875 179.574 177.584 0.192 0.000 1.100 316 A CA 1.154 53.289 52.037 0.164 0.000 0.860 316 A CB 0.358 19.422 19.000 0.107 0.000 1.168 316 A HN 2.318 nan 8.150 nan 0.000 0.503 317 G N -2.129 106.775 108.800 0.174 0.000 2.182 317 G HA2 -0.230 3.349 3.960 -0.634 0.000 0.248 317 G HA3 -0.230 3.349 3.960 -0.634 0.000 0.248 317 G C -0.161 174.854 174.900 0.191 0.000 1.042 317 G CA 0.549 45.739 45.100 0.149 0.000 0.775 317 G HN 1.324 nan 8.290 nan 0.000 0.501 318 W N 0.643 121.982 121.300 0.066 0.000 2.365 318 W HA 0.610 4.889 4.660 -0.636 0.000 0.316 318 W C 0.485 176.999 176.519 -0.008 0.000 1.164 318 W CA 0.401 57.766 57.345 0.033 0.000 1.204 318 W CB 1.464 30.904 29.460 -0.034 0.000 1.213 318 W HN 0.641 nan 8.180 nan 0.000 0.539 319 G N 5.024 113.187 108.800 -1.062 0.000 2.718 319 G HA2 0.411 3.991 3.960 -0.634 0.000 0.295 319 G HA3 0.411 3.991 3.960 -0.634 0.000 0.295 319 G C -2.805 171.101 174.900 -1.658 0.000 1.421 319 G CA -1.249 43.174 45.100 -1.128 0.000 0.902 319 G HN 0.269 nan 8.290 nan 0.000 0.501 320 P HA 0.104 nan 4.420 nan 0.000 0.244 320 P C 0.392 177.423 177.300 -0.447 0.000 1.632 320 P CA -0.390 62.160 63.100 -0.916 0.000 0.944 320 P CB -0.039 31.215 31.700 -0.744 0.000 1.569 321 N N 1.024 119.524 118.700 -0.332 0.000 2.708 321 N HA -0.207 4.153 4.740 -0.634 0.000 0.249 321 N C 0.967 176.460 175.510 -0.030 0.000 1.097 321 N CA 1.381 54.374 53.050 -0.096 0.000 0.710 321 N CB -1.947 36.567 38.487 0.044 0.000 1.032 321 N HN 0.408 nan 8.380 nan 0.000 0.551 322 G N -0.902 107.854 108.800 -0.074 0.000 2.233 322 G HA2 -0.382 3.197 3.960 -0.634 0.000 0.270 322 G HA3 -0.382 3.197 3.960 -0.634 0.000 0.270 322 G C -0.006 174.884 174.900 -0.016 0.000 1.011 322 G CA 0.462 45.569 45.100 0.012 0.000 0.762 322 G HN 0.789 nan 8.290 nan 0.000 0.511 323 N N 0.123 118.725 118.700 -0.163 0.000 2.452 323 N HA 0.401 4.761 4.740 -0.634 0.000 0.266 323 N C -0.097 175.286 175.510 -0.213 0.000 1.209 323 N CA -0.058 52.840 53.050 -0.253 0.000 0.929 323 N CB 0.516 38.593 38.487 -0.683 0.000 1.063 323 N HN 0.118 nan 8.380 nan 0.000 0.472 324 I N 2.685 123.290 120.570 0.058 0.000 2.569 324 I HA 0.268 4.058 4.170 -0.634 0.000 0.290 324 I C -0.345 175.956 176.117 0.307 0.000 1.088 324 I CA -0.366 61.062 61.300 0.214 0.000 1.047 324 I CB 1.913 40.036 38.000 0.205 0.000 1.237 324 I HN 0.537 nan 8.210 nan 0.000 0.421 325 M N 4.572 124.318 119.600 0.243 0.000 2.336 325 M HA 0.558 4.657 4.480 -0.634 0.000 0.342 325 M C -0.575 175.717 176.300 -0.013 0.000 1.128 325 M CA 0.114 55.417 55.300 0.005 0.000 1.016 325 M CB 1.833 34.204 32.600 -0.381 0.000 1.665 325 M HN 0.763 nan 8.290 nan 0.000 0.445 326 T N 2.639 117.216 114.554 0.039 0.000 2.816 326 T HA 0.915 4.884 4.350 -0.634 0.000 0.299 326 T C -2.153 172.532 174.700 -0.025 0.000 1.230 326 T CA -0.478 61.555 62.100 -0.112 0.000 1.007 326 T CB 1.761 70.350 68.868 -0.465 0.000 1.289 326 T HN 0.876 nan 8.240 nan 0.000 0.508 327 A N 1.854 124.628 122.820 -0.076 0.000 2.574 327 A HA 0.856 4.796 4.320 -0.634 0.000 0.297 327 A C -1.217 176.394 177.584 0.044 0.000 1.062 327 A CA -0.760 51.268 52.037 -0.015 0.000 0.686 327 A CB 1.577 20.519 19.000 -0.096 0.000 1.285 327 A HN 0.783 nan 8.150 nan 0.000 0.403 328 R N 0.459 121.006 120.500 0.078 0.000 2.637 328 R HA 0.687 4.647 4.340 -0.634 0.000 0.291 328 R C -0.278 176.011 176.300 -0.017 0.000 0.963 328 R CA -0.567 55.550 56.100 0.028 0.000 0.901 328 R CB 2.294 32.646 30.300 0.087 0.000 1.160 328 R HN 0.923 nan 8.270 nan 0.000 0.457 329 A N 3.236 126.025 122.820 -0.053 0.000 2.347 329 A HA 0.214 4.153 4.320 -0.634 0.000 0.287 329 A C -0.228 177.273 177.584 -0.138 0.000 1.199 329 A CA -0.530 51.475 52.037 -0.054 0.000 0.851 329 A CB 0.111 19.085 19.000 -0.044 0.000 1.118 329 A HN 0.674 nan 8.150 nan 0.000 0.525 330 N N 1.538 120.180 118.700 -0.098 0.000 2.483 330 N HA 0.117 4.476 4.740 -0.634 0.000 0.269 330 N C -0.242 175.049 175.510 -0.365 0.000 1.209 330 N CA -0.243 52.680 53.050 -0.213 0.000 0.969 330 N CB 0.384 38.847 38.487 -0.039 0.000 1.173 330 N HN 0.661 nan 8.380 nan 0.000 0.475 331 H N 1.432 120.209 119.070 -0.489 0.000 2.929 331 H HA -0.014 4.162 4.556 -0.633 0.000 0.358 331 H C 1.505 176.368 175.328 -0.775 0.000 1.111 331 H CA 0.230 55.693 56.048 -0.975 0.000 1.409 331 H CB 0.719 29.186 29.762 -2.159 0.000 1.373 331 H HN 0.427 nan 8.280 nan 0.000 0.610 332 M N 1.018 120.259 119.600 -0.598 0.000 2.267 332 M HA -0.163 3.937 4.480 -0.634 0.000 0.263 332 M C 1.611 177.992 176.300 0.136 0.000 1.063 332 M CA 1.397 56.463 55.300 -0.390 0.000 1.090 332 M CB -0.665 31.784 32.600 -0.251 0.000 1.392 332 M HN 0.755 nan 8.290 nan 0.000 0.422 333 W N -0.248 121.144 121.300 0.154 0.000 3.180 333 W HA 0.142 4.431 4.660 -0.619 0.000 0.254 333 W C 0.078 176.706 176.519 0.182 0.000 1.318 333 W CA -0.260 57.175 57.345 0.151 0.000 1.608 333 W CB -0.733 28.771 29.460 0.074 0.000 1.124 333 W HN 0.039 nan 8.180 nan 0.000 0.694 334 N N 2.402 121.154 118.700 0.086 0.000 2.818 334 N HA 0.195 4.555 4.740 -0.634 0.000 0.301 334 N C -2.719 172.869 175.510 0.129 0.000 1.821 334 N CA -1.606 51.502 53.050 0.096 0.000 0.930 334 N CB 0.263 38.745 38.487 -0.009 0.000 1.263 334 N HN 0.001 nan 8.380 nan 0.000 0.487 335 P HA 0.073 nan 4.420 nan 0.000 0.271 335 P C 0.732 177.894 177.300 -0.231 0.000 1.218 335 P CA 0.028 62.969 63.100 -0.264 0.000 0.780 335 P CB 1.026 32.520 31.700 -0.343 0.000 0.901 336 T N -1.601 112.758 114.554 -0.325 0.000 3.060 336 T HA 0.406 4.376 4.350 -0.634 0.000 0.249 336 T C 0.840 175.412 174.700 -0.214 0.000 1.079 336 T CA 0.249 62.238 62.100 -0.184 0.000 1.013 336 T CB -0.664 68.128 68.868 -0.127 0.000 0.975 336 T HN 0.853 nan 8.240 nan 0.000 0.518 337 G N 0.190 108.778 108.800 -0.353 0.000 2.697 337 G HA2 0.293 3.872 3.960 -0.634 0.000 0.686 337 G HA3 0.293 3.872 3.960 -0.634 0.000 0.686 337 G C 0.436 175.058 174.900 -0.464 0.000 1.179 337 G CA -0.491 44.387 45.100 -0.369 0.000 0.765 337 G HN 0.711 nan 8.290 nan 0.000 0.649 338 A N 1.065 123.538 122.820 -0.580 0.000 2.123 338 A HA 0.329 4.269 4.320 -0.634 0.000 0.214 338 A C 0.868 177.997 177.584 -0.757 0.000 1.152 338 A CA 1.198 52.823 52.037 -0.687 0.000 0.728 338 A CB -0.057 18.473 19.000 -0.784 0.000 0.814 338 A HN 0.843 nan 8.150 nan 0.000 0.464 339 H N 0.805 119.599 119.070 -0.459 0.000 2.623 339 H HA 0.456 4.654 4.556 -0.596 0.000 0.299 339 H C -0.837 174.250 175.328 -0.403 0.000 1.052 339 H CA -0.140 55.519 56.048 -0.649 0.000 1.231 339 H CB 0.402 29.284 29.762 -1.467 0.000 1.389 339 H HN 0.449 nan 8.280 nan 0.000 0.469 340 Q N 1.758 121.558 119.800 0.001 0.000 2.309 340 Q HA 0.226 4.186 4.340 -0.634 0.000 0.270 340 Q C -0.009 176.027 176.000 0.061 0.000 1.023 340 Q CA -0.636 55.114 55.803 -0.088 0.000 0.758 340 Q CB 2.832 31.265 28.738 -0.508 0.000 1.247 340 Q HN 0.507 nan 8.270 nan 0.000 0.455 341 S N 1.089 116.853 115.700 0.106 0.000 2.558 341 S HA -0.013 4.076 4.470 -0.634 0.000 0.291 341 S C 0.751 175.298 174.600 -0.089 0.000 1.306 341 S CA 0.025 58.198 58.200 -0.044 0.000 1.056 341 S CB 0.516 63.546 63.200 -0.283 0.000 0.836 341 S HN 0.662 nan 8.310 nan 0.000 0.504 342 S N 3.432 119.082 115.700 -0.084 0.000 2.603 342 S HA 0.196 4.286 4.470 -0.634 0.000 0.220 342 S C 0.335 174.927 174.600 -0.013 0.000 0.967 342 S CA -0.030 58.120 58.200 -0.084 0.000 0.920 342 S CB -0.148 62.999 63.200 -0.089 0.000 0.773 342 S HN 0.603 nan 8.310 nan 0.000 0.529 343 I N 3.415 124.015 120.570 0.049 0.000 2.312 343 I HA 0.363 4.153 4.170 -0.634 0.000 0.290 343 I C -2.686 173.700 176.117 0.447 0.000 1.008 343 I CA -3.261 58.135 61.300 0.161 0.000 1.226 343 I CB 0.566 38.560 38.000 -0.009 0.000 1.371 343 I HN -0.161 nan 8.210 nan 0.000 0.468 344 P HA 0.186 nan 4.420 nan 0.000 0.271 344 P C 0.109 177.706 177.300 0.495 0.000 1.218 344 P CA -0.050 63.367 63.100 0.528 0.000 0.780 344 P CB 1.154 33.081 31.700 0.378 0.000 0.901 345 A N 2.551 125.619 122.820 0.414 0.000 2.312 345 A HA 0.293 4.233 4.320 -0.634 0.000 0.215 345 A C 0.276 177.876 177.584 0.027 0.000 1.256 345 A CA 0.396 52.523 52.037 0.152 0.000 0.966 345 A CB 0.052 18.903 19.000 -0.248 0.000 1.053 345 A HN 0.419 nan 8.150 nan 0.000 0.510 346 L N -0.412 120.823 121.223 0.019 0.000 2.370 346 L HA 0.711 4.670 4.340 -0.634 0.000 0.266 346 L C 0.062 176.915 176.870 -0.028 0.000 1.002 346 L CA -0.796 53.972 54.840 -0.119 0.000 0.818 346 L CB 2.253 44.196 42.059 -0.192 0.000 1.325 346 L HN 0.248 nan 8.230 nan 0.000 0.418 347 G N 1.756 110.479 108.800 -0.129 0.000 2.574 347 G HA2 0.695 4.274 3.960 -0.634 0.000 0.299 347 G HA3 0.695 4.274 3.960 -0.634 0.000 0.299 347 G C -1.174 173.529 174.900 -0.329 0.000 1.298 347 G CA -0.579 44.369 45.100 -0.254 0.000 0.952 347 G HN 0.417 nan 8.290 nan 0.000 0.477 348 I N 1.343 121.714 120.570 -0.331 0.000 2.304 348 I HA 0.177 3.967 4.170 -0.634 0.000 0.291 348 I C -0.731 175.139 176.117 -0.411 0.000 1.018 348 I CA -0.463 60.670 61.300 -0.279 0.000 1.260 348 I CB 1.620 39.517 38.000 -0.171 0.000 1.390 348 I HN 0.270 nan 8.210 nan 0.000 0.475 349 D N 6.857 127.086 120.400 -0.286 0.000 2.443 349 D HA 0.423 4.682 4.640 -0.634 0.000 0.221 349 D C 0.032 176.338 176.300 0.011 0.000 1.097 349 D CA -0.304 53.631 54.000 -0.109 0.000 0.865 349 D CB 1.387 42.223 40.800 0.059 0.000 1.034 349 D HN 0.607 nan 8.370 nan 0.000 0.511 350 A N 5.198 128.048 122.820 0.050 0.000 2.749 350 A HA 0.157 4.096 4.320 -0.634 0.000 0.299 350 A C -0.520 177.107 177.584 0.072 0.000 1.105 350 A CA -0.799 51.245 52.037 0.013 0.000 0.987 350 A CB -0.101 18.849 19.000 -0.083 0.000 1.180 350 A HN 0.556 nan 8.150 nan 0.000 0.528 351 W N 2.432 123.736 121.300 0.007 0.000 2.291 351 W HA 0.388 4.667 4.660 -0.636 0.000 0.312 351 W C -0.937 175.560 176.519 -0.036 0.000 1.061 351 W CA -0.264 57.073 57.345 -0.013 0.000 1.296 351 W CB 1.312 30.787 29.460 0.024 0.000 1.223 351 W HN 0.591 nan 8.180 nan 0.000 0.421 352 D N 3.054 123.340 120.400 -0.190 0.000 2.513 352 D HA 0.003 4.262 4.640 -0.634 0.000 0.222 352 D C 0.404 176.632 176.300 -0.120 0.000 1.210 352 D CA -0.151 53.814 54.000 -0.059 0.000 0.825 352 D CB -0.140 40.619 40.800 -0.069 0.000 1.037 352 D HN 0.358 nan 8.370 nan 0.000 0.506 353 N N -0.463 117.996 118.700 -0.401 0.000 2.984 353 N HA -0.168 4.192 4.740 -0.634 0.000 0.227 353 N C 0.073 175.432 175.510 -0.251 0.000 0.903 353 N CA 1.208 54.118 53.050 -0.232 0.000 0.995 353 N CB -1.826 36.741 38.487 0.134 0.000 1.065 353 N HN 0.562 nan 8.380 nan 0.000 0.585 354 S N -0.129 115.390 115.700 -0.302 0.000 2.634 354 S HA 0.303 4.393 4.470 -0.634 0.000 0.261 354 S C 0.849 175.266 174.600 -0.305 0.000 1.271 354 S CA -0.272 57.792 58.200 -0.228 0.000 0.985 354 S CB 1.212 64.307 63.200 -0.175 0.000 0.968 354 S HN 0.049 nan 8.310 nan 0.000 0.568 355 D N 0.710 120.992 120.400 -0.197 0.000 2.371 355 D HA -0.018 4.241 4.640 -0.634 0.000 0.221 355 D C 1.591 177.763 176.300 -0.214 0.000 0.986 355 D CA 1.179 55.066 54.000 -0.189 0.000 0.899 355 D CB -0.275 40.460 40.800 -0.108 0.000 0.902 355 D HN 0.670 nan 8.370 nan 0.000 0.530 356 S N -0.798 114.766 115.700 -0.226 0.000 2.605 356 S HA 0.084 4.174 4.470 -0.634 0.000 0.217 356 S C 0.887 175.323 174.600 -0.273 0.000 0.958 356 S CA -0.497 57.583 58.200 -0.200 0.000 0.919 356 S CB 0.170 63.280 63.200 -0.150 0.000 0.780 356 S HN -0.179 nan 8.310 nan 0.000 0.507 357 S N 1.650 117.066 115.700 -0.473 0.000 2.546 357 S HA 0.383 4.472 4.470 -0.634 0.000 0.290 357 S C -0.277 174.097 174.600 -0.378 0.000 1.290 357 S CA -0.213 57.567 58.200 -0.700 0.000 1.069 357 S CB 0.729 62.839 63.200 -1.816 0.000 0.846 357 S HN 0.367 nan 8.310 nan 0.000 0.495 358 V N 4.437 124.309 119.914 -0.070 0.000 2.733 358 V HA 0.463 4.203 4.120 -0.634 0.000 0.306 358 V C -1.015 175.309 176.094 0.383 0.000 1.084 358 V CA -0.776 61.633 62.300 0.181 0.000 0.905 358 V CB 1.762 33.616 31.823 0.052 0.000 1.010 358 V HN 0.811 nan 8.190 nan 0.000 0.424 359 F N 4.116 124.285 119.950 0.365 0.000 2.427 359 F HA 0.821 4.969 4.527 -0.633 0.000 0.348 359 F C 0.140 176.066 175.800 0.211 0.000 1.125 359 F CA -0.392 57.745 58.000 0.230 0.000 0.989 359 F CB 1.208 40.285 39.000 0.128 0.000 1.165 359 F HN 0.597 nan 8.300 nan 0.000 0.442 360 A N 5.658 128.443 122.820 -0.057 0.000 2.319 360 A HA 0.385 4.324 4.320 -0.634 0.000 0.310 360 A C -0.657 177.006 177.584 0.132 0.000 1.152 360 A CA -0.718 51.437 52.037 0.196 0.000 0.783 360 A CB 0.754 19.971 19.000 0.362 0.000 1.184 360 A HN 0.807 nan 8.150 nan 0.000 0.474 361 E N 3.130 123.498 120.200 0.280 0.000 2.366 361 E HA 0.226 4.195 4.350 -0.634 0.000 0.266 361 E C -0.897 175.885 176.600 0.303 0.000 1.015 361 E CA -0.140 56.425 56.400 0.275 0.000 0.906 361 E CB 0.334 30.232 29.700 0.329 0.000 0.979 361 E HN 0.566 nan 8.360 nan 0.000 0.443 362 I N 4.404 125.135 120.570 0.268 0.000 2.308 362 I HA 0.178 3.968 4.170 -0.634 0.000 0.293 362 I C 0.224 176.536 176.117 0.325 0.000 1.078 362 I CA -0.307 61.154 61.300 0.268 0.000 1.292 362 I CB 0.806 38.941 38.000 0.224 0.000 1.423 362 I HN 0.509 nan 8.210 nan 0.000 0.493 363 A N 9.902 132.827 122.820 0.175 0.000 2.328 363 A HA 0.632 4.571 4.320 -0.634 0.000 0.284 363 A C -2.291 175.280 177.584 -0.021 0.000 1.160 363 A CA -1.429 50.687 52.037 0.132 0.000 0.818 363 A CB 0.068 19.095 19.000 0.045 0.000 1.087 363 A HN 0.402 nan 8.150 nan 0.000 0.504 364 P HA 0.305 nan 4.420 nan 0.000 0.274 364 P C -0.716 176.308 177.300 -0.460 0.000 1.246 364 P CA -0.006 62.580 63.100 -0.856 0.000 0.795 364 P CB 0.738 31.910 31.700 -0.881 0.000 1.006 365 M N 1.922 121.223 119.600 -0.498 0.000 2.393 365 M HA 0.298 4.397 4.480 -0.634 0.000 0.316 365 M C -1.783 174.328 176.300 -0.315 0.000 1.087 365 M CA -1.900 53.192 55.300 -0.345 0.000 0.937 365 M CB 2.899 35.269 32.600 -0.383 0.000 1.668 365 M HN 0.200 nan 8.290 nan 0.000 0.438 366 P HA 0.137 nan 4.420 nan 0.000 0.255 366 P C 0.860 178.073 177.300 -0.144 0.000 1.248 366 P CA 0.412 63.422 63.100 -0.149 0.000 0.807 366 P CB 0.100 31.747 31.700 -0.089 0.000 1.150 367 A N 1.154 123.840 122.820 -0.224 0.000 1.986 367 A HA 0.029 3.969 4.320 -0.634 0.000 0.220 367 A C 2.031 179.494 177.584 -0.203 0.000 1.171 367 A CA 2.090 53.996 52.037 -0.217 0.000 0.640 367 A CB -1.783 16.911 19.000 -0.509 0.000 0.811 367 A HN 0.324 nan 8.150 nan 0.000 0.451 368 G N -2.204 106.445 108.800 -0.251 0.000 2.179 368 G HA2 -0.200 3.379 3.960 -0.634 0.000 0.260 368 G HA3 -0.200 3.379 3.960 -0.634 0.000 0.260 368 G C 0.151 174.891 174.900 -0.267 0.000 0.977 368 G CA 0.778 45.753 45.100 -0.207 0.000 0.641 368 G HN 1.637 nan 8.290 nan 0.000 0.533 369 L N -3.217 117.816 121.223 -0.317 0.000 2.303 369 L HA 1.009 4.969 4.340 -0.634 0.000 0.256 369 L C -0.070 176.530 176.870 -0.451 0.000 1.034 369 L CA -1.627 53.016 54.840 -0.328 0.000 0.832 369 L CB 1.235 43.172 42.059 -0.203 0.000 1.403 369 L HN -0.030 nan 8.230 nan 0.000 0.419 370 E N 0.467 120.377 120.200 -0.484 0.000 2.299 370 E HA 0.239 4.209 4.350 -0.634 0.000 0.272 370 E C 0.422 176.634 176.600 -0.647 0.000 1.043 370 E CA 0.730 56.698 56.400 -0.720 0.000 0.895 370 E CB 0.873 29.974 29.700 -0.998 0.000 1.011 370 E HN 0.770 nan 8.360 nan 0.000 0.432 371 T N 1.060 115.250 114.554 -0.607 0.000 3.004 371 T HA 0.071 4.041 4.350 -0.634 0.000 0.266 371 T C 0.452 175.204 174.700 0.087 0.000 0.986 371 T CA -0.112 61.838 62.100 -0.250 0.000 0.902 371 T CB -0.292 68.174 68.868 -0.671 0.000 1.118 371 T HN 0.639 nan 8.240 nan 0.000 0.522 372 W N 0.738 121.923 121.300 -0.191 0.000 3.207 372 W HA -0.230 4.151 4.660 -0.463 0.000 0.291 372 W C -0.644 175.780 176.519 -0.158 0.000 1.105 372 W CA 0.030 57.282 57.345 -0.156 0.000 0.612 372 W CB -2.088 27.295 29.460 -0.128 0.000 2.140 372 W HN 0.230 nan 8.180 nan 0.000 1.420 373 V N 1.284 121.163 119.914 -0.059 0.000 2.509 373 V HA 0.341 4.081 4.120 -0.634 0.000 0.284 373 V C 0.831 176.840 176.094 -0.141 0.000 1.047 373 V CA 0.057 62.308 62.300 -0.081 0.000 0.952 373 V CB 1.747 33.502 31.823 -0.113 0.000 0.988 373 V HN -0.013 nan 8.190 nan 0.000 0.469 374 S N 4.808 120.432 115.700 -0.128 0.000 2.437 374 S HA 0.641 4.731 4.470 -0.634 0.000 0.305 374 S C -0.634 173.691 174.600 -0.458 0.000 1.109 374 S CA -0.359 57.691 58.200 -0.249 0.000 1.099 374 S CB 1.149 64.265 63.200 -0.140 0.000 1.004 374 S HN 0.523 nan 8.310 nan 0.000 0.475 375 L N 4.523 125.411 121.223 -0.559 0.000 2.329 375 L HA 0.667 4.627 4.340 -0.634 0.000 0.279 375 L C -1.817 174.656 176.870 -0.661 0.000 1.014 375 L CA -0.377 54.195 54.840 -0.447 0.000 0.814 375 L CB 0.785 42.717 42.059 -0.211 0.000 1.257 375 L HN 0.610 nan 8.230 nan 0.000 0.424 376 Y N 4.503 124.778 120.300 -0.041 0.000 2.442 376 Y HA 0.522 4.700 4.550 -0.620 0.000 0.344 376 Y C -0.641 175.289 175.900 0.050 0.000 0.976 376 Y CA -0.748 57.358 58.100 0.010 0.000 1.040 376 Y CB 1.841 40.222 38.460 -0.130 0.000 1.228 376 Y HN 0.427 nan 8.280 nan 0.000 0.451 377 L N 3.430 124.817 121.223 0.275 0.000 2.272 377 L HA 0.764 4.723 4.340 -0.634 0.000 0.284 377 L C -0.239 176.828 176.870 0.328 0.000 1.045 377 L CA -0.548 54.447 54.840 0.258 0.000 0.842 377 L CB 0.255 42.454 42.059 0.233 0.000 1.224 377 L HN 0.874 nan 8.230 nan 0.000 0.430 378 A N 6.264 129.281 122.820 0.328 0.000 2.363 378 A HA 0.600 4.539 4.320 -0.634 0.000 0.270 378 A C -0.401 177.363 177.584 0.299 0.000 1.121 378 A CA -0.350 51.903 52.037 0.360 0.000 0.800 378 A CB 0.319 19.559 19.000 0.400 0.000 1.052 378 A HN 0.713 nan 8.150 nan 0.000 0.493 379 I N 2.585 123.366 120.570 0.352 0.000 2.362 379 I HA 0.412 4.202 4.170 -0.634 0.000 0.289 379 I C 0.527 176.903 176.117 0.431 0.000 0.994 379 I CA -0.136 61.362 61.300 0.329 0.000 1.158 379 I CB 1.974 40.159 38.000 0.307 0.000 1.315 379 I HN 0.837 nan 8.210 nan 0.000 0.451 380 T N 2.005 116.770 114.554 0.351 0.000 2.888 380 T HA 0.462 4.432 4.350 -0.634 0.000 0.288 380 T C -0.633 174.220 174.700 0.255 0.000 1.063 380 T CA -1.015 61.244 62.100 0.264 0.000 1.010 380 T CB 2.196 71.134 68.868 0.116 0.000 1.214 380 T HN 0.472 nan 8.240 nan 0.000 0.533 381 K N 1.535 121.938 120.400 0.005 0.000 2.404 381 K HA 0.371 4.311 4.320 -0.634 0.000 0.257 381 K C -1.107 175.508 176.600 0.026 0.000 1.026 381 K CA -0.559 55.746 56.287 0.031 0.000 0.951 381 K CB 0.211 32.560 32.500 -0.252 0.000 1.203 381 K HN 0.645 nan 8.250 nan 0.000 0.446 382 N N 5.073 123.825 118.700 0.087 0.000 2.461 382 N HA 0.275 4.634 4.740 -0.634 0.000 0.284 382 N C -1.931 173.636 175.510 0.094 0.000 1.049 382 N CA -1.996 51.099 53.050 0.074 0.000 0.889 382 N CB 1.762 40.308 38.487 0.098 0.000 1.365 382 N HN 0.324 nan 8.380 nan 0.000 0.499 383 P HA -0.044 nan 4.420 nan 0.000 0.233 383 P C -0.298 177.050 177.300 0.080 0.000 1.167 383 P CA 0.533 63.673 63.100 0.068 0.000 0.770 383 P CB 0.418 32.141 31.700 0.039 0.000 0.837 384 Q N 1.099 120.955 119.800 0.093 0.000 2.330 384 Q HA 0.122 4.082 4.340 -0.634 0.000 0.279 384 Q C 0.433 176.584 176.000 0.252 0.000 1.024 384 Q CA 0.740 56.594 55.803 0.085 0.000 0.900 384 Q CB 0.704 29.421 28.738 -0.035 0.000 1.221 384 Q HN 0.187 nan 8.270 nan 0.000 0.396 385 R N 0.330 120.964 120.500 0.224 0.000 2.795 385 R HA 0.700 4.659 4.340 -0.634 0.000 0.275 385 R C -0.085 176.449 176.300 0.391 0.000 0.981 385 R CA -0.662 55.648 56.100 0.349 0.000 0.917 385 R CB 1.859 32.273 30.300 0.191 0.000 1.202 385 R HN 0.749 nan 8.270 nan 0.000 0.469 386 G N -0.241 108.905 108.800 0.576 0.000 2.667 386 G HA2 0.611 4.190 3.960 -0.634 0.000 0.310 386 G HA3 0.611 4.190 3.960 -0.634 0.000 0.310 386 G C -1.052 173.948 174.900 0.167 0.000 1.259 386 G CA -0.240 45.094 45.100 0.389 0.000 1.019 386 G HN 0.316 nan 8.290 nan 0.000 0.496 387 T N 0.147 114.696 114.554 -0.009 0.000 2.886 387 T HA 0.439 4.409 4.350 -0.634 0.000 0.292 387 T C -1.207 173.387 174.700 -0.176 0.000 1.012 387 T CA -0.172 61.918 62.100 -0.017 0.000 0.982 387 T CB 1.283 70.175 68.868 0.040 0.000 1.018 387 T HN 0.240 nan 8.240 nan 0.000 0.451 388 F N 2.151 122.074 119.950 -0.045 0.000 2.424 388 F HA 0.487 4.633 4.527 -0.635 0.000 0.356 388 F C 0.290 176.088 175.800 -0.003 0.000 1.110 388 F CA -0.544 57.403 58.000 -0.087 0.000 1.161 388 F CB 0.806 39.745 39.000 -0.101 0.000 1.115 388 F HN 0.151 nan 8.300 nan 0.000 0.507 389 V N 4.677 124.688 119.914 0.162 0.000 2.495 389 V HA 0.190 3.930 4.120 -0.634 0.000 0.298 389 V C -0.734 175.468 176.094 0.180 0.000 1.031 389 V CA -1.159 61.227 62.300 0.144 0.000 0.871 389 V CB 1.490 33.358 31.823 0.075 0.000 0.988 389 V HN 0.507 nan 8.190 nan 0.000 0.432 390 Y N 3.558 123.897 120.300 0.064 0.000 2.377 390 Y HA 0.369 4.538 4.550 -0.634 0.000 0.330 390 Y C 0.155 176.083 175.900 0.046 0.000 1.108 390 Y CA -0.617 57.516 58.100 0.054 0.000 1.308 390 Y CB 0.937 39.419 38.460 0.038 0.000 1.216 390 Y HN 0.759 nan 8.280 nan 0.000 0.518 391 D N 4.942 125.012 120.400 -0.550 0.000 2.443 391 D HA 0.354 4.614 4.640 -0.634 0.000 0.221 391 D C 0.470 176.267 176.300 -0.838 0.000 1.097 391 D CA 0.098 53.805 54.000 -0.488 0.000 0.865 391 D CB 1.086 41.743 40.800 -0.238 0.000 1.034 391 D HN 0.699 nan 8.370 nan 0.000 0.511 392 A N 3.674 126.127 122.820 -0.611 0.000 2.067 392 A HA 0.068 4.007 4.320 -0.634 0.000 0.219 392 A C 2.081 179.560 177.584 -0.175 0.000 1.158 392 A CA 1.476 53.301 52.037 -0.353 0.000 0.661 392 A CB -0.416 18.605 19.000 0.034 0.000 0.801 392 A HN 0.625 nan 8.150 nan 0.000 0.452 393 A N -0.225 122.506 122.820 -0.149 0.000 1.898 393 A HA -0.075 3.864 4.320 -0.634 0.000 0.216 393 A C 2.303 179.840 177.584 -0.078 0.000 1.181 393 A CA 2.282 54.271 52.037 -0.080 0.000 0.620 393 A CB -1.004 17.960 19.000 -0.059 0.000 0.819 393 A HN 0.776 nan 8.150 nan 0.000 0.442 394 T N -4.501 109.986 114.554 -0.111 0.000 3.086 394 T HA 0.237 4.206 4.350 -0.634 0.000 0.250 394 T C 0.405 175.062 174.700 -0.071 0.000 1.074 394 T CA 0.866 62.922 62.100 -0.074 0.000 0.988 394 T CB 0.014 68.849 68.868 -0.055 0.000 0.988 394 T HN 0.423 nan 8.240 nan 0.000 0.530 395 D N 0.926 121.241 120.400 -0.143 0.000 2.723 395 D HA -0.150 4.109 4.640 -0.634 0.000 0.236 395 D C -0.593 175.729 176.300 0.037 0.000 1.138 395 D CA 0.489 54.470 54.000 -0.031 0.000 0.676 395 D CB -0.724 40.133 40.800 0.094 0.000 1.069 395 D HN 0.372 nan 8.370 nan 0.000 0.430 396 R N -0.385 120.056 120.500 -0.098 0.000 2.744 396 R HA 0.810 4.770 4.340 -0.634 0.000 0.279 396 R C -0.439 175.899 176.300 0.064 0.000 0.977 396 R CA -0.374 55.749 56.100 0.038 0.000 0.906 396 R CB 1.665 31.988 30.300 0.037 0.000 1.197 396 R HN 0.123 nan 8.270 nan 0.000 0.463 397 A N 3.068 126.005 122.820 0.195 0.000 2.302 397 A HA 0.343 4.283 4.320 -0.634 0.000 0.295 397 A C -0.235 177.527 177.584 0.297 0.000 1.235 397 A CA -0.247 51.938 52.037 0.246 0.000 0.876 397 A CB 0.091 19.200 19.000 0.182 0.000 1.133 397 A HN 0.496 nan 8.150 nan 0.000 0.533 398 K N 1.645 122.170 120.400 0.208 0.000 2.172 398 K HA 0.408 4.347 4.320 -0.634 0.000 0.276 398 K C -0.684 175.889 176.600 -0.046 0.000 1.013 398 K CA -0.650 55.740 56.287 0.171 0.000 0.913 398 K CB 1.578 34.137 32.500 0.099 0.000 1.055 398 K HN 0.550 nan 8.250 nan 0.000 0.461 399 L N 3.401 124.361 121.223 -0.439 0.000 2.278 399 L HA 0.132 4.092 4.340 -0.634 0.000 0.287 399 L C -0.654 175.969 176.870 -0.413 0.000 1.072 399 L CA 0.232 54.516 54.840 -0.927 0.000 0.819 399 L CB 0.113 41.097 42.059 -1.791 0.000 1.176 399 L HN 0.540 nan 8.230 nan 0.000 0.435 400 N N 6.768 125.308 118.700 -0.267 0.000 2.807 400 N HA 0.109 4.469 4.740 -0.634 0.000 0.259 400 N C -1.522 173.989 175.510 0.003 0.000 1.149 400 N CA -0.153 52.841 53.050 -0.095 0.000 1.042 400 N CB 0.291 38.740 38.487 -0.062 0.000 1.367 400 N HN 0.566 nan 8.380 nan 0.000 0.516 401 W N 2.965 124.158 121.300 -0.179 0.000 2.957 401 W HA 0.223 4.503 4.660 -0.635 0.000 0.336 401 W C -0.838 175.659 176.519 -0.037 0.000 1.087 401 W CA -0.561 56.733 57.345 -0.085 0.000 1.235 401 W CB 1.759 31.168 29.460 -0.086 0.000 1.399 401 W HN 0.186 nan 8.180 nan 0.000 0.480 402 T N 1.849 116.094 114.554 -0.514 0.000 2.918 402 T HA 0.351 4.321 4.350 -0.634 0.000 0.286 402 T C 0.921 175.388 174.700 -0.388 0.000 1.026 402 T CA -0.701 61.224 62.100 -0.292 0.000 1.031 402 T CB 2.636 71.373 68.868 -0.218 0.000 1.046 402 T HN 0.641 nan 8.240 nan 0.000 0.479 403 R N 0.696 121.155 120.500 -0.068 0.000 2.127 403 R HA -0.138 3.821 4.340 -0.634 0.000 0.238 403 R C 1.828 178.100 176.300 -0.046 0.000 1.134 403 R CA 2.105 58.230 56.100 0.042 0.000 0.975 403 R CB -0.385 29.965 30.300 0.082 0.000 0.865 403 R HN 0.889 nan 8.270 nan 0.000 0.447 404 D N -0.155 120.176 120.400 -0.116 0.000 2.263 404 D HA -0.213 4.047 4.640 -0.634 0.000 0.208 404 D C 1.186 177.374 176.300 -0.187 0.000 0.971 404 D CA 1.017 54.946 54.000 -0.118 0.000 0.867 404 D CB -0.336 40.398 40.800 -0.110 0.000 0.929 404 D HN 0.397 nan 8.370 nan 0.000 0.492 405 Q N -0.391 119.176 119.800 -0.388 0.000 2.437 405 Q HA -0.034 3.926 4.340 -0.634 0.000 0.210 405 Q C 1.066 176.928 176.000 -0.231 0.000 0.972 405 Q CA 0.482 55.963 55.803 -0.536 0.000 0.903 405 Q CB -0.077 27.860 28.738 -1.334 0.000 0.967 405 Q HN 0.203 nan 8.270 nan 0.000 0.486 406 N N -0.261 118.445 118.700 0.010 0.000 2.336 406 N HA 0.096 4.455 4.740 -0.634 0.000 0.189 406 N C 0.978 176.525 175.510 0.062 0.000 1.113 406 N CA 0.296 53.462 53.050 0.194 0.000 0.858 406 N CB 0.299 38.970 38.487 0.307 0.000 0.970 406 N HN 0.200 nan 8.380 nan 0.000 0.471 407 A N 1.591 124.408 122.820 -0.006 0.000 1.908 407 A HA -0.065 3.874 4.320 -0.634 0.000 0.218 407 A C -0.301 177.261 177.584 -0.037 0.000 1.181 407 A CA 1.268 53.287 52.037 -0.031 0.000 0.627 407 A CB -1.299 17.673 19.000 -0.045 0.000 0.818 407 A HN 0.180 nan 8.150 nan 0.000 0.445 408 P HA -0.104 nan 4.420 nan 0.000 0.216 408 P C 1.695 178.981 177.300 -0.023 0.000 1.150 408 P CA 1.804 64.888 63.100 -0.027 0.000 0.837 408 P CB -0.079 31.613 31.700 -0.012 0.000 0.786 409 A N -0.588 122.240 122.820 0.012 0.000 1.873 409 A HA -0.147 3.792 4.320 -0.634 0.000 0.215 409 A C 2.339 179.908 177.584 -0.025 0.000 1.186 409 A CA 1.736 53.786 52.037 0.023 0.000 0.616 409 A CB -1.692 17.349 19.000 0.068 0.000 0.823 409 A HN 0.006 nan 8.150 nan 0.000 0.442 410 V N 1.321 121.195 119.914 -0.066 0.000 2.287 410 V HA -0.300 3.439 4.120 -0.634 0.000 0.248 410 V C 2.294 178.193 176.094 -0.325 0.000 1.053 410 V CA 2.255 64.417 62.300 -0.230 0.000 1.027 410 V CB -1.013 30.678 31.823 -0.221 0.000 0.646 410 V HN 0.579 nan 8.190 nan 0.000 0.447 411 N N 0.562 119.146 118.700 -0.192 0.000 2.166 411 N HA -0.108 4.252 4.740 -0.634 0.000 0.186 411 N C 1.847 177.280 175.510 -0.128 0.000 1.019 411 N CA 1.656 54.605 53.050 -0.169 0.000 0.856 411 N CB -0.523 37.903 38.487 -0.103 0.000 0.993 411 N HN 0.513 nan 8.380 nan 0.000 0.426 412 A N 0.983 123.749 122.820 -0.091 0.000 1.898 412 A HA 0.124 4.064 4.320 -0.634 0.000 0.216 412 A C 2.377 179.952 177.584 -0.016 0.000 1.181 412 A CA 1.695 53.694 52.037 -0.064 0.000 0.620 412 A CB -0.762 18.198 19.000 -0.067 0.000 0.819 412 A HN 0.301 nan 8.150 nan 0.000 0.442 413 A N -0.054 122.780 122.820 0.024 0.000 1.902 413 A HA -0.180 3.760 4.320 -0.634 0.000 0.217 413 A C 2.143 179.900 177.584 0.288 0.000 1.181 413 A CA 2.026 54.194 52.037 0.217 0.000 0.623 413 A CB -0.463 18.712 19.000 0.292 0.000 0.818 413 A HN 0.545 nan 8.150 nan 0.000 0.443 414 K N -0.356 119.992 120.400 -0.087 0.000 2.097 414 K HA -0.047 3.893 4.320 -0.634 0.000 0.205 414 K C 2.097 178.807 176.600 0.183 0.000 1.050 414 K CA 1.137 57.458 56.287 0.057 0.000 0.938 414 K CB -0.310 31.970 32.500 -0.366 0.000 0.718 414 K HN 0.360 nan 8.250 nan 0.000 0.442 415 A N 1.222 124.068 122.820 0.043 0.000 1.933 415 A HA -0.141 3.799 4.320 -0.634 0.000 0.218 415 A C 2.036 179.624 177.584 0.007 0.000 1.175 415 A CA 1.253 53.307 52.037 0.029 0.000 0.628 415 A CB -0.530 18.456 19.000 -0.024 0.000 0.814 415 A HN 0.395 nan 8.150 nan 0.000 0.444 416 L N -1.712 119.485 121.223 -0.044 0.000 2.005 416 L HA -0.044 3.915 4.340 -0.634 0.000 0.207 416 L C 2.131 178.828 176.870 -0.289 0.000 1.072 416 L CA 1.974 56.680 54.840 -0.223 0.000 0.744 416 L CB -0.484 41.334 42.059 -0.402 0.000 0.895 416 L HN 0.340 nan 8.230 nan 0.000 0.433 417 F N -0.221 119.785 119.950 0.095 0.000 2.407 417 F HA -0.102 4.047 4.527 -0.630 0.000 0.299 417 F C 2.101 177.935 175.800 0.057 0.000 1.097 417 F CA 0.808 58.852 58.000 0.073 0.000 1.422 417 F CB -0.547 38.597 39.000 0.241 0.000 1.067 417 F HN 0.165 nan 8.300 nan 0.000 0.539 418 D N 0.089 120.651 120.400 0.271 0.000 2.144 418 D HA -0.128 4.131 4.640 -0.634 0.000 0.199 418 D C 2.293 178.617 176.300 0.038 0.000 0.984 418 D CA 1.023 55.115 54.000 0.153 0.000 0.834 418 D CB -0.249 40.659 40.800 0.181 0.000 0.955 418 D HN 0.212 nan 8.370 nan 0.000 0.465 419 R N 0.088 120.587 120.500 -0.001 0.000 2.091 419 R HA -0.045 3.915 4.340 -0.634 0.000 0.238 419 R C 2.477 178.751 176.300 -0.044 0.000 1.136 419 R CA 0.797 56.876 56.100 -0.035 0.000 0.959 419 R CB -0.221 30.035 30.300 -0.073 0.000 0.856 419 R HN 0.264 nan 8.270 nan 0.000 0.437 420 I N 0.895 121.425 120.570 -0.066 0.000 2.252 420 I HA -0.243 3.546 4.170 -0.634 0.000 0.245 420 I C 1.691 177.787 176.117 -0.034 0.000 1.102 420 I CA 0.960 62.230 61.300 -0.051 0.000 1.385 420 I CB -0.365 37.600 38.000 -0.058 0.000 1.064 420 I HN 0.161 nan 8.210 nan 0.000 0.414 421 N N 1.167 119.830 118.700 -0.062 0.000 2.166 421 N HA -0.201 4.158 4.740 -0.634 0.000 0.186 421 N C 1.781 177.271 175.510 -0.034 0.000 1.019 421 N CA 1.191 54.182 53.050 -0.099 0.000 0.856 421 N CB -0.271 38.087 38.487 -0.215 0.000 0.993 421 N HN 0.348 nan 8.380 nan 0.000 0.426 422 K N 0.752 121.145 120.400 -0.013 0.000 2.097 422 K HA 0.011 3.951 4.320 -0.634 0.000 0.206 422 K C 1.769 178.383 176.600 0.023 0.000 1.049 422 K CA 1.186 57.480 56.287 0.012 0.000 0.933 422 K CB -0.039 32.470 32.500 0.014 0.000 0.717 422 K HN 0.092 nan 8.250 nan 0.000 0.442 423 A N 0.957 123.787 122.820 0.017 0.000 2.014 423 A HA -0.060 3.879 4.320 -0.634 0.000 0.218 423 A C 1.419 179.043 177.584 0.066 0.000 1.163 423 A CA 1.207 53.263 52.037 0.031 0.000 0.652 423 A CB -0.156 18.854 19.000 0.016 0.000 0.808 423 A HN 0.384 nan 8.150 nan 0.000 0.449 424 N N -1.361 117.384 118.700 0.076 0.000 2.184 424 N HA 0.140 4.499 4.740 -0.634 0.000 0.206 424 N C 0.924 176.569 175.510 0.225 0.000 1.151 424 N CA 0.780 53.925 53.050 0.158 0.000 0.878 424 N CB 0.712 39.260 38.487 0.101 0.000 1.014 424 N HN 0.525 nan 8.380 nan 0.000 0.512 425 G N 2.107 110.987 108.800 0.133 0.000 2.221 425 G HA2 -0.285 3.294 3.960 -0.634 0.000 0.265 425 G HA3 -0.285 3.294 3.960 -0.634 0.000 0.265 425 G C 0.330 175.306 174.900 0.126 0.000 1.041 425 G CA 1.122 46.314 45.100 0.155 0.000 0.807 425 G HN 0.466 nan 8.290 nan 0.000 0.502 426 T N -1.863 112.674 114.554 -0.028 0.000 2.948 426 T HA 0.818 4.787 4.350 -0.634 0.000 0.285 426 T C 0.544 175.167 174.700 -0.128 0.000 1.019 426 T CA -0.433 61.574 62.100 -0.155 0.000 1.013 426 T CB 2.568 71.255 68.868 -0.301 0.000 1.117 426 T HN 1.264 nan 8.240 nan 0.000 0.533 427 I N -2.298 118.196 120.570 -0.127 0.000 3.067 427 I HA 0.675 4.465 4.170 -0.634 0.000 0.312 427 I C -0.965 175.056 176.117 -0.160 0.000 1.073 427 I CA -1.889 59.351 61.300 -0.100 0.000 1.016 427 I CB 1.248 39.289 38.000 0.069 0.000 1.227 427 I HN 0.528 nan 8.210 nan 0.000 0.456 428 Y N 1.615 121.888 120.300 -0.045 0.000 2.357 428 Y HA 0.341 4.508 4.550 -0.638 0.000 0.340 428 Y C 0.781 176.516 175.900 -0.275 0.000 1.260 428 Y CA -0.151 57.782 58.100 -0.278 0.000 1.425 428 Y CB 0.368 38.432 38.460 -0.660 0.000 1.326 428 Y HN 0.327 nan 8.280 nan 0.000 0.580 429 R N 1.041 121.476 120.500 -0.108 0.000 2.490 429 R HA 0.090 4.050 4.340 -0.634 0.000 0.278 429 R C -0.655 175.451 176.300 -0.324 0.000 1.069 429 R CA -0.137 55.895 56.100 -0.112 0.000 1.080 429 R CB 0.179 30.427 30.300 -0.086 0.000 1.030 429 R HN 0.820 nan 8.270 nan 0.000 0.491 430 Y N -0.351 119.932 120.300 -0.030 0.000 2.527 430 Y HA 0.060 4.230 4.550 -0.634 0.000 0.247 430 Y C 0.685 176.546 175.900 -0.065 0.000 1.138 430 Y CA -0.201 57.880 58.100 -0.031 0.000 1.228 430 Y CB 0.680 39.146 38.460 0.011 0.000 1.252 430 Y HN 0.550 nan 8.280 nan 0.000 0.531 431 D N -1.127 119.265 120.400 -0.014 0.000 2.479 431 D HA 0.088 4.347 4.640 -0.634 0.000 0.218 431 D C 1.104 177.282 176.300 -0.203 0.000 1.177 431 D CA 0.202 54.162 54.000 -0.067 0.000 0.830 431 D CB -0.450 40.322 40.800 -0.047 0.000 1.014 431 D HN 0.295 nan 8.370 nan 0.000 0.503 432 L N -0.917 120.058 121.223 -0.414 0.000 2.418 432 L HA 0.225 4.184 4.340 -0.634 0.000 0.218 432 L C 0.915 177.409 176.870 -0.626 0.000 1.125 432 L CA 0.642 55.114 54.840 -0.612 0.000 0.835 432 L CB -0.242 41.241 42.059 -0.960 0.000 0.953 432 L HN -0.041 nan 8.230 nan 0.000 0.454 433 F N -0.299 119.618 119.950 -0.054 0.000 2.688 433 F HA 0.479 4.633 4.527 -0.622 0.000 0.310 433 F C 1.015 176.743 175.800 -0.120 0.000 1.098 433 F CA -0.223 57.730 58.000 -0.079 0.000 1.228 433 F CB 1.055 40.019 39.000 -0.060 0.000 1.042 433 F HN 0.019 nan 8.300 nan 0.000 0.557 434 G N 0.072 108.846 108.800 -0.043 0.000 2.353 434 G HA2 0.078 3.658 3.960 -0.634 0.000 0.308 434 G HA3 0.078 3.658 3.960 -0.634 0.000 0.308 434 G C 0.408 175.280 174.900 -0.045 0.000 1.418 434 G CA -0.291 44.756 45.100 -0.088 0.000 0.966 434 G HN 0.011 nan 8.290 nan 0.000 0.638 435 T N -1.736 112.790 114.554 -0.047 0.000 2.684 435 T HA -0.041 3.928 4.350 -0.634 0.000 0.267 435 T C 1.204 175.909 174.700 0.008 0.000 1.036 435 T CA 1.875 63.964 62.100 -0.018 0.000 1.148 435 T CB -0.293 68.566 68.868 -0.014 0.000 0.863 435 T HN 0.625 nan 8.240 nan 0.000 0.436 436 Q N 1.204 121.016 119.800 0.021 0.000 2.364 436 Q HA 0.431 4.391 4.340 -0.634 0.000 0.267 436 Q C -0.350 175.694 176.000 0.073 0.000 0.999 436 Q CA -0.328 55.499 55.803 0.041 0.000 0.886 436 Q CB 0.379 29.145 28.738 0.046 0.000 1.243 436 Q HN 0.482 nan 8.270 nan 0.000 0.415 437 L N 2.889 124.161 121.223 0.081 0.000 2.780 437 L HA -0.061 3.899 4.340 -0.634 0.000 0.275 437 L C 0.244 177.245 176.870 0.219 0.000 1.153 437 L CA 0.742 55.671 54.840 0.147 0.000 0.993 437 L CB -0.545 41.545 42.059 0.052 0.000 1.319 437 L HN 0.462 nan 8.230 nan 0.000 0.479 438 K N 2.651 123.211 120.400 0.268 0.000 2.695 438 K HA 0.441 4.381 4.320 -0.634 0.000 0.255 438 K C 0.211 176.917 176.600 0.177 0.000 1.016 438 K CA -0.303 56.132 56.287 0.246 0.000 0.928 438 K CB 1.543 34.176 32.500 0.220 0.000 1.235 438 K HN 0.515 nan 8.250 nan 0.000 0.467 439 A N 4.305 127.117 122.820 -0.013 0.000 2.132 439 A HA 0.237 4.176 4.320 -0.634 0.000 0.213 439 A C -0.277 176.936 177.584 -0.618 0.000 1.154 439 A CA 0.509 52.223 52.037 -0.538 0.000 0.753 439 A CB -0.016 18.251 19.000 -1.221 0.000 0.826 439 A HN 0.470 nan 8.150 nan 0.000 0.469 440 F N -0.186 119.755 119.950 -0.016 0.000 2.499 440 F HA 0.590 4.741 4.527 -0.626 0.000 0.333 440 F C 0.408 176.111 175.800 -0.161 0.000 1.138 440 F CA -0.981 56.974 58.000 -0.074 0.000 0.945 440 F CB 1.585 40.535 39.000 -0.083 0.000 1.181 440 F HN 0.074 nan 8.300 nan 0.000 0.435 441 A N 2.219 124.816 122.820 -0.373 0.000 2.396 441 A HA 0.409 4.349 4.320 -0.634 0.000 0.279 441 A C 0.213 177.822 177.584 0.043 0.000 1.165 441 A CA -0.340 51.422 52.037 -0.459 0.000 0.824 441 A CB -0.067 18.222 19.000 -1.186 0.000 1.100 441 A HN 0.735 nan 8.150 nan 0.000 0.516 442 D N 1.262 121.725 120.400 0.105 0.000 2.535 442 D HA 0.097 4.357 4.640 -0.634 0.000 0.229 442 D C -0.413 175.995 176.300 0.180 0.000 1.238 442 D CA 0.149 54.238 54.000 0.149 0.000 0.824 442 D CB 0.344 41.225 40.800 0.134 0.000 1.045 442 D HN 0.442 nan 8.370 nan 0.000 0.500 443 D N -0.041 120.488 120.400 0.215 0.000 2.785 443 D HA 0.146 4.406 4.640 -0.634 0.000 0.324 443 D C -0.218 176.245 176.300 0.272 0.000 1.523 443 D CA -0.684 53.450 54.000 0.223 0.000 0.789 443 D CB -0.951 39.973 40.800 0.207 0.000 1.171 443 D HN 0.227 nan 8.370 nan 0.000 0.447 444 F N -0.508 119.478 119.950 0.060 0.000 2.631 444 F HA 0.819 4.970 4.527 -0.627 0.000 0.328 444 F C -1.332 174.507 175.800 0.065 0.000 1.067 444 F CA -1.820 56.255 58.000 0.126 0.000 0.969 444 F CB 1.827 40.868 39.000 0.067 0.000 1.332 444 F HN 0.028 nan 8.300 nan 0.000 0.490 445 C N 2.773 122.019 119.300 -0.090 0.000 2.752 445 C HA 0.520 4.600 4.460 -0.634 0.000 0.360 445 C C -0.392 174.766 174.990 0.280 0.000 1.081 445 C CA -0.414 58.453 59.018 -0.251 0.000 1.272 445 C CB 0.056 27.803 27.740 0.012 0.000 1.754 445 C HN 0.875 nan 8.230 nan 0.000 0.483 446 Y N 1.774 122.038 120.300 -0.060 0.000 2.497 446 Y HA 0.269 4.436 4.550 -0.638 0.000 0.265 446 Y C 1.271 177.276 175.900 0.176 0.000 1.111 446 Y CA 0.645 58.791 58.100 0.078 0.000 1.288 446 Y CB -0.283 38.178 38.460 0.002 0.000 1.082 446 Y HN 0.751 nan 8.280 nan 0.000 0.536 447 H N 1.137 120.333 119.070 0.210 0.000 2.340 447 H HA 0.241 4.416 4.556 -0.634 0.000 0.233 447 H C -2.508 172.833 175.328 0.022 0.000 1.435 447 H CA -2.369 53.741 56.048 0.104 0.000 1.389 447 H CB 0.418 30.201 29.762 0.034 0.000 1.491 447 H HN -0.064 nan 8.280 nan 0.000 0.518 448 P HA 0.073 nan 4.420 nan 0.000 0.276 448 P C -0.462 176.887 177.300 0.081 0.000 1.235 448 P CA 0.022 63.264 63.100 0.237 0.000 0.772 448 P CB 1.612 33.664 31.700 0.587 0.000 0.871 449 L N 3.113 124.177 121.223 -0.266 0.000 2.438 449 L HA 0.762 4.721 4.340 -0.634 0.000 0.270 449 L C 0.585 177.345 176.870 -0.183 0.000 0.972 449 L CA -0.332 54.411 54.840 -0.162 0.000 0.831 449 L CB 2.014 43.967 42.059 -0.176 0.000 1.273 449 L HN 0.737 nan 8.230 nan 0.000 0.405 450 G N 1.204 110.043 108.800 0.064 0.000 2.434 450 G HA2 0.367 3.946 3.960 -0.634 0.000 0.671 450 G HA3 0.367 3.946 3.960 -0.634 0.000 0.671 450 G C 0.290 175.411 174.900 0.369 0.000 1.280 450 G CA -0.280 44.912 45.100 0.154 0.000 0.975 450 G HN 1.279 nan 8.290 nan 0.000 0.510 451 G N -2.449 106.553 108.800 0.336 0.000 2.339 451 G HA2 0.050 3.630 3.960 -0.634 0.000 0.209 451 G HA3 0.050 3.630 3.960 -0.634 0.000 0.209 451 G C 1.118 176.115 174.900 0.162 0.000 1.015 451 G CA 1.550 46.850 45.100 0.334 0.000 0.635 451 G HN 2.400 nan 8.290 nan 0.000 0.499 452 C N 2.489 121.856 119.300 0.112 0.000 3.471 452 C HA 0.643 4.723 4.460 -0.634 0.000 0.191 452 C C 0.725 175.743 174.990 0.048 0.000 1.480 452 C CA -0.504 58.551 59.018 0.062 0.000 1.281 452 C CB -0.958 26.801 27.740 0.033 0.000 1.898 452 C HN 0.524 nan 8.230 nan 0.000 0.533 453 V N 3.020 122.965 119.914 0.051 0.000 2.655 453 V HA 0.057 3.796 4.120 -0.634 0.000 0.300 453 V C 0.674 176.769 176.094 0.002 0.000 1.044 453 V CA 0.034 62.347 62.300 0.023 0.000 1.095 453 V CB 0.920 32.755 31.823 0.019 0.000 0.952 453 V HN 0.623 nan 8.190 nan 0.000 0.485 454 L N 5.499 126.709 121.223 -0.021 0.000 2.628 454 L HA 0.397 4.356 4.340 -0.634 0.000 0.274 454 L C 1.242 178.084 176.870 -0.045 0.000 1.209 454 L CA 1.931 56.748 54.840 -0.038 0.000 0.930 454 L CB -0.107 41.908 42.059 -0.073 0.000 1.183 454 L HN 1.001 nan 8.230 nan 0.000 0.492 455 G N 2.797 111.580 108.800 -0.029 0.000 2.225 455 G HA2 -0.272 3.308 3.960 -0.634 0.000 0.254 455 G HA3 -0.272 3.308 3.960 -0.634 0.000 0.254 455 G C 1.137 176.032 174.900 -0.008 0.000 0.988 455 G CA 0.510 45.596 45.100 -0.025 0.000 0.625 455 G HN 0.599 nan 8.290 nan 0.000 0.527 456 K N -0.487 119.913 120.400 0.000 0.000 2.313 456 K HA 0.516 4.456 4.320 -0.634 0.000 0.215 456 K C 2.698 179.310 176.600 0.021 0.000 1.109 456 K CA 0.569 56.863 56.287 0.011 0.000 0.895 456 K CB -0.274 32.234 32.500 0.014 0.000 1.234 456 K HN 0.442 nan 8.250 nan 0.000 0.463 457 A N 1.788 124.624 122.820 0.027 0.000 2.119 457 A HA -0.021 3.918 4.320 -0.634 0.000 0.216 457 A C 1.236 178.839 177.584 0.030 0.000 1.152 457 A CA 1.382 53.438 52.037 0.032 0.000 0.708 457 A CB -0.308 18.714 19.000 0.037 0.000 0.805 457 A HN 0.517 nan 8.150 nan 0.000 0.460 458 T N -2.820 111.751 114.554 0.027 0.000 2.864 458 T HA 0.504 4.473 4.350 -0.634 0.000 0.289 458 T C -0.454 174.269 174.700 0.038 0.000 1.082 458 T CA -0.224 61.897 62.100 0.036 0.000 1.009 458 T CB 1.474 70.367 68.868 0.042 0.000 1.234 458 T HN 0.218 nan 8.240 nan 0.000 0.526 459 D N -0.117 120.321 120.400 0.063 0.000 2.376 459 D HA 0.154 4.413 4.640 -0.634 0.000 0.268 459 D C 0.304 176.628 176.300 0.041 0.000 1.252 459 D CA -0.396 53.648 54.000 0.072 0.000 1.041 459 D CB -0.140 40.735 40.800 0.125 0.000 1.109 459 D HN 0.493 nan 8.370 nan 0.000 0.552 460 D N -1.739 118.668 120.400 0.012 0.000 2.363 460 D HA -0.047 4.213 4.640 -0.634 0.000 0.226 460 D C 0.043 176.070 176.300 -0.456 0.000 1.020 460 D CA 0.554 54.431 54.000 -0.205 0.000 0.892 460 D CB -0.144 40.485 40.800 -0.285 0.000 0.900 460 D HN 0.388 nan 8.370 nan 0.000 0.531 461 Y N -0.989 119.323 120.300 0.018 0.000 2.682 461 Y HA 0.328 4.497 4.550 -0.634 0.000 0.251 461 Y C 1.669 177.593 175.900 0.040 0.000 1.172 461 Y CA -0.251 57.854 58.100 0.009 0.000 1.186 461 Y CB 1.100 39.564 38.460 0.006 0.000 1.216 461 Y HN -0.019 nan 8.280 nan 0.000 0.540 462 G N 0.943 109.825 108.800 0.137 0.000 2.157 462 G HA2 -0.276 3.303 3.960 -0.634 0.000 0.248 462 G HA3 -0.276 3.303 3.960 -0.634 0.000 0.248 462 G C 0.222 175.232 174.900 0.184 0.000 0.979 462 G CA -0.531 44.649 45.100 0.133 0.000 0.650 462 G HN 0.286 nan 8.290 nan 0.000 0.529 463 R N 0.383 121.013 120.500 0.216 0.000 2.370 463 R HA 0.378 4.338 4.340 -0.634 0.000 0.309 463 R C 0.579 176.903 176.300 0.040 0.000 1.059 463 R CA -0.391 55.800 56.100 0.151 0.000 0.981 463 R CB 1.235 31.639 30.300 0.174 0.000 0.972 463 R HN 0.105 nan 8.270 nan 0.000 0.437 464 V N 3.520 123.410 119.914 -0.041 0.000 2.540 464 V HA -0.006 3.733 4.120 -0.634 0.000 0.297 464 V C 0.943 177.068 176.094 0.051 0.000 1.024 464 V CA -0.102 62.196 62.300 -0.003 0.000 1.105 464 V CB 0.723 32.516 31.823 -0.051 0.000 0.938 464 V HN 0.872 nan 8.190 nan 0.000 0.482 465 A N 4.614 127.466 122.820 0.053 0.000 2.546 465 A HA 0.493 4.433 4.320 -0.634 0.000 0.243 465 A C 1.532 179.146 177.584 0.049 0.000 1.063 465 A CA 0.604 52.665 52.037 0.041 0.000 0.757 465 A CB -0.361 18.656 19.000 0.029 0.000 0.991 465 A HN 2.129 nan 8.150 nan 0.000 0.503 466 G N 0.531 109.302 108.800 -0.049 0.000 2.194 466 G HA2 -0.210 3.370 3.960 -0.634 0.000 0.236 466 G HA3 -0.210 3.370 3.960 -0.634 0.000 0.236 466 G C -0.102 174.431 174.900 -0.611 0.000 0.987 466 G CA 0.527 45.474 45.100 -0.254 0.000 0.635 466 G HN 0.998 nan 8.290 nan 0.000 0.520 467 Y N -0.193 120.097 120.300 -0.017 0.000 2.524 467 Y HA 0.662 4.831 4.550 -0.634 0.000 0.347 467 Y C 0.170 176.052 175.900 -0.030 0.000 1.005 467 Y CA -0.988 57.112 58.100 0.001 0.000 1.025 467 Y CB 1.773 40.239 38.460 0.010 0.000 1.275 467 Y HN 0.055 nan 8.280 nan 0.000 0.460 468 K N 1.522 122.023 120.400 0.169 0.000 2.130 468 K HA 0.327 4.266 4.320 -0.634 0.000 0.268 468 K C -0.320 176.328 176.600 0.080 0.000 0.983 468 K CA -0.178 56.159 56.287 0.083 0.000 0.893 468 K CB 0.419 32.963 32.500 0.073 0.000 1.066 468 K HN 0.939 nan 8.250 nan 0.000 0.450 469 N N 0.898 119.538 118.700 -0.100 0.000 2.776 469 N HA -0.247 4.113 4.740 -0.634 0.000 0.250 469 N C -1.274 173.868 175.510 -0.613 0.000 1.112 469 N CA 0.231 53.199 53.050 -0.138 0.000 0.733 469 N CB -0.767 37.860 38.487 0.233 0.000 1.097 469 N HN 0.232 nan 8.380 nan 0.000 0.558 470 L N 1.157 121.782 121.223 -0.997 0.000 2.343 470 L HA 0.543 4.502 4.340 -0.634 0.000 0.278 470 L C -1.292 174.969 176.870 -1.016 0.000 0.996 470 L CA -0.758 53.503 54.840 -0.965 0.000 0.831 470 L CB 0.793 42.435 42.059 -0.695 0.000 1.232 470 L HN 0.045 nan 8.230 nan 0.000 0.413 471 Y N 3.465 123.537 120.300 -0.381 0.000 2.512 471 Y HA 0.737 4.906 4.550 -0.634 0.000 0.348 471 Y C -0.416 175.394 175.900 -0.151 0.000 0.990 471 Y CA -1.175 56.758 58.100 -0.280 0.000 1.033 471 Y CB 2.255 40.422 38.460 -0.489 0.000 1.259 471 Y HN 0.239 nan 8.280 nan 0.000 0.461 472 V N 1.296 121.266 119.914 0.093 0.000 2.555 472 V HA 0.393 4.132 4.120 -0.634 0.000 0.302 472 V C 0.270 176.428 176.094 0.107 0.000 1.038 472 V CA -0.309 62.034 62.300 0.071 0.000 0.887 472 V CB 1.828 33.667 31.823 0.026 0.000 0.991 472 V HN 1.009 nan 8.190 nan 0.000 0.434 473 T N -1.723 112.890 114.554 0.099 0.000 3.058 473 T HA 0.253 4.222 4.350 -0.634 0.000 0.278 473 T C -0.003 174.725 174.700 0.047 0.000 0.974 473 T CA 0.110 62.264 62.100 0.089 0.000 0.893 473 T CB 0.060 68.996 68.868 0.113 0.000 1.138 473 T HN 0.708 nan 8.240 nan 0.000 0.529 474 D N 0.238 120.666 120.400 0.048 0.000 2.808 474 D HA 0.484 4.743 4.640 -0.634 0.000 0.249 474 D C 1.721 178.051 176.300 0.050 0.000 1.151 474 D CA -0.153 53.878 54.000 0.051 0.000 1.089 474 D CB -0.025 40.810 40.800 0.059 0.000 1.295 474 D HN -0.043 nan 8.370 nan 0.000 0.631 475 G N -0.908 107.933 108.800 0.068 0.000 2.501 475 G HA2 -0.202 3.377 3.960 -0.634 0.000 0.220 475 G HA3 -0.202 3.377 3.960 -0.634 0.000 0.220 475 G C 1.293 176.237 174.900 0.074 0.000 1.114 475 G CA 1.379 46.518 45.100 0.066 0.000 0.757 475 G HN 0.543 nan 8.290 nan 0.000 0.559 476 S N 0.242 115.991 115.700 0.082 0.000 2.474 476 S HA 0.056 4.146 4.470 -0.634 0.000 0.235 476 S C 2.159 176.799 174.600 0.066 0.000 0.997 476 S CA 0.558 58.816 58.200 0.096 0.000 0.949 476 S CB -0.250 62.990 63.200 0.066 0.000 0.766 476 S HN 0.323 nan 8.310 nan 0.000 0.517 477 L N 0.208 121.453 121.223 0.038 0.000 2.291 477 L HA 0.267 4.226 4.340 -0.634 0.000 0.214 477 L C 0.797 177.660 176.870 -0.011 0.000 1.120 477 L CA 0.467 55.314 54.840 0.013 0.000 0.799 477 L CB -0.392 41.667 42.059 0.001 0.000 0.925 477 L HN 0.298 nan 8.230 nan 0.000 0.446 478 I N 1.582 122.144 120.570 -0.013 0.000 2.441 478 I HA 0.099 3.889 4.170 -0.634 0.000 0.287 478 I C -1.706 174.376 176.117 -0.059 0.000 1.049 478 I CA -1.713 59.556 61.300 -0.051 0.000 1.381 478 I CB 1.141 39.112 38.000 -0.048 0.000 1.409 478 I HN -0.193 nan 8.210 nan 0.000 0.523 479 P HA 0.109 nan 4.420 nan 0.000 0.226 479 P C 0.775 178.028 177.300 -0.078 0.000 1.783 479 P CA 0.295 63.352 63.100 -0.071 0.000 0.980 479 P CB 0.160 31.805 31.700 -0.092 0.000 1.967 480 G N 0.029 108.760 108.800 -0.114 0.000 2.284 480 G HA2 -0.248 3.332 3.960 -0.634 0.000 0.261 480 G HA3 -0.248 3.332 3.960 -0.634 0.000 0.261 480 G C 0.170 174.983 174.900 -0.144 0.000 0.997 480 G CA 0.363 45.350 45.100 -0.189 0.000 0.621 480 G HN 0.799 nan 8.290 nan 0.000 0.534 481 S N -1.660 114.008 115.700 -0.054 0.000 2.543 481 S HA 0.591 4.681 4.470 -0.634 0.000 0.273 481 S C 0.336 174.981 174.600 0.075 0.000 1.152 481 S CA 0.617 58.848 58.200 0.050 0.000 0.910 481 S CB 1.778 65.103 63.200 0.208 0.000 1.105 481 S HN 1.682 nan 8.310 nan 0.000 0.465 482 V N 1.151 121.097 119.914 0.053 0.000 3.382 482 V HA 0.642 4.382 4.120 -0.634 0.000 0.296 482 V C 1.289 177.317 176.094 -0.110 0.000 1.529 482 V CA 0.584 62.912 62.300 0.047 0.000 1.048 482 V CB -0.083 31.716 31.823 -0.040 0.000 0.878 482 V HN 1.976 nan 8.190 nan 0.000 0.442 483 G N 0.894 109.438 108.800 -0.427 0.000 2.162 483 G HA2 -0.138 3.441 3.960 -0.634 0.000 0.260 483 G HA3 -0.138 3.441 3.960 -0.634 0.000 0.260 483 G C 0.261 174.510 174.900 -1.084 0.000 0.976 483 G CA 0.902 45.142 45.100 -1.433 0.000 0.655 483 G HN 1.950 nan 8.290 nan 0.000 0.533 484 V N -4.190 115.315 119.914 -0.683 0.000 3.130 484 V HA 0.798 4.538 4.120 -0.634 0.000 0.308 484 V C 0.374 176.174 176.094 -0.490 0.000 1.413 484 V CA -1.798 60.031 62.300 -0.786 0.000 1.053 484 V CB 1.303 32.610 31.823 -0.860 0.000 1.075 484 V HN 0.331 nan 8.190 nan 0.000 0.465 485 L N 2.947 123.883 121.223 -0.478 0.000 2.559 485 L HA 0.252 4.211 4.340 -0.634 0.000 0.274 485 L C -1.098 175.469 176.870 -0.505 0.000 1.205 485 L CA -0.582 53.965 54.840 -0.489 0.000 0.907 485 L CB 0.267 42.101 42.059 -0.374 0.000 1.153 485 L HN 0.674 nan 8.230 nan 0.000 0.490 486 P HA -0.116 nan 4.420 nan 0.000 0.235 486 P C 1.448 178.592 177.300 -0.260 0.000 1.177 486 P CA 0.690 63.607 63.100 -0.304 0.000 0.785 486 P CB 0.095 31.667 31.700 -0.214 0.000 0.885 487 F N -0.478 119.263 119.950 -0.349 0.000 2.293 487 F HA -0.017 4.129 4.527 -0.636 0.000 0.300 487 F C 1.742 177.309 175.800 -0.389 0.000 1.086 487 F CA 0.305 57.961 58.000 -0.574 0.000 1.375 487 F CB -1.993 36.331 39.000 -1.126 0.000 1.045 487 F HN -0.328 nan 8.300 nan 0.000 0.516 488 V N 0.845 120.631 119.914 -0.213 0.000 2.427 488 V HA -0.260 3.479 4.120 -0.634 0.000 0.248 488 V C 2.420 178.599 176.094 0.143 0.000 1.051 488 V CA 2.437 64.758 62.300 0.034 0.000 1.048 488 V CB -1.092 30.692 31.823 -0.067 0.000 0.666 488 V HN 0.516 nan 8.190 nan 0.000 0.456 489 T N 0.300 114.922 114.554 0.112 0.000 2.737 489 T HA -0.100 3.869 4.350 -0.634 0.000 0.265 489 T C 1.826 176.547 174.700 0.036 0.000 1.038 489 T CA 1.704 63.916 62.100 0.188 0.000 1.144 489 T CB -0.261 68.714 68.868 0.178 0.000 0.866 489 T HN 0.349 nan 8.240 nan 0.000 0.434 490 I N 1.284 121.855 120.570 0.000 0.000 2.208 490 I HA -0.212 3.578 4.170 -0.634 0.000 0.245 490 I C 2.688 178.796 176.117 -0.016 0.000 1.097 490 I CA 1.188 62.483 61.300 -0.009 0.000 1.363 490 I CB -0.745 37.252 38.000 -0.004 0.000 1.051 490 I HN 0.262 nan 8.210 nan 0.000 0.413 491 T N 0.654 115.212 114.554 0.007 0.000 2.737 491 T HA -0.125 3.844 4.350 -0.634 0.000 0.265 491 T C 2.089 176.752 174.700 -0.062 0.000 1.038 491 T CA 1.458 63.561 62.100 0.005 0.000 1.144 491 T CB -0.337 68.612 68.868 0.136 0.000 0.866 491 T HN 0.479 nan 8.240 nan 0.000 0.434 492 A N 1.247 123.997 122.820 -0.117 0.000 1.902 492 A HA 0.003 3.942 4.320 -0.634 0.000 0.217 492 A C 2.237 179.617 177.584 -0.341 0.000 1.181 492 A CA 1.182 53.038 52.037 -0.301 0.000 0.623 492 A CB -0.821 17.669 19.000 -0.850 0.000 0.818 492 A HN 0.386 nan 8.150 nan 0.000 0.443 493 L N -0.248 120.808 121.223 -0.279 0.000 2.083 493 L HA -0.076 3.884 4.340 -0.634 0.000 0.209 493 L C 2.625 179.377 176.870 -0.196 0.000 1.083 493 L CA 2.152 56.864 54.840 -0.214 0.000 0.752 493 L CB -0.701 41.304 42.059 -0.090 0.000 0.899 493 L HN 0.342 nan 8.230 nan 0.000 0.433 494 A N -1.284 121.450 122.820 -0.144 0.000 1.968 494 A HA -0.113 3.827 4.320 -0.634 0.000 0.217 494 A C 2.123 179.616 177.584 -0.151 0.000 1.169 494 A CA 1.199 53.164 52.037 -0.120 0.000 0.638 494 A CB -0.434 18.503 19.000 -0.105 0.000 0.812 494 A HN 0.503 nan 8.150 nan 0.000 0.446 495 E N -0.135 119.969 120.200 -0.161 0.000 2.051 495 E HA -0.225 3.744 4.350 -0.634 0.000 0.192 495 E C 2.214 178.611 176.600 -0.339 0.000 0.991 495 E CA 1.366 57.699 56.400 -0.111 0.000 0.799 495 E CB -0.355 29.390 29.700 0.076 0.000 0.748 495 E HN 0.707 nan 8.360 nan 0.000 0.449 496 R N 0.883 120.911 120.500 -0.787 0.000 2.091 496 R HA -0.142 3.817 4.340 -0.634 0.000 0.238 496 R C 1.874 177.957 176.300 -0.360 0.000 1.136 496 R CA 1.644 57.027 56.100 -1.195 0.000 0.959 496 R CB -0.025 29.634 30.300 -1.067 0.000 0.856 496 R HN 0.061 nan 8.270 nan 0.000 0.437 497 N N 0.274 118.870 118.700 -0.173 0.000 2.106 497 N HA -0.146 4.214 4.740 -0.634 0.000 0.188 497 N C 1.673 177.164 175.510 -0.030 0.000 1.029 497 N CA 1.287 54.358 53.050 0.035 0.000 0.848 497 N CB -0.561 37.948 38.487 0.038 0.000 1.007 497 N HN 0.096 nan 8.380 nan 0.000 0.423 498 V N 1.457 121.324 119.914 -0.078 0.000 2.626 498 V HA -0.148 3.592 4.120 -0.634 0.000 0.252 498 V C 2.206 178.237 176.094 -0.105 0.000 1.067 498 V CA 1.586 63.826 62.300 -0.100 0.000 1.081 498 V CB -0.258 31.478 31.823 -0.145 0.000 0.686 498 V HN 0.308 nan 8.190 nan 0.000 0.468 499 E N -0.037 120.116 120.200 -0.077 0.000 2.077 499 E HA -0.293 3.677 4.350 -0.634 0.000 0.193 499 E C 2.333 178.891 176.600 -0.070 0.000 0.989 499 E CA 1.420 57.799 56.400 -0.036 0.000 0.800 499 E CB -0.136 29.604 29.700 0.066 0.000 0.746 499 E HN 0.472 nan 8.360 nan 0.000 0.452 500 R N 0.791 121.223 120.500 -0.113 0.000 2.075 500 R HA -0.023 3.937 4.340 -0.634 0.000 0.232 500 R C 2.125 178.294 176.300 -0.219 0.000 1.126 500 R CA 1.399 57.366 56.100 -0.222 0.000 0.963 500 R CB -0.635 29.356 30.300 -0.516 0.000 0.858 500 R HN 0.283 nan 8.270 nan 0.000 0.435 501 I N 0.006 120.455 120.570 -0.201 0.000 2.226 501 I HA -0.259 3.530 4.170 -0.634 0.000 0.245 501 I C 2.087 178.101 176.117 -0.171 0.000 1.100 501 I CA 1.310 62.486 61.300 -0.207 0.000 1.374 501 I CB -0.198 37.586 38.000 -0.359 0.000 1.057 501 I HN 0.148 nan 8.210 nan 0.000 0.413 502 I N 0.446 120.922 120.570 -0.157 0.000 2.252 502 I HA -0.289 3.501 4.170 -0.634 0.000 0.245 502 I C 2.515 178.573 176.117 -0.098 0.000 1.102 502 I CA 1.415 62.630 61.300 -0.141 0.000 1.385 502 I CB -0.346 37.576 38.000 -0.130 0.000 1.064 502 I HN 0.137 nan 8.210 nan 0.000 0.414 503 K N 0.259 120.609 120.400 -0.084 0.000 2.032 503 K HA -0.209 3.730 4.320 -0.634 0.000 0.209 503 K C 2.105 178.674 176.600 -0.051 0.000 1.048 503 K CA 1.319 57.570 56.287 -0.060 0.000 0.927 503 K CB -0.060 32.405 32.500 -0.059 0.000 0.712 503 K HN 0.307 nan 8.250 nan 0.000 0.441 504 Q N -0.046 119.715 119.800 -0.066 0.000 2.376 504 Q HA -0.014 3.945 4.340 -0.634 0.000 0.206 504 Q C 0.787 176.790 176.000 0.006 0.000 0.921 504 Q CA 1.054 56.835 55.803 -0.037 0.000 0.911 504 Q CB 0.413 29.114 28.738 -0.061 0.000 1.032 504 Q HN 0.299 nan 8.270 nan 0.000 0.510 505 D N -0.591 119.815 120.400 0.011 0.000 2.422 505 D HA 0.095 4.355 4.640 -0.634 0.000 0.218 505 D C 0.583 176.946 176.300 0.105 0.000 1.047 505 D CA 0.160 54.215 54.000 0.092 0.000 0.885 505 D CB 1.047 41.942 40.800 0.158 0.000 1.035 505 D HN -0.101 nan 8.370 nan 0.000 0.502 506 V N 0.000 119.894 119.914 -0.033 0.000 2.409 506 V HA 0.000 3.740 4.120 -0.634 0.000 0.244 506 V CA 0.000 62.221 62.300 -0.132 0.000 1.235 506 V CB 0.000 31.598 31.823 -0.376 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556