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 3p9p_1_C DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGVHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PCGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 28 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 29 L N 1.156 122.336 121.223 -0.072 0.000 2.375 29 L HA 0.494 4.875 4.340 0.069 0.000 0.215 29 L C 1.615 178.409 176.870 -0.127 0.000 1.108 29 L CA 0.630 55.422 54.840 -0.079 0.000 0.830 29 L CB -0.471 41.552 42.059 -0.060 0.000 0.959 29 L HN 0.593 nan 8.230 nan 0.000 0.457 30 A N 1.701 124.394 122.820 -0.212 0.000 2.483 30 A HA 0.313 4.674 4.320 0.069 0.000 0.238 30 A C -1.944 175.495 177.584 -0.242 0.000 1.070 30 A CA -0.916 50.875 52.037 -0.409 0.000 0.770 30 A CB -0.631 17.862 19.000 -0.846 0.000 1.008 30 A HN 0.014 nan 8.150 nan 0.000 0.497 31 P HA 0.080 nan 4.420 nan 0.000 0.268 31 P C 0.228 177.515 177.300 -0.022 0.000 1.205 31 P CA -0.003 63.065 63.100 -0.052 0.000 0.771 31 P CB 0.805 32.513 31.700 0.013 0.000 0.858 32 E N 1.734 121.930 120.200 -0.008 0.000 2.160 32 E HA -0.224 4.167 4.350 0.069 0.000 0.195 32 E C 1.074 177.696 176.600 0.036 0.000 0.991 32 E CA 1.787 58.192 56.400 0.008 0.000 0.810 32 E CB -0.404 29.298 29.700 0.002 0.000 0.742 32 E HN 0.536 nan 8.360 nan 0.000 0.466 33 D N -1.797 118.631 120.400 0.047 0.000 2.349 33 D HA 0.067 4.748 4.640 0.069 0.000 0.224 33 D C 1.235 177.585 176.300 0.083 0.000 1.029 33 D CA 0.743 54.775 54.000 0.053 0.000 0.879 33 D CB -0.195 40.628 40.800 0.038 0.000 0.906 33 D HN 0.217 nan 8.370 nan 0.000 0.528 34 G N 0.376 109.272 108.800 0.160 0.000 2.148 34 G HA2 -0.360 3.642 3.960 0.069 0.000 0.254 34 G HA3 -0.360 3.642 3.960 0.069 0.000 0.254 34 G C 1.055 176.030 174.900 0.125 0.000 0.981 34 G CA 0.800 46.026 45.100 0.209 0.000 0.670 34 G HN 0.704 nan 8.290 nan 0.000 0.528 35 S N 0.579 116.374 115.700 0.160 0.000 2.607 35 S HA -0.008 4.503 4.470 0.069 0.000 0.224 35 S C 1.895 176.546 174.600 0.085 0.000 0.969 35 S CA 1.109 59.354 58.200 0.076 0.000 0.927 35 S CB -0.538 62.699 63.200 0.062 0.000 0.772 35 S HN 0.931 nan 8.310 nan 0.000 0.533 36 H N 0.809 119.885 119.070 0.011 0.000 2.502 36 H HA 0.267 4.864 4.556 0.069 0.000 0.283 36 H C 0.790 176.129 175.328 0.019 0.000 1.015 36 H CA 0.299 56.354 56.048 0.013 0.000 1.298 36 H CB -0.296 29.473 29.762 0.011 0.000 1.411 36 H HN 0.320 nan 8.280 nan 0.000 0.556 37 R N 2.205 122.400 120.500 -0.508 0.000 2.255 37 R HA 0.362 4.744 4.340 0.069 0.000 0.326 37 R C -2.633 173.574 176.300 -0.156 0.000 0.986 37 R CA -1.988 53.881 56.100 -0.385 0.000 0.847 37 R CB 0.927 30.909 30.300 -0.529 0.000 1.111 37 R HN 0.096 nan 8.270 nan 0.000 0.452 38 P HA 0.098 nan 4.420 nan 0.000 0.268 38 P C -1.038 176.252 177.300 -0.016 0.000 1.205 38 P CA -0.168 62.922 63.100 -0.017 0.000 0.771 38 P CB 1.051 32.766 31.700 0.026 0.000 0.858 39 A N 3.204 126.020 122.820 -0.007 0.000 2.546 39 A HA 0.324 4.685 4.320 0.069 0.000 0.243 39 A C 0.917 178.510 177.584 0.015 0.000 1.063 39 A CA 0.299 52.336 52.037 -0.000 0.000 0.757 39 A CB -0.458 18.544 19.000 0.004 0.000 0.991 39 A HN 0.577 nan 8.150 nan 0.000 0.503 40 A N 3.341 126.169 122.820 0.014 0.000 3.135 40 A HA 0.504 4.866 4.320 0.069 0.000 0.253 40 A C 0.365 177.965 177.584 0.027 0.000 1.638 40 A CA 0.200 52.251 52.037 0.024 0.000 1.295 40 A CB -0.805 18.206 19.000 0.019 0.000 1.106 40 A HN 0.938 nan 8.150 nan 0.000 0.648 41 E N -0.919 119.299 120.200 0.030 0.000 2.401 41 E HA 0.470 4.862 4.350 0.069 0.000 0.280 41 E C -3.315 173.305 176.600 0.032 0.000 1.039 41 E CA -2.404 54.015 56.400 0.031 0.000 0.814 41 E CB 0.575 30.288 29.700 0.022 0.000 1.275 41 E HN 0.030 nan 8.360 nan 0.000 0.448 42 P HA 0.092 nan 4.420 nan 0.000 0.267 42 P C -0.841 176.463 177.300 0.006 0.000 1.205 42 P CA 0.370 63.479 63.100 0.016 0.000 0.765 42 P CB 0.556 32.254 31.700 -0.003 0.000 0.828 43 T N 0.920 115.474 114.554 -0.000 0.000 2.900 43 T HA 0.660 5.052 4.350 0.069 0.000 0.303 43 T C -2.984 171.686 174.700 -0.050 0.000 1.142 43 T CA -2.496 59.598 62.100 -0.009 0.000 1.007 43 T CB 1.927 70.796 68.868 0.002 0.000 1.156 43 T HN 0.079 nan 8.240 nan 0.000 0.490 44 P HA 0.434 nan 4.420 nan 0.000 0.276 44 P C -2.841 174.319 177.300 -0.233 0.000 1.252 44 P CA -1.861 61.092 63.100 -0.245 0.000 0.802 44 P CB -0.660 30.952 31.700 -0.147 0.000 1.035 45 P HA 0.080 nan 4.420 nan 0.000 0.265 45 P C 1.038 178.290 177.300 -0.080 0.000 1.193 45 P CA 1.480 64.482 63.100 -0.162 0.000 0.765 45 P CB -0.218 31.384 31.700 -0.163 0.000 0.823 46 G N 2.769 111.550 108.800 -0.031 0.000 2.225 46 G HA2 -0.339 3.662 3.960 0.069 0.000 0.254 46 G HA3 -0.339 3.662 3.960 0.069 0.000 0.254 46 G C 1.135 176.031 174.900 -0.005 0.000 0.988 46 G CA 0.382 45.477 45.100 -0.008 0.000 0.625 46 G HN 0.660 nan 8.290 nan 0.000 0.527 47 A N -1.197 121.615 122.820 -0.013 0.000 2.016 47 A HA 0.456 4.817 4.320 0.069 0.000 0.217 47 A C 1.280 178.866 177.584 0.004 0.000 1.162 47 A CA 2.001 54.036 52.037 -0.005 0.000 0.662 47 A CB 0.033 19.028 19.000 -0.009 0.000 0.812 47 A HN 0.498 nan 8.150 nan 0.000 0.450 48 Q N -1.248 118.558 119.800 0.009 0.000 2.462 48 Q HA 0.414 4.796 4.340 0.069 0.000 0.285 48 Q C -3.023 172.992 176.000 0.024 0.000 1.035 48 Q CA -1.803 54.010 55.803 0.016 0.000 0.799 48 Q CB 1.182 29.932 28.738 0.020 0.000 1.452 48 Q HN 0.059 nan 8.270 nan 0.000 0.404 49 P HA 0.099 nan 4.420 nan 0.000 0.272 49 P C -0.309 177.025 177.300 0.056 0.000 1.223 49 P CA -0.046 63.070 63.100 0.027 0.000 0.784 49 P CB 0.280 31.993 31.700 0.022 0.000 0.923 50 T N -1.267 113.321 114.554 0.057 0.000 2.828 50 T HA 0.647 5.039 4.350 0.069 0.000 0.290 50 T C -0.077 174.713 174.700 0.151 0.000 1.019 50 T CA -0.562 61.623 62.100 0.142 0.000 1.031 50 T CB 0.744 69.646 68.868 0.057 0.000 1.001 50 T HN 0.569 nan 8.240 nan 0.000 0.531 51 A N 1.569 124.573 122.820 0.307 0.000 2.594 51 A HA 0.788 5.149 4.320 0.069 0.000 0.291 51 A C -3.048 174.793 177.584 0.427 0.000 1.105 51 A CA -2.098 50.098 52.037 0.264 0.000 0.694 51 A CB 0.625 19.729 19.000 0.173 0.000 1.291 51 A HN 0.655 nan 8.150 nan 0.000 0.410 52 P HA 0.112 nan 4.420 nan 0.000 0.265 52 P C 1.183 178.637 177.300 0.258 0.000 1.187 52 P CA 0.912 64.226 63.100 0.357 0.000 0.766 52 P CB 0.588 32.422 31.700 0.224 0.000 0.820 53 G N 1.752 110.669 108.800 0.195 0.000 2.422 53 G HA2 -0.252 3.749 3.960 0.069 0.000 0.218 53 G HA3 -0.252 3.749 3.960 0.069 0.000 0.218 53 G C 1.495 176.417 174.900 0.036 0.000 1.146 53 G CA 0.974 46.098 45.100 0.041 0.000 0.769 53 G HN 0.589 nan 8.290 nan 0.000 0.547 54 S N -0.023 115.704 115.700 0.044 0.000 2.481 54 S HA 0.156 4.668 4.470 0.069 0.000 0.231 54 S C 2.195 176.817 174.600 0.037 0.000 0.996 54 S CA 0.543 58.754 58.200 0.018 0.000 0.942 54 S CB -0.153 63.050 63.200 0.005 0.000 0.768 54 S HN 0.305 nan 8.310 nan 0.000 0.520 55 L N -0.028 121.234 121.223 0.065 0.000 2.202 55 L HA 0.235 4.617 4.340 0.069 0.000 0.205 55 L C 2.708 179.614 176.870 0.060 0.000 1.083 55 L CA 0.892 55.769 54.840 0.062 0.000 0.790 55 L CB -0.363 41.743 42.059 0.077 0.000 0.942 55 L HN 0.249 nan 8.230 nan 0.000 0.452 56 K N 1.392 121.839 120.400 0.077 0.000 2.103 56 K HA 0.022 4.384 4.320 0.069 0.000 0.204 56 K C 0.774 177.405 176.600 0.052 0.000 1.052 56 K CA 1.303 57.635 56.287 0.074 0.000 0.945 56 K CB 0.082 32.642 32.500 0.100 0.000 0.722 56 K HN 0.152 nan 8.250 nan 0.000 0.443 57 A N 0.835 123.679 122.820 0.040 0.000 3.297 57 A HA 0.352 4.714 4.320 0.069 0.000 0.304 57 A C -2.144 175.449 177.584 0.014 0.000 0.963 57 A CA -1.016 51.041 52.037 0.033 0.000 0.935 57 A CB 0.525 19.550 19.000 0.042 0.000 1.093 57 A HN 0.152 nan 8.150 nan 0.000 0.480 58 P HA -0.142 nan 4.420 nan 0.000 0.220 58 P C 0.237 177.533 177.300 -0.007 0.000 1.148 58 P CA 1.143 64.245 63.100 0.003 0.000 0.803 58 P CB 0.282 31.988 31.700 0.009 0.000 0.782 59 D N -0.688 119.713 120.400 0.001 0.000 2.347 59 D HA -0.013 4.668 4.640 0.069 0.000 0.215 59 D C 0.530 176.818 176.300 -0.019 0.000 0.976 59 D CA 0.758 54.755 54.000 -0.005 0.000 0.884 59 D CB -0.526 40.278 40.800 0.006 0.000 0.915 59 D HN 0.165 nan 8.370 nan 0.000 0.526 60 T N 2.368 116.909 114.554 -0.023 0.000 2.832 60 T HA 0.329 4.721 4.350 0.069 0.000 0.296 60 T C 0.535 175.191 174.700 -0.074 0.000 0.968 60 T CA -0.453 61.619 62.100 -0.047 0.000 1.107 60 T CB 1.411 70.251 68.868 -0.046 0.000 0.916 60 T HN 0.113 nan 8.240 nan 0.000 0.517 61 R N 1.866 122.312 120.500 -0.091 0.000 2.739 61 R HA 0.609 4.990 4.340 0.069 0.000 0.271 61 R C -1.475 174.760 176.300 -0.109 0.000 1.010 61 R CA -0.918 55.123 56.100 -0.099 0.000 0.897 61 R CB 1.217 31.468 30.300 -0.081 0.000 1.236 61 R HN 0.763 nan 8.270 nan 0.000 0.466 62 N N -1.529 117.111 118.700 -0.100 0.000 3.179 62 N HA 0.079 4.861 4.740 0.069 0.000 0.250 62 N C 0.014 175.480 175.510 -0.075 0.000 1.507 62 N CA -0.490 52.515 53.050 -0.076 0.000 0.883 62 N CB 0.616 39.088 38.487 -0.025 0.000 1.435 62 N HN 0.710 nan 8.380 nan 0.000 0.532 63 E N -0.372 119.800 120.200 -0.046 0.000 2.150 63 E HA -0.213 4.179 4.350 0.069 0.000 0.193 63 E C 1.070 177.603 176.600 -0.111 0.000 0.985 63 E CA 1.266 57.634 56.400 -0.053 0.000 0.814 63 E CB 0.085 29.780 29.700 -0.008 0.000 0.752 63 E HN 0.473 nan 8.360 nan 0.000 0.466 64 K N 0.741 121.039 120.400 -0.171 0.000 2.062 64 K HA -0.058 4.304 4.320 0.069 0.000 0.205 64 K C 2.051 178.488 176.600 -0.273 0.000 1.051 64 K CA 1.072 57.166 56.287 -0.322 0.000 0.941 64 K CB -0.343 31.811 32.500 -0.578 0.000 0.719 64 K HN 0.185 nan 8.250 nan 0.000 0.440 65 L N 0.914 121.989 121.223 -0.246 0.000 2.131 65 L HA -0.192 4.190 4.340 0.069 0.000 0.210 65 L C 1.716 178.475 176.870 -0.185 0.000 1.092 65 L CA 1.143 55.816 54.840 -0.278 0.000 0.759 65 L CB -0.564 41.327 42.059 -0.280 0.000 0.903 65 L HN 0.242 nan 8.230 nan 0.000 0.435 66 N N -0.400 118.215 118.700 -0.140 0.000 2.188 66 N HA -0.140 4.641 4.740 0.069 0.000 0.184 66 N C 2.074 177.528 175.510 -0.094 0.000 1.018 66 N CA 1.586 54.576 53.050 -0.100 0.000 0.858 66 N CB -0.382 38.059 38.487 -0.076 0.000 0.989 66 N HN 0.356 nan 8.380 nan 0.000 0.426 67 S N 0.304 115.938 115.700 -0.110 0.000 2.481 67 S HA 0.041 4.552 4.470 0.069 0.000 0.231 67 S C 1.735 176.276 174.600 -0.099 0.000 0.996 67 S CA 0.383 58.527 58.200 -0.095 0.000 0.942 67 S CB -0.449 62.691 63.200 -0.099 0.000 0.768 67 S HN 0.230 nan 8.310 nan 0.000 0.520 68 L N 0.854 122.001 121.223 -0.127 0.000 2.599 68 L HA 0.221 4.603 4.340 0.069 0.000 0.230 68 L C 2.542 179.366 176.870 -0.077 0.000 1.141 68 L CA 0.482 55.256 54.840 -0.109 0.000 0.877 68 L CB -0.341 41.635 42.059 -0.140 0.000 1.009 68 L HN 0.276 nan 8.230 nan 0.000 0.447 69 E N 1.146 121.304 120.200 -0.070 0.000 2.153 69 E HA -0.253 4.139 4.350 0.069 0.000 0.194 69 E C 1.703 178.283 176.600 -0.033 0.000 0.988 69 E CA 1.471 57.842 56.400 -0.048 0.000 0.811 69 E CB -0.027 29.646 29.700 -0.044 0.000 0.746 69 E HN 0.551 nan 8.360 nan 0.000 0.466 70 D N -0.357 120.023 120.400 -0.034 0.000 2.309 70 D HA -0.137 4.545 4.640 0.069 0.000 0.212 70 D C 1.544 177.831 176.300 -0.022 0.000 0.968 70 D CA 1.407 55.392 54.000 -0.025 0.000 0.882 70 D CB -0.221 40.563 40.800 -0.026 0.000 0.918 70 D HN 0.293 nan 8.370 nan 0.000 0.503 71 V N -3.593 116.306 119.914 -0.024 0.000 3.528 71 V HA 0.342 4.503 4.120 0.069 0.000 0.294 71 V C 0.774 176.862 176.094 -0.010 0.000 1.404 71 V CA -0.730 61.560 62.300 -0.015 0.000 1.065 71 V CB -0.548 31.267 31.823 -0.014 0.000 0.904 71 V HN -0.162 nan 8.190 nan 0.000 0.435 72 R N 2.188 122.680 120.500 -0.013 0.000 2.442 72 R HA 0.431 4.813 4.340 0.069 0.000 0.291 72 R C -0.382 175.918 176.300 0.001 0.000 1.069 72 R CA 0.168 56.268 56.100 -0.000 0.000 1.022 72 R CB 0.625 30.925 30.300 -0.001 0.000 0.976 72 R HN 0.450 nan 8.270 nan 0.000 0.443 73 K N 1.311 121.715 120.400 0.007 0.000 2.292 73 K HA 0.311 4.673 4.320 0.069 0.000 0.257 73 K C 0.214 176.825 176.600 0.020 0.000 0.940 73 K CA -0.542 55.737 56.287 -0.014 0.000 0.811 73 K CB 2.321 34.800 32.500 -0.035 0.000 1.120 73 K HN 0.685 nan 8.250 nan 0.000 0.428 74 G N 0.219 109.043 108.800 0.040 0.000 2.509 74 G HA2 0.277 4.279 3.960 0.069 0.000 0.269 74 G HA3 0.277 4.279 3.960 0.069 0.000 0.269 74 G C 0.541 175.534 174.900 0.155 0.000 1.416 74 G CA 0.163 45.344 45.100 0.135 0.000 1.052 74 G HN 0.653 nan 8.290 nan 0.000 0.542 75 S N -2.695 113.185 115.700 0.300 0.000 2.707 75 S HA 0.097 4.609 4.470 0.069 0.000 0.224 75 S C 0.192 174.966 174.600 0.289 0.000 0.931 75 S CA -0.111 58.262 58.200 0.287 0.000 1.243 75 S CB -0.030 63.255 63.200 0.142 0.000 0.949 75 S HN 0.492 nan 8.310 nan 0.000 0.384 76 E N 2.897 123.188 120.200 0.152 0.000 2.415 76 E HA 0.330 4.721 4.350 0.069 0.000 0.263 76 E C -0.209 176.318 176.600 -0.122 0.000 0.995 76 E CA 0.234 56.652 56.400 0.029 0.000 0.915 76 E CB 0.097 29.805 29.700 0.014 0.000 0.951 76 E HN 0.404 nan 8.360 nan 0.000 0.449 77 N N 0.725 119.364 118.700 -0.102 0.000 2.965 77 N HA -0.199 4.583 4.740 0.069 0.000 0.232 77 N C -1.103 174.276 175.510 -0.219 0.000 0.913 77 N CA 1.049 53.991 53.050 -0.180 0.000 0.981 77 N CB -1.273 37.067 38.487 -0.245 0.000 1.077 77 N HN 0.385 nan 8.380 nan 0.000 0.589 78 Y N 0.836 121.143 120.300 0.010 0.000 2.376 78 Y HA 0.638 5.231 4.550 0.071 0.000 0.325 78 Y C 1.071 176.974 175.900 0.006 0.000 1.199 78 Y CA -0.358 57.747 58.100 0.008 0.000 1.206 78 Y CB 0.875 39.340 38.460 0.009 0.000 1.229 78 Y HN 0.118 nan 8.280 nan 0.000 0.480 79 A N 2.332 125.268 122.820 0.192 0.000 2.351 79 A HA 0.437 4.799 4.320 0.069 0.000 0.257 79 A C -0.806 176.828 177.584 0.082 0.000 1.087 79 A CA -0.543 51.554 52.037 0.101 0.000 0.798 79 A CB 0.179 19.224 19.000 0.076 0.000 1.033 79 A HN 0.713 nan 8.150 nan 0.000 0.488 80 L N 2.168 123.419 121.223 0.048 0.000 2.367 80 L HA 0.549 4.930 4.340 0.069 0.000 0.275 80 L C 0.604 177.483 176.870 0.015 0.000 1.129 80 L CA 1.016 55.871 54.840 0.025 0.000 0.839 80 L CB 0.671 42.737 42.059 0.011 0.000 1.133 80 L HN 0.921 nan 8.230 nan 0.000 0.453 81 T N 0.312 114.870 114.554 0.006 0.000 2.887 81 T HA 0.646 5.037 4.350 0.069 0.000 0.292 81 T C 0.175 174.878 174.700 0.005 0.000 1.087 81 T CA -0.171 61.935 62.100 0.010 0.000 1.009 81 T CB 1.066 69.942 68.868 0.013 0.000 1.203 81 T HN 0.819 nan 8.240 nan 0.000 0.518 82 T N 0.362 114.933 114.554 0.029 0.000 2.701 82 T HA 0.207 4.599 4.350 0.069 0.000 0.303 82 T C 1.066 175.784 174.700 0.028 0.000 1.030 82 T CA -0.479 61.647 62.100 0.043 0.000 1.010 82 T CB -0.072 68.865 68.868 0.114 0.000 1.007 82 T HN 0.574 nan 8.240 nan 0.000 0.532 83 N N 0.538 119.257 118.700 0.033 0.000 2.520 83 N HA -0.062 4.719 4.740 0.069 0.000 0.185 83 N C 1.427 176.956 175.510 0.032 0.000 1.068 83 N CA 0.531 53.593 53.050 0.020 0.000 0.911 83 N CB -0.135 38.371 38.487 0.033 0.000 0.961 83 N HN 0.563 nan 8.380 nan 0.000 0.446 84 Q N -0.516 119.315 119.800 0.052 0.000 2.320 84 Q HA 0.204 4.585 4.340 0.069 0.000 0.201 84 Q C 0.832 176.854 176.000 0.035 0.000 0.910 84 Q CA 0.081 55.909 55.803 0.042 0.000 0.946 84 Q CB 0.420 29.189 28.738 0.050 0.000 1.062 84 Q HN 0.390 nan 8.270 nan 0.000 0.503 85 G N 0.427 109.246 108.800 0.033 0.000 2.157 85 G HA2 -0.249 3.753 3.960 0.069 0.000 0.248 85 G HA3 -0.249 3.753 3.960 0.069 0.000 0.248 85 G C 0.183 175.108 174.900 0.042 0.000 0.979 85 G CA 0.168 45.282 45.100 0.024 0.000 0.650 85 G HN 0.243 nan 8.290 nan 0.000 0.529 86 V N 1.760 121.715 119.914 0.069 0.000 2.488 86 V HA 0.324 4.486 4.120 0.069 0.000 0.277 86 V C 1.349 177.483 176.094 0.066 0.000 1.046 86 V CA -0.389 61.964 62.300 0.088 0.000 0.986 86 V CB 1.044 32.967 31.823 0.166 0.000 0.989 86 V HN 0.399 nan 8.190 nan 0.000 0.475 87 R N 4.304 124.835 120.500 0.051 0.000 2.537 87 R HA 0.365 4.746 4.340 0.069 0.000 0.280 87 R C -0.489 175.824 176.300 0.021 0.000 1.058 87 R CA -0.119 56.002 56.100 0.035 0.000 1.057 87 R CB 0.534 30.855 30.300 0.034 0.000 0.973 87 R HN 0.580 nan 8.270 nan 0.000 0.438 88 I N 2.125 122.697 120.570 0.002 0.000 2.353 88 I HA 0.116 4.328 4.170 0.069 0.000 0.293 88 I C 0.956 177.061 176.117 -0.019 0.000 0.992 88 I CA 0.079 61.364 61.300 -0.025 0.000 1.268 88 I CB 1.863 39.839 38.000 -0.041 0.000 1.387 88 I HN 0.770 nan 8.210 nan 0.000 0.478 89 A N 4.038 126.842 122.820 -0.027 0.000 1.924 89 A HA 0.036 4.398 4.320 0.069 0.000 0.211 89 A C 0.642 178.209 177.584 -0.028 0.000 1.198 89 A CA 0.805 52.830 52.037 -0.020 0.000 0.657 89 A CB 0.097 19.087 19.000 -0.017 0.000 0.852 89 A HN 0.673 nan 8.150 nan 0.000 0.454 90 D N -0.477 119.897 120.400 -0.042 0.000 2.440 90 D HA 0.329 5.011 4.640 0.069 0.000 0.252 90 D C -1.326 174.942 176.300 -0.055 0.000 1.180 90 D CA -0.345 53.630 54.000 -0.043 0.000 0.894 90 D CB 1.226 42.000 40.800 -0.043 0.000 1.111 90 D HN 0.056 nan 8.370 nan 0.000 0.544 91 D N 1.989 122.360 120.400 -0.048 0.000 2.395 91 D HA 0.051 4.732 4.640 0.069 0.000 0.226 91 D C 0.587 176.856 176.300 -0.052 0.000 1.146 91 D CA 0.272 54.240 54.000 -0.053 0.000 0.830 91 D CB 0.499 41.273 40.800 -0.044 0.000 0.958 91 D HN 0.222 nan 8.370 nan 0.000 0.501 92 Q N -0.587 119.183 119.800 -0.049 0.000 2.246 92 Q HA 0.272 4.654 4.340 0.069 0.000 0.222 92 Q C -0.241 175.729 176.000 -0.049 0.000 0.851 92 Q CA 0.137 55.912 55.803 -0.047 0.000 0.945 92 Q CB 0.818 29.533 28.738 -0.038 0.000 1.122 92 Q HN 0.201 nan 8.270 nan 0.000 0.508 93 N N 0.132 118.801 118.700 -0.053 0.000 2.264 93 N HA 0.296 5.077 4.740 0.069 0.000 0.288 93 N C -0.952 174.524 175.510 -0.058 0.000 1.094 93 N CA -0.206 52.814 53.050 -0.050 0.000 0.817 93 N CB 2.149 40.611 38.487 -0.041 0.000 1.604 93 N HN -0.169 nan 8.380 nan 0.000 0.473 94 S N 0.810 116.479 115.700 -0.052 0.000 2.614 94 S HA 0.246 4.757 4.470 0.069 0.000 0.265 94 S C 0.194 174.767 174.600 -0.045 0.000 1.303 94 S CA -0.542 57.627 58.200 -0.052 0.000 1.000 94 S CB 0.674 63.849 63.200 -0.041 0.000 0.935 94 S HN 0.398 nan 8.310 nan 0.000 0.551 95 L N 3.237 124.433 121.223 -0.045 0.000 2.313 95 L HA 0.402 4.784 4.340 0.069 0.000 0.282 95 L C 0.130 176.990 176.870 -0.016 0.000 1.092 95 L CA 0.364 55.186 54.840 -0.031 0.000 0.831 95 L CB -0.172 41.869 42.059 -0.030 0.000 1.159 95 L HN 0.710 nan 8.230 nan 0.000 0.442 96 R N 4.199 124.692 120.500 -0.013 0.000 2.888 96 R HA 0.880 5.261 4.340 0.069 0.000 0.264 96 R C -1.107 175.191 176.300 -0.003 0.000 1.045 96 R CA -0.896 55.200 56.100 -0.007 0.000 0.962 96 R CB 1.102 31.395 30.300 -0.010 0.000 1.210 96 R HN 0.572 nan 8.270 nan 0.000 0.479 97 A N 1.131 123.950 122.820 -0.001 0.000 2.650 97 A HA 0.590 4.951 4.320 0.069 0.000 0.320 97 A C 0.543 178.126 177.584 -0.001 0.000 1.466 97 A CA 0.226 52.263 52.037 0.001 0.000 1.099 97 A CB -0.785 18.217 19.000 0.004 0.000 1.136 97 A HN 1.195 nan 8.150 nan 0.000 0.532 98 G N 1.162 109.961 108.800 -0.002 0.000 2.705 98 G HA2 0.028 4.030 3.960 0.069 0.000 0.686 98 G HA3 0.028 4.030 3.960 0.069 0.000 0.686 98 G C 0.681 175.578 174.900 -0.006 0.000 1.285 98 G CA 0.135 45.233 45.100 -0.004 0.000 0.800 98 G HN 1.859 nan 8.290 nan 0.000 0.611 99 S N -0.285 115.410 115.700 -0.007 0.000 2.515 99 S HA 0.033 4.545 4.470 0.069 0.000 0.231 99 S C 1.487 176.080 174.600 -0.010 0.000 0.987 99 S CA 1.323 59.517 58.200 -0.010 0.000 0.936 99 S CB 0.089 63.283 63.200 -0.010 0.000 0.766 99 S HN 0.740 nan 8.310 nan 0.000 0.528 100 R N 0.788 121.283 120.500 -0.008 0.000 2.652 100 R HA 0.354 4.736 4.340 0.069 0.000 0.372 100 R C 0.817 177.113 176.300 -0.007 0.000 1.104 100 R CA 0.009 56.104 56.100 -0.008 0.000 1.072 100 R CB 0.849 31.145 30.300 -0.007 0.000 1.367 100 R HN 0.444 nan 8.270 nan 0.000 0.577 101 G N 1.445 110.241 108.800 -0.006 0.000 2.642 101 G HA2 0.420 4.421 3.960 0.069 0.000 0.291 101 G HA3 0.420 4.421 3.960 0.069 0.000 0.291 101 G C -2.462 172.435 174.900 -0.004 0.000 1.345 101 G CA -1.123 43.975 45.100 -0.004 0.000 1.043 101 G HN -0.105 nan 8.290 nan 0.000 0.528 102 P HA 0.235 nan 4.420 nan 0.000 0.275 102 P C -0.217 177.082 177.300 -0.001 0.000 1.228 102 P CA -0.065 63.034 63.100 -0.001 0.000 0.786 102 P CB 0.829 32.530 31.700 0.002 0.000 0.927 103 T N 2.669 117.222 114.554 -0.002 0.000 2.901 103 T HA 0.246 4.638 4.350 0.069 0.000 0.301 103 T C 0.488 175.190 174.700 0.005 0.000 1.012 103 T CA -0.074 62.024 62.100 -0.003 0.000 1.135 103 T CB -0.036 68.829 68.868 -0.006 0.000 0.936 103 T HN 0.184 nan 8.240 nan 0.000 0.539 104 L N 3.590 124.818 121.223 0.008 0.000 2.325 104 L HA 0.323 4.704 4.340 0.069 0.000 0.279 104 L C 1.385 178.272 176.870 0.028 0.000 1.054 104 L CA -0.783 54.068 54.840 0.018 0.000 0.804 104 L CB 0.986 43.058 42.059 0.021 0.000 1.200 104 L HN 0.517 nan 8.230 nan 0.000 0.436 105 L N 2.247 123.490 121.223 0.034 0.000 2.191 105 L HA -0.180 4.201 4.340 0.069 0.000 0.212 105 L C 2.268 179.178 176.870 0.067 0.000 1.103 105 L CA 1.615 56.482 54.840 0.045 0.000 0.769 105 L CB -0.542 41.541 42.059 0.039 0.000 0.908 105 L HN 0.784 nan 8.230 nan 0.000 0.438 106 E N -1.657 118.587 120.200 0.073 0.000 2.516 106 E HA -0.167 4.225 4.350 0.069 0.000 0.199 106 E C 0.232 176.936 176.600 0.174 0.000 1.069 106 E CA 0.217 56.687 56.400 0.117 0.000 0.876 106 E CB -0.493 29.269 29.700 0.102 0.000 0.843 106 E HN 0.350 nan 8.360 nan 0.000 0.530 107 D N 1.190 121.646 120.400 0.094 0.000 2.455 107 D HA -0.046 4.636 4.640 0.069 0.000 0.234 107 D C 0.400 176.730 176.300 0.050 0.000 1.224 107 D CA -0.435 53.578 54.000 0.022 0.000 0.999 107 D CB -0.134 40.646 40.800 -0.033 0.000 1.072 107 D HN 0.313 nan 8.370 nan 0.000 0.514 108 F N 1.961 121.919 119.950 0.014 0.000 2.407 108 F HA 0.082 4.647 4.527 0.064 0.000 0.299 108 F C 1.643 177.455 175.800 0.020 0.000 1.097 108 F CA 0.130 58.142 58.000 0.019 0.000 1.422 108 F CB -0.601 38.410 39.000 0.018 0.000 1.067 108 F HN 0.178 nan 8.300 nan 0.000 0.539 109 I N 0.461 120.665 120.570 -0.610 0.000 2.202 109 I HA -0.206 4.006 4.170 0.069 0.000 0.242 109 I C 2.485 178.513 176.117 -0.149 0.000 1.091 109 I CA 1.120 62.177 61.300 -0.404 0.000 1.368 109 I CB -0.512 37.176 38.000 -0.519 0.000 1.058 109 I HN 0.282 nan 8.210 nan 0.000 0.410 110 L N 1.043 122.187 121.223 -0.131 0.000 2.017 110 L HA -0.177 4.204 4.340 0.069 0.000 0.208 110 L C 2.599 179.467 176.870 -0.004 0.000 1.073 110 L CA 1.842 56.645 54.840 -0.062 0.000 0.745 110 L CB -0.573 41.452 42.059 -0.055 0.000 0.894 110 L HN 0.045 nan 8.230 nan 0.000 0.432 111 R N -0.640 119.878 120.500 0.028 0.000 2.092 111 R HA -0.146 4.236 4.340 0.069 0.000 0.231 111 R C 2.291 178.652 176.300 0.103 0.000 1.119 111 R CA 1.349 57.493 56.100 0.073 0.000 0.970 111 R CB -0.304 30.052 30.300 0.094 0.000 0.864 111 R HN 0.576 nan 8.270 nan 0.000 0.440 112 E N 1.191 121.458 120.200 0.112 0.000 2.077 112 E HA -0.238 4.153 4.350 0.069 0.000 0.193 112 E C 1.902 178.584 176.600 0.136 0.000 0.989 112 E CA 1.242 57.724 56.400 0.135 0.000 0.800 112 E CB 0.123 29.908 29.700 0.141 0.000 0.746 112 E HN 0.140 nan 8.360 nan 0.000 0.452 113 K N 0.251 120.701 120.400 0.084 0.000 2.057 113 K HA -0.124 4.237 4.320 0.069 0.000 0.206 113 K C 2.110 178.792 176.600 0.137 0.000 1.050 113 K CA 1.188 57.525 56.287 0.083 0.000 0.935 113 K CB 0.000 32.506 32.500 0.010 0.000 0.715 113 K HN 0.144 nan 8.250 nan 0.000 0.439 114 I N 1.313 121.942 120.570 0.099 0.000 2.394 114 I HA -0.173 4.038 4.170 0.069 0.000 0.251 114 I C 2.092 178.331 176.117 0.203 0.000 1.136 114 I CA 1.275 62.654 61.300 0.132 0.000 1.425 114 I CB -1.387 36.648 38.000 0.059 0.000 1.079 114 I HN 0.220 nan 8.210 nan 0.000 0.425 115 T N -0.291 114.372 114.554 0.182 0.000 2.708 115 T HA -0.210 4.182 4.350 0.069 0.000 0.266 115 T C 1.968 176.819 174.700 0.251 0.000 1.037 115 T CA 1.366 63.597 62.100 0.218 0.000 1.146 115 T CB -0.404 68.591 68.868 0.212 0.000 0.865 115 T HN 0.338 nan 8.240 nan 0.000 0.435 116 H N -0.005 119.168 119.070 0.172 0.000 2.352 116 H HA -0.091 4.504 4.556 0.064 0.000 0.299 116 H C 2.200 177.596 175.328 0.113 0.000 1.097 116 H CA 1.679 57.812 56.048 0.142 0.000 1.311 116 H CB -0.476 29.346 29.762 0.101 0.000 1.377 116 H HN 0.393 nan 8.280 nan 0.000 0.504 117 F N 2.086 122.102 119.950 0.110 0.000 2.126 117 F HA -0.203 4.275 4.527 -0.083 0.000 0.299 117 F C 1.984 177.733 175.800 -0.085 0.000 1.096 117 F CA 1.776 59.789 58.000 0.022 0.000 1.255 117 F CB -0.348 38.659 39.000 0.012 0.000 0.997 117 F HN 0.070 nan 8.300 nan 0.000 0.479 118 D N -1.138 119.191 120.400 -0.118 0.000 2.309 118 D HA -0.149 4.532 4.640 0.069 0.000 0.212 118 D C 1.169 177.064 176.300 -0.676 0.000 0.968 118 D CA 1.218 54.973 54.000 -0.410 0.000 0.882 118 D CB -0.373 40.193 40.800 -0.390 0.000 0.918 118 D HN 0.497 nan 8.370 nan 0.000 0.503 119 H N -0.408 118.535 119.070 -0.211 0.000 2.475 119 H HA 0.223 4.872 4.556 0.155 0.000 0.276 119 H C 0.937 176.098 175.328 -0.278 0.000 1.126 119 H CA -0.110 55.810 56.048 -0.214 0.000 1.023 119 H CB 0.484 30.138 29.762 -0.181 0.000 1.669 119 H HN 0.262 nan 8.280 nan 0.000 0.573 120 E N 0.624 120.657 120.200 -0.279 0.000 2.204 120 E HA -0.042 4.350 4.350 0.069 0.000 0.194 120 E C 0.477 176.923 176.600 -0.257 0.000 0.989 120 E CA 0.566 56.776 56.400 -0.316 0.000 0.824 120 E CB 0.471 29.958 29.700 -0.355 0.000 0.756 120 E HN 0.141 nan 8.360 nan 0.000 0.477 121 R N 1.131 121.537 120.500 -0.156 0.000 2.404 121 R HA 0.386 4.768 4.340 0.069 0.000 0.291 121 R C 0.356 176.690 176.300 0.056 0.000 1.025 121 R CA -0.354 55.724 56.100 -0.035 0.000 0.991 121 R CB 0.890 31.159 30.300 -0.052 0.000 1.053 121 R HN 0.139 nan 8.270 nan 0.000 0.479 122 I N -0.918 119.752 120.570 0.167 0.000 2.910 122 I HA 0.603 4.814 4.170 0.069 0.000 0.310 122 I C -2.164 174.011 176.117 0.097 0.000 1.043 122 I CA -2.924 58.459 61.300 0.139 0.000 1.053 122 I CB 1.644 39.756 38.000 0.186 0.000 1.242 122 I HN 0.238 nan 8.210 nan 0.000 0.452 123 P HA 0.077 nan 4.420 nan 0.000 0.265 123 P C -0.887 176.441 177.300 0.047 0.000 1.193 123 P CA -0.020 63.104 63.100 0.041 0.000 0.765 123 P CB 0.396 32.109 31.700 0.023 0.000 0.823 124 E N 2.607 122.837 120.200 0.050 0.000 2.371 124 E HA 0.223 4.615 4.350 0.069 0.000 0.257 124 E C -0.441 176.184 176.600 0.042 0.000 1.134 124 E CA -0.881 55.553 56.400 0.058 0.000 0.919 124 E CB 0.651 30.391 29.700 0.066 0.000 1.025 124 E HN 0.251 nan 8.360 nan 0.000 0.438 125 R N 0.665 121.196 120.500 0.052 0.000 2.679 125 R HA 0.010 4.392 4.340 0.069 0.000 0.268 125 R C 1.229 177.563 176.300 0.056 0.000 1.044 125 R CA -0.429 55.699 56.100 0.047 0.000 1.105 125 R CB 0.292 30.641 30.300 0.081 0.000 0.989 125 R HN 0.578 nan 8.270 nan 0.000 0.447 126 I N 1.768 122.366 120.570 0.046 0.000 2.286 126 I HA -0.120 4.092 4.170 0.069 0.000 0.248 126 I C 1.169 177.336 176.117 0.083 0.000 1.115 126 I CA 1.453 62.788 61.300 0.057 0.000 1.392 126 I CB -0.924 37.112 38.000 0.061 0.000 1.065 126 I HN 0.388 nan 8.210 nan 0.000 0.418 127 V N -3.334 116.664 119.914 0.141 0.000 3.102 127 V HA 0.514 4.675 4.120 0.069 0.000 0.312 127 V C 0.443 176.703 176.094 0.276 0.000 1.135 127 V CA -0.849 61.561 62.300 0.183 0.000 1.022 127 V CB 1.769 33.779 31.823 0.311 0.000 1.056 127 V HN 0.418 nan 8.190 nan 0.000 0.436 128 H N 0.021 119.155 119.070 0.107 0.000 2.899 128 H HA -0.229 4.368 4.556 0.069 0.000 0.282 128 H C 1.582 176.958 175.328 0.080 0.000 1.198 128 H CA 0.770 56.875 56.048 0.095 0.000 1.140 128 H CB -1.255 28.555 29.762 0.079 0.000 1.317 128 H HN 1.154 nan 8.280 nan 0.000 0.375 129 A N 0.823 123.732 122.820 0.147 0.000 1.978 129 A HA -0.130 4.232 4.320 0.069 0.000 0.220 129 A C 1.705 179.378 177.584 0.148 0.000 1.170 129 A CA 1.459 53.572 52.037 0.127 0.000 0.636 129 A CB -0.117 18.935 19.000 0.088 0.000 0.810 129 A HN 0.279 nan 8.150 nan 0.000 0.448 130 R N 0.086 120.674 120.500 0.146 0.000 2.202 130 R HA 0.516 4.897 4.340 0.069 0.000 0.334 130 R C -0.110 176.315 176.300 0.208 0.000 1.036 130 R CA 0.717 56.923 56.100 0.176 0.000 0.878 130 R CB 0.327 30.715 30.300 0.146 0.000 1.067 130 R HN 0.335 nan 8.270 nan 0.000 0.457 131 G N 0.774 109.723 108.800 0.248 0.000 2.677 131 G HA2 0.525 4.527 3.960 0.069 0.000 0.291 131 G HA3 0.525 4.527 3.960 0.069 0.000 0.291 131 G C -1.611 173.444 174.900 0.260 0.000 1.435 131 G CA -0.603 44.614 45.100 0.194 0.000 0.826 131 G HN 0.497 nan 8.290 nan 0.000 0.491 132 S N -1.107 114.687 115.700 0.156 0.000 2.547 132 S HA 0.882 5.394 4.470 0.069 0.000 0.281 132 S C -0.225 174.378 174.600 0.006 0.000 1.118 132 S CA -0.131 58.217 58.200 0.245 0.000 0.947 132 S CB 1.734 65.188 63.200 0.422 0.000 1.053 132 S HN 1.588 nan 8.310 nan 0.000 0.482 133 A N 1.541 124.326 122.820 -0.059 0.000 2.515 133 A HA 1.026 5.388 4.320 0.069 0.000 0.296 133 A C -0.963 176.409 177.584 -0.354 0.000 1.094 133 A CA -0.715 51.070 52.037 -0.419 0.000 0.718 133 A CB 1.624 20.204 19.000 -0.700 0.000 1.307 133 A HN 1.323 nan 8.150 nan 0.000 0.408 134 A N 0.562 123.015 122.820 -0.612 0.000 2.606 134 A HA 0.736 5.098 4.320 0.069 0.000 0.293 134 A C -1.023 176.349 177.584 -0.353 0.000 1.082 134 A CA -0.648 51.196 52.037 -0.322 0.000 0.685 134 A CB 0.777 19.691 19.000 -0.143 0.000 1.284 134 A HN 0.880 nan 8.150 nan 0.000 0.408 135 H N -0.336 118.768 119.070 0.055 0.000 2.505 135 H HA 0.672 5.269 4.556 0.069 0.000 0.355 135 H C 0.636 175.973 175.328 0.015 0.000 1.179 135 H CA 0.924 57.067 56.048 0.158 0.000 1.343 135 H CB 1.801 31.645 29.762 0.138 0.000 1.501 135 H HN 1.127 nan 8.280 nan 0.000 0.569 136 G N 0.457 109.370 108.800 0.188 0.000 2.500 136 G HA2 0.358 4.360 3.960 0.069 0.000 0.299 136 G HA3 0.358 4.360 3.960 0.069 0.000 0.299 136 G C -2.048 172.996 174.900 0.241 0.000 1.242 136 G CA -0.647 44.525 45.100 0.120 0.000 0.859 136 G HN 0.632 nan 8.290 nan 0.000 0.481 137 Y N -1.722 118.614 120.300 0.061 0.000 2.597 137 Y HA 0.838 5.429 4.550 0.069 0.000 0.340 137 Y C -1.835 174.199 175.900 0.223 0.000 1.097 137 Y CA -1.937 56.243 58.100 0.133 0.000 1.037 137 Y CB 1.969 40.478 38.460 0.082 0.000 1.305 137 Y HN 0.792 nan 8.280 nan 0.000 0.463 138 F N 2.285 122.356 119.950 0.202 0.000 2.551 138 F HA 0.694 5.262 4.527 0.069 0.000 0.316 138 F C -1.216 174.764 175.800 0.299 0.000 1.089 138 F CA -0.566 57.562 58.000 0.212 0.000 0.915 138 F CB 2.367 41.635 39.000 0.447 0.000 1.186 138 F HN 0.802 nan 8.300 nan 0.000 0.456 139 Q N 6.728 125.996 119.800 -0.888 0.000 2.345 139 Q HA 0.518 4.899 4.340 0.069 0.000 0.275 139 Q C -2.918 172.445 176.000 -1.062 0.000 1.063 139 Q CA -2.374 53.056 55.803 -0.622 0.000 0.819 139 Q CB 3.246 31.879 28.738 -0.176 0.000 1.356 139 Q HN 0.351 nan 8.270 nan 0.000 0.418 140 P HA 0.105 nan 4.420 nan 0.000 0.282 140 P C -0.504 176.639 177.300 -0.262 0.000 1.259 140 P CA -0.042 62.789 63.100 -0.449 0.000 0.826 140 P CB 0.709 32.333 31.700 -0.126 0.000 1.064 141 Y N 0.450 120.685 120.300 -0.110 0.000 2.286 141 Y HA -0.053 4.539 4.550 0.070 0.000 0.293 141 Y C 1.528 177.398 175.900 -0.050 0.000 1.124 141 Y CA 0.625 58.684 58.100 -0.069 0.000 1.178 141 Y CB 0.205 38.632 38.460 -0.055 0.000 1.010 141 Y HN 0.352 nan 8.280 nan 0.000 0.536 142 K N -0.994 119.467 120.400 0.103 0.000 2.522 142 K HA 0.414 4.775 4.320 0.069 0.000 0.275 142 K C -0.925 175.677 176.600 0.003 0.000 1.006 142 K CA -0.953 55.362 56.287 0.047 0.000 0.890 142 K CB 1.624 34.152 32.500 0.047 0.000 1.475 142 K HN -0.233 nan 8.250 nan 0.000 0.441 143 S N 0.679 116.377 115.700 -0.002 0.000 2.549 143 S HA 0.169 4.680 4.470 0.069 0.000 0.283 143 S C 0.389 174.973 174.600 -0.026 0.000 1.320 143 S CA -0.617 57.571 58.200 -0.020 0.000 1.058 143 S CB -0.132 63.062 63.200 -0.010 0.000 0.882 143 S HN 0.550 nan 8.310 nan 0.000 0.498 144 L N 4.597 125.792 121.223 -0.047 0.000 2.928 144 L HA 0.149 4.531 4.340 0.069 0.000 0.246 144 L C 2.015 178.864 176.870 -0.036 0.000 1.239 144 L CA -0.028 54.790 54.840 -0.036 0.000 1.035 144 L CB -0.133 41.902 42.059 -0.041 0.000 1.360 144 L HN 0.867 nan 8.230 nan 0.000 0.529 145 S N -1.593 114.086 115.700 -0.035 0.000 2.440 145 S HA -0.197 4.315 4.470 0.069 0.000 0.238 145 S C 1.237 175.820 174.600 -0.029 0.000 1.010 145 S CA 1.230 59.409 58.200 -0.034 0.000 0.972 145 S CB -0.174 63.010 63.200 -0.026 0.000 0.774 145 S HN 0.406 nan 8.310 nan 0.000 0.501 146 D N 1.893 122.281 120.400 -0.020 0.000 2.264 146 D HA 0.024 4.706 4.640 0.069 0.000 0.208 146 D C 1.740 178.025 176.300 -0.026 0.000 0.966 146 D CA 1.356 55.345 54.000 -0.019 0.000 0.864 146 D CB -0.184 40.610 40.800 -0.010 0.000 0.933 146 D HN 0.833 nan 8.370 nan 0.000 0.499 147 I N -4.475 116.080 120.570 -0.025 0.000 4.456 147 I HA 0.234 4.445 4.170 0.069 0.000 0.329 147 I C 0.355 176.435 176.117 -0.061 0.000 1.313 147 I CA -0.088 61.190 61.300 -0.036 0.000 1.205 147 I CB 1.240 39.240 38.000 -0.001 0.000 1.179 147 I HN -0.260 nan 8.210 nan 0.000 0.419 148 T N 1.841 116.361 114.554 -0.058 0.000 2.993 148 T HA 0.304 4.695 4.350 0.069 0.000 0.312 148 T C -0.053 174.596 174.700 -0.085 0.000 1.115 148 T CA -0.688 61.359 62.100 -0.088 0.000 1.027 148 T CB 1.736 70.545 68.868 -0.098 0.000 1.116 148 T HN 0.421 nan 8.240 nan 0.000 0.464 149 K N 2.745 123.095 120.400 -0.085 0.000 2.476 149 K HA 0.540 4.902 4.320 0.069 0.000 0.196 149 K C 0.682 177.246 176.600 -0.059 0.000 1.025 149 K CA -0.343 55.905 56.287 -0.065 0.000 1.138 149 K CB 0.142 32.609 32.500 -0.055 0.000 0.860 149 K HN 0.485 nan 8.250 nan 0.000 0.515 150 A N 1.925 124.688 122.820 -0.095 0.000 2.522 150 A HA -0.038 4.324 4.320 0.069 0.000 0.256 150 A C 0.524 178.075 177.584 -0.056 0.000 1.086 150 A CA -0.028 51.966 52.037 -0.072 0.000 0.763 150 A CB 0.138 19.035 19.000 -0.172 0.000 1.024 150 A HN 0.468 nan 8.150 nan 0.000 0.502 151 D N 2.116 122.557 120.400 0.067 0.000 2.123 151 D HA -0.237 4.445 4.640 0.069 0.000 0.196 151 D C 1.409 177.783 176.300 0.123 0.000 0.992 151 D CA 2.354 56.408 54.000 0.089 0.000 0.833 151 D CB -0.240 40.636 40.800 0.127 0.000 0.954 151 D HN 0.743 nan 8.370 nan 0.000 0.455 152 F N -0.538 119.424 119.950 0.021 0.000 2.451 152 F HA 0.100 4.669 4.527 0.070 0.000 0.299 152 F C 1.107 176.984 175.800 0.130 0.000 1.101 152 F CA 0.498 58.549 58.000 0.085 0.000 1.436 152 F CB -0.282 38.762 39.000 0.073 0.000 1.074 152 F HN -0.072 nan 8.300 nan 0.000 0.553 153 L N 1.094 121.982 121.223 -0.558 0.000 2.872 153 L HA 0.213 4.595 4.340 0.069 0.000 0.245 153 L C 1.575 178.342 176.870 -0.171 0.000 1.211 153 L CA 0.251 54.839 54.840 -0.420 0.000 1.013 153 L CB -0.180 41.519 42.059 -0.599 0.000 1.326 153 L HN 0.335 nan 8.230 nan 0.000 0.525 154 S N -2.776 112.875 115.700 -0.081 0.000 2.535 154 S HA 0.100 4.611 4.470 0.069 0.000 0.214 154 S C 0.252 174.847 174.600 -0.009 0.000 0.980 154 S CA -0.279 57.897 58.200 -0.039 0.000 0.907 154 S CB 0.230 63.422 63.200 -0.013 0.000 0.790 154 S HN 0.342 nan 8.310 nan 0.000 0.510 155 D N 0.831 121.234 120.400 0.006 0.000 2.861 155 D HA 0.297 4.979 4.640 0.069 0.000 0.216 155 D C -2.574 173.740 176.300 0.024 0.000 1.323 155 D CA -1.657 52.355 54.000 0.020 0.000 0.917 155 D CB 2.092 42.913 40.800 0.035 0.000 1.582 155 D HN -0.147 nan 8.370 nan 0.000 0.576 156 P HA -0.046 nan 4.420 nan 0.000 0.228 156 P C 0.420 177.738 177.300 0.030 0.000 1.151 156 P CA 0.511 63.623 63.100 0.019 0.000 0.770 156 P CB 0.455 32.176 31.700 0.036 0.000 0.786 157 N N -0.263 118.459 118.700 0.037 0.000 2.398 157 N HA 0.001 4.782 4.740 0.069 0.000 0.188 157 N C 0.678 176.222 175.510 0.057 0.000 1.122 157 N CA 0.332 53.407 53.050 0.042 0.000 0.866 157 N CB 0.122 38.630 38.487 0.035 0.000 0.970 157 N HN 0.284 nan 8.380 nan 0.000 0.462 158 K N 1.609 122.053 120.400 0.073 0.000 2.285 158 K HA 0.206 4.568 4.320 0.069 0.000 0.286 158 K C -0.563 176.132 176.600 0.159 0.000 1.072 158 K CA -0.481 55.873 56.287 0.112 0.000 0.913 158 K CB 0.531 33.108 32.500 0.129 0.000 1.067 158 K HN -0.013 nan 8.250 nan 0.000 0.479 159 I N 1.913 122.581 120.570 0.165 0.000 2.377 159 I HA 0.308 4.519 4.170 0.069 0.000 0.293 159 I C -0.932 175.359 176.117 0.291 0.000 0.987 159 I CA 0.251 61.685 61.300 0.222 0.000 1.185 159 I CB 2.132 40.222 38.000 0.151 0.000 1.341 159 I HN 0.372 nan 8.210 nan 0.000 0.455 160 T N 8.434 123.248 114.554 0.433 0.000 2.786 160 T HA 0.514 4.905 4.350 0.069 0.000 0.283 160 T C -2.596 172.363 174.700 0.432 0.000 0.992 160 T CA -1.076 61.295 62.100 0.453 0.000 0.954 160 T CB 1.311 70.556 68.868 0.628 0.000 0.934 160 T HN 0.468 nan 8.240 nan 0.000 0.440 161 P HA 0.261 nan 4.420 nan 0.000 0.269 161 P C -0.663 176.876 177.300 0.399 0.000 1.215 161 P CA -0.429 62.867 63.100 0.326 0.000 0.780 161 P CB 0.487 32.304 31.700 0.195 0.000 0.898 162 V N -0.781 119.315 119.914 0.302 0.000 3.040 162 V HA 0.740 4.901 4.120 0.069 0.000 0.312 162 V C -1.289 174.976 176.094 0.284 0.000 1.115 162 V CA -0.933 61.455 62.300 0.145 0.000 0.998 162 V CB 2.210 33.902 31.823 -0.217 0.000 1.042 162 V HN 0.326 nan 8.190 nan 0.000 0.433 163 F N 2.088 122.028 119.950 -0.016 0.000 2.539 163 F HA 0.847 5.415 4.527 0.069 0.000 0.318 163 F C -0.841 174.860 175.800 -0.164 0.000 1.135 163 F CA -0.857 57.078 58.000 -0.108 0.000 0.915 163 F CB 2.011 40.979 39.000 -0.054 0.000 1.176 163 F HN 0.522 nan 8.300 nan 0.000 0.440 164 V N 6.595 126.046 119.914 -0.771 0.000 2.540 164 V HA 0.579 4.741 4.120 0.069 0.000 0.302 164 V C -0.683 174.742 176.094 -1.116 0.000 1.035 164 V CA -0.833 60.945 62.300 -0.871 0.000 0.873 164 V CB 1.994 33.232 31.823 -0.975 0.000 0.992 164 V HN 0.740 nan 8.190 nan 0.000 0.428 165 R N 3.489 123.336 120.500 -1.087 0.000 2.480 165 R HA 0.635 5.016 4.340 0.069 0.000 0.306 165 R C -1.617 174.069 176.300 -1.023 0.000 0.958 165 R CA -0.444 55.112 56.100 -0.906 0.000 0.861 165 R CB 1.267 31.203 30.300 -0.607 0.000 1.171 165 R HN 0.549 nan 8.270 nan 0.000 0.445 166 F N 1.829 121.351 119.950 -0.712 0.000 2.432 166 F HA 0.520 5.089 4.527 0.069 0.000 0.329 166 F C 0.487 175.937 175.800 -0.583 0.000 1.076 166 F CA -0.200 57.262 58.000 -0.897 0.000 1.018 166 F CB 2.131 40.079 39.000 -1.753 0.000 1.201 166 F HN 0.618 nan 8.300 nan 0.000 0.489 167 S N -1.006 114.638 115.700 -0.092 0.000 2.615 167 S HA 0.649 5.160 4.470 0.069 0.000 0.269 167 S C -0.655 174.097 174.600 0.255 0.000 1.161 167 S CA -0.925 57.358 58.200 0.139 0.000 0.817 167 S CB 1.394 64.718 63.200 0.207 0.000 1.131 167 S HN 0.726 nan 8.310 nan 0.000 0.467 168 T N -1.728 112.963 114.554 0.228 0.000 2.880 168 T HA 0.698 5.090 4.350 0.069 0.000 0.279 168 T C 0.761 175.416 174.700 -0.074 0.000 0.990 168 T CA -0.294 61.891 62.100 0.142 0.000 0.938 168 T CB 0.678 69.634 68.868 0.146 0.000 1.206 168 T HN 0.579 nan 8.240 nan 0.000 0.573 169 V N 0.077 119.897 119.914 -0.157 0.000 2.911 169 V HA 0.103 4.264 4.120 0.069 0.000 0.237 169 V C 2.728 178.731 176.094 -0.152 0.000 1.156 169 V CA 0.504 62.571 62.300 -0.390 0.000 1.180 169 V CB -0.228 31.482 31.823 -0.189 0.000 0.932 169 V HN 0.898 nan 8.190 nan 0.000 0.483 170 Q N 0.965 120.718 119.800 -0.080 0.000 2.165 170 Q HA 0.104 4.486 4.340 0.069 0.000 0.197 170 Q C 1.295 177.264 176.000 -0.051 0.000 0.952 170 Q CA 1.193 56.948 55.803 -0.080 0.000 0.848 170 Q CB -0.023 28.651 28.738 -0.107 0.000 0.931 170 Q HN 0.575 nan 8.270 nan 0.000 0.470 171 G N -0.023 108.762 108.800 -0.026 0.000 2.606 171 G HA2 0.393 4.394 3.960 0.069 0.000 0.252 171 G HA3 0.393 4.394 3.960 0.069 0.000 0.252 171 G C 0.151 175.054 174.900 0.005 0.000 1.206 171 G CA 0.072 45.163 45.100 -0.015 0.000 0.861 171 G HN 0.326 nan 8.290 nan 0.000 0.561 172 G N -1.175 107.625 108.800 -0.001 0.000 2.621 172 G HA2 0.479 4.480 3.960 0.069 0.000 0.271 172 G HA3 0.479 4.480 3.960 0.069 0.000 0.271 172 G C 1.345 176.272 174.900 0.044 0.000 1.236 172 G CA 0.433 45.544 45.100 0.018 0.000 0.958 172 G HN 1.074 nan 8.290 nan 0.000 0.512 173 A N -0.913 121.944 122.820 0.062 0.000 2.076 173 A HA 0.118 4.480 4.320 0.069 0.000 0.220 173 A C 2.164 179.785 177.584 0.061 0.000 1.160 173 A CA 2.027 54.119 52.037 0.092 0.000 0.653 173 A CB -0.365 18.706 19.000 0.117 0.000 0.801 173 A HN 1.141 nan 8.150 nan 0.000 0.455 174 G N -0.365 108.451 108.800 0.027 0.000 3.337 174 G HA2 0.348 4.350 3.960 0.069 0.000 0.246 174 G HA3 0.348 4.350 3.960 0.069 0.000 0.246 174 G C 0.654 175.553 174.900 -0.002 0.000 1.131 174 G CA 0.673 45.774 45.100 0.002 0.000 0.773 174 G HN 0.655 nan 8.290 nan 0.000 0.544 175 S N -0.136 115.571 115.700 0.011 0.000 2.661 175 S HA 0.746 5.257 4.470 0.069 0.000 0.265 175 S C 0.491 175.101 174.600 0.016 0.000 1.225 175 S CA -0.038 58.164 58.200 0.005 0.000 0.986 175 S CB 1.577 64.780 63.200 0.005 0.000 1.008 175 S HN 0.571 nan 8.310 nan 0.000 0.565 176 A N 0.122 122.946 122.820 0.007 0.000 2.286 176 A HA 0.445 4.806 4.320 0.069 0.000 0.286 176 A C 0.607 178.205 177.584 0.024 0.000 1.097 176 A CA -0.587 51.451 52.037 0.001 0.000 0.821 176 A CB -0.046 18.935 19.000 -0.030 0.000 1.076 176 A HN 0.865 nan 8.150 nan 0.000 0.490 177 D N 0.332 120.735 120.400 0.005 0.000 2.137 177 D HA -0.057 4.624 4.640 0.069 0.000 0.202 177 D C 1.512 177.760 176.300 -0.087 0.000 0.970 177 D CA 2.227 56.235 54.000 0.012 0.000 0.837 177 D CB -0.151 40.616 40.800 -0.054 0.000 0.981 177 D HN 0.668 nan 8.370 nan 0.000 0.475 178 T N -0.248 114.190 114.554 -0.194 0.000 3.268 178 T HA 0.319 4.710 4.350 0.069 0.000 0.244 178 T C 0.768 175.440 174.700 -0.047 0.000 0.915 178 T CA -0.618 61.359 62.100 -0.204 0.000 0.935 178 T CB -0.821 67.851 68.868 -0.327 0.000 1.110 178 T HN -0.084 nan 8.240 nan 0.000 0.573 179 V N -1.123 118.816 119.914 0.042 0.000 3.237 179 V HA 0.428 4.589 4.120 0.069 0.000 0.305 179 V C 0.729 176.961 176.094 0.230 0.000 1.096 179 V CA -1.375 61.005 62.300 0.135 0.000 1.130 179 V CB 0.343 32.233 31.823 0.112 0.000 1.048 179 V HN 0.595 nan 8.190 nan 0.000 0.484 180 R N 1.741 122.444 120.500 0.338 0.000 2.248 180 R HA 0.438 4.819 4.340 0.069 0.000 0.328 180 R C -0.861 175.514 176.300 0.125 0.000 1.067 180 R CA 0.007 56.245 56.100 0.229 0.000 0.924 180 R CB 0.064 30.413 30.300 0.082 0.000 1.013 180 R HN 1.060 nan 8.270 nan 0.000 0.454 181 D N 3.264 123.750 120.400 0.143 0.000 2.710 181 D HA 0.176 4.858 4.640 0.069 0.000 0.276 181 D C -0.765 175.646 176.300 0.184 0.000 1.267 181 D CA -0.608 53.467 54.000 0.125 0.000 0.772 181 D CB 1.176 42.040 40.800 0.107 0.000 1.299 181 D HN 0.217 nan 8.370 nan 0.000 0.421 182 I N 1.488 122.187 120.570 0.214 0.000 2.696 182 I HA 0.239 4.450 4.170 0.069 0.000 0.284 182 I C 0.823 177.086 176.117 0.244 0.000 1.129 182 I CA -0.070 61.373 61.300 0.239 0.000 1.410 182 I CB 0.089 38.270 38.000 0.302 0.000 1.399 182 I HN 0.222 nan 8.210 nan 0.000 0.579 183 R N 3.235 123.903 120.500 0.279 0.000 2.589 183 R HA 0.560 4.942 4.340 0.069 0.000 0.293 183 R C 0.008 176.514 176.300 0.343 0.000 0.963 183 R CA -0.752 55.533 56.100 0.307 0.000 0.905 183 R CB 1.424 31.926 30.300 0.337 0.000 1.144 183 R HN 0.798 nan 8.270 nan 0.000 0.459 184 G N 0.932 109.958 108.800 0.376 0.000 2.448 184 G HA2 0.458 4.460 3.960 0.069 0.000 0.285 184 G HA3 0.458 4.460 3.960 0.069 0.000 0.285 184 G C -1.249 173.742 174.900 0.151 0.000 1.176 184 G CA -0.065 45.213 45.100 0.295 0.000 0.852 184 G HN 0.358 nan 8.290 nan 0.000 0.530 185 F N 1.677 121.539 119.950 -0.147 0.000 2.902 185 F HA 0.632 5.200 4.527 0.069 0.000 0.368 185 F C -0.184 175.324 175.800 -0.485 0.000 1.202 185 F CA -1.751 56.051 58.000 -0.330 0.000 1.109 185 F CB 1.116 40.041 39.000 -0.124 0.000 1.418 185 F HN 0.660 nan 8.300 nan 0.000 0.527 186 A N 3.364 125.922 122.820 -0.437 0.000 2.318 186 A HA 0.784 5.146 4.320 0.069 0.000 0.317 186 A C -0.660 176.493 177.584 -0.719 0.000 1.159 186 A CA -0.462 51.164 52.037 -0.685 0.000 0.799 186 A CB 0.884 19.124 19.000 -1.267 0.000 1.194 186 A HN 0.519 nan 8.150 nan 0.000 0.479 187 T N 2.315 116.614 114.554 -0.425 0.000 2.809 187 T HA 0.384 4.776 4.350 0.069 0.000 0.284 187 T C -0.330 174.186 174.700 -0.307 0.000 0.992 187 T CA -0.454 61.394 62.100 -0.420 0.000 0.957 187 T CB 1.051 69.595 68.868 -0.540 0.000 0.942 187 T HN 0.633 nan 8.240 nan 0.000 0.439 188 K N 3.519 123.809 120.400 -0.182 0.000 2.253 188 K HA 0.439 4.800 4.320 0.069 0.000 0.277 188 K C -1.227 175.036 176.600 -0.561 0.000 1.053 188 K CA -0.581 55.485 56.287 -0.368 0.000 0.892 188 K CB 0.320 32.538 32.500 -0.470 0.000 1.102 188 K HN 0.390 nan 8.250 nan 0.000 0.469 189 F N 4.312 123.962 119.950 -0.500 0.000 2.391 189 F HA 0.230 4.799 4.527 0.070 0.000 0.359 189 F C -0.409 175.171 175.800 -0.367 0.000 1.122 189 F CA -0.553 57.222 58.000 -0.375 0.000 1.120 189 F CB 0.653 39.344 39.000 -0.515 0.000 1.142 189 F HN 0.435 nan 8.300 nan 0.000 0.483 190 Y N 1.891 122.245 120.300 0.091 0.000 2.691 190 Y HA 0.249 4.840 4.550 0.068 0.000 0.338 190 Y C 0.946 176.898 175.900 0.087 0.000 1.148 190 Y CA -0.834 57.298 58.100 0.054 0.000 1.430 190 Y CB 0.071 38.553 38.460 0.037 0.000 1.303 190 Y HN 0.562 nan 8.280 nan 0.000 0.499 191 T N -2.167 112.477 114.554 0.149 0.000 2.881 191 T HA 0.212 4.604 4.350 0.069 0.000 0.278 191 T C 0.951 175.741 174.700 0.151 0.000 0.982 191 T CA -0.729 61.464 62.100 0.155 0.000 0.989 191 T CB 1.131 70.055 68.868 0.093 0.000 1.058 191 T HN 0.642 nan 8.240 nan 0.000 0.529 192 E N -0.072 120.223 120.200 0.158 0.000 2.418 192 E HA -0.026 4.366 4.350 0.069 0.000 0.197 192 E C 0.962 177.630 176.600 0.112 0.000 1.026 192 E CA 0.649 57.127 56.400 0.130 0.000 0.862 192 E CB 0.131 29.904 29.700 0.122 0.000 0.799 192 E HN 0.722 nan 8.360 nan 0.000 0.518 193 E N 0.077 120.344 120.200 0.111 0.000 2.693 193 E HA 0.261 4.653 4.350 0.069 0.000 0.214 193 E C 0.121 176.766 176.600 0.075 0.000 0.990 193 E CA -0.232 56.225 56.400 0.096 0.000 1.047 193 E CB 1.411 31.171 29.700 0.100 0.000 1.039 193 E HN 0.172 nan 8.360 nan 0.000 0.475 194 G N 1.184 110.021 108.800 0.061 0.000 2.357 194 G HA2 -0.082 3.920 3.960 0.069 0.000 0.643 194 G HA3 -0.082 3.920 3.960 0.069 0.000 0.643 194 G C -1.023 173.871 174.900 -0.010 0.000 1.358 194 G CA -1.113 43.995 45.100 0.014 0.000 0.986 194 G HN 0.018 nan 8.290 nan 0.000 0.620 195 I N 0.859 121.382 120.570 -0.078 0.000 2.471 195 I HA 0.352 4.563 4.170 0.069 0.000 0.286 195 I C -0.020 176.081 176.117 -0.026 0.000 1.079 195 I CA -0.051 61.171 61.300 -0.130 0.000 1.398 195 I CB 0.764 38.612 38.000 -0.254 0.000 1.403 195 I HN 0.445 nan 8.210 nan 0.000 0.530 196 F N 6.987 126.806 119.950 -0.218 0.000 2.402 196 F HA 0.439 5.008 4.527 0.070 0.000 0.355 196 F C -0.473 175.272 175.800 -0.093 0.000 1.123 196 F CA -1.167 56.702 58.000 -0.218 0.000 1.021 196 F CB 0.688 39.385 39.000 -0.506 0.000 1.160 196 F HN 0.348 nan 8.300 nan 0.000 0.451 197 D N 7.062 127.223 120.400 -0.398 0.000 2.280 197 D HA 0.239 4.921 4.640 0.069 0.000 0.236 197 D C -0.620 175.184 176.300 -0.828 0.000 1.082 197 D CA -0.022 53.699 54.000 -0.464 0.000 0.834 197 D CB 2.334 43.072 40.800 -0.104 0.000 1.100 197 D HN 0.630 nan 8.370 nan 0.000 0.486 198 L N 3.089 123.806 121.223 -0.844 0.000 2.264 198 L HA 0.307 4.689 4.340 0.069 0.000 0.287 198 L C -1.073 175.582 176.870 -0.358 0.000 1.039 198 L CA -0.605 53.833 54.840 -0.670 0.000 0.829 198 L CB 0.692 42.370 42.059 -0.636 0.000 1.211 198 L HN 0.041 nan 8.230 nan 0.000 0.427 199 V N 5.589 125.332 119.914 -0.285 0.000 2.275 199 V HA 0.556 4.717 4.120 0.069 0.000 0.272 199 V C 0.703 176.705 176.094 -0.154 0.000 1.028 199 V CA -0.304 61.838 62.300 -0.263 0.000 0.810 199 V CB 0.735 32.362 31.823 -0.327 0.000 1.043 199 V HN 0.848 nan 8.190 nan 0.000 0.453 200 G N 3.360 112.088 108.800 -0.119 0.000 3.013 200 G HA2 0.671 4.673 3.960 0.069 0.000 0.278 200 G HA3 0.671 4.673 3.960 0.069 0.000 0.278 200 G C -0.957 173.979 174.900 0.059 0.000 1.353 200 G CA -0.602 44.484 45.100 -0.023 0.000 1.043 200 G HN 0.477 nan 8.290 nan 0.000 0.523 201 N N -0.968 117.815 118.700 0.137 0.000 2.966 201 N HA 0.272 5.053 4.740 0.069 0.000 0.314 201 N C 0.245 175.948 175.510 0.322 0.000 1.397 201 N CA -0.772 52.419 53.050 0.235 0.000 0.776 201 N CB 1.298 39.919 38.487 0.224 0.000 1.576 201 N HN 0.534 nan 8.380 nan 0.000 0.592 202 N N -1.320 117.587 118.700 0.345 0.000 2.276 202 N HA 0.019 4.801 4.740 0.069 0.000 0.212 202 N C -0.562 175.214 175.510 0.444 0.000 1.127 202 N CA -0.183 53.125 53.050 0.431 0.000 0.834 202 N CB -0.210 38.505 38.487 0.380 0.000 1.014 202 N HN 0.540 nan 8.380 nan 0.000 0.491 203 T N -3.794 110.852 114.554 0.153 0.000 2.901 203 T HA 0.492 4.884 4.350 0.069 0.000 0.293 203 T C -2.689 171.405 174.700 -1.011 0.000 1.084 203 T CA -1.547 60.213 62.100 -0.567 0.000 1.008 203 T CB 2.926 71.351 68.868 -0.739 0.000 1.170 203 T HN -0.229 nan 8.240 nan 0.000 0.509 204 P HA 0.256 nan 4.420 nan 0.000 0.261 204 P C 0.224 177.007 177.300 -0.861 0.000 1.268 204 P CA -0.029 62.173 63.100 -1.496 0.000 0.833 204 P CB -0.049 30.712 31.700 -1.565 0.000 1.231 205 I N -4.469 115.575 120.570 -0.877 0.000 3.279 205 I HA 0.550 4.762 4.170 0.069 0.000 0.315 205 I C -1.438 174.400 176.117 -0.464 0.000 1.187 205 I CA -1.861 59.070 61.300 -0.615 0.000 0.953 205 I CB 1.509 39.090 38.000 -0.699 0.000 1.279 205 I HN -0.239 nan 8.210 nan 0.000 0.465 206 F N 0.386 120.045 119.950 -0.484 0.000 2.631 206 F HA 0.525 5.094 4.527 0.069 0.000 0.350 206 F C 0.282 175.833 175.800 -0.416 0.000 1.080 206 F CA -0.725 57.024 58.000 -0.418 0.000 1.026 206 F CB 1.951 40.837 39.000 -0.191 0.000 1.347 206 F HN 0.375 nan 8.300 nan 0.000 0.501 207 F N 1.818 121.007 119.950 -1.269 0.000 2.367 207 F HA 0.119 4.687 4.527 0.069 0.000 0.298 207 F C 0.535 176.057 175.800 -0.464 0.000 1.094 207 F CA 0.621 58.085 58.000 -0.894 0.000 1.409 207 F CB 0.042 38.083 39.000 -1.600 0.000 1.064 207 F HN 0.128 nan 8.300 nan 0.000 0.528 208 I N -3.658 116.910 120.570 -0.004 0.000 3.145 208 I HA 0.384 4.596 4.170 0.069 0.000 0.313 208 I C 0.341 176.604 176.117 0.243 0.000 1.122 208 I CA -0.861 60.531 61.300 0.153 0.000 0.987 208 I CB 1.790 39.927 38.000 0.228 0.000 1.236 208 I HN -0.202 nan 8.210 nan 0.000 0.453 209 Q N 0.081 120.027 119.800 0.242 0.000 2.324 209 Q HA 0.157 4.538 4.340 0.069 0.000 0.207 209 Q C -0.317 175.856 176.000 0.287 0.000 0.928 209 Q CA 0.619 56.606 55.803 0.307 0.000 0.890 209 Q CB 0.535 29.527 28.738 0.424 0.000 1.001 209 Q HN 0.639 nan 8.270 nan 0.000 0.517 210 D N -1.090 119.450 120.400 0.233 0.000 2.505 210 D HA 0.307 4.988 4.640 0.069 0.000 0.249 210 D C -0.087 176.331 176.300 0.197 0.000 1.082 210 D CA -0.236 53.870 54.000 0.176 0.000 0.839 210 D CB 1.870 42.751 40.800 0.135 0.000 1.317 210 D HN 0.057 nan 8.370 nan 0.000 0.497 211 A N 3.309 126.214 122.820 0.141 0.000 2.076 211 A HA -0.226 4.135 4.320 0.069 0.000 0.220 211 A C 1.736 179.429 177.584 0.181 0.000 1.160 211 A CA 1.502 53.617 52.037 0.130 0.000 0.653 211 A CB -0.701 18.321 19.000 0.037 0.000 0.801 211 A HN 0.792 nan 8.150 nan 0.000 0.455 212 H N 0.196 119.321 119.070 0.092 0.000 2.456 212 H HA -0.005 4.593 4.556 0.070 0.000 0.296 212 H C 1.534 176.939 175.328 0.128 0.000 1.079 212 H CA 1.764 57.861 56.048 0.081 0.000 1.322 212 H CB 0.110 29.898 29.762 0.044 0.000 1.388 212 H HN 0.358 nan 8.280 nan 0.000 0.538 213 K N -0.500 120.027 120.400 0.211 0.000 2.444 213 K HA -0.053 4.309 4.320 0.069 0.000 0.193 213 K C 1.439 178.185 176.600 0.244 0.000 1.024 213 K CA 0.042 56.459 56.287 0.216 0.000 1.077 213 K CB -0.006 32.676 32.500 0.303 0.000 0.833 213 K HN 0.325 nan 8.250 nan 0.000 0.517 214 F N 2.856 122.856 119.950 0.083 0.000 2.134 214 F HA -0.115 4.453 4.527 0.069 0.000 0.299 214 F C -0.982 174.832 175.800 0.023 0.000 1.097 214 F CA 1.133 59.207 58.000 0.123 0.000 1.264 214 F CB -0.386 38.676 39.000 0.103 0.000 1.001 214 F HN 0.020 nan 8.300 nan 0.000 0.479 215 P HA -0.130 nan 4.420 nan 0.000 0.218 215 P C 0.979 177.970 177.300 -0.515 0.000 1.149 215 P CA 1.629 64.507 63.100 -0.370 0.000 0.817 215 P CB -0.028 31.469 31.700 -0.339 0.000 0.785 216 D N -1.377 118.868 120.400 -0.258 0.000 2.097 216 D HA -0.139 4.542 4.640 0.069 0.000 0.197 216 D C 1.790 177.835 176.300 -0.425 0.000 0.984 216 D CA 1.018 54.902 54.000 -0.193 0.000 0.826 216 D CB -0.803 40.047 40.800 0.082 0.000 0.973 216 D HN 0.156 nan 8.370 nan 0.000 0.460 217 F N 1.723 121.288 119.950 -0.641 0.000 2.102 217 F HA -0.219 4.350 4.527 0.069 0.000 0.298 217 F C 2.244 177.673 175.800 -0.618 0.000 1.105 217 F CA 1.105 58.532 58.000 -0.955 0.000 1.239 217 F CB -0.091 38.580 39.000 -0.549 0.000 0.991 217 F HN -0.249 nan 8.300 nan 0.000 0.474 218 V N 0.083 119.631 119.914 -0.611 0.000 2.427 218 V HA -0.314 3.848 4.120 0.069 0.000 0.248 218 V C 2.226 178.117 176.094 -0.339 0.000 1.051 218 V CA 2.337 64.290 62.300 -0.579 0.000 1.048 218 V CB -1.012 30.470 31.823 -0.569 0.000 0.666 218 V HN 0.464 nan 8.190 nan 0.000 0.456 219 H N -0.175 118.684 119.070 -0.352 0.000 2.353 219 H HA -0.134 4.464 4.556 0.069 0.000 0.300 219 H C 2.335 177.525 175.328 -0.230 0.000 1.090 219 H CA 1.078 56.992 56.048 -0.222 0.000 1.327 219 H CB 0.042 29.720 29.762 -0.140 0.000 1.383 219 H HN 0.483 nan 8.280 nan 0.000 0.508 220 A N 0.407 123.080 122.820 -0.245 0.000 1.972 220 A HA -0.113 4.248 4.320 0.069 0.000 0.219 220 A C 2.494 179.954 177.584 -0.208 0.000 1.169 220 A CA 1.349 53.242 52.037 -0.240 0.000 0.635 220 A CB -0.653 18.090 19.000 -0.430 0.000 0.810 220 A HN 0.305 nan 8.150 nan 0.000 0.446 221 V N -0.219 119.449 119.914 -0.411 0.000 2.649 221 V HA -0.006 4.155 4.120 0.069 0.000 0.248 221 V C 0.934 176.994 176.094 -0.058 0.000 1.054 221 V CA 0.778 62.886 62.300 -0.321 0.000 1.073 221 V CB -0.446 30.967 31.823 -0.683 0.000 0.699 221 V HN 0.350 nan 8.190 nan 0.000 0.463 222 K N 0.994 121.327 120.400 -0.112 0.000 2.234 222 K HA 0.173 4.535 4.320 0.069 0.000 0.251 222 K C -2.269 174.281 176.600 -0.083 0.000 1.011 222 K CA -1.416 54.816 56.287 -0.092 0.000 0.889 222 K CB -0.373 32.070 32.500 -0.095 0.000 1.011 222 K HN 0.183 nan 8.250 nan 0.000 0.505 223 P HA -0.018 nan 4.420 nan 0.000 0.265 223 P C -0.501 176.735 177.300 -0.107 0.000 1.193 223 P CA 0.417 63.382 63.100 -0.226 0.000 0.765 223 P CB 0.395 31.973 31.700 -0.204 0.000 0.823 224 E N 5.439 125.620 120.200 -0.031 0.000 2.398 224 E HA 0.002 4.393 4.350 0.069 0.000 0.263 224 E C -1.321 175.337 176.600 0.097 0.000 1.046 224 E CA -1.305 55.173 56.400 0.130 0.000 0.908 224 E CB 0.157 30.046 29.700 0.315 0.000 0.963 224 E HN 0.424 nan 8.360 nan 0.000 0.431 225 P HA -0.161 nan 4.420 nan 0.000 0.227 225 P C 0.946 178.309 177.300 0.106 0.000 1.161 225 P CA 1.184 64.316 63.100 0.053 0.000 0.788 225 P CB 0.085 31.795 31.700 0.017 0.000 0.822 226 H N -0.451 118.660 119.070 0.069 0.000 2.299 226 H HA -0.081 4.517 4.556 0.070 0.000 0.302 226 H C 1.494 176.931 175.328 0.182 0.000 1.078 226 H CA 1.465 57.544 56.048 0.052 0.000 1.323 226 H CB -1.389 28.330 29.762 -0.072 0.000 1.381 226 H HN 0.290 nan 8.280 nan 0.000 0.498 227 W N 0.071 121.031 121.300 -0.567 0.000 2.870 227 W HA 0.693 5.394 4.660 0.069 0.000 0.358 227 W C 0.499 176.858 176.519 -0.266 0.000 1.043 227 W CA -0.988 56.143 57.345 -0.357 0.000 1.692 227 W CB -0.733 28.495 29.460 -0.386 0.000 1.100 227 W HN 0.458 nan 8.180 nan 0.000 0.557 228 A N 1.284 124.078 122.820 -0.043 0.000 2.667 228 A HA -0.153 4.208 4.320 0.069 0.000 0.298 228 A C -0.379 176.974 177.584 -0.385 0.000 1.483 228 A CA 1.423 53.358 52.037 -0.170 0.000 0.738 228 A CB -2.424 16.502 19.000 -0.124 0.000 1.067 228 A HN 0.457 nan 8.150 nan 0.000 0.451 229 I N 0.418 120.610 120.570 -0.630 0.000 2.730 229 I HA 0.567 4.779 4.170 0.069 0.000 0.298 229 I C -2.406 173.399 176.117 -0.521 0.000 1.089 229 I CA -2.478 58.353 61.300 -0.782 0.000 1.041 229 I CB 2.874 39.919 38.000 -1.591 0.000 1.235 229 I HN 0.208 nan 8.210 nan 0.000 0.423 230 P HA 0.310 nan 4.420 nan 0.000 0.289 230 P C -1.613 175.520 177.300 -0.277 0.000 1.293 230 P CA -0.824 62.059 63.100 -0.362 0.000 0.897 230 P CB 1.639 33.201 31.700 -0.231 0.000 1.166 231 Q N 0.575 120.257 119.800 -0.197 0.000 2.256 231 Q HA 0.505 4.887 4.340 0.069 0.000 0.254 231 Q C 0.996 176.950 176.000 -0.077 0.000 0.916 231 Q CA 0.809 56.532 55.803 -0.134 0.000 0.932 231 Q CB -0.120 28.550 28.738 -0.114 0.000 1.207 231 Q HN 0.819 nan 8.270 nan 0.000 0.426 232 G N 3.177 111.940 108.800 -0.061 0.000 2.160 232 G HA2 -0.277 3.725 3.960 0.069 0.000 0.251 232 G HA3 -0.277 3.725 3.960 0.069 0.000 0.251 232 G C -0.437 174.468 174.900 0.008 0.000 1.008 232 G CA 0.487 45.577 45.100 -0.017 0.000 0.724 232 G HN 0.542 nan 8.290 nan 0.000 0.514 233 Q N -0.965 118.826 119.800 -0.016 0.000 2.315 233 Q HA 0.574 4.955 4.340 0.069 0.000 0.273 233 Q C 0.702 176.707 176.000 0.008 0.000 1.053 233 Q CA -0.157 55.667 55.803 0.036 0.000 0.817 233 Q CB 1.849 30.654 28.738 0.112 0.000 1.326 233 Q HN 0.452 nan 8.270 nan 0.000 0.423 234 S N -0.555 115.064 115.700 -0.134 0.000 2.556 234 S HA 0.221 4.733 4.470 0.069 0.000 0.216 234 S C 0.877 175.441 174.600 -0.060 0.000 0.970 234 S CA -0.036 57.875 58.200 -0.480 0.000 0.912 234 S CB 0.367 62.741 63.200 -1.376 0.000 0.790 234 S HN 0.598 nan 8.310 nan 0.000 0.504 235 A N 2.365 125.339 122.820 0.255 0.000 3.063 235 A HA 0.527 4.889 4.320 0.069 0.000 0.263 235 A C 0.092 177.929 177.584 0.422 0.000 1.736 235 A CA -0.570 51.702 52.037 0.392 0.000 1.408 235 A CB -1.235 17.935 19.000 0.283 0.000 1.108 235 A HN 0.889 nan 8.150 nan 0.000 0.621 236 H N -3.599 115.673 119.070 0.338 0.000 3.014 236 H HA 0.500 5.098 4.556 0.070 0.000 0.337 236 H C -0.333 175.196 175.328 0.335 0.000 1.320 236 H CA -0.771 55.439 56.048 0.271 0.000 1.128 236 H CB 0.317 30.194 29.762 0.190 0.000 1.862 236 H HN 0.061 nan 8.280 nan 0.000 0.536 237 D N 0.252 120.826 120.400 0.290 0.000 2.123 237 D HA -0.190 4.492 4.640 0.069 0.000 0.196 237 D C 2.056 178.420 176.300 0.107 0.000 0.992 237 D CA 2.920 57.026 54.000 0.176 0.000 0.833 237 D CB -0.318 40.558 40.800 0.127 0.000 0.954 237 D HN 0.781 nan 8.370 nan 0.000 0.455 238 T N -1.616 113.004 114.554 0.109 0.000 2.821 238 T HA -0.170 4.221 4.350 0.069 0.000 0.267 238 T C 1.893 176.538 174.700 -0.092 0.000 1.046 238 T CA 0.534 62.664 62.100 0.050 0.000 1.139 238 T CB -0.683 68.262 68.868 0.129 0.000 0.871 238 T HN 0.133 nan 8.240 nan 0.000 0.454 239 F N 0.887 120.527 119.950 -0.517 0.000 2.102 239 F HA 0.077 4.646 4.527 0.070 0.000 0.298 239 F C 1.822 177.344 175.800 -0.463 0.000 1.105 239 F CA 0.606 58.221 58.000 -0.642 0.000 1.239 239 F CB -0.640 37.774 39.000 -0.976 0.000 0.991 239 F HN 0.149 nan 8.300 nan 0.000 0.474 240 W N 0.548 121.742 121.300 -0.176 0.000 2.467 240 W HA -0.080 4.622 4.660 0.070 0.000 0.275 240 W C 2.304 178.725 176.519 -0.162 0.000 1.239 240 W CA 0.960 58.193 57.345 -0.187 0.000 1.266 240 W CB -0.599 28.852 29.460 -0.016 0.000 1.112 240 W HN 0.062 nan 8.180 nan 0.000 0.576 241 D N -0.489 119.937 120.400 0.043 0.000 2.092 241 D HA -0.301 4.381 4.640 0.069 0.000 0.193 241 D C 1.874 178.166 176.300 -0.014 0.000 0.994 241 D CA 1.550 55.566 54.000 0.026 0.000 0.828 241 D CB -0.525 40.304 40.800 0.048 0.000 0.963 241 D HN 0.190 nan 8.370 nan 0.000 0.450 242 Y N 0.386 120.570 120.300 -0.193 0.000 2.145 242 Y HA -0.172 4.420 4.550 0.070 0.000 0.286 242 Y C 2.286 178.050 175.900 -0.226 0.000 1.145 242 Y CA 1.421 59.402 58.100 -0.198 0.000 1.148 242 Y CB -0.450 37.852 38.460 -0.263 0.000 0.981 242 Y HN -0.115 nan 8.280 nan 0.000 0.507 243 V N 0.215 119.997 119.914 -0.220 0.000 2.282 243 V HA -0.364 3.797 4.120 0.069 0.000 0.249 243 V C 2.614 178.648 176.094 -0.101 0.000 1.057 243 V CA 2.334 64.505 62.300 -0.216 0.000 1.032 243 V CB -1.311 30.272 31.823 -0.400 0.000 0.645 243 V HN 0.668 nan 8.190 nan 0.000 0.447 244 S N -0.230 115.451 115.700 -0.031 0.000 2.442 244 S HA -0.069 4.443 4.470 0.069 0.000 0.236 244 S C 1.694 176.261 174.600 -0.056 0.000 1.007 244 S CA 1.420 59.627 58.200 0.011 0.000 0.965 244 S CB -0.466 62.768 63.200 0.057 0.000 0.773 244 S HN 0.571 nan 8.310 nan 0.000 0.504 245 L N -0.172 120.969 121.223 -0.136 0.000 2.585 245 L HA 0.327 4.708 4.340 0.069 0.000 0.226 245 L C 0.637 177.341 176.870 -0.277 0.000 1.113 245 L CA 0.125 54.861 54.840 -0.174 0.000 0.876 245 L CB 0.023 41.982 42.059 -0.167 0.000 1.072 245 L HN 0.234 nan 8.230 nan 0.000 0.468 246 Q N 0.553 120.147 119.800 -0.343 0.000 3.064 246 Q HA 0.236 4.618 4.340 0.069 0.000 0.258 246 Q C -1.949 173.835 176.000 -0.360 0.000 0.972 246 Q CA -1.399 54.159 55.803 -0.409 0.000 0.761 246 Q CB 1.528 29.904 28.738 -0.602 0.000 1.281 246 Q HN 0.019 nan 8.270 nan 0.000 0.455 247 P HA -0.183 nan 4.420 nan 0.000 0.230 247 P C 0.894 177.876 177.300 -0.530 0.000 1.158 247 P CA 0.893 63.731 63.100 -0.436 0.000 0.769 247 P CB 0.261 31.662 31.700 -0.499 0.000 0.807 248 E N 0.753 120.531 120.200 -0.703 0.000 2.267 248 E HA -0.161 4.231 4.350 0.069 0.000 0.197 248 E C 1.337 177.891 176.600 -0.076 0.000 0.998 248 E CA 1.718 57.953 56.400 -0.276 0.000 0.830 248 E CB -1.196 28.434 29.700 -0.116 0.000 0.751 248 E HN 0.275 nan 8.360 nan 0.000 0.491 249 T N -0.829 113.689 114.554 -0.061 0.000 3.085 249 T HA 0.065 4.456 4.350 0.069 0.000 0.263 249 T C 1.902 176.677 174.700 0.126 0.000 1.127 249 T CA 0.199 62.337 62.100 0.064 0.000 1.103 249 T CB -0.249 68.694 68.868 0.124 0.000 0.921 249 T HN 0.132 nan 8.240 nan 0.000 0.510 250 L N -0.036 121.256 121.223 0.116 0.000 2.201 250 L HA -0.010 4.372 4.340 0.069 0.000 0.212 250 L C 2.793 179.834 176.870 0.286 0.000 1.105 250 L CA 1.402 56.383 54.840 0.235 0.000 0.775 250 L CB -0.722 41.486 42.059 0.248 0.000 0.913 250 L HN 0.470 nan 8.230 nan 0.000 0.440 251 H N 0.127 119.244 119.070 0.078 0.000 2.270 251 H HA -0.201 4.397 4.556 0.070 0.000 0.299 251 H C 2.132 177.457 175.328 -0.006 0.000 1.077 251 H CA 1.784 57.874 56.048 0.070 0.000 1.294 251 H CB 0.245 30.006 29.762 -0.001 0.000 1.371 251 H HN 0.348 nan 8.280 nan 0.000 0.491 252 N N -0.100 118.432 118.700 -0.281 0.000 2.309 252 N HA -0.120 4.662 4.740 0.069 0.000 0.182 252 N C 1.877 177.206 175.510 -0.301 0.000 1.018 252 N CA 0.622 53.270 53.050 -0.670 0.000 0.876 252 N CB 0.293 37.894 38.487 -1.476 0.000 0.972 252 N HN 0.128 nan 8.380 nan 0.000 0.434 253 V N 1.534 121.498 119.914 0.084 0.000 2.427 253 V HA -0.214 3.948 4.120 0.069 0.000 0.248 253 V C 2.435 178.658 176.094 0.215 0.000 1.051 253 V CA 1.115 63.608 62.300 0.322 0.000 1.048 253 V CB -0.309 31.764 31.823 0.417 0.000 0.666 253 V HN 0.402 nan 8.190 nan 0.000 0.456 254 M N -1.644 118.120 119.600 0.272 0.000 2.117 254 M HA -0.200 4.322 4.480 0.069 0.000 0.262 254 M C 2.081 178.371 176.300 -0.018 0.000 1.065 254 M CA 1.865 57.328 55.300 0.271 0.000 1.114 254 M CB -1.126 31.684 32.600 0.351 0.000 1.361 254 M HN 0.462 nan 8.290 nan 0.000 0.408 255 W N 0.687 121.714 121.300 -0.455 0.000 2.355 255 W HA -0.095 4.607 4.660 0.069 0.000 0.309 255 W C 2.851 179.288 176.519 -0.137 0.000 1.206 255 W CA 1.880 58.928 57.345 -0.495 0.000 1.284 255 W CB -1.154 27.951 29.460 -0.591 0.000 1.145 255 W HN 0.285 nan 8.180 nan 0.000 0.502 256 A N -0.529 122.362 122.820 0.119 0.000 1.940 256 A HA -0.215 4.147 4.320 0.069 0.000 0.219 256 A C 1.935 179.557 177.584 0.064 0.000 1.176 256 A CA 1.911 54.023 52.037 0.125 0.000 0.631 256 A CB -0.639 18.473 19.000 0.186 0.000 0.814 256 A HN 0.130 nan 8.150 nan 0.000 0.446 257 M N 0.585 120.175 119.600 -0.017 0.000 2.492 257 M HA 0.015 4.537 4.480 0.069 0.000 0.262 257 M C 1.431 177.761 176.300 0.051 0.000 1.090 257 M CA 0.808 56.038 55.300 -0.116 0.000 1.110 257 M CB -1.389 30.876 32.600 -0.559 0.000 1.407 257 M HN 0.558 nan 8.290 nan 0.000 0.470 258 S N 0.184 115.974 115.700 0.150 0.000 2.634 258 S HA 0.105 4.616 4.470 0.069 0.000 0.261 258 S C 0.726 175.451 174.600 0.209 0.000 1.271 258 S CA -0.487 57.848 58.200 0.225 0.000 0.985 258 S CB 1.073 64.461 63.200 0.313 0.000 0.968 258 S HN 0.176 nan 8.310 nan 0.000 0.568 259 D N 0.366 120.911 120.400 0.242 0.000 2.351 259 D HA -0.011 4.670 4.640 0.069 0.000 0.216 259 D C 1.875 178.319 176.300 0.239 0.000 0.968 259 D CA 0.420 54.581 54.000 0.267 0.000 0.899 259 D CB -0.181 40.843 40.800 0.372 0.000 0.907 259 D HN 0.413 nan 8.370 nan 0.000 0.514 260 R N 0.299 120.933 120.500 0.224 0.000 2.170 260 R HA -0.089 4.292 4.340 0.069 0.000 0.242 260 R C 2.109 178.564 176.300 0.258 0.000 1.145 260 R CA 1.064 57.321 56.100 0.262 0.000 0.984 260 R CB -0.894 29.622 30.300 0.359 0.000 0.869 260 R HN 0.205 nan 8.270 nan 0.000 0.455 261 G N 1.433 110.369 108.800 0.228 0.000 2.559 261 G HA2 -0.070 3.931 3.960 0.069 0.000 0.216 261 G HA3 -0.070 3.931 3.960 0.069 0.000 0.216 261 G C 1.087 176.124 174.900 0.228 0.000 1.126 261 G CA 0.293 45.517 45.100 0.207 0.000 0.778 261 G HN 0.450 nan 8.290 nan 0.000 0.543 262 I N -2.370 118.346 120.570 0.244 0.000 2.933 262 I HA 0.341 4.553 4.170 0.069 0.000 0.306 262 I C -2.856 173.413 176.117 0.254 0.000 1.516 262 I CA -2.491 58.960 61.300 0.252 0.000 0.819 262 I CB 1.668 39.821 38.000 0.255 0.000 2.085 262 I HN -0.261 nan 8.210 nan 0.000 0.621 263 P HA 0.033 nan 4.420 nan 0.000 0.267 263 P C 0.576 178.011 177.300 0.225 0.000 1.200 263 P CA -0.040 63.168 63.100 0.180 0.000 0.772 263 P CB 1.170 32.912 31.700 0.070 0.000 0.855 264 R N 1.852 122.464 120.500 0.186 0.000 2.115 264 R HA 0.009 4.391 4.340 0.069 0.000 0.230 264 R C 0.495 176.909 176.300 0.191 0.000 1.111 264 R CA 1.462 57.713 56.100 0.252 0.000 0.976 264 R CB -0.346 30.076 30.300 0.204 0.000 0.870 264 R HN 0.556 nan 8.270 nan 0.000 0.445 265 S N -2.782 112.828 115.700 -0.149 0.000 2.567 265 S HA 0.212 4.723 4.470 0.069 0.000 0.270 265 S C -0.292 173.966 174.600 -0.571 0.000 1.152 265 S CA -0.877 57.052 58.200 -0.452 0.000 0.835 265 S CB 0.169 63.263 63.200 -0.177 0.000 1.115 265 S HN 0.117 nan 8.310 nan 0.000 0.459 266 Y N 2.132 122.033 120.300 -0.666 0.000 2.384 266 Y HA 0.022 4.613 4.550 0.069 0.000 0.289 266 Y C 2.359 177.912 175.900 -0.578 0.000 1.152 266 Y CA 1.161 58.754 58.100 -0.846 0.000 1.258 266 Y CB -0.351 37.195 38.460 -1.523 0.000 0.979 266 Y HN 0.550 nan 8.280 nan 0.000 0.549 267 R N -0.492 119.881 120.500 -0.211 0.000 2.235 267 R HA -0.030 4.351 4.340 0.069 0.000 0.213 267 R C 0.945 177.203 176.300 -0.071 0.000 1.059 267 R CA 1.485 57.511 56.100 -0.122 0.000 0.997 267 R CB -0.356 29.869 30.300 -0.125 0.000 0.884 267 R HN 0.350 nan 8.270 nan 0.000 0.462 268 T N -1.924 112.605 114.554 -0.041 0.000 3.374 268 T HA 0.354 4.746 4.350 0.069 0.000 0.267 268 T C 0.124 174.867 174.700 0.072 0.000 0.996 268 T CA -0.685 61.421 62.100 0.009 0.000 0.977 268 T CB -0.065 68.793 68.868 -0.017 0.000 1.149 268 T HN 0.064 nan 8.240 nan 0.000 0.517 269 M N -1.131 118.558 119.600 0.147 0.000 2.619 269 M HA 0.729 5.251 4.480 0.069 0.000 0.297 269 M C -1.126 175.363 176.300 0.314 0.000 1.229 269 M CA -0.872 54.555 55.300 0.212 0.000 0.860 269 M CB 2.125 34.844 32.600 0.198 0.000 1.741 269 M HN -0.141 nan 8.290 nan 0.000 0.462 270 E N 0.538 120.916 120.200 0.298 0.000 2.371 270 E HA 0.601 4.992 4.350 0.069 0.000 0.257 270 E C -0.184 176.501 176.600 0.142 0.000 1.134 270 E CA -0.347 56.168 56.400 0.191 0.000 0.919 270 E CB 1.401 31.150 29.700 0.082 0.000 1.025 270 E HN 0.843 nan 8.360 nan 0.000 0.438 271 G N 0.738 109.446 108.800 -0.152 0.000 2.519 271 G HA2 0.641 4.642 3.960 0.069 0.000 0.307 271 G HA3 0.641 4.642 3.960 0.069 0.000 0.307 271 G C -1.463 172.963 174.900 -0.790 0.000 1.266 271 G CA -0.502 44.462 45.100 -0.227 0.000 0.970 271 G HN 0.297 nan 8.290 nan 0.000 0.481 272 F N -0.618 119.284 119.950 -0.080 0.000 2.608 272 F HA 0.476 5.045 4.527 0.069 0.000 0.309 272 F C 1.079 176.796 175.800 -0.139 0.000 1.103 272 F CA -0.522 57.351 58.000 -0.213 0.000 0.954 272 F CB 2.440 41.264 39.000 -0.293 0.000 1.267 272 F HN 0.619 nan 8.300 nan 0.000 0.444 273 G N 0.547 109.413 108.800 0.109 0.000 2.598 273 G HA2 0.193 4.195 3.960 0.069 0.000 0.215 273 G HA3 0.193 4.195 3.960 0.069 0.000 0.215 273 G C 1.094 176.060 174.900 0.110 0.000 1.131 273 G CA 0.931 46.155 45.100 0.208 0.000 0.785 273 G HN 0.694 nan 8.290 nan 0.000 0.539 274 V N -0.203 119.692 119.914 -0.031 0.000 0.558 274 V HA -0.312 3.850 4.120 0.069 0.000 0.092 274 V C 1.035 176.976 176.094 -0.255 0.000 2.022 274 V CA 2.076 64.221 62.300 -0.258 0.000 3.478 274 V CB -1.465 30.090 31.823 -0.447 0.000 0.770 274 V HN 0.617 nan 8.190 nan 0.000 0.801 275 H N 0.953 120.023 119.070 0.000 0.000 2.607 275 H HA 0.374 4.971 4.556 0.069 0.000 0.367 275 H C 0.329 175.564 175.328 -0.155 0.000 1.181 275 H CA 0.751 56.696 56.048 -0.171 0.000 1.402 275 H CB 0.522 30.000 29.762 -0.474 0.000 1.474 275 H HN 0.510 nan 8.280 nan 0.000 0.596 276 T N 3.572 118.073 114.554 -0.089 0.000 2.814 276 T HA 0.227 4.618 4.350 0.069 0.000 0.297 276 T C 0.254 174.863 174.700 -0.151 0.000 0.956 276 T CA 0.030 62.072 62.100 -0.097 0.000 1.123 276 T CB -0.173 68.599 68.868 -0.159 0.000 0.902 276 T HN 0.233 nan 8.240 nan 0.000 0.528 277 F N 1.333 121.225 119.950 -0.096 0.000 2.629 277 F HA 0.663 5.231 4.527 0.069 0.000 0.386 277 F C 1.043 176.798 175.800 -0.075 0.000 1.135 277 F CA -1.314 56.657 58.000 -0.048 0.000 1.116 277 F CB 1.337 40.272 39.000 -0.109 0.000 1.426 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.446 121.009 120.500 0.105 0.000 2.740 278 R HA 0.650 5.031 4.340 0.069 0.000 0.282 278 R C -1.615 174.576 176.300 -0.182 0.000 0.969 278 R CA -0.866 55.162 56.100 -0.121 0.000 0.918 278 R CB 1.943 32.101 30.300 -0.237 0.000 1.175 278 R HN 0.426 nan 8.270 nan 0.000 0.464 279 L N 3.363 124.432 121.223 -0.256 0.000 2.322 279 L HA 0.543 4.925 4.340 0.069 0.000 0.279 279 L C -0.493 176.227 176.870 -0.250 0.000 1.036 279 L CA -0.905 53.793 54.840 -0.236 0.000 0.807 279 L CB 1.355 43.281 42.059 -0.221 0.000 1.226 279 L HN 0.369 nan 8.230 nan 0.000 0.433 280 I N 2.799 123.245 120.570 -0.207 0.000 2.447 280 I HA 0.263 4.474 4.170 0.069 0.000 0.287 280 I C -0.297 175.737 176.117 -0.137 0.000 1.023 280 I CA -0.664 60.518 61.300 -0.196 0.000 1.083 280 I CB 1.490 39.379 38.000 -0.185 0.000 1.245 280 I HN 0.638 nan 8.210 nan 0.000 0.434 281 N N 4.958 123.589 118.700 -0.114 0.000 2.448 281 N HA 0.367 5.148 4.740 0.069 0.000 0.274 281 N C 0.828 176.299 175.510 -0.065 0.000 1.239 281 N CA -0.339 52.663 53.050 -0.081 0.000 0.982 281 N CB 0.673 39.120 38.487 -0.067 0.000 1.199 281 N HN 0.525 nan 8.380 nan 0.000 0.576 282 A N -0.595 122.196 122.820 -0.050 0.000 2.019 282 A HA -0.104 4.257 4.320 0.069 0.000 0.219 282 A C 1.463 179.027 177.584 -0.033 0.000 1.164 282 A CA 1.239 53.252 52.037 -0.040 0.000 0.644 282 A CB -0.672 18.311 19.000 -0.029 0.000 0.805 282 A HN 0.692 nan 8.150 nan 0.000 0.449 283 E N -1.337 118.844 120.200 -0.031 0.000 2.482 283 E HA 0.232 4.624 4.350 0.069 0.000 0.196 283 E C 1.332 177.921 176.600 -0.017 0.000 1.047 283 E CA 0.690 57.076 56.400 -0.022 0.000 0.869 283 E CB -0.235 29.452 29.700 -0.020 0.000 0.836 283 E HN 0.760 nan 8.360 nan 0.000 0.520 284 G N 0.860 109.647 108.800 -0.021 0.000 2.176 284 G HA2 -0.327 3.675 3.960 0.069 0.000 0.232 284 G HA3 -0.327 3.675 3.960 0.069 0.000 0.232 284 G C 0.352 175.271 174.900 0.033 0.000 0.986 284 G CA 0.222 45.328 45.100 0.011 0.000 0.643 284 G HN 0.281 nan 8.290 nan 0.000 0.522 285 K N 0.924 121.307 120.400 -0.028 0.000 2.298 285 K HA 0.658 5.020 4.320 0.069 0.000 0.280 285 K C 0.557 177.040 176.600 -0.196 0.000 1.032 285 K CA 0.232 56.479 56.287 -0.067 0.000 0.958 285 K CB 0.590 33.049 32.500 -0.069 0.000 0.978 285 K HN 0.571 nan 8.250 nan 0.000 0.472 286 A N 3.267 125.875 122.820 -0.353 0.000 2.305 286 A HA 0.451 4.812 4.320 0.069 0.000 0.322 286 A C -0.798 176.486 177.584 -0.499 0.000 1.187 286 A CA -0.518 51.147 52.037 -0.620 0.000 0.825 286 A CB 1.207 19.414 19.000 -1.322 0.000 1.164 286 A HN 0.720 nan 8.150 nan 0.000 0.498 287 T N 2.144 116.432 114.554 -0.444 0.000 2.861 287 T HA 0.538 4.930 4.350 0.069 0.000 0.287 287 T C -0.695 173.788 174.700 -0.362 0.000 1.003 287 T CA -0.111 61.782 62.100 -0.346 0.000 0.977 287 T CB 0.510 69.269 68.868 -0.181 0.000 0.996 287 T HN 0.336 nan 8.240 nan 0.000 0.448 288 F N 2.060 121.917 119.950 -0.156 0.000 2.471 288 F HA 0.528 5.097 4.527 0.069 0.000 0.353 288 F C 0.564 176.252 175.800 -0.188 0.000 1.113 288 F CA -0.449 57.455 58.000 -0.161 0.000 1.262 288 F CB 0.684 39.610 39.000 -0.123 0.000 1.146 288 F HN 0.194 nan 8.300 nan 0.000 0.578 289 V N 4.753 124.634 119.914 -0.054 0.000 2.841 289 V HA 0.612 4.774 4.120 0.069 0.000 0.310 289 V C -0.977 174.910 176.094 -0.344 0.000 1.090 289 V CA -0.782 61.347 62.300 -0.285 0.000 0.930 289 V CB 2.160 33.596 31.823 -0.644 0.000 1.014 289 V HN 0.775 nan 8.190 nan 0.000 0.425 290 R N 4.414 124.759 120.500 -0.258 0.000 2.562 290 R HA 0.568 4.949 4.340 0.069 0.000 0.298 290 R C -1.659 174.577 176.300 -0.106 0.000 0.961 290 R CA -0.480 55.499 56.100 -0.201 0.000 0.881 290 R CB 2.043 32.344 30.300 0.002 0.000 1.159 290 R HN 0.594 nan 8.270 nan 0.000 0.450 291 F N 2.083 122.081 119.950 0.081 0.000 2.385 291 F HA 0.367 4.936 4.527 0.070 0.000 0.336 291 F C 0.899 176.642 175.800 -0.094 0.000 1.100 291 F CA -0.139 57.879 58.000 0.029 0.000 1.116 291 F CB 0.921 39.823 39.000 -0.164 0.000 1.166 291 F HN 0.202 nan 8.300 nan 0.000 0.511 292 H N 1.071 120.151 119.070 0.016 0.000 2.717 292 H HA 0.238 4.835 4.556 0.070 0.000 0.366 292 H C -1.496 173.613 175.328 -0.365 0.000 1.132 292 H CA -0.968 54.980 56.048 -0.166 0.000 1.180 292 H CB 1.839 31.599 29.762 -0.004 0.000 1.678 292 H HN 0.665 nan 8.280 nan 0.000 0.537 293 W N 2.337 123.516 121.300 -0.202 0.000 2.529 293 W HA 0.336 5.038 4.660 0.070 0.000 0.321 293 W C 0.017 176.557 176.519 0.036 0.000 1.047 293 W CA -0.801 56.486 57.345 -0.096 0.000 1.216 293 W CB 1.695 30.912 29.460 -0.405 0.000 1.357 293 W HN 0.293 nan 8.180 nan 0.000 0.489 294 K N 5.556 126.232 120.400 0.460 0.000 2.265 294 K HA 0.392 4.753 4.320 0.069 0.000 0.267 294 K C -2.445 174.392 176.600 0.394 0.000 0.994 294 K CA -1.920 54.573 56.287 0.344 0.000 0.860 294 K CB 1.426 34.081 32.500 0.257 0.000 1.099 294 K HN 0.044 nan 8.250 nan 0.000 0.448 295 P HA 0.070 nan 4.420 nan 0.000 0.282 295 P C 0.255 177.568 177.300 0.023 0.000 1.274 295 P CA -0.166 63.005 63.100 0.119 0.000 0.770 295 P CB 0.883 32.666 31.700 0.137 0.000 0.867 296 L N 2.693 123.869 121.223 -0.078 0.000 2.376 296 L HA -0.045 4.337 4.340 0.069 0.000 0.219 296 L C 2.258 179.110 176.870 -0.030 0.000 1.133 296 L CA 1.008 55.837 54.840 -0.017 0.000 0.816 296 L CB -0.613 41.445 42.059 -0.001 0.000 0.933 296 L HN 0.345 nan 8.230 nan 0.000 0.449 297 A N 0.133 122.909 122.820 -0.074 0.000 2.206 297 A HA 0.369 4.731 4.320 0.069 0.000 0.211 297 A C 1.315 178.897 177.584 -0.003 0.000 1.158 297 A CA 0.739 52.750 52.037 -0.044 0.000 0.761 297 A CB -0.497 18.460 19.000 -0.071 0.000 0.801 297 A HN 0.459 nan 8.150 nan 0.000 0.473 298 G N -0.801 108.010 108.800 0.019 0.000 2.756 298 G HA2 -0.146 3.855 3.960 0.069 0.000 0.678 298 G HA3 -0.146 3.855 3.960 0.069 0.000 0.678 298 G C -0.604 174.327 174.900 0.053 0.000 1.349 298 G CA -0.336 44.796 45.100 0.053 0.000 0.847 298 G HN 0.478 nan 8.290 nan 0.000 0.548 299 K N 0.179 120.618 120.400 0.065 0.000 2.183 299 K HA 0.711 5.072 4.320 0.069 0.000 0.274 299 K C 0.196 176.802 176.600 0.009 0.000 1.009 299 K CA 0.228 56.539 56.287 0.040 0.000 0.888 299 K CB 1.728 34.240 32.500 0.021 0.000 1.078 299 K HN 1.468 nan 8.250 nan 0.000 0.459 300 A N 1.807 124.621 122.820 -0.010 0.000 2.540 300 A HA 0.553 4.914 4.320 0.069 0.000 0.297 300 A C -1.142 176.492 177.584 0.082 0.000 1.056 300 A CA -0.679 51.313 52.037 -0.074 0.000 0.700 300 A CB 1.639 20.386 19.000 -0.421 0.000 1.280 300 A HN 0.512 nan 8.150 nan 0.000 0.398 301 S N 0.701 116.607 115.700 0.345 0.000 2.634 301 S HA 0.769 5.280 4.470 0.069 0.000 0.296 301 S C -0.053 174.866 174.600 0.532 0.000 1.104 301 S CA -0.597 57.841 58.200 0.397 0.000 0.920 301 S CB 1.215 64.637 63.200 0.371 0.000 1.111 301 S HN 0.645 nan 8.310 nan 0.000 0.493 302 L N 1.361 122.785 121.223 0.336 0.000 2.490 302 L HA 0.539 4.921 4.340 0.069 0.000 0.245 302 L C 0.111 177.100 176.870 0.199 0.000 1.185 302 L CA -0.755 54.205 54.840 0.199 0.000 0.813 302 L CB 0.246 42.331 42.059 0.043 0.000 1.233 302 L HN 0.495 nan 8.230 nan 0.000 0.489 303 V N -2.903 117.031 119.914 0.034 0.000 2.850 303 V HA 0.178 4.340 4.120 0.069 0.000 0.315 303 V C 0.658 176.701 176.094 -0.085 0.000 1.064 303 V CA -0.740 61.551 62.300 -0.016 0.000 0.979 303 V CB 1.581 33.372 31.823 -0.052 0.000 1.039 303 V HN 0.941 nan 8.190 nan 0.000 0.452 304 W N 1.778 122.945 121.300 -0.221 0.000 2.338 304 W HA -0.199 4.502 4.660 0.069 0.000 0.304 304 W C 1.749 178.112 176.519 -0.260 0.000 1.212 304 W CA 2.436 59.642 57.345 -0.231 0.000 1.264 304 W CB -0.044 29.260 29.460 -0.260 0.000 1.142 304 W HN 1.005 nan 8.180 nan 0.000 0.512 305 D N 0.224 120.358 120.400 -0.444 0.000 2.144 305 D HA -0.271 4.410 4.640 0.069 0.000 0.199 305 D C 2.141 178.086 176.300 -0.591 0.000 0.984 305 D CA 1.947 55.652 54.000 -0.492 0.000 0.834 305 D CB -0.401 40.358 40.800 -0.068 0.000 0.955 305 D HN 0.332 nan 8.370 nan 0.000 0.465 306 E N -0.361 119.355 120.200 -0.808 0.000 2.047 306 E HA -0.193 4.199 4.350 0.069 0.000 0.191 306 E C 2.040 178.287 176.600 -0.587 0.000 0.987 306 E CA 0.993 56.860 56.400 -0.887 0.000 0.799 306 E CB -0.211 28.878 29.700 -1.018 0.000 0.752 306 E HN 0.305 nan 8.360 nan 0.000 0.449 307 A N 1.160 123.660 122.820 -0.533 0.000 1.908 307 A HA -0.272 4.089 4.320 0.069 0.000 0.218 307 A C 2.168 179.405 177.584 -0.578 0.000 1.181 307 A CA 1.890 53.654 52.037 -0.456 0.000 0.627 307 A CB -0.688 18.147 19.000 -0.275 0.000 0.818 307 A HN 0.440 nan 8.150 nan 0.000 0.445 308 Q N -0.459 118.798 119.800 -0.905 0.000 2.049 308 Q HA -0.157 4.224 4.340 0.069 0.000 0.198 308 Q C 2.032 177.756 176.000 -0.461 0.000 0.971 308 Q CA 1.587 56.887 55.803 -0.839 0.000 0.833 308 Q CB -0.110 27.871 28.738 -1.262 0.000 0.896 308 Q HN 0.676 nan 8.270 nan 0.000 0.434 309 K N 0.170 120.318 120.400 -0.419 0.000 2.057 309 K HA -0.169 4.193 4.320 0.069 0.000 0.207 309 K C 2.073 178.528 176.600 -0.242 0.000 1.049 309 K CA 0.960 57.092 56.287 -0.258 0.000 0.931 309 K CB -0.169 32.217 32.500 -0.189 0.000 0.714 309 K HN 0.156 nan 8.250 nan 0.000 0.440 310 L N 1.658 122.692 121.223 -0.315 0.000 2.131 310 L HA -0.171 4.211 4.340 0.069 0.000 0.210 310 L C 2.386 179.118 176.870 -0.230 0.000 1.092 310 L CA 2.098 56.752 54.840 -0.309 0.000 0.759 310 L CB -1.173 40.609 42.059 -0.463 0.000 0.903 310 L HN 0.357 nan 8.230 nan 0.000 0.435 311 T N -4.349 110.071 114.554 -0.222 0.000 2.849 311 T HA -0.110 4.281 4.350 0.069 0.000 0.270 311 T C 1.839 176.474 174.700 -0.108 0.000 1.066 311 T CA 1.129 63.141 62.100 -0.147 0.000 1.130 311 T CB -0.926 67.864 68.868 -0.129 0.000 0.864 311 T HN 0.391 nan 8.240 nan 0.000 0.481 312 G N 0.929 109.660 108.800 -0.116 0.000 2.437 312 G HA2 0.027 4.029 3.960 0.069 0.000 0.212 312 G HA3 0.027 4.029 3.960 0.069 0.000 0.212 312 G C 1.907 176.765 174.900 -0.069 0.000 1.174 312 G CA -0.272 44.778 45.100 -0.082 0.000 0.811 312 G HN 0.308 nan 8.290 nan 0.000 0.537 313 R N 0.205 120.655 120.500 -0.083 0.000 2.119 313 R HA 0.070 4.452 4.340 0.069 0.000 0.222 313 R C -0.178 176.099 176.300 -0.038 0.000 1.088 313 R CA 0.682 56.747 56.100 -0.058 0.000 0.984 313 R CB -0.136 30.123 30.300 -0.068 0.000 0.884 313 R HN 0.311 nan 8.270 nan 0.000 0.447 314 D N -0.272 120.099 120.400 -0.049 0.000 2.472 314 D HA 0.150 4.831 4.640 0.069 0.000 0.248 314 D C -2.105 174.196 176.300 0.002 0.000 1.271 314 D CA -1.796 52.208 54.000 0.006 0.000 0.888 314 D CB 1.341 42.195 40.800 0.089 0.000 1.337 314 D HN -0.128 nan 8.370 nan 0.000 0.526 315 P HA 0.021 nan 4.420 nan 0.000 0.234 315 P C 0.003 177.306 177.300 0.004 0.000 1.167 315 P CA 0.569 63.655 63.100 -0.023 0.000 0.763 315 P CB 0.508 32.191 31.700 -0.028 0.000 0.835 316 D N -1.298 119.117 120.400 0.026 0.000 2.525 316 D HA 0.088 4.770 4.640 0.069 0.000 0.229 316 D C 1.049 177.388 176.300 0.064 0.000 1.202 316 D CA -0.473 53.548 54.000 0.034 0.000 0.828 316 D CB -0.535 40.263 40.800 -0.005 0.000 1.008 316 D HN 0.115 nan 8.370 nan 0.000 0.493 317 F N 0.907 120.799 119.950 -0.096 0.000 2.171 317 F HA -0.180 4.388 4.527 0.069 0.000 0.300 317 F C 1.985 177.765 175.800 -0.033 0.000 1.090 317 F CA 1.758 59.702 58.000 -0.093 0.000 1.293 317 F CB 0.134 39.029 39.000 -0.175 0.000 1.013 317 F HN 0.121 nan 8.300 nan 0.000 0.486 318 H N -1.228 117.779 119.070 -0.106 0.000 2.403 318 H HA -0.038 4.560 4.556 0.069 0.000 0.298 318 H C 2.343 177.582 175.328 -0.150 0.000 1.059 318 H CA 0.733 56.570 56.048 -0.353 0.000 1.363 318 H CB -0.060 29.300 29.762 -0.671 0.000 1.410 318 H HN 0.158 nan 8.280 nan 0.000 0.528 319 R N 1.338 121.943 120.500 0.175 0.000 2.081 319 R HA -0.136 4.246 4.340 0.069 0.000 0.235 319 R C 2.422 178.824 176.300 0.169 0.000 1.131 319 R CA 1.376 57.625 56.100 0.248 0.000 0.960 319 R CB -0.026 30.400 30.300 0.211 0.000 0.856 319 R HN 0.195 nan 8.270 nan 0.000 0.436 320 R N 0.243 120.761 120.500 0.031 0.000 2.075 320 R HA -0.127 4.254 4.340 0.069 0.000 0.232 320 R C 2.107 178.398 176.300 -0.015 0.000 1.126 320 R CA 1.561 57.660 56.100 -0.001 0.000 0.963 320 R CB -0.162 30.098 30.300 -0.068 0.000 0.858 320 R HN 0.260 nan 8.270 nan 0.000 0.435 321 E N 0.611 120.700 120.200 -0.185 0.000 2.106 321 E HA -0.183 4.208 4.350 0.069 0.000 0.192 321 E C 1.966 178.543 176.600 -0.039 0.000 0.984 321 E CA 0.899 57.168 56.400 -0.219 0.000 0.806 321 E CB -0.018 29.398 29.700 -0.473 0.000 0.750 321 E HN 0.253 nan 8.360 nan 0.000 0.458 322 L N 0.899 122.144 121.223 0.038 0.000 2.005 322 L HA -0.146 4.236 4.340 0.069 0.000 0.207 322 L C 2.205 179.187 176.870 0.186 0.000 1.072 322 L CA 1.815 56.727 54.840 0.120 0.000 0.744 322 L CB -1.029 41.166 42.059 0.227 0.000 0.895 322 L HN 0.316 nan 8.230 nan 0.000 0.433 323 W N 0.875 122.213 121.300 0.063 0.000 2.358 323 W HA -0.210 4.493 4.660 0.070 0.000 0.303 323 W C 2.177 178.729 176.519 0.055 0.000 1.208 323 W CA 2.133 59.527 57.345 0.081 0.000 1.274 323 W CB -0.059 29.451 29.460 0.085 0.000 1.138 323 W HN 0.369 nan 8.180 nan 0.000 0.515 324 E N -0.045 120.335 120.200 0.300 0.000 2.107 324 E HA -0.119 4.273 4.350 0.069 0.000 0.191 324 E C 2.391 179.025 176.600 0.056 0.000 0.982 324 E CA 0.984 57.482 56.400 0.164 0.000 0.809 324 E CB -0.374 29.374 29.700 0.079 0.000 0.756 324 E HN 0.165 nan 8.360 nan 0.000 0.459 325 A N 1.526 124.376 122.820 0.050 0.000 1.892 325 A HA -0.217 4.144 4.320 0.069 0.000 0.218 325 A C 2.184 179.795 177.584 0.044 0.000 1.188 325 A CA 1.311 53.369 52.037 0.036 0.000 0.631 325 A CB -0.693 18.331 19.000 0.041 0.000 0.822 325 A HN 0.151 nan 8.150 nan 0.000 0.447 326 I N -0.522 120.100 120.570 0.087 0.000 2.286 326 I HA -0.242 3.970 4.170 0.069 0.000 0.248 326 I C 2.422 178.610 176.117 0.118 0.000 1.115 326 I CA 1.483 62.889 61.300 0.177 0.000 1.392 326 I CB -0.439 37.600 38.000 0.065 0.000 1.065 326 I HN 0.433 nan 8.210 nan 0.000 0.418 327 E N 0.796 121.011 120.200 0.025 0.000 2.204 327 E HA -0.157 4.235 4.350 0.069 0.000 0.194 327 E C 2.112 178.719 176.600 0.012 0.000 0.989 327 E CA 1.103 57.527 56.400 0.040 0.000 0.824 327 E CB -0.059 29.695 29.700 0.090 0.000 0.756 327 E HN 0.507 nan 8.360 nan 0.000 0.477 328 A N 0.135 122.936 122.820 -0.032 0.000 2.218 328 A HA 0.238 4.600 4.320 0.069 0.000 0.209 328 A C 1.731 179.226 177.584 -0.149 0.000 1.168 328 A CA 0.843 52.836 52.037 -0.073 0.000 0.804 328 A CB -0.061 18.886 19.000 -0.089 0.000 0.834 328 A HN 0.313 nan 8.150 nan 0.000 0.482 329 G N -0.394 108.215 108.800 -0.318 0.000 2.143 329 G HA2 -0.194 3.808 3.960 0.069 0.000 0.249 329 G HA3 -0.194 3.808 3.960 0.069 0.000 0.249 329 G C -0.256 174.124 174.900 -0.867 0.000 0.981 329 G CA 0.253 44.826 45.100 -0.878 0.000 0.665 329 G HN 0.424 nan 8.290 nan 0.000 0.528 330 D N 0.790 120.942 120.400 -0.413 0.000 3.057 330 D HA 0.299 4.981 4.640 0.069 0.000 0.246 330 D C 0.815 177.062 176.300 -0.087 0.000 1.238 330 D CA -0.246 53.638 54.000 -0.192 0.000 0.949 330 D CB -0.603 40.186 40.800 -0.019 0.000 1.086 330 D HN 0.432 nan 8.370 nan 0.000 0.487 331 F N 1.275 121.232 119.950 0.011 0.000 2.608 331 F HA 0.099 4.667 4.527 0.069 0.000 0.380 331 F C -1.362 174.416 175.800 -0.037 0.000 1.083 331 F CA -1.911 56.089 58.000 -0.000 0.000 1.266 331 F CB -0.043 38.969 39.000 0.019 0.000 1.076 331 F HN -0.095 nan 8.300 nan 0.000 0.574 332 P HA 0.004 nan 4.420 nan 0.000 0.261 332 P C -1.049 176.202 177.300 -0.083 0.000 1.183 332 P CA 0.471 63.567 63.100 -0.006 0.000 0.761 332 P CB 0.410 32.194 31.700 0.139 0.000 0.785 333 E N 2.398 122.401 120.200 -0.327 0.000 2.266 333 E HA 0.469 4.860 4.350 0.069 0.000 0.268 333 E C -1.076 175.225 176.600 -0.498 0.000 0.879 333 E CA -0.581 55.685 56.400 -0.223 0.000 0.762 333 E CB 1.534 31.196 29.700 -0.064 0.000 1.199 333 E HN 0.367 nan 8.360 nan 0.000 0.422 334 Y N 0.273 120.653 120.300 0.134 0.000 2.492 334 Y HA 0.249 4.841 4.550 0.069 0.000 0.346 334 Y C -0.291 175.842 175.900 0.389 0.000 0.997 334 Y CA -0.948 57.307 58.100 0.259 0.000 1.025 334 Y CB 2.043 40.632 38.460 0.215 0.000 1.263 334 Y HN 0.455 nan 8.280 nan 0.000 0.454 335 E N 2.646 123.176 120.200 0.550 0.000 2.134 335 E HA 0.390 4.782 4.350 0.069 0.000 0.278 335 E C -1.441 175.438 176.600 0.465 0.000 0.959 335 E CA -0.951 55.729 56.400 0.466 0.000 0.783 335 E CB 1.026 30.935 29.700 0.348 0.000 1.095 335 E HN 0.588 nan 8.360 nan 0.000 0.399 336 L N 4.268 125.693 121.223 0.336 0.000 2.416 336 L HA 0.486 4.868 4.340 0.069 0.000 0.272 336 L C -0.028 176.791 176.870 -0.084 0.000 1.161 336 L CA 0.694 55.444 54.840 -0.151 0.000 0.845 336 L CB 1.008 42.930 42.059 -0.227 0.000 1.119 336 L HN 0.583 nan 8.230 nan 0.000 0.464 337 G N 4.238 112.999 108.800 -0.065 0.000 2.619 337 G HA2 0.575 4.577 3.960 0.069 0.000 0.296 337 G HA3 0.575 4.577 3.960 0.069 0.000 0.296 337 G C -1.663 173.389 174.900 0.255 0.000 1.334 337 G CA -0.540 44.556 45.100 -0.006 0.000 0.934 337 G HN 0.462 nan 8.290 nan 0.000 0.476 338 F N 0.147 120.118 119.950 0.035 0.000 2.529 338 F HA 0.384 4.952 4.527 0.069 0.000 0.320 338 F C 0.286 176.083 175.800 -0.006 0.000 1.118 338 F CA -0.977 57.050 58.000 0.045 0.000 0.915 338 F CB 2.627 41.641 39.000 0.022 0.000 1.161 338 F HN 0.141 nan 8.300 nan 0.000 0.445 339 Q N 4.363 124.278 119.800 0.192 0.000 2.296 339 Q HA 0.503 4.884 4.340 0.069 0.000 0.257 339 Q C -1.060 174.984 176.000 0.073 0.000 0.942 339 Q CA -0.435 55.425 55.803 0.095 0.000 0.939 339 Q CB 2.067 30.864 28.738 0.098 0.000 1.198 339 Q HN 0.528 nan 8.270 nan 0.000 0.429 340 L N 4.209 125.481 121.223 0.082 0.000 2.341 340 L HA 0.610 4.992 4.340 0.069 0.000 0.278 340 L C -0.714 176.212 176.870 0.092 0.000 1.005 340 L CA -0.743 54.137 54.840 0.068 0.000 0.818 340 L CB 1.292 43.398 42.059 0.078 0.000 1.259 340 L HN 0.511 nan 8.230 nan 0.000 0.418 341 I N 4.017 124.659 120.570 0.120 0.000 2.533 341 I HA 0.421 4.633 4.170 0.069 0.000 0.290 341 I C -2.372 173.855 176.117 0.183 0.000 1.056 341 I CA -1.756 59.655 61.300 0.185 0.000 1.057 341 I CB 2.398 40.538 38.000 0.233 0.000 1.240 341 I HN 0.321 nan 8.210 nan 0.000 0.423 342 P HA 0.113 nan 4.420 nan 0.000 0.272 342 P C 0.553 177.913 177.300 0.099 0.000 1.223 342 P CA -0.303 62.832 63.100 0.057 0.000 0.784 342 P CB 0.814 32.536 31.700 0.038 0.000 0.923 343 E N 1.931 122.096 120.200 -0.058 0.000 2.130 343 E HA -0.264 4.127 4.350 0.069 0.000 0.196 343 E C 1.336 178.011 176.600 0.125 0.000 0.998 343 E CA 1.214 57.583 56.400 -0.052 0.000 0.806 343 E CB 0.029 29.623 29.700 -0.178 0.000 0.738 343 E HN 0.492 nan 8.360 nan 0.000 0.459 344 E N 0.026 120.272 120.200 0.077 0.000 2.516 344 E HA -0.150 4.241 4.350 0.069 0.000 0.199 344 E C 0.302 176.953 176.600 0.085 0.000 1.069 344 E CA 0.708 57.161 56.400 0.088 0.000 0.876 344 E CB 0.111 29.845 29.700 0.057 0.000 0.843 344 E HN 0.220 nan 8.360 nan 0.000 0.530 345 D N 1.235 121.688 120.400 0.089 0.000 2.368 345 D HA 0.012 4.694 4.640 0.069 0.000 0.218 345 D C 1.297 177.601 176.300 0.007 0.000 1.112 345 D CA -0.006 54.015 54.000 0.036 0.000 0.834 345 D CB 0.254 41.090 40.800 0.060 0.000 0.953 345 D HN 0.383 nan 8.370 nan 0.000 0.505 346 E N -0.187 119.983 120.200 -0.050 0.000 2.097 346 E HA -0.197 4.194 4.350 0.069 0.000 0.196 346 E C 0.374 176.613 176.600 -0.602 0.000 1.000 346 E CA 1.135 57.283 56.400 -0.420 0.000 0.804 346 E CB 0.011 29.287 29.700 -0.708 0.000 0.740 346 E HN 0.258 nan 8.360 nan 0.000 0.454 347 F N -0.270 119.677 119.950 -0.007 0.000 2.750 347 F HA 0.286 4.855 4.527 0.069 0.000 0.297 347 F C 1.183 176.900 175.800 -0.138 0.000 1.138 347 F CA -0.296 57.673 58.000 -0.053 0.000 1.346 347 F CB 0.597 39.580 39.000 -0.030 0.000 0.965 347 F HN -0.175 nan 8.300 nan 0.000 0.514 348 K N 0.010 120.304 120.400 -0.176 0.000 2.444 348 K HA 0.139 4.500 4.320 0.069 0.000 0.193 348 K C -0.232 175.950 176.600 -0.697 0.000 1.024 348 K CA 0.323 56.343 56.287 -0.444 0.000 1.077 348 K CB 0.252 32.421 32.500 -0.553 0.000 0.833 348 K HN 0.166 nan 8.250 nan 0.000 0.517 349 F N 0.023 119.825 119.950 -0.247 0.000 2.509 349 F HA 0.168 4.737 4.527 0.070 0.000 0.334 349 F C 1.193 176.806 175.800 -0.311 0.000 1.060 349 F CA -1.033 56.724 58.000 -0.404 0.000 0.997 349 F CB 0.766 39.160 39.000 -1.010 0.000 1.271 349 F HN -0.211 nan 8.300 nan 0.000 0.488 350 D N 0.431 120.838 120.400 0.012 0.000 2.363 350 D HA 0.020 4.702 4.640 0.069 0.000 0.226 350 D C -0.364 176.035 176.300 0.164 0.000 1.020 350 D CA 0.943 55.014 54.000 0.118 0.000 0.892 350 D CB -0.249 40.705 40.800 0.255 0.000 0.900 350 D HN 0.266 nan 8.370 nan 0.000 0.531 351 F N -1.545 118.491 119.950 0.142 0.000 2.640 351 F HA 0.482 5.051 4.527 0.069 0.000 0.324 351 F C -0.319 175.477 175.800 -0.006 0.000 1.077 351 F CA -1.594 56.415 58.000 0.014 0.000 0.965 351 F CB 0.907 39.869 39.000 -0.063 0.000 1.351 351 F HN -0.417 nan 8.300 nan 0.000 0.487 352 D N 1.530 121.964 120.400 0.058 0.000 2.249 352 D HA 0.244 4.925 4.640 0.069 0.000 0.246 352 D C 0.991 177.244 176.300 -0.078 0.000 1.114 352 D CA -0.145 53.830 54.000 -0.042 0.000 0.854 352 D CB 1.592 42.388 40.800 -0.006 0.000 1.132 352 D HN 0.745 nan 8.370 nan 0.000 0.461 353 L N 3.379 124.489 121.223 -0.188 0.000 2.187 353 L HA -0.146 4.236 4.340 0.069 0.000 0.213 353 L C 2.004 178.745 176.870 -0.215 0.000 1.100 353 L CA 0.737 55.440 54.840 -0.229 0.000 0.765 353 L CB -0.125 41.645 42.059 -0.483 0.000 0.904 353 L HN 0.455 nan 8.230 nan 0.000 0.437 354 L N -0.893 120.230 121.223 -0.167 0.000 2.599 354 L HA 0.032 4.413 4.340 0.069 0.000 0.230 354 L C 0.477 177.266 176.870 -0.136 0.000 1.141 354 L CA -0.083 54.723 54.840 -0.056 0.000 0.877 354 L CB -0.331 41.820 42.059 0.153 0.000 1.009 354 L HN 0.118 nan 8.230 nan 0.000 0.447 355 D N 1.643 121.727 120.400 -0.527 0.000 2.347 355 D HA 0.129 4.811 4.640 0.069 0.000 0.235 355 D C -1.709 174.358 176.300 -0.388 0.000 1.149 355 D CA -2.349 51.088 54.000 -0.939 0.000 0.850 355 D CB 1.605 41.547 40.800 -1.430 0.000 1.061 355 D HN -0.088 nan 8.370 nan 0.000 0.487 356 P HA 0.015 nan 4.420 nan 0.000 0.249 356 P C 0.721 177.923 177.300 -0.163 0.000 1.229 356 P CA 0.385 63.411 63.100 -0.124 0.000 0.788 356 P CB 0.005 31.718 31.700 0.023 0.000 1.072 357 T N -4.391 110.055 114.554 -0.180 0.000 3.086 357 T HA 0.176 4.568 4.350 0.069 0.000 0.250 357 T C 0.728 175.339 174.700 -0.149 0.000 1.074 357 T CA -0.114 61.895 62.100 -0.151 0.000 0.988 357 T CB -0.114 68.713 68.868 -0.067 0.000 0.988 357 T HN -0.157 nan 8.240 nan 0.000 0.530 358 K N 2.103 122.321 120.400 -0.303 0.000 2.164 358 K HA 0.596 4.957 4.320 0.069 0.000 0.258 358 K C -0.277 176.145 176.600 -0.296 0.000 0.951 358 K CA -0.896 55.089 56.287 -0.504 0.000 0.844 358 K CB 2.112 34.190 32.500 -0.704 0.000 1.099 358 K HN 0.296 nan 8.250 nan 0.000 0.435 359 L N -0.539 120.646 121.223 -0.063 0.000 2.387 359 L HA 0.642 5.024 4.340 0.069 0.000 0.266 359 L C 0.012 176.697 176.870 -0.308 0.000 1.059 359 L CA -0.488 54.260 54.840 -0.155 0.000 0.801 359 L CB 0.333 42.365 42.059 -0.045 0.000 1.223 359 L HN 0.436 nan 8.230 nan 0.000 0.456 360 I N 1.608 122.085 120.570 -0.153 0.000 2.306 360 I HA 0.357 4.569 4.170 0.069 0.000 0.288 360 I C -2.116 174.004 176.117 0.004 0.000 1.036 360 I CA -1.638 59.621 61.300 -0.068 0.000 1.221 360 I CB 1.015 38.998 38.000 -0.028 0.000 1.385 360 I HN 0.442 nan 8.210 nan 0.000 0.472 361 P HA 0.060 nan 4.420 nan 0.000 0.268 361 P C 0.352 177.705 177.300 0.089 0.000 1.204 361 P CA -0.021 63.110 63.100 0.052 0.000 0.768 361 P CB 0.658 32.382 31.700 0.040 0.000 0.842 362 E N 1.652 121.915 120.200 0.105 0.000 2.204 362 E HA -0.201 4.190 4.350 0.069 0.000 0.195 362 E C 1.389 178.037 176.600 0.080 0.000 0.990 362 E CA 0.809 57.261 56.400 0.087 0.000 0.821 362 E CB -0.038 29.716 29.700 0.091 0.000 0.750 362 E HN 0.508 nan 8.360 nan 0.000 0.477 363 E N 0.416 120.664 120.200 0.081 0.000 2.209 363 E HA -0.161 4.231 4.350 0.069 0.000 0.196 363 E C 2.040 178.700 176.600 0.101 0.000 0.993 363 E CA 0.833 57.279 56.400 0.078 0.000 0.819 363 E CB 0.045 29.785 29.700 0.067 0.000 0.745 363 E HN 0.377 nan 8.360 nan 0.000 0.477 364 L N -0.509 120.795 121.223 0.134 0.000 2.221 364 L HA 0.061 4.442 4.340 0.069 0.000 0.202 364 L C 0.623 177.609 176.870 0.194 0.000 1.074 364 L CA 0.362 55.321 54.840 0.198 0.000 0.795 364 L CB 0.487 42.734 42.059 0.313 0.000 0.960 364 L HN -0.208 nan 8.230 nan 0.000 0.458 365 V N 0.788 120.787 119.914 0.142 0.000 2.419 365 V HA 0.333 4.495 4.120 0.069 0.000 0.287 365 V C -2.453 173.682 176.094 0.068 0.000 1.017 365 V CA -1.401 60.968 62.300 0.116 0.000 0.844 365 V CB 1.515 33.394 31.823 0.093 0.000 1.011 365 V HN -0.057 nan 8.190 nan 0.000 0.429 366 P HA 0.208 nan 4.420 nan 0.000 0.274 366 P C -0.362 176.935 177.300 -0.005 0.000 1.231 366 P CA -0.157 62.961 63.100 0.029 0.000 0.790 366 P CB 0.795 32.517 31.700 0.037 0.000 0.951 367 V N 3.437 123.315 119.914 -0.060 0.000 2.455 367 V HA 0.067 4.229 4.120 0.069 0.000 0.273 367 V C 0.527 176.608 176.094 -0.022 0.000 1.045 367 V CA 0.153 62.383 62.300 -0.117 0.000 0.976 367 V CB -0.006 31.664 31.823 -0.255 0.000 0.993 367 V HN 0.470 nan 8.190 nan 0.000 0.475 368 Q N 5.029 124.837 119.800 0.014 0.000 2.278 368 Q HA 0.368 4.749 4.340 0.069 0.000 0.257 368 Q C 0.213 176.210 176.000 -0.006 0.000 0.928 368 Q CA -0.595 55.220 55.803 0.021 0.000 0.932 368 Q CB 1.437 30.201 28.738 0.043 0.000 1.221 368 Q HN 0.753 nan 8.270 nan 0.000 0.434 369 R N 1.125 121.645 120.500 0.034 0.000 2.537 369 R HA 0.095 4.476 4.340 0.069 0.000 0.280 369 R C -0.390 175.945 176.300 0.058 0.000 1.058 369 R CA -0.087 56.076 56.100 0.105 0.000 1.057 369 R CB 0.413 30.838 30.300 0.210 0.000 0.973 369 R HN 0.413 nan 8.270 nan 0.000 0.438 370 V N 1.681 121.554 119.914 -0.069 0.000 3.090 370 V HA 0.335 4.497 4.120 0.069 0.000 0.237 370 V C 0.848 176.712 176.094 -0.384 0.000 1.209 370 V CA 1.082 63.217 62.300 -0.274 0.000 1.209 370 V CB 0.767 32.143 31.823 -0.745 0.000 0.971 370 V HN 1.071 nan 8.190 nan 0.000 0.477 371 G N -0.312 108.147 108.800 -0.568 0.000 2.430 371 G HA2 0.491 4.493 3.960 0.069 0.000 0.300 371 G HA3 0.491 4.493 3.960 0.069 0.000 0.300 371 G C -1.869 172.646 174.900 -0.641 0.000 1.330 371 G CA -0.528 43.878 45.100 -1.157 0.000 0.813 371 G HN 0.066 nan 8.290 nan 0.000 0.487 372 K N -0.446 119.578 120.400 -0.627 0.000 2.316 372 K HA 0.743 5.105 4.320 0.069 0.000 0.251 372 K C -0.826 175.781 176.600 0.012 0.000 0.934 372 K CA -0.797 55.445 56.287 -0.075 0.000 0.802 372 K CB 2.078 34.578 32.500 0.001 0.000 1.171 372 K HN 0.594 nan 8.250 nan 0.000 0.426 373 M N 4.401 124.159 119.600 0.264 0.000 2.383 373 M HA 0.433 4.954 4.480 0.069 0.000 0.325 373 M C -1.754 174.523 176.300 -0.038 0.000 1.092 373 M CA -0.757 54.634 55.300 0.152 0.000 0.961 373 M CB 1.756 34.501 32.600 0.241 0.000 1.672 373 M HN 0.361 nan 8.290 nan 0.000 0.438 374 V N 5.980 125.708 119.914 -0.310 0.000 2.588 374 V HA 0.479 4.641 4.120 0.069 0.000 0.304 374 V C -0.689 175.284 176.094 -0.203 0.000 1.042 374 V CA -0.729 61.414 62.300 -0.261 0.000 0.877 374 V CB 1.975 33.514 31.823 -0.474 0.000 0.996 374 V HN 0.803 nan 8.190 nan 0.000 0.425 375 L N 5.326 126.508 121.223 -0.068 0.000 2.276 375 L HA 0.523 4.905 4.340 0.069 0.000 0.286 375 L C 0.216 176.990 176.870 -0.160 0.000 1.024 375 L CA -0.330 54.472 54.840 -0.064 0.000 0.826 375 L CB 1.295 43.368 42.059 0.025 0.000 1.211 375 L HN 0.888 nan 8.230 nan 0.000 0.422 376 N N 1.925 120.453 118.700 -0.286 0.000 2.240 376 N HA 0.147 4.928 4.740 0.069 0.000 0.240 376 N C -0.087 175.242 175.510 -0.301 0.000 1.277 376 N CA -0.418 52.213 53.050 -0.698 0.000 0.873 376 N CB 0.731 38.485 38.487 -1.221 0.000 1.222 376 N HN 0.375 nan 8.380 nan 0.000 0.507 377 R N 0.503 120.937 120.500 -0.110 0.000 2.535 377 R HA 0.331 4.713 4.340 0.069 0.000 0.274 377 R C -1.198 175.062 176.300 -0.067 0.000 1.090 377 R CA -0.438 55.619 56.100 -0.071 0.000 0.930 377 R CB 1.502 31.771 30.300 -0.052 0.000 1.223 377 R HN 0.113 nan 8.270 nan 0.000 0.441 378 N N 2.786 121.330 118.700 -0.260 0.000 2.424 378 N HA 0.344 5.126 4.740 0.069 0.000 0.257 378 N C -2.219 173.234 175.510 -0.095 0.000 1.250 378 N CA -1.261 51.495 53.050 -0.490 0.000 0.946 378 N CB 0.489 38.070 38.487 -1.510 0.000 1.175 378 N HN 0.243 nan 8.380 nan 0.000 0.477 379 P HA 0.129 nan 4.420 nan 0.000 0.273 379 P C 0.173 177.663 177.300 0.315 0.000 1.250 379 P CA -0.120 63.176 63.100 0.327 0.000 0.793 379 P CB 0.983 32.917 31.700 0.389 0.000 1.011 380 D N -0.948 119.610 120.400 0.264 0.000 2.201 380 D HA -0.025 4.656 4.640 0.069 0.000 0.209 380 D C 0.417 176.898 176.300 0.301 0.000 0.961 380 D CA 1.390 55.543 54.000 0.255 0.000 0.861 380 D CB 0.210 41.101 40.800 0.151 0.000 0.997 380 D HN 0.380 nan 8.370 nan 0.000 0.486 381 N N -0.257 118.610 118.700 0.278 0.000 2.399 381 N HA 0.010 4.792 4.740 0.069 0.000 0.284 381 N C -0.003 175.716 175.510 0.349 0.000 1.025 381 N CA -0.352 52.875 53.050 0.295 0.000 0.885 381 N CB 1.657 40.285 38.487 0.234 0.000 1.339 381 N HN -0.162 nan 8.380 nan 0.000 0.487 382 F N 4.303 124.404 119.950 0.252 0.000 2.102 382 F HA -0.132 4.435 4.527 0.067 0.000 0.298 382 F C 1.672 177.608 175.800 0.227 0.000 1.105 382 F CA 1.397 59.548 58.000 0.252 0.000 1.239 382 F CB -0.102 39.019 39.000 0.203 0.000 0.991 382 F HN 0.607 nan 8.300 nan 0.000 0.474 383 F N 0.854 121.046 119.950 0.403 0.000 2.075 383 F HA -0.128 4.449 4.527 0.083 0.000 0.297 383 F C 2.313 178.172 175.800 0.098 0.000 1.113 383 F CA 1.780 59.932 58.000 0.254 0.000 1.218 383 F CB -0.914 38.213 39.000 0.213 0.000 0.984 383 F HN -0.016 nan 8.300 nan 0.000 0.472 384 A N -0.428 122.537 122.820 0.242 0.000 1.930 384 A HA -0.142 4.220 4.320 0.069 0.000 0.217 384 A C 2.065 179.590 177.584 -0.098 0.000 1.175 384 A CA 1.962 54.049 52.037 0.083 0.000 0.627 384 A CB -0.612 18.484 19.000 0.161 0.000 0.815 384 A HN 0.597 nan 8.150 nan 0.000 0.443 385 E N -1.398 118.755 120.200 -0.079 0.000 2.175 385 E HA -0.053 4.338 4.350 0.069 0.000 0.195 385 E C 1.927 178.443 176.600 -0.140 0.000 0.934 385 E CA 0.393 56.686 56.400 -0.180 0.000 0.870 385 E CB -0.118 29.529 29.700 -0.088 0.000 0.838 385 E HN 0.546 nan 8.360 nan 0.000 0.474 386 N N 1.376 119.984 118.700 -0.154 0.000 2.176 386 N HA -0.160 4.621 4.740 0.069 0.000 0.187 386 N C 1.825 177.158 175.510 -0.294 0.000 1.043 386 N CA 1.364 54.260 53.050 -0.256 0.000 0.851 386 N CB 0.051 37.993 38.487 -0.909 0.000 1.018 386 N HN -0.070 nan 8.380 nan 0.000 0.436 387 E N 0.852 120.807 120.200 -0.407 0.000 2.085 387 E HA -0.113 4.279 4.350 0.069 0.000 0.194 387 E C 1.690 178.101 176.600 -0.315 0.000 0.994 387 E CA 1.515 57.746 56.400 -0.281 0.000 0.801 387 E CB -0.178 29.349 29.700 -0.287 0.000 0.743 387 E HN 0.493 nan 8.360 nan 0.000 0.453 388 Q N -0.390 119.161 119.800 -0.415 0.000 2.444 388 Q HA 0.227 4.609 4.340 0.069 0.000 0.206 388 Q C -0.043 175.841 176.000 -0.192 0.000 0.948 388 Q CA 0.227 55.839 55.803 -0.319 0.000 0.946 388 Q CB 0.434 28.969 28.738 -0.337 0.000 1.027 388 Q HN 0.211 nan 8.270 nan 0.000 0.513 389 A N 1.105 123.835 122.820 -0.151 0.000 2.477 389 A HA 0.480 4.842 4.320 0.069 0.000 0.246 389 A C -0.187 177.300 177.584 -0.162 0.000 1.078 389 A CA 0.066 51.995 52.037 -0.180 0.000 0.770 389 A CB 0.298 19.271 19.000 -0.045 0.000 1.011 389 A HN 0.264 nan 8.150 nan 0.000 0.494 390 A N 2.340 125.012 122.820 -0.247 0.000 2.304 390 A HA 0.717 5.078 4.320 0.069 0.000 0.314 390 A C -0.827 176.631 177.584 -0.211 0.000 1.187 390 A CA -0.391 51.566 52.037 -0.133 0.000 0.810 390 A CB 0.266 19.208 19.000 -0.095 0.000 1.183 390 A HN 0.652 nan 8.150 nan 0.000 0.487 391 F N 1.149 121.113 119.950 0.023 0.000 2.469 391 F HA 0.619 5.187 4.527 0.068 0.000 0.332 391 F C 0.249 176.022 175.800 -0.045 0.000 1.103 391 F CA -0.107 57.878 58.000 -0.026 0.000 0.979 391 F CB 2.117 41.048 39.000 -0.115 0.000 1.137 391 F HN 0.763 nan 8.300 nan 0.000 0.463 392 H N 3.724 122.652 119.070 -0.237 0.000 3.026 392 H HA 0.298 4.896 4.556 0.069 0.000 0.352 392 H C -2.429 172.500 175.328 -0.665 0.000 1.090 392 H CA -1.868 53.783 56.048 -0.663 0.000 1.268 392 H CB 2.878 32.174 29.762 -0.776 0.000 1.816 392 H HN 0.200 nan 8.280 nan 0.000 0.518 393 P HA -0.015 nan 4.420 nan 0.000 0.226 393 P C 1.131 178.283 177.300 -0.247 0.000 1.153 393 P CA 1.299 64.074 63.100 -0.542 0.000 0.777 393 P CB 0.146 31.572 31.700 -0.456 0.000 0.794 394 G N -0.768 107.711 108.800 -0.534 0.000 2.559 394 G HA2 -0.173 3.828 3.960 0.069 0.000 0.216 394 G HA3 -0.173 3.828 3.960 0.069 0.000 0.216 394 G C 0.496 175.613 174.900 0.361 0.000 1.126 394 G CA 0.069 45.234 45.100 0.108 0.000 0.778 394 G HN 0.451 nan 8.290 nan 0.000 0.543 395 H N 0.671 119.861 119.070 0.201 0.000 3.118 395 H HA 0.351 4.948 4.556 0.069 0.000 0.266 395 H C 0.519 175.950 175.328 0.173 0.000 1.465 395 H CA -0.773 55.357 56.048 0.135 0.000 1.460 395 H CB -0.080 29.722 29.762 0.066 0.000 1.661 395 H HN 0.377 nan 8.280 nan 0.000 0.516 396 I N -0.278 120.429 120.570 0.227 0.000 3.100 396 I HA 0.694 4.905 4.170 0.069 0.000 0.312 396 I C -0.197 175.906 176.117 -0.023 0.000 1.063 396 I CA -1.399 59.958 61.300 0.094 0.000 1.031 396 I CB 1.939 39.879 38.000 -0.101 0.000 1.243 396 I HN 0.122 nan 8.210 nan 0.000 0.483 397 V N -1.781 118.097 119.914 -0.059 0.000 3.102 397 V HA 0.682 4.844 4.120 0.069 0.000 0.312 397 V C -2.836 173.356 176.094 0.163 0.000 1.135 397 V CA -2.572 59.754 62.300 0.043 0.000 1.022 397 V CB 1.022 32.848 31.823 0.005 0.000 1.056 397 V HN 0.638 nan 8.190 nan 0.000 0.436 398 P HA 0.357 nan 4.420 nan 0.000 0.264 398 P C 0.905 178.206 177.300 0.001 0.000 1.183 398 P CA 2.033 65.207 63.100 0.123 0.000 0.763 398 P CB 0.659 32.409 31.700 0.083 0.000 0.807 399 G N 1.566 110.320 108.800 -0.077 0.000 2.218 399 G HA2 -0.162 3.840 3.960 0.069 0.000 0.216 399 G HA3 -0.162 3.840 3.960 0.069 0.000 0.216 399 G C -0.245 174.570 174.900 -0.143 0.000 0.994 399 G CA -0.405 44.629 45.100 -0.110 0.000 0.637 399 G HN 0.445 nan 8.290 nan 0.000 0.505 400 L N -0.026 121.122 121.223 -0.125 0.000 2.323 400 L HA 0.931 5.313 4.340 0.069 0.000 0.265 400 L C -0.455 176.351 176.870 -0.107 0.000 1.012 400 L CA -1.068 53.677 54.840 -0.158 0.000 0.820 400 L CB 2.094 43.988 42.059 -0.274 0.000 1.334 400 L HN 0.103 nan 8.230 nan 0.000 0.427 401 D N -0.607 119.711 120.400 -0.136 0.000 2.665 401 D HA 0.453 5.134 4.640 0.069 0.000 0.287 401 D C -1.321 174.906 176.300 -0.122 0.000 1.266 401 D CA -0.366 53.505 54.000 -0.214 0.000 0.830 401 D CB 1.823 42.579 40.800 -0.073 0.000 1.356 401 D HN 0.133 nan 8.370 nan 0.000 0.437 402 F N -0.165 119.918 119.950 0.222 0.000 2.364 402 F HA 0.512 5.080 4.527 0.069 0.000 0.316 402 F C 1.511 177.342 175.800 0.052 0.000 1.133 402 F CA -0.251 57.819 58.000 0.117 0.000 1.051 402 F CB 1.270 40.309 39.000 0.064 0.000 1.342 402 F HN 0.211 nan 8.300 nan 0.000 0.507 403 T N -3.128 111.533 114.554 0.177 0.000 2.773 403 T HA 0.309 4.701 4.350 0.069 0.000 0.278 403 T C -0.006 174.737 174.700 0.071 0.000 1.011 403 T CA -0.978 61.206 62.100 0.139 0.000 1.014 403 T CB 1.085 70.007 68.868 0.090 0.000 1.293 403 T HN 0.358 nan 8.240 nan 0.000 0.554 404 N N 1.314 120.061 118.700 0.078 0.000 2.362 404 N HA 0.074 4.855 4.740 0.069 0.000 0.204 404 N C -0.033 175.493 175.510 0.026 0.000 1.166 404 N CA 0.015 53.093 53.050 0.046 0.000 0.831 404 N CB -0.421 38.109 38.487 0.073 0.000 1.008 404 N HN 0.672 nan 8.380 nan 0.000 0.472 405 D N 2.052 122.449 120.400 -0.005 0.000 2.586 405 D HA -0.068 4.613 4.640 0.069 0.000 0.234 405 D C -1.535 174.763 176.300 -0.003 0.000 1.132 405 D CA -0.832 53.187 54.000 0.032 0.000 0.860 405 D CB 1.383 42.143 40.800 -0.067 0.000 1.159 405 D HN 0.143 nan 8.370 nan 0.000 0.490 406 P HA -0.019 nan 4.420 nan 0.000 0.251 406 P C 1.342 178.655 177.300 0.022 0.000 1.223 406 P CA -0.040 63.075 63.100 0.025 0.000 0.796 406 P CB 0.505 32.214 31.700 0.015 0.000 1.068 407 L N -0.156 121.097 121.223 0.048 0.000 2.145 407 L HA 0.072 4.453 4.340 0.069 0.000 0.201 407 L C 2.281 179.062 176.870 -0.148 0.000 1.075 407 L CA 1.120 55.983 54.840 0.038 0.000 0.773 407 L CB -1.438 40.727 42.059 0.177 0.000 0.936 407 L HN -0.194 nan 8.230 nan 0.000 0.451 408 L N -0.356 120.604 121.223 -0.438 0.000 2.042 408 L HA -0.238 4.144 4.340 0.069 0.000 0.210 408 L C 2.458 179.073 176.870 -0.425 0.000 1.076 408 L CA 1.829 56.204 54.840 -0.774 0.000 0.749 408 L CB -0.865 40.510 42.059 -1.140 0.000 0.893 408 L HN 0.382 nan 8.230 nan 0.000 0.432 409 Q N -0.255 119.371 119.800 -0.290 0.000 2.096 409 Q HA -0.156 4.225 4.340 0.069 0.000 0.204 409 Q C 2.119 178.034 176.000 -0.142 0.000 0.982 409 Q CA 1.768 57.442 55.803 -0.216 0.000 0.850 409 Q CB -0.786 27.879 28.738 -0.122 0.000 0.901 409 Q HN 0.707 nan 8.270 nan 0.000 0.422 410 G N 0.524 109.271 108.800 -0.089 0.000 2.421 410 G HA2 -0.216 3.785 3.960 0.069 0.000 0.217 410 G HA3 -0.216 3.785 3.960 0.069 0.000 0.217 410 G C 1.522 176.438 174.900 0.027 0.000 1.143 410 G CA 0.220 45.312 45.100 -0.012 0.000 0.784 410 G HN 0.253 nan 8.290 nan 0.000 0.541 411 R N -0.071 120.391 120.500 -0.064 0.000 2.105 411 R HA -0.002 4.380 4.340 0.069 0.000 0.239 411 R C 2.514 178.879 176.300 0.107 0.000 1.135 411 R CA 0.961 57.077 56.100 0.028 0.000 0.967 411 R CB -0.481 29.789 30.300 -0.050 0.000 0.861 411 R HN 0.345 nan 8.270 nan 0.000 0.442 412 L N -0.476 120.705 121.223 -0.069 0.000 2.127 412 L HA -0.213 4.169 4.340 0.069 0.000 0.211 412 L C 2.294 179.297 176.870 0.222 0.000 1.089 412 L CA 1.158 55.977 54.840 -0.034 0.000 0.757 412 L CB -0.495 41.399 42.059 -0.274 0.000 0.899 412 L HN 0.157 nan 8.230 nan 0.000 0.434 413 F N 0.306 120.287 119.950 0.052 0.000 2.146 413 F HA -0.206 4.363 4.527 0.070 0.000 0.298 413 F C 2.827 178.682 175.800 0.091 0.000 1.096 413 F CA 1.635 59.671 58.000 0.059 0.000 1.275 413 F CB -0.252 38.758 39.000 0.017 0.000 1.008 413 F HN -0.036 nan 8.300 nan 0.000 0.480 414 S N -0.798 114.945 115.700 0.073 0.000 2.368 414 S HA -0.212 4.299 4.470 0.069 0.000 0.224 414 S C 2.066 176.558 174.600 -0.180 0.000 1.029 414 S CA 1.378 59.499 58.200 -0.130 0.000 0.988 414 S CB -0.809 62.345 63.200 -0.076 0.000 0.838 414 S HN 0.537 nan 8.310 nan 0.000 0.462 415 Y N 1.430 121.748 120.300 0.029 0.000 2.421 415 Y HA -0.034 4.558 4.550 0.070 0.000 0.292 415 Y C 2.876 178.434 175.900 -0.569 0.000 1.136 415 Y CA 1.226 59.321 58.100 -0.008 0.000 1.255 415 Y CB -0.573 38.788 38.460 1.502 0.000 0.991 415 Y HN 0.278 nan 8.280 nan 0.000 0.552 416 T N -0.784 113.406 114.554 -0.606 0.000 2.809 416 T HA -0.157 4.234 4.350 0.069 0.000 0.260 416 T C 1.400 175.895 174.700 -0.342 0.000 1.039 416 T CA 1.470 63.306 62.100 -0.440 0.000 1.141 416 T CB -0.356 68.327 68.868 -0.309 0.000 0.869 416 T HN 0.324 nan 8.240 nan 0.000 0.437 417 D N 0.865 121.006 120.400 -0.433 0.000 2.104 417 D HA -0.125 4.557 4.640 0.069 0.000 0.194 417 D C 2.270 178.415 176.300 -0.260 0.000 0.994 417 D CA 1.568 55.337 54.000 -0.386 0.000 0.830 417 D CB -0.502 39.905 40.800 -0.655 0.000 0.959 417 D HN 0.222 nan 8.370 nan 0.000 0.452 418 T N -0.931 113.459 114.554 -0.273 0.000 2.849 418 T HA -0.145 4.246 4.350 0.069 0.000 0.270 418 T C 1.600 176.172 174.700 -0.213 0.000 1.066 418 T CA 1.179 63.159 62.100 -0.201 0.000 1.130 418 T CB -0.220 68.530 68.868 -0.197 0.000 0.864 418 T HN 0.152 nan 8.240 nan 0.000 0.481 419 Q N 0.557 120.157 119.800 -0.333 0.000 2.291 419 Q HA 0.020 4.402 4.340 0.069 0.000 0.205 419 Q C 2.199 178.074 176.000 -0.209 0.000 0.970 419 Q CA 0.616 56.167 55.803 -0.421 0.000 0.876 419 Q CB -0.388 27.700 28.738 -1.084 0.000 0.935 419 Q HN 0.516 nan 8.270 nan 0.000 0.455 420 I N 0.861 121.361 120.570 -0.118 0.000 2.286 420 I HA -0.194 4.017 4.170 0.069 0.000 0.248 420 I C 2.249 178.360 176.117 -0.010 0.000 1.115 420 I CA 1.618 62.911 61.300 -0.011 0.000 1.392 420 I CB -1.275 36.725 38.000 0.000 0.000 1.065 420 I HN 0.185 nan 8.210 nan 0.000 0.418 421 S N 0.189 115.869 115.700 -0.033 0.000 2.427 421 S HA -0.034 4.477 4.470 0.069 0.000 0.224 421 S C 2.152 176.740 174.600 -0.021 0.000 1.047 421 S CA 0.031 58.222 58.200 -0.015 0.000 0.953 421 S CB -0.275 62.920 63.200 -0.008 0.000 0.824 421 S HN 0.294 nan 8.310 nan 0.000 0.502 422 R N 0.939 121.408 120.500 -0.052 0.000 2.081 422 R HA 0.177 4.559 4.340 0.069 0.000 0.235 422 R C 1.382 177.661 176.300 -0.035 0.000 1.131 422 R CA 1.387 57.460 56.100 -0.045 0.000 0.960 422 R CB -0.225 30.027 30.300 -0.079 0.000 0.856 422 R HN 0.440 nan 8.270 nan 0.000 0.436 423 L N -0.840 120.352 121.223 -0.051 0.000 2.857 423 L HA 0.331 4.712 4.340 0.069 0.000 0.249 423 L C 0.789 177.676 176.870 0.028 0.000 1.172 423 L CA 0.315 55.145 54.840 -0.017 0.000 0.980 423 L CB 1.200 43.245 42.059 -0.023 0.000 1.299 423 L HN 0.601 nan 8.230 nan 0.000 0.535 424 G N -0.157 108.659 108.800 0.026 0.000 2.176 424 G HA2 -0.118 3.884 3.960 0.069 0.000 0.253 424 G HA3 -0.118 3.884 3.960 0.069 0.000 0.253 424 G C 0.438 175.375 174.900 0.062 0.000 0.979 424 G CA -0.069 45.053 45.100 0.037 0.000 0.641 424 G HN 0.768 nan 8.290 nan 0.000 0.530 425 G N -1.476 107.381 108.800 0.096 0.000 2.343 425 G HA2 0.596 4.597 3.960 0.069 0.000 0.289 425 G HA3 0.596 4.597 3.960 0.069 0.000 0.289 425 G C -2.243 172.784 174.900 0.211 0.000 1.295 425 G CA 0.425 45.597 45.100 0.121 0.000 0.869 425 G HN 0.465 nan 8.290 nan 0.000 0.522 426 P HA 0.127 nan 4.420 nan 0.000 0.249 426 P C 0.320 177.643 177.300 0.039 0.000 1.229 426 P CA 0.352 63.554 63.100 0.171 0.000 0.788 426 P CB 0.180 31.940 31.700 0.100 0.000 1.072 427 N N 0.434 119.154 118.700 0.034 0.000 2.327 427 N HA 0.054 4.835 4.740 0.069 0.000 0.231 427 N C 0.995 176.360 175.510 -0.243 0.000 1.130 427 N CA -0.112 52.856 53.050 -0.136 0.000 0.845 427 N CB -0.598 37.837 38.487 -0.088 0.000 1.073 427 N HN 0.287 nan 8.380 nan 0.000 0.496 428 F N 0.691 120.628 119.950 -0.023 0.000 2.451 428 F HA -0.026 4.542 4.527 0.068 0.000 0.299 428 F C 2.194 177.938 175.800 -0.094 0.000 1.101 428 F CA 0.605 58.565 58.000 -0.066 0.000 1.436 428 F CB -0.722 38.257 39.000 -0.034 0.000 1.074 428 F HN 0.158 nan 8.300 nan 0.000 0.553 429 H N 0.432 119.147 119.070 -0.592 0.000 2.524 429 H HA 0.070 4.668 4.556 0.070 0.000 0.282 429 H C 0.786 175.960 175.328 -0.257 0.000 1.016 429 H CA 1.300 57.099 56.048 -0.416 0.000 1.270 429 H CB -0.730 28.678 29.762 -0.590 0.000 1.394 429 H HN 0.515 nan 8.280 nan 0.000 0.568 430 E N 1.017 120.806 120.200 -0.685 0.000 2.489 430 E HA 0.177 4.569 4.350 0.069 0.000 0.193 430 E C 0.301 176.795 176.600 -0.176 0.000 1.057 430 E CA -0.278 55.895 56.400 -0.378 0.000 0.866 430 E CB 0.466 29.951 29.700 -0.358 0.000 0.916 430 E HN 0.433 nan 8.360 nan 0.000 0.500 431 I N 2.513 122.996 120.570 -0.144 0.000 2.618 431 I HA -0.045 4.167 4.170 0.069 0.000 0.284 431 I C -1.511 174.547 176.117 -0.097 0.000 1.146 431 I CA -1.515 59.729 61.300 -0.094 0.000 1.425 431 I CB 0.673 38.628 38.000 -0.075 0.000 1.383 431 I HN -0.195 nan 8.210 nan 0.000 0.562 432 P HA -0.226 nan 4.420 nan 0.000 0.215 432 P C 1.742 178.966 177.300 -0.126 0.000 1.157 432 P CA 1.225 64.271 63.100 -0.091 0.000 0.874 432 P CB 0.167 31.822 31.700 -0.075 0.000 0.790 433 I N -0.513 119.954 120.570 -0.171 0.000 2.335 433 I HA -0.212 3.999 4.170 0.069 0.000 0.251 433 I C 1.340 177.371 176.117 -0.143 0.000 1.129 433 I CA 1.721 62.869 61.300 -0.252 0.000 1.402 433 I CB -0.642 37.103 38.000 -0.425 0.000 1.069 433 I HN -0.107 nan 8.210 nan 0.000 0.424 434 N N 0.654 119.285 118.700 -0.115 0.000 2.463 434 N HA 0.022 4.803 4.740 0.069 0.000 0.181 434 N C 0.323 175.808 175.510 -0.043 0.000 1.078 434 N CA 0.248 53.255 53.050 -0.072 0.000 0.902 434 N CB -0.147 38.317 38.487 -0.038 0.000 0.970 434 N HN 0.381 nan 8.380 nan 0.000 0.451 435 R N 1.573 122.041 120.500 -0.053 0.000 2.537 435 R HA 0.161 4.542 4.340 0.069 0.000 0.280 435 R C -2.218 174.072 176.300 -0.016 0.000 1.058 435 R CA -1.237 54.805 56.100 -0.097 0.000 1.057 435 R CB 0.001 30.276 30.300 -0.042 0.000 0.973 435 R HN 0.023 nan 8.270 nan 0.000 0.438 436 P HA -0.027 nan 4.420 nan 0.000 0.269 436 P C 0.552 177.924 177.300 0.120 0.000 1.215 436 P CA 0.071 63.185 63.100 0.023 0.000 0.780 436 P CB 0.664 32.297 31.700 -0.112 0.000 0.898 437 T N -2.771 111.871 114.554 0.147 0.000 3.065 437 T HA 0.057 4.449 4.350 0.069 0.000 0.252 437 T C 0.864 175.634 174.700 0.117 0.000 1.099 437 T CA -0.001 62.155 62.100 0.093 0.000 1.063 437 T CB -1.045 67.850 68.868 0.045 0.000 0.948 437 T HN 0.570 nan 8.240 nan 0.000 0.506 438 C N 1.005 120.392 119.300 0.146 0.000 2.347 438 C HA 0.762 5.264 4.460 0.069 0.000 0.366 438 C C -2.542 172.561 174.990 0.189 0.000 1.241 438 C CA -2.613 56.489 59.018 0.140 0.000 2.360 438 C CB 0.232 28.048 27.740 0.127 0.000 2.290 438 C HN 0.145 nan 8.230 nan 0.000 0.587 439 P HA 0.333 nan 4.420 nan 0.000 0.269 439 P C -1.261 176.151 177.300 0.186 0.000 1.209 439 P CA 0.408 63.589 63.100 0.136 0.000 0.776 439 P CB -0.007 31.809 31.700 0.194 0.000 0.876 440 Y N -0.759 119.442 120.300 -0.167 0.000 2.396 440 Y HA 0.720 5.311 4.550 0.069 0.000 0.332 440 Y C -1.001 174.575 175.900 -0.540 0.000 1.034 440 Y CA -1.164 56.817 58.100 -0.199 0.000 1.057 440 Y CB 0.990 39.349 38.460 -0.169 0.000 1.220 440 Y HN 0.380 nan 8.280 nan 0.000 0.440 441 H N 2.457 121.503 119.070 -0.039 0.000 2.947 441 H HA 0.621 5.219 4.556 0.070 0.000 0.354 441 H C -1.073 174.152 175.328 -0.172 0.000 1.085 441 H CA -0.927 55.037 56.048 -0.141 0.000 1.253 441 H CB 1.761 31.428 29.762 -0.159 0.000 1.757 441 H HN 0.871 nan 8.280 nan 0.000 0.523 442 N N 0.345 118.938 118.700 -0.178 0.000 3.449 442 N HA 0.207 4.989 4.740 0.069 0.000 0.312 442 N C -1.096 174.146 175.510 -0.447 0.000 1.582 442 N CA -0.928 51.941 53.050 -0.300 0.000 0.850 442 N CB 0.699 39.140 38.487 -0.076 0.000 1.822 442 N HN 0.295 nan 8.380 nan 0.000 0.577 443 F N -0.343 119.636 119.950 0.048 0.000 2.664 443 F HA 0.347 4.916 4.527 0.069 0.000 0.303 443 F C 0.444 176.273 175.800 0.049 0.000 1.092 443 F CA -0.350 57.677 58.000 0.045 0.000 1.305 443 F CB 0.207 39.232 39.000 0.042 0.000 1.054 443 F HN 0.133 nan 8.300 nan 0.000 0.565 444 Q N 1.658 121.541 119.800 0.140 0.000 2.352 444 Q HA 0.392 4.774 4.340 0.069 0.000 0.260 444 Q C 0.001 176.055 176.000 0.090 0.000 0.976 444 Q CA 0.051 55.916 55.803 0.102 0.000 0.881 444 Q CB 0.955 29.722 28.738 0.048 0.000 1.235 444 Q HN 0.085 nan 8.270 nan 0.000 0.419 445 R N 1.717 122.270 120.500 0.088 0.000 2.739 445 R HA 0.346 4.727 4.340 0.069 0.000 0.271 445 R C -0.803 175.535 176.300 0.064 0.000 1.010 445 R CA -0.626 55.520 56.100 0.077 0.000 0.897 445 R CB 1.406 31.758 30.300 0.087 0.000 1.236 445 R HN 0.727 nan 8.270 nan 0.000 0.466 446 D N -0.198 120.233 120.400 0.051 0.000 3.563 446 D HA -0.139 4.543 4.640 0.069 0.000 0.237 446 D C 0.287 176.614 176.300 0.045 0.000 1.680 446 D CA 1.886 55.911 54.000 0.041 0.000 1.151 446 D CB -1.048 39.777 40.800 0.042 0.000 0.751 446 D HN 0.911 nan 8.370 nan 0.000 0.930 447 G N -1.311 107.516 108.800 0.044 0.000 2.733 447 G HA2 0.172 4.173 3.960 0.069 0.000 0.686 447 G HA3 0.172 4.173 3.960 0.069 0.000 0.686 447 G C -0.236 174.695 174.900 0.052 0.000 1.373 447 G CA 0.054 45.184 45.100 0.051 0.000 0.838 447 G HN 0.791 nan 8.290 nan 0.000 0.588 448 M N 1.265 120.902 119.600 0.063 0.000 2.251 448 M HA 0.422 4.944 4.480 0.069 0.000 0.343 448 M C 1.108 177.485 176.300 0.129 0.000 1.245 448 M CA 1.281 56.629 55.300 0.079 0.000 1.061 448 M CB -0.641 32.007 32.600 0.080 0.000 1.723 448 M HN 1.636 nan 8.290 nan 0.000 0.449 449 H N 1.160 120.233 119.070 0.004 0.000 2.604 449 H HA -0.198 4.398 4.556 0.067 0.000 0.321 449 H C -0.653 174.664 175.328 -0.018 0.000 1.132 449 H CA 0.679 56.725 56.048 -0.003 0.000 1.129 449 H CB -0.603 29.161 29.762 0.002 0.000 1.526 449 H HN 0.645 nan 8.280 nan 0.000 0.415 450 R N 1.647 122.156 120.500 0.014 0.000 2.421 450 R HA 0.036 4.418 4.340 0.069 0.000 0.305 450 R C 0.941 177.213 176.300 -0.047 0.000 1.039 450 R CA 0.190 56.288 56.100 -0.005 0.000 1.003 450 R CB 0.269 30.566 30.300 -0.006 0.000 0.959 450 R HN 0.448 nan 8.270 nan 0.000 0.427 451 M N 2.632 122.220 119.600 -0.020 0.000 2.412 451 M HA 0.220 4.741 4.480 0.069 0.000 0.263 451 M C 0.981 177.263 176.300 -0.030 0.000 1.122 451 M CA 1.006 56.290 55.300 -0.027 0.000 1.179 451 M CB -0.876 31.726 32.600 0.003 0.000 1.335 451 M HN 0.692 nan 8.290 nan 0.000 0.465 452 G N 1.909 110.695 108.800 -0.023 0.000 2.365 452 G HA2 0.395 4.396 3.960 0.069 0.000 0.249 452 G HA3 0.395 4.396 3.960 0.069 0.000 0.249 452 G C -0.412 174.474 174.900 -0.023 0.000 1.288 452 G CA -0.355 44.730 45.100 -0.026 0.000 0.887 452 G HN 0.308 nan 8.290 nan 0.000 0.524 453 I N 2.701 123.254 120.570 -0.028 0.000 2.330 453 I HA 0.113 4.325 4.170 0.069 0.000 0.286 453 I C -0.335 175.772 176.117 -0.017 0.000 1.025 453 I CA -0.548 60.740 61.300 -0.019 0.000 1.197 453 I CB 1.144 39.132 38.000 -0.021 0.000 1.358 453 I HN 0.359 nan 8.210 nan 0.000 0.467 454 D N 4.865 125.262 120.400 -0.005 0.000 2.348 454 D HA 0.077 4.759 4.640 0.069 0.000 0.253 454 D C 1.161 177.467 176.300 0.009 0.000 1.161 454 D CA 0.212 54.212 54.000 0.001 0.000 0.876 454 D CB 1.865 42.674 40.800 0.015 0.000 1.160 454 D HN 0.571 nan 8.370 nan 0.000 0.459 455 T N -0.674 113.883 114.554 0.004 0.000 3.060 455 T HA -0.056 4.336 4.350 0.069 0.000 0.249 455 T C 0.857 175.569 174.700 0.020 0.000 1.079 455 T CA -0.518 61.587 62.100 0.008 0.000 1.013 455 T CB 0.177 69.042 68.868 -0.005 0.000 0.975 455 T HN 0.117 nan 8.240 nan 0.000 0.518 456 N N 3.356 122.073 118.700 0.027 0.000 2.411 456 N HA 0.082 4.864 4.740 0.069 0.000 0.261 456 N C -1.637 173.915 175.510 0.070 0.000 1.248 456 N CA -1.472 51.608 53.050 0.049 0.000 0.885 456 N CB 1.440 39.964 38.487 0.062 0.000 1.062 456 N HN 0.065 nan 8.380 nan 0.000 0.471 457 P HA -0.037 nan 4.420 nan 0.000 0.219 457 P C -0.516 176.841 177.300 0.095 0.000 1.146 457 P CA 1.003 64.148 63.100 0.074 0.000 0.808 457 P CB 0.206 31.945 31.700 0.065 0.000 0.779 458 A N 0.524 123.388 122.820 0.073 0.000 2.312 458 A HA 0.441 4.802 4.320 0.069 0.000 0.328 458 A C 0.384 178.056 177.584 0.147 0.000 1.158 458 A CA -0.669 51.361 52.037 -0.011 0.000 0.821 458 A CB 0.141 18.949 19.000 -0.320 0.000 1.170 458 A HN 0.268 nan 8.150 nan 0.000 0.490 459 N N -0.060 118.757 118.700 0.194 0.000 2.416 459 N HA 0.389 5.171 4.740 0.069 0.000 0.267 459 N C -0.912 174.749 175.510 0.251 0.000 1.294 459 N CA -0.385 52.867 53.050 0.337 0.000 0.891 459 N CB 0.302 38.947 38.487 0.263 0.000 1.238 459 N HN 0.683 nan 8.380 nan 0.000 0.508 460 Y N -1.244 118.918 120.300 -0.230 0.000 2.638 460 Y HA 0.688 5.279 4.550 0.069 0.000 0.335 460 Y C -1.424 173.839 175.900 -1.061 0.000 1.155 460 Y CA -1.391 56.397 58.100 -0.520 0.000 1.046 460 Y CB 0.970 39.293 38.460 -0.229 0.000 1.303 460 Y HN 0.084 nan 8.280 nan 0.000 0.460 461 E N 0.479 120.200 120.200 -0.798 0.000 2.383 461 E HA 0.633 5.024 4.350 0.069 0.000 0.275 461 E C -3.177 173.324 176.600 -0.166 0.000 0.918 461 E CA -2.040 54.006 56.400 -0.590 0.000 0.764 461 E CB 1.654 30.950 29.700 -0.673 0.000 1.252 461 E HN 0.587 nan 8.360 nan 0.000 0.449 462 P HA 0.266 nan 4.420 nan 0.000 0.275 462 P C -1.251 176.009 177.300 -0.066 0.000 1.228 462 P CA -0.391 62.647 63.100 -0.104 0.000 0.786 462 P CB 0.534 32.205 31.700 -0.049 0.000 0.927 463 N N -1.167 117.419 118.700 -0.190 0.000 2.321 463 N HA 0.371 5.153 4.740 0.069 0.000 0.290 463 N C 0.305 175.773 175.510 -0.070 0.000 1.212 463 N CA -0.753 52.202 53.050 -0.159 0.000 0.767 463 N CB 1.374 39.482 38.487 -0.631 0.000 1.494 463 N HN 0.213 nan 8.380 nan 0.000 0.479 464 S N -0.082 115.621 115.700 0.004 0.000 2.506 464 S HA 0.030 4.542 4.470 0.069 0.000 0.219 464 S C 1.453 176.067 174.600 0.023 0.000 1.031 464 S CA -0.072 58.133 58.200 0.008 0.000 0.911 464 S CB -0.752 62.463 63.200 0.026 0.000 0.812 464 S HN 0.700 nan 8.310 nan 0.000 0.497 465 I N -1.021 119.569 120.570 0.033 0.000 3.111 465 I HA 0.324 4.536 4.170 0.069 0.000 0.272 465 I C 1.216 177.364 176.117 0.052 0.000 1.268 465 I CA 0.888 62.220 61.300 0.053 0.000 1.467 465 I CB -0.326 37.723 38.000 0.083 0.000 1.087 465 I HN 0.152 nan 8.210 nan 0.000 0.467 466 N N 1.251 119.979 118.700 0.047 0.000 2.291 466 N HA 0.037 4.819 4.740 0.069 0.000 0.244 466 N C 0.023 175.644 175.510 0.186 0.000 1.216 466 N CA -0.017 53.103 53.050 0.116 0.000 0.879 466 N CB 0.002 38.571 38.487 0.137 0.000 1.167 466 N HN 0.196 nan 8.380 nan 0.000 0.515 467 D N 0.624 121.081 120.400 0.096 0.000 2.811 467 D HA -0.268 4.414 4.640 0.069 0.000 0.231 467 D C -0.172 176.023 176.300 -0.175 0.000 1.157 467 D CA 1.212 55.232 54.000 0.033 0.000 0.716 467 D CB -1.328 39.575 40.800 0.171 0.000 1.077 467 D HN 0.496 nan 8.370 nan 0.000 0.428 468 N N -1.810 116.820 118.700 -0.116 0.000 2.829 468 N HA -0.235 4.547 4.740 0.069 0.000 0.250 468 N C -0.950 174.460 175.510 -0.167 0.000 1.090 468 N CA 1.348 54.291 53.050 -0.178 0.000 0.781 468 N CB -1.351 36.990 38.487 -0.243 0.000 1.124 468 N HN 0.520 nan 8.380 nan 0.000 0.559 469 W N 0.948 122.300 121.300 0.087 0.000 2.381 469 W HA 0.487 5.188 4.660 0.069 0.000 0.329 469 W C -1.707 174.870 176.519 0.096 0.000 1.157 469 W CA -1.615 55.769 57.345 0.065 0.000 1.240 469 W CB 0.780 30.230 29.460 -0.017 0.000 1.199 469 W HN -0.039 nan 8.180 nan 0.000 0.579 470 P HA 0.249 nan 4.420 nan 0.000 0.277 470 P C -0.739 176.702 177.300 0.236 0.000 1.240 470 P CA -0.257 63.005 63.100 0.270 0.000 0.798 470 P CB 1.094 32.798 31.700 0.006 0.000 0.979 471 R N 0.958 121.576 120.500 0.197 0.000 2.664 471 R HA 0.326 4.707 4.340 0.069 0.000 0.286 471 R C 0.281 176.611 176.300 0.051 0.000 0.967 471 R CA -0.826 55.258 56.100 -0.026 0.000 0.933 471 R CB 1.286 31.350 30.300 -0.394 0.000 1.146 471 R HN 0.487 nan 8.270 nan 0.000 0.468 472 E N 0.740 120.959 120.200 0.032 0.000 2.436 472 E HA 0.010 4.402 4.350 0.069 0.000 0.262 472 E C -0.522 176.099 176.600 0.035 0.000 1.063 472 E CA 0.724 57.153 56.400 0.049 0.000 0.944 472 E CB 0.611 30.331 29.700 0.033 0.000 0.950 472 E HN 0.347 nan 8.360 nan 0.000 0.444 473 T N 3.483 118.069 114.554 0.054 0.000 2.841 473 T HA 0.328 4.720 4.350 0.069 0.000 0.285 473 T C -2.428 172.295 174.700 0.039 0.000 0.991 473 T CA -1.516 60.613 62.100 0.049 0.000 0.966 473 T CB 1.502 70.411 68.868 0.069 0.000 0.962 473 T HN 0.234 nan 8.240 nan 0.000 0.438 474 P HA 0.219 nan 4.420 nan 0.000 0.268 474 P C -2.462 174.844 177.300 0.010 0.000 1.208 474 P CA -1.085 62.022 63.100 0.012 0.000 0.777 474 P CB -0.292 31.410 31.700 0.004 0.000 0.875 475 P HA 0.322 nan 4.420 nan 0.000 0.272 475 P C -0.015 177.274 177.300 -0.019 0.000 1.223 475 P CA 0.289 63.374 63.100 -0.024 0.000 0.784 475 P CB 0.678 32.342 31.700 -0.060 0.000 0.923 476 G N 0.659 109.446 108.800 -0.021 0.000 2.488 476 G HA2 0.395 4.397 3.960 0.069 0.000 0.301 476 G HA3 0.395 4.397 3.960 0.069 0.000 0.301 476 G C -2.580 172.310 174.900 -0.017 0.000 1.339 476 G CA -0.743 44.347 45.100 -0.015 0.000 0.803 476 G HN 0.098 nan 8.290 nan 0.000 0.482 477 P HA 0.101 nan 4.420 nan 0.000 0.218 477 P C 0.059 177.355 177.300 -0.007 0.000 1.149 477 P CA 1.145 64.236 63.100 -0.015 0.000 0.817 477 P CB 0.204 31.898 31.700 -0.010 0.000 0.785 478 K N -0.924 119.479 120.400 0.004 0.000 2.498 478 K HA 0.366 4.728 4.320 0.069 0.000 0.254 478 K C -0.183 176.433 176.600 0.027 0.000 0.933 478 K CA -0.895 55.401 56.287 0.016 0.000 0.806 478 K CB 2.306 34.817 32.500 0.019 0.000 1.301 478 K HN -0.317 nan 8.250 nan 0.000 0.432 479 R N -0.512 120.011 120.500 0.039 0.000 3.758 479 R HA -0.139 4.243 4.340 0.069 0.000 0.299 479 R C 0.111 176.441 176.300 0.050 0.000 1.182 479 R CA 1.041 57.172 56.100 0.050 0.000 0.809 479 R CB -2.242 28.087 30.300 0.049 0.000 1.249 479 R HN 1.021 nan 8.270 nan 0.000 0.497 480 G N -0.853 107.971 108.800 0.041 0.000 2.511 480 G HA2 0.619 4.620 3.960 0.069 0.000 0.316 480 G HA3 0.619 4.620 3.960 0.069 0.000 0.316 480 G C 0.302 175.236 174.900 0.057 0.000 1.210 480 G CA 0.063 45.185 45.100 0.037 0.000 0.969 480 G HN 0.245 nan 8.290 nan 0.000 0.492 481 G N -1.267 107.567 108.800 0.057 0.000 2.527 481 G HA2 0.397 4.398 3.960 0.069 0.000 0.248 481 G HA3 0.397 4.398 3.960 0.069 0.000 0.248 481 G C -0.589 174.367 174.900 0.093 0.000 1.231 481 G CA -0.497 44.659 45.100 0.093 0.000 0.838 481 G HN 0.445 nan 8.290 nan 0.000 0.570 482 F N 0.588 120.552 119.950 0.025 0.000 2.495 482 F HA 0.364 4.933 4.527 0.070 0.000 0.365 482 F C 0.579 176.394 175.800 0.025 0.000 1.090 482 F CA -0.075 57.935 58.000 0.018 0.000 1.235 482 F CB 0.843 39.857 39.000 0.024 0.000 1.119 482 F HN 0.461 nan 8.300 nan 0.000 0.562 483 E N 3.823 123.634 120.200 -0.649 0.000 2.272 483 E HA 0.325 4.717 4.350 0.069 0.000 0.269 483 E C -1.166 175.065 176.600 -0.614 0.000 0.877 483 E CA -0.810 55.379 56.400 -0.352 0.000 0.755 483 E CB 1.618 31.198 29.700 -0.201 0.000 1.192 483 E HN 0.613 nan 8.360 nan 0.000 0.422 484 S N 2.395 117.988 115.700 -0.178 0.000 2.564 484 S HA 0.029 4.540 4.470 0.069 0.000 0.278 484 S C -0.636 173.949 174.600 -0.025 0.000 1.333 484 S CA -0.352 57.832 58.200 -0.027 0.000 1.048 484 S CB 0.161 63.470 63.200 0.182 0.000 0.900 484 S HN 0.458 nan 8.310 nan 0.000 0.505 485 Y N 2.600 122.835 120.300 -0.108 0.000 2.620 485 Y HA 0.003 4.595 4.550 0.069 0.000 0.330 485 Y C 0.879 176.758 175.900 -0.036 0.000 1.186 485 Y CA 0.069 58.115 58.100 -0.090 0.000 1.467 485 Y CB 0.211 38.617 38.460 -0.090 0.000 1.262 485 Y HN 0.587 nan 8.280 nan 0.000 0.550 486 Q N 5.201 124.624 119.800 -0.629 0.000 3.223 486 Q HA 0.000 4.382 4.340 0.069 0.000 0.299 486 Q C -0.178 175.527 176.000 -0.492 0.000 1.385 486 Q CA -0.003 55.542 55.803 -0.429 0.000 0.942 486 Q CB -0.253 28.295 28.738 -0.316 0.000 1.748 486 Q HN 0.651 nan 8.270 nan 0.000 0.523 487 E N 1.599 121.594 120.200 -0.342 0.000 2.413 487 E HA -0.025 4.366 4.350 0.069 0.000 0.263 487 E C -0.053 176.521 176.600 -0.043 0.000 1.015 487 E CA -0.420 55.919 56.400 -0.101 0.000 0.916 487 E CB 0.635 30.418 29.700 0.137 0.000 0.947 487 E HN 0.193 nan 8.360 nan 0.000 0.440 488 R N 2.797 123.295 120.500 -0.003 0.000 2.438 488 R HA 0.221 4.603 4.340 0.069 0.000 0.287 488 R C -1.544 174.782 176.300 0.044 0.000 1.077 488 R CA -0.244 55.863 56.100 0.012 0.000 1.034 488 R CB 0.895 31.210 30.300 0.025 0.000 0.993 488 R HN 0.253 nan 8.270 nan 0.000 0.459 489 V N 4.490 124.422 119.914 0.030 0.000 2.540 489 V HA 0.468 4.629 4.120 0.069 0.000 0.302 489 V C -0.624 175.485 176.094 0.025 0.000 1.035 489 V CA -0.623 61.699 62.300 0.036 0.000 0.873 489 V CB 1.492 33.333 31.823 0.030 0.000 0.992 489 V HN 0.921 nan 8.190 nan 0.000 0.428 490 E N 2.762 122.978 120.200 0.026 0.000 2.307 490 E HA 0.658 5.050 4.350 0.069 0.000 0.280 490 E C -0.520 176.086 176.600 0.011 0.000 0.900 490 E CA -0.133 56.276 56.400 0.015 0.000 0.790 490 E CB 2.049 31.758 29.700 0.015 0.000 1.261 490 E HN 1.016 nan 8.360 nan 0.000 0.405 491 G N 2.675 111.477 108.800 0.002 0.000 2.320 491 G HA2 0.094 4.096 3.960 0.069 0.000 0.297 491 G HA3 0.094 4.096 3.960 0.069 0.000 0.297 491 G C -1.475 173.419 174.900 -0.009 0.000 1.344 491 G CA -0.955 44.142 45.100 -0.004 0.000 0.851 491 G HN 0.419 nan 8.290 nan 0.000 0.567 492 N N 0.025 118.716 118.700 -0.014 0.000 2.458 492 N HA 0.382 5.163 4.740 0.069 0.000 0.271 492 N C -0.179 175.319 175.510 -0.020 0.000 1.210 492 N CA -0.287 52.754 53.050 -0.016 0.000 0.978 492 N CB 0.904 39.380 38.487 -0.018 0.000 1.206 492 N HN 0.472 nan 8.380 nan 0.000 0.536 493 K N 0.842 121.230 120.400 -0.021 0.000 2.338 493 K HA 0.249 4.611 4.320 0.069 0.000 0.290 493 K C -0.437 176.143 176.600 -0.034 0.000 1.069 493 K CA -0.287 55.984 56.287 -0.026 0.000 0.941 493 K CB 0.105 32.591 32.500 -0.024 0.000 1.023 493 K HN 0.342 nan 8.250 nan 0.000 0.477 494 V N 0.263 120.151 119.914 -0.042 0.000 2.876 494 V HA 0.488 4.650 4.120 0.069 0.000 0.312 494 V C -0.506 175.548 176.094 -0.066 0.000 1.085 494 V CA -1.344 60.925 62.300 -0.050 0.000 0.945 494 V CB 2.012 33.806 31.823 -0.049 0.000 1.017 494 V HN 0.643 nan 8.190 nan 0.000 0.428 495 R N 2.224 122.681 120.500 -0.072 0.000 2.522 495 R HA 0.594 4.976 4.340 0.069 0.000 0.290 495 R C -0.495 175.755 176.300 -0.083 0.000 1.216 495 R CA -0.114 55.930 56.100 -0.093 0.000 1.250 495 R CB 0.719 30.951 30.300 -0.114 0.000 1.143 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 1.742 121.889 120.200 -0.088 0.000 2.321 496 E HA 0.248 4.640 4.350 0.069 0.000 0.278 496 E C -1.293 175.236 176.600 -0.117 0.000 0.902 496 E CA -1.003 55.347 56.400 -0.082 0.000 0.758 496 E CB 1.675 31.332 29.700 -0.071 0.000 1.213 496 E HN 0.116 nan 8.360 nan 0.000 0.426 497 R N 1.573 122.006 120.500 -0.112 0.000 2.441 497 R HA 0.259 4.640 4.340 0.069 0.000 0.284 497 R C -0.580 175.594 176.300 -0.209 0.000 1.070 497 R CA -0.013 55.977 56.100 -0.183 0.000 1.047 497 R CB 1.329 31.581 30.300 -0.080 0.000 1.016 497 R HN 0.388 nan 8.270 nan 0.000 0.477 498 S N 4.486 119.949 115.700 -0.395 0.000 2.533 498 S HA 0.131 4.643 4.470 0.069 0.000 0.282 498 S C -1.584 172.972 174.600 -0.073 0.000 1.304 498 S CA -1.208 56.842 58.200 -0.250 0.000 1.063 498 S CB 0.706 63.696 63.200 -0.350 0.000 0.881 498 S HN 0.539 nan 8.310 nan 0.000 0.493 499 P HA -0.100 nan 4.420 nan 0.000 0.219 499 P C 1.486 178.834 177.300 0.080 0.000 1.146 499 P CA 1.172 64.288 63.100 0.027 0.000 0.808 499 P CB -0.075 31.631 31.700 0.011 0.000 0.779 500 S N -2.096 113.694 115.700 0.150 0.000 2.474 500 S HA -0.102 4.410 4.470 0.069 0.000 0.235 500 S C 1.402 176.185 174.600 0.305 0.000 0.997 500 S CA 0.809 59.136 58.200 0.212 0.000 0.949 500 S CB -1.320 62.041 63.200 0.268 0.000 0.766 500 S HN -0.020 nan 8.310 nan 0.000 0.517 501 F N 2.224 122.163 119.950 -0.018 0.000 2.797 501 F HA 0.393 4.962 4.527 0.069 0.000 0.302 501 F C 1.905 177.631 175.800 -0.124 0.000 1.130 501 F CA -0.927 57.056 58.000 -0.028 0.000 1.387 501 F CB -0.648 38.369 39.000 0.028 0.000 1.107 501 F HN 0.349 nan 8.300 nan 0.000 0.577 502 G N 0.591 109.388 108.800 -0.006 0.000 3.581 502 G HA2 0.129 4.131 3.960 0.069 0.000 0.255 502 G HA3 0.129 4.131 3.960 0.069 0.000 0.255 502 G C -0.106 174.360 174.900 -0.724 0.000 1.121 502 G CA 0.110 45.016 45.100 -0.325 0.000 1.739 502 G HN 0.047 nan 8.290 nan 0.000 0.646 503 E N 0.264 119.965 120.200 -0.832 0.000 2.274 503 E HA 0.291 4.683 4.350 0.069 0.000 0.269 503 E C -0.922 175.284 176.600 -0.656 0.000 0.891 503 E CA -0.737 55.270 56.400 -0.655 0.000 0.784 503 E CB 1.464 31.022 29.700 -0.237 0.000 1.225 503 E HN 0.209 nan 8.360 nan 0.000 0.412 504 Y N 2.709 122.803 120.300 -0.343 0.000 2.426 504 Y HA 0.210 4.802 4.550 0.070 0.000 0.249 504 Y C 0.728 176.358 175.900 -0.450 0.000 1.103 504 Y CA -0.062 57.739 58.100 -0.498 0.000 1.256 504 Y CB 0.464 38.455 38.460 -0.782 0.000 1.208 504 Y HN 0.436 nan 8.280 nan 0.000 0.519 505 Y N -1.425 118.962 120.300 0.146 0.000 2.467 505 Y HA 0.088 4.680 4.550 0.069 0.000 0.259 505 Y C 2.386 178.346 175.900 0.101 0.000 1.084 505 Y CA 0.119 58.297 58.100 0.131 0.000 1.275 505 Y CB -0.229 38.313 38.460 0.138 0.000 1.208 505 Y HN 0.052 nan 8.280 nan 0.000 0.511 506 S N -0.907 114.924 115.700 0.219 0.000 2.406 506 S HA -0.173 4.339 4.470 0.069 0.000 0.228 506 S C 1.438 176.121 174.600 0.137 0.000 1.020 506 S CA 1.565 59.877 58.200 0.187 0.000 0.965 506 S CB -0.487 62.827 63.200 0.191 0.000 0.798 506 S HN 0.421 nan 8.310 nan 0.000 0.488 507 H N 2.664 121.648 119.070 -0.144 0.000 2.372 507 H HA 0.223 4.821 4.556 0.069 0.000 0.301 507 H C -0.734 174.377 175.328 -0.361 0.000 1.065 507 H CA 1.083 56.903 56.048 -0.380 0.000 1.364 507 H CB -1.584 27.753 29.762 -0.710 0.000 1.406 507 H HN 0.377 nan 8.280 nan 0.000 0.521 508 P HA -0.182 nan 4.420 nan 0.000 0.216 508 P C 1.446 178.924 177.300 0.298 0.000 1.150 508 P CA 1.711 64.942 63.100 0.217 0.000 0.843 508 P CB 0.091 31.956 31.700 0.275 0.000 0.787 509 R N -0.411 120.216 120.500 0.211 0.000 2.090 509 R HA -0.091 4.290 4.340 0.069 0.000 0.228 509 R C 2.140 178.566 176.300 0.210 0.000 1.110 509 R CA 0.923 57.156 56.100 0.221 0.000 0.973 509 R CB -0.996 29.398 30.300 0.158 0.000 0.869 509 R HN 0.067 nan 8.270 nan 0.000 0.440 510 L N 0.525 121.818 121.223 0.117 0.000 2.017 510 L HA -0.119 4.262 4.340 0.069 0.000 0.208 510 L C 1.996 178.924 176.870 0.098 0.000 1.073 510 L CA 1.746 56.619 54.840 0.056 0.000 0.745 510 L CB -0.740 41.282 42.059 -0.062 0.000 0.894 510 L HN 0.241 nan 8.230 nan 0.000 0.432 511 F N -0.600 119.383 119.950 0.055 0.000 2.069 511 F HA -0.299 4.270 4.527 0.070 0.000 0.298 511 F C 2.346 178.153 175.800 0.011 0.000 1.113 511 F CA 2.298 60.313 58.000 0.024 0.000 1.214 511 F CB -0.689 38.370 39.000 0.098 0.000 0.978 511 F HN 0.396 nan 8.300 nan 0.000 0.474 512 W N 1.343 122.620 121.300 -0.038 0.000 2.318 512 W HA -0.257 4.444 4.660 0.069 0.000 0.313 512 W C 1.747 178.145 176.519 -0.202 0.000 1.221 512 W CA 1.869 59.146 57.345 -0.113 0.000 1.266 512 W CB -0.677 28.810 29.460 0.045 0.000 1.150 512 W HN 0.112 nan 8.180 nan 0.000 0.496 513 L N 0.982 122.137 121.223 -0.113 0.000 2.291 513 L HA -0.142 4.239 4.340 0.069 0.000 0.214 513 L C 2.398 179.079 176.870 -0.316 0.000 1.120 513 L CA 1.047 55.745 54.840 -0.237 0.000 0.799 513 L CB -0.706 41.334 42.059 -0.030 0.000 0.925 513 L HN -0.158 nan 8.230 nan 0.000 0.446 514 S N -1.197 114.302 115.700 -0.335 0.000 2.561 514 S HA 0.010 4.521 4.470 0.069 0.000 0.225 514 S C 0.736 175.045 174.600 -0.485 0.000 0.977 514 S CA 0.260 58.250 58.200 -0.351 0.000 0.926 514 S CB -0.078 62.952 63.200 -0.284 0.000 0.769 514 S HN 0.317 nan 8.310 nan 0.000 0.533 515 Q N 2.352 121.761 119.800 -0.653 0.000 2.299 515 Q HA 0.244 4.625 4.340 0.069 0.000 0.246 515 Q C 0.658 176.267 176.000 -0.653 0.000 0.935 515 Q CA -0.084 55.295 55.803 -0.707 0.000 0.887 515 Q CB 0.386 28.640 28.738 -0.808 0.000 1.223 515 Q HN 0.444 nan 8.270 nan 0.000 0.439 516 T N -1.236 112.897 114.554 -0.702 0.000 2.734 516 T HA 0.085 4.476 4.350 0.069 0.000 0.314 516 T C -1.710 172.536 174.700 -0.757 0.000 1.057 516 T CA -1.121 60.522 62.100 -0.762 0.000 1.047 516 T CB 0.214 68.349 68.868 -1.222 0.000 0.991 516 T HN 0.247 nan 8.240 nan 0.000 0.540 517 P HA -0.020 nan 4.420 nan 0.000 0.216 517 P C 1.337 178.439 177.300 -0.330 0.000 1.150 517 P CA 1.041 63.926 63.100 -0.358 0.000 0.837 517 P CB -0.219 31.388 31.700 -0.156 0.000 0.786 518 F N -0.431 119.322 119.950 -0.327 0.000 2.259 518 F HA 0.050 4.618 4.527 0.069 0.000 0.298 518 F C 1.834 177.271 175.800 -0.605 0.000 1.088 518 F CA 0.808 58.546 58.000 -0.438 0.000 1.358 518 F CB -1.558 37.168 39.000 -0.456 0.000 1.040 518 F HN -0.109 nan 8.300 nan 0.000 0.505 519 E N 0.572 120.244 120.200 -0.881 0.000 2.110 519 E HA -0.211 4.181 4.350 0.069 0.000 0.193 519 E C 2.225 178.640 176.600 -0.308 0.000 0.988 519 E CA 1.387 57.476 56.400 -0.518 0.000 0.804 519 E CB -0.279 29.052 29.700 -0.614 0.000 0.745 519 E HN 0.617 nan 8.360 nan 0.000 0.458 520 Q N 0.249 119.782 119.800 -0.445 0.000 2.084 520 Q HA -0.209 4.172 4.340 0.069 0.000 0.202 520 Q C 2.255 178.291 176.000 0.060 0.000 0.978 520 Q CA 1.299 56.867 55.803 -0.392 0.000 0.844 520 Q CB -0.116 28.138 28.738 -0.806 0.000 0.898 520 Q HN 0.002 nan 8.270 nan 0.000 0.426 521 R N 0.292 120.792 120.500 -0.000 0.000 2.091 521 R HA -0.157 4.225 4.340 0.069 0.000 0.238 521 R C 1.577 178.052 176.300 0.293 0.000 1.136 521 R CA 1.909 58.097 56.100 0.146 0.000 0.959 521 R CB -0.400 29.954 30.300 0.091 0.000 0.856 521 R HN 0.469 nan 8.270 nan 0.000 0.437 522 H N -0.983 118.182 119.070 0.158 0.000 2.462 522 H HA 0.042 4.639 4.556 0.070 0.000 0.292 522 H C 1.953 177.397 175.328 0.193 0.000 1.049 522 H CA 0.982 57.137 56.048 0.178 0.000 1.334 522 H CB 0.092 29.963 29.762 0.182 0.000 1.404 522 H HN 0.176 nan 8.280 nan 0.000 0.544 523 I N 0.164 120.955 120.570 0.367 0.000 2.142 523 I HA -0.269 3.943 4.170 0.069 0.000 0.240 523 I C 2.314 178.721 176.117 0.483 0.000 1.078 523 I CA 0.854 62.407 61.300 0.421 0.000 1.343 523 I CB -0.204 38.144 38.000 0.581 0.000 1.046 523 I HN 0.066 nan 8.210 nan 0.000 0.405 524 V N 0.954 121.148 119.914 0.467 0.000 2.282 524 V HA -0.350 3.811 4.120 0.069 0.000 0.249 524 V C 2.057 178.326 176.094 0.291 0.000 1.057 524 V CA 2.223 64.737 62.300 0.358 0.000 1.032 524 V CB -0.699 31.297 31.823 0.289 0.000 0.645 524 V HN 0.439 nan 8.190 nan 0.000 0.447 525 D N 0.207 120.764 120.400 0.261 0.000 2.178 525 D HA -0.085 4.596 4.640 0.069 0.000 0.202 525 D C 2.150 178.530 176.300 0.133 0.000 0.974 525 D CA 1.476 55.596 54.000 0.200 0.000 0.841 525 D CB -0.546 40.377 40.800 0.204 0.000 0.953 525 D HN 0.492 nan 8.370 nan 0.000 0.478 526 G N 0.172 109.028 108.800 0.093 0.000 2.433 526 G HA2 -0.246 3.756 3.960 0.069 0.000 0.216 526 G HA3 -0.246 3.756 3.960 0.069 0.000 0.216 526 G C 1.462 176.367 174.900 0.009 0.000 1.186 526 G CA 0.196 45.254 45.100 -0.071 0.000 0.779 526 G HN 0.172 nan 8.290 nan 0.000 0.543 527 F N 1.811 121.798 119.950 0.063 0.000 2.134 527 F HA -0.077 4.492 4.527 0.070 0.000 0.299 527 F C 3.176 178.907 175.800 -0.116 0.000 1.097 527 F CA 1.588 59.563 58.000 -0.041 0.000 1.264 527 F CB -0.296 38.683 39.000 -0.035 0.000 1.001 527 F HN 0.083 nan 8.300 nan 0.000 0.479 528 S N -0.023 115.782 115.700 0.174 0.000 2.356 528 S HA -0.220 4.292 4.470 0.069 0.000 0.223 528 S C 1.869 176.502 174.600 0.055 0.000 1.032 528 S CA 1.325 59.572 58.200 0.078 0.000 1.005 528 S CB -0.837 62.427 63.200 0.106 0.000 0.867 528 S HN 0.395 nan 8.310 nan 0.000 0.449 529 F N 2.669 122.588 119.950 -0.052 0.000 2.095 529 F HA -0.135 4.433 4.527 0.069 0.000 0.298 529 F C 2.368 178.117 175.800 -0.085 0.000 1.104 529 F CA 1.581 59.542 58.000 -0.065 0.000 1.232 529 F CB -0.321 38.593 39.000 -0.143 0.000 0.987 529 F HN 0.133 nan 8.300 nan 0.000 0.475 530 E N 0.508 120.746 120.200 0.063 0.000 2.051 530 E HA -0.218 4.173 4.350 0.069 0.000 0.192 530 E C 2.350 178.800 176.600 -0.249 0.000 0.991 530 E CA 1.720 58.121 56.400 0.001 0.000 0.799 530 E CB -0.540 29.284 29.700 0.206 0.000 0.748 530 E HN 0.481 nan 8.360 nan 0.000 0.449 531 L N 1.282 122.267 121.223 -0.397 0.000 2.291 531 L HA -0.099 4.283 4.340 0.069 0.000 0.214 531 L C 2.669 179.390 176.870 -0.249 0.000 1.120 531 L CA 0.944 55.519 54.840 -0.443 0.000 0.799 531 L CB -0.403 41.399 42.059 -0.429 0.000 0.925 531 L HN 0.126 nan 8.230 nan 0.000 0.446 532 S N -0.774 114.796 115.700 -0.216 0.000 2.447 532 S HA -0.101 4.410 4.470 0.069 0.000 0.233 532 S C 1.791 176.286 174.600 -0.176 0.000 1.006 532 S CA 0.585 58.678 58.200 -0.179 0.000 0.957 532 S CB -0.112 62.981 63.200 -0.178 0.000 0.773 532 S HN 0.255 nan 8.310 nan 0.000 0.507 533 K N 1.221 121.500 120.400 -0.202 0.000 2.426 533 K HA 0.327 4.688 4.320 0.069 0.000 0.193 533 K C 0.012 176.614 176.600 0.003 0.000 1.028 533 K CA -0.022 56.201 56.287 -0.105 0.000 1.047 533 K CB -0.148 32.289 32.500 -0.105 0.000 0.821 533 K HN 0.323 nan 8.250 nan 0.000 0.513 534 V N 2.182 122.080 119.914 -0.027 0.000 2.470 534 V HA -0.015 4.147 4.120 0.069 0.000 0.276 534 V C 1.717 177.801 176.094 -0.015 0.000 1.040 534 V CA -0.014 62.293 62.300 0.012 0.000 1.008 534 V CB 1.299 33.095 31.823 -0.045 0.000 0.990 534 V HN -0.118 nan 8.190 nan 0.000 0.477 535 V N 5.246 125.171 119.914 0.019 0.000 2.591 535 V HA -0.011 4.151 4.120 0.069 0.000 0.249 535 V C 1.296 177.378 176.094 -0.021 0.000 1.053 535 V CA 1.197 63.503 62.300 0.011 0.000 1.068 535 V CB -0.462 31.383 31.823 0.038 0.000 0.689 535 V HN 0.738 nan 8.190 nan 0.000 0.462 536 R N 0.717 121.177 120.500 -0.066 0.000 2.205 536 R HA 0.215 4.597 4.340 0.069 0.000 0.342 536 R C -1.788 174.393 176.300 -0.199 0.000 1.058 536 R CA -1.528 54.505 56.100 -0.112 0.000 0.904 536 R CB 0.886 31.056 30.300 -0.217 0.000 1.089 536 R HN 0.205 nan 8.270 nan 0.000 0.471 537 P HA -0.190 nan 4.420 nan 0.000 0.220 537 P C 0.662 177.925 177.300 -0.061 0.000 1.148 537 P CA 1.104 64.172 63.100 -0.053 0.000 0.803 537 P CB 0.039 31.747 31.700 0.014 0.000 0.782 538 Y N -1.799 118.502 120.300 0.000 0.000 2.403 538 Y HA -0.057 4.535 4.550 0.069 0.000 0.291 538 Y C 1.887 177.792 175.900 0.008 0.000 1.143 538 Y CA 0.698 58.799 58.100 0.001 0.000 1.257 538 Y CB -1.650 36.811 38.460 0.002 0.000 0.984 538 Y HN -0.094 nan 8.280 nan 0.000 0.550 539 I N 0.716 120.872 120.570 -0.689 0.000 2.286 539 I HA -0.198 4.014 4.170 0.069 0.000 0.245 539 I C 2.460 178.485 176.117 -0.153 0.000 1.104 539 I CA 1.044 62.095 61.300 -0.415 0.000 1.397 539 I CB -0.326 37.419 38.000 -0.425 0.000 1.072 539 I HN 0.190 nan 8.210 nan 0.000 0.417 540 R N 0.910 121.311 120.500 -0.164 0.000 2.091 540 R HA -0.202 4.179 4.340 0.069 0.000 0.238 540 R C 2.084 178.334 176.300 -0.084 0.000 1.136 540 R CA 1.591 57.608 56.100 -0.137 0.000 0.959 540 R CB -0.431 29.788 30.300 -0.135 0.000 0.856 540 R HN 0.458 nan 8.270 nan 0.000 0.437 541 E N 0.375 120.549 120.200 -0.043 0.000 2.077 541 E HA -0.170 4.222 4.350 0.069 0.000 0.193 541 E C 2.129 178.735 176.600 0.011 0.000 0.989 541 E CA 1.072 57.468 56.400 -0.006 0.000 0.800 541 E CB -0.041 29.679 29.700 0.033 0.000 0.746 541 E HN 0.297 nan 8.360 nan 0.000 0.452 542 R N 0.321 120.842 120.500 0.035 0.000 2.090 542 R HA -0.061 4.320 4.340 0.069 0.000 0.228 542 R C 2.401 178.724 176.300 0.039 0.000 1.110 542 R CA 0.871 57.003 56.100 0.054 0.000 0.973 542 R CB -0.177 30.177 30.300 0.089 0.000 0.869 542 R HN 0.050 nan 8.270 nan 0.000 0.440 543 V N 0.463 120.394 119.914 0.028 0.000 2.307 543 V HA -0.203 3.958 4.120 0.069 0.000 0.245 543 V C 2.320 178.391 176.094 -0.038 0.000 1.045 543 V CA 1.506 63.831 62.300 0.041 0.000 1.024 543 V CB -0.328 31.531 31.823 0.060 0.000 0.651 543 V HN 0.107 nan 8.190 nan 0.000 0.449 544 V N 0.652 120.518 119.914 -0.080 0.000 2.392 544 V HA -0.347 3.815 4.120 0.069 0.000 0.249 544 V C 2.311 178.363 176.094 -0.070 0.000 1.059 544 V CA 2.544 64.777 62.300 -0.112 0.000 1.051 544 V CB -0.735 31.027 31.823 -0.102 0.000 0.658 544 V HN 0.677 nan 8.190 nan 0.000 0.455 545 D N -0.894 119.498 120.400 -0.014 0.000 2.117 545 D HA -0.194 4.487 4.640 0.069 0.000 0.197 545 D C 2.278 178.649 176.300 0.119 0.000 0.987 545 D CA 1.139 55.164 54.000 0.042 0.000 0.829 545 D CB -0.019 40.821 40.800 0.067 0.000 0.961 545 D HN 0.358 nan 8.370 nan 0.000 0.460 546 Q N -0.125 119.718 119.800 0.071 0.000 2.084 546 Q HA -0.103 4.279 4.340 0.069 0.000 0.202 546 Q C 2.590 178.613 176.000 0.038 0.000 0.978 546 Q CA 0.730 56.583 55.803 0.084 0.000 0.844 546 Q CB -0.345 28.461 28.738 0.114 0.000 0.898 546 Q HN 0.460 nan 8.270 nan 0.000 0.426 547 L N 0.188 121.369 121.223 -0.071 0.000 2.131 547 L HA -0.149 4.232 4.340 0.069 0.000 0.210 547 L C 2.385 179.142 176.870 -0.190 0.000 1.092 547 L CA 0.975 55.697 54.840 -0.195 0.000 0.759 547 L CB -0.682 41.155 42.059 -0.370 0.000 0.903 547 L HN 0.112 nan 8.230 nan 0.000 0.435 548 A N -0.717 122.017 122.820 -0.143 0.000 2.067 548 A HA -0.204 4.157 4.320 0.069 0.000 0.219 548 A C 1.779 179.195 177.584 -0.281 0.000 1.158 548 A CA 1.270 53.189 52.037 -0.198 0.000 0.661 548 A CB -0.722 18.167 19.000 -0.185 0.000 0.801 548 A HN 0.447 nan 8.150 nan 0.000 0.452 549 H N -1.092 117.768 119.070 -0.351 0.000 2.547 549 H HA 0.214 4.812 4.556 0.069 0.000 0.272 549 H C 1.580 176.629 175.328 -0.466 0.000 0.989 549 H CA 1.108 56.813 56.048 -0.572 0.000 1.214 549 H CB 0.027 29.053 29.762 -1.227 0.000 1.389 549 H HN 0.516 nan 8.280 nan 0.000 0.577 550 I N -1.168 119.302 120.570 -0.166 0.000 2.681 550 I HA 0.066 4.278 4.170 0.069 0.000 0.247 550 I C -0.064 175.985 176.117 -0.113 0.000 1.091 550 I CA 0.492 61.762 61.300 -0.051 0.000 1.442 550 I CB 0.604 38.605 38.000 0.001 0.000 1.219 550 I HN 0.093 nan 8.210 nan 0.000 0.451 551 D N -0.353 119.907 120.400 -0.233 0.000 2.931 551 D HA 0.168 4.850 4.640 0.069 0.000 0.215 551 D C 0.321 176.461 176.300 -0.267 0.000 1.297 551 D CA -0.375 53.473 54.000 -0.254 0.000 0.892 551 D CB 1.511 42.037 40.800 -0.455 0.000 1.642 551 D HN -0.020 nan 8.370 nan 0.000 0.560 552 L N 2.960 124.084 121.223 -0.165 0.000 2.046 552 L HA -0.102 4.280 4.340 0.069 0.000 0.208 552 L C 1.338 178.130 176.870 -0.130 0.000 1.077 552 L CA 1.848 56.602 54.840 -0.142 0.000 0.747 552 L CB -0.494 41.510 42.059 -0.092 0.000 0.896 552 L HN 0.587 nan 8.230 nan 0.000 0.432 553 T N 0.833 115.338 114.554 -0.082 0.000 2.652 553 T HA -0.243 4.149 4.350 0.069 0.000 0.267 553 T C 1.827 176.468 174.700 -0.099 0.000 1.039 553 T CA 1.743 63.835 62.100 -0.013 0.000 1.153 553 T CB -0.447 68.505 68.868 0.141 0.000 0.863 553 T HN 0.293 nan 8.240 nan 0.000 0.428 554 L N 1.664 122.665 121.223 -0.369 0.000 1.997 554 L HA -0.131 4.250 4.340 0.069 0.000 0.216 554 L C 2.583 179.223 176.870 -0.383 0.000 1.074 554 L CA 2.338 56.790 54.840 -0.648 0.000 0.763 554 L CB -1.209 40.054 42.059 -1.326 0.000 0.890 554 L HN 0.245 nan 8.230 nan 0.000 0.434 555 A N -1.295 121.320 122.820 -0.341 0.000 1.877 555 A HA -0.255 4.107 4.320 0.069 0.000 0.216 555 A C 2.198 179.682 177.584 -0.168 0.000 1.186 555 A CA 1.808 53.690 52.037 -0.258 0.000 0.620 555 A CB -0.669 18.198 19.000 -0.222 0.000 0.822 555 A HN 0.699 nan 8.150 nan 0.000 0.443 556 Q N -0.786 118.938 119.800 -0.126 0.000 2.170 556 Q HA -0.112 4.270 4.340 0.069 0.000 0.203 556 Q C 2.344 178.313 176.000 -0.050 0.000 0.976 556 Q CA 1.352 57.111 55.803 -0.074 0.000 0.858 556 Q CB -0.339 28.369 28.738 -0.049 0.000 0.907 556 Q HN 0.706 nan 8.270 nan 0.000 0.433 557 A N 0.010 122.803 122.820 -0.045 0.000 1.930 557 A HA -0.074 4.288 4.320 0.069 0.000 0.215 557 A C 2.269 179.849 177.584 -0.006 0.000 1.176 557 A CA 0.844 52.883 52.037 0.004 0.000 0.632 557 A CB -0.366 18.666 19.000 0.054 0.000 0.819 557 A HN 0.186 nan 8.150 nan 0.000 0.445 558 V N 0.059 119.938 119.914 -0.058 0.000 2.307 558 V HA -0.233 3.928 4.120 0.069 0.000 0.245 558 V C 3.075 179.135 176.094 -0.057 0.000 1.045 558 V CA 1.847 64.112 62.300 -0.059 0.000 1.024 558 V CB -1.306 30.425 31.823 -0.154 0.000 0.651 558 V HN 0.586 nan 8.190 nan 0.000 0.449 559 A N -0.001 122.773 122.820 -0.077 0.000 1.917 559 A HA -0.341 4.021 4.320 0.069 0.000 0.219 559 A C 2.341 179.905 177.584 -0.033 0.000 1.182 559 A CA 2.535 54.535 52.037 -0.060 0.000 0.633 559 A CB -0.577 18.386 19.000 -0.063 0.000 0.819 559 A HN 0.569 nan 8.150 nan 0.000 0.448 560 K N -0.580 119.808 120.400 -0.020 0.000 2.097 560 K HA -0.155 4.206 4.320 0.069 0.000 0.206 560 K C 1.318 177.921 176.600 0.006 0.000 1.049 560 K CA 1.500 57.786 56.287 -0.003 0.000 0.933 560 K CB -0.181 32.324 32.500 0.008 0.000 0.717 560 K HN 0.431 nan 8.250 nan 0.000 0.442 561 N N 0.593 119.299 118.700 0.011 0.000 2.459 561 N HA -0.056 4.725 4.740 0.069 0.000 0.181 561 N C 1.138 176.650 175.510 0.003 0.000 1.046 561 N CA 0.745 53.808 53.050 0.022 0.000 0.904 561 N CB 0.199 38.712 38.487 0.044 0.000 0.964 561 N HN 0.276 nan 8.380 nan 0.000 0.444 562 L N -0.974 120.240 121.223 -0.016 0.000 2.693 562 L HA 0.271 4.652 4.340 0.069 0.000 0.235 562 L C 0.911 177.767 176.870 -0.023 0.000 1.127 562 L CA -0.097 54.725 54.840 -0.031 0.000 0.914 562 L CB 0.050 42.075 42.059 -0.057 0.000 1.193 562 L HN 0.047 nan 8.230 nan 0.000 0.502 563 G N 1.702 110.494 108.800 -0.013 0.000 2.221 563 G HA2 -0.286 3.716 3.960 0.069 0.000 0.265 563 G HA3 -0.286 3.716 3.960 0.069 0.000 0.265 563 G C 0.038 174.930 174.900 -0.014 0.000 1.041 563 G CA 0.146 45.241 45.100 -0.009 0.000 0.807 563 G HN 0.326 nan 8.290 nan 0.000 0.502 564 I N -0.144 120.413 120.570 -0.021 0.000 2.412 564 I HA 0.409 4.621 4.170 0.069 0.000 0.296 564 I C 0.307 176.410 176.117 -0.024 0.000 0.987 564 I CA -0.658 60.629 61.300 -0.023 0.000 1.180 564 I CB 1.701 39.680 38.000 -0.035 0.000 1.340 564 I HN 0.059 nan 8.210 nan 0.000 0.455 565 E N 5.832 126.020 120.200 -0.020 0.000 2.151 565 E HA 0.448 4.839 4.350 0.069 0.000 0.275 565 E C -0.990 175.594 176.600 -0.026 0.000 0.936 565 E CA -0.759 55.628 56.400 -0.021 0.000 0.777 565 E CB 1.924 31.616 29.700 -0.015 0.000 1.108 565 E HN 0.415 nan 8.360 nan 0.000 0.401 566 L N 2.611 123.813 121.223 -0.035 0.000 2.461 566 L HA 0.106 4.487 4.340 0.069 0.000 0.272 566 L C 1.167 178.016 176.870 -0.034 0.000 1.197 566 L CA -0.113 54.702 54.840 -0.041 0.000 0.836 566 L CB 0.118 42.143 42.059 -0.057 0.000 1.105 566 L HN 0.629 nan 8.230 nan 0.000 0.477 567 T N -2.560 111.974 114.554 -0.034 0.000 2.754 567 T HA 0.089 4.481 4.350 0.069 0.000 0.286 567 T C 0.654 175.333 174.700 -0.035 0.000 0.997 567 T CA -0.725 61.358 62.100 -0.028 0.000 0.982 567 T CB 1.028 69.882 68.868 -0.023 0.000 1.027 567 T HN 0.506 nan 8.240 nan 0.000 0.529 568 D N 0.194 120.577 120.400 -0.029 0.000 2.144 568 D HA -0.044 4.637 4.640 0.069 0.000 0.200 568 D C 1.721 177.996 176.300 -0.041 0.000 0.978 568 D CA 0.975 54.956 54.000 -0.032 0.000 0.833 568 D CB -0.274 40.512 40.800 -0.024 0.000 0.961 568 D HN 0.568 nan 8.370 nan 0.000 0.470 569 D N 0.417 120.794 120.400 -0.039 0.000 2.097 569 D HA -0.139 4.543 4.640 0.069 0.000 0.195 569 D C 2.068 178.321 176.300 -0.078 0.000 0.989 569 D CA 0.840 54.812 54.000 -0.047 0.000 0.827 569 D CB -0.285 40.495 40.800 -0.032 0.000 0.966 569 D HN 0.331 nan 8.370 nan 0.000 0.456 570 Q N -0.330 119.423 119.800 -0.078 0.000 2.124 570 Q HA -0.100 4.282 4.340 0.069 0.000 0.202 570 Q C 1.863 177.789 176.000 -0.125 0.000 0.977 570 Q CA 0.551 56.284 55.803 -0.117 0.000 0.850 570 Q CB -0.000 28.682 28.738 -0.092 0.000 0.901 570 Q HN 0.162 nan 8.270 nan 0.000 0.429 571 L N 0.494 121.664 121.223 -0.088 0.000 2.362 571 L HA -0.121 4.260 4.340 0.069 0.000 0.219 571 L C 0.616 177.437 176.870 -0.082 0.000 1.134 571 L CA 1.597 56.389 54.840 -0.079 0.000 0.807 571 L CB -0.470 41.556 42.059 -0.055 0.000 0.927 571 L HN 0.210 nan 8.230 nan 0.000 0.447 572 N N -1.667 116.980 118.700 -0.089 0.000 2.204 572 N HA 0.218 5.000 4.740 0.069 0.000 0.219 572 N C 0.109 175.557 175.510 -0.103 0.000 1.151 572 N CA -0.155 52.848 53.050 -0.079 0.000 0.867 572 N CB 0.589 39.042 38.487 -0.055 0.000 1.043 572 N HN 0.136 nan 8.380 nan 0.000 0.516 573 I N 1.426 121.900 120.570 -0.160 0.000 2.618 573 I HA -0.037 4.174 4.170 0.069 0.000 0.284 573 I C 0.378 176.403 176.117 -0.153 0.000 1.146 573 I CA 0.286 61.457 61.300 -0.214 0.000 1.425 573 I CB 0.539 38.281 38.000 -0.429 0.000 1.383 573 I HN 0.059 nan 8.210 nan 0.000 0.562 574 T N 8.143 122.635 114.554 -0.103 0.000 2.870 574 T HA 0.168 4.560 4.350 0.069 0.000 0.300 574 T C -1.990 172.676 174.700 -0.057 0.000 0.989 574 T CA -0.855 61.210 62.100 -0.058 0.000 1.139 574 T CB 0.209 69.063 68.868 -0.023 0.000 0.920 574 T HN 0.417 nan 8.240 nan 0.000 0.537 575 P HA 0.195 nan 4.420 nan 0.000 0.269 575 P C -2.381 174.935 177.300 0.027 0.000 1.215 575 P CA -1.291 61.799 63.100 -0.017 0.000 0.780 575 P CB -0.373 31.326 31.700 -0.001 0.000 0.898 576 P HA 0.224 nan 4.420 nan 0.000 0.274 576 P C -2.356 174.999 177.300 0.092 0.000 1.246 576 P CA -1.400 61.768 63.100 0.113 0.000 0.795 576 P CB -0.853 30.961 31.700 0.190 0.000 1.006 577 P HA 0.117 nan 4.420 nan 0.000 0.272 577 P C -0.251 177.101 177.300 0.086 0.000 1.240 577 P CA 0.005 63.154 63.100 0.081 0.000 0.791 577 P CB 0.400 32.149 31.700 0.082 0.000 0.978 578 D N -0.477 119.966 120.400 0.072 0.000 2.361 578 D HA 0.109 4.790 4.640 0.069 0.000 0.239 578 D C -0.161 176.190 176.300 0.086 0.000 1.200 578 D CA 0.100 54.139 54.000 0.066 0.000 0.915 578 D CB 0.365 41.197 40.800 0.054 0.000 1.170 578 D HN -0.023 nan 8.370 nan 0.000 0.444 579 V N 2.213 122.169 119.914 0.071 0.000 2.333 579 V HA 0.086 4.248 4.120 0.069 0.000 0.274 579 V C 0.056 176.245 176.094 0.158 0.000 1.028 579 V CA -0.606 61.769 62.300 0.124 0.000 0.851 579 V CB 0.140 31.954 31.823 -0.015 0.000 1.000 579 V HN 0.585 nan 8.190 nan 0.000 0.456 580 N N 4.423 123.235 118.700 0.186 0.000 2.714 580 N HA -0.228 4.554 4.740 0.069 0.000 0.252 580 N C 1.168 176.742 175.510 0.107 0.000 1.014 580 N CA 1.154 54.297 53.050 0.154 0.000 0.735 580 N CB -0.909 37.712 38.487 0.223 0.000 0.924 580 N HN 1.326 nan 8.380 nan 0.000 0.540 581 G N -2.110 106.740 108.800 0.083 0.000 2.179 581 G HA2 -0.332 3.670 3.960 0.069 0.000 0.260 581 G HA3 -0.332 3.670 3.960 0.069 0.000 0.260 581 G C 0.081 175.012 174.900 0.051 0.000 0.977 581 G CA 0.366 45.501 45.100 0.059 0.000 0.641 581 G HN 0.418 nan 8.290 nan 0.000 0.533 582 L N -0.009 121.247 121.223 0.056 0.000 2.290 582 L HA 0.463 4.844 4.340 0.069 0.000 0.284 582 L C 1.268 178.153 176.870 0.024 0.000 1.078 582 L CA -0.305 54.558 54.840 0.038 0.000 0.815 582 L CB 1.376 43.458 42.059 0.039 0.000 1.162 582 L HN 0.044 nan 8.230 nan 0.000 0.435 583 K N 3.276 123.685 120.400 0.015 0.000 2.397 583 K HA 0.160 4.521 4.320 0.069 0.000 0.202 583 K C -0.711 175.881 176.600 -0.013 0.000 1.022 583 K CA -0.033 56.259 56.287 0.009 0.000 1.141 583 K CB 0.343 32.849 32.500 0.010 0.000 0.857 583 K HN 0.548 nan 8.250 nan 0.000 0.514 584 K N -1.138 119.250 120.400 -0.019 0.000 2.960 584 K HA 0.157 4.519 4.320 0.069 0.000 0.296 584 K C -2.192 174.390 176.600 -0.031 0.000 1.092 584 K CA -1.008 55.252 56.287 -0.046 0.000 0.847 584 K CB 0.694 33.149 32.500 -0.075 0.000 1.458 584 K HN -0.193 nan 8.250 nan 0.000 0.359 585 D N 1.245 121.620 120.400 -0.042 0.000 2.478 585 D HA 0.323 5.004 4.640 0.069 0.000 0.240 585 D C -2.317 173.965 176.300 -0.030 0.000 1.364 585 D CA -1.840 52.153 54.000 -0.011 0.000 0.987 585 D CB 2.308 43.123 40.800 0.025 0.000 1.328 585 D HN 0.236 nan 8.370 nan 0.000 0.584 586 P HA -0.065 nan 4.420 nan 0.000 0.226 586 P C 1.296 178.587 177.300 -0.015 0.000 1.153 586 P CA 0.733 63.802 63.100 -0.052 0.000 0.777 586 P CB 0.262 31.943 31.700 -0.032 0.000 0.794 587 S N -1.007 114.717 115.700 0.040 0.000 2.500 587 S HA -0.076 4.435 4.470 0.069 0.000 0.239 587 S C 1.634 176.317 174.600 0.139 0.000 0.989 587 S CA 0.871 59.131 58.200 0.100 0.000 0.951 587 S CB -1.354 61.933 63.200 0.144 0.000 0.759 587 S HN 0.159 nan 8.310 nan 0.000 0.523 588 L N 1.241 122.510 121.223 0.076 0.000 2.509 588 L HA 0.214 4.596 4.340 0.069 0.000 0.222 588 L C 1.454 178.218 176.870 -0.176 0.000 1.123 588 L CA 0.101 54.982 54.840 0.068 0.000 0.856 588 L CB -0.247 41.839 42.059 0.045 0.000 0.985 588 L HN 0.336 nan 8.230 nan 0.000 0.456 589 S N -0.451 115.129 115.700 -0.199 0.000 2.616 589 S HA 0.311 4.822 4.470 0.069 0.000 0.277 589 S C 1.015 175.489 174.600 -0.211 0.000 1.234 589 S CA -0.632 57.388 58.200 -0.301 0.000 1.028 589 S CB 1.428 64.458 63.200 -0.283 0.000 0.988 589 S HN 0.164 nan 8.310 nan 0.000 0.522 590 L N 2.682 123.698 121.223 -0.345 0.000 2.240 590 L HA 0.068 4.450 4.340 0.069 0.000 0.211 590 L C 0.777 177.361 176.870 -0.477 0.000 1.106 590 L CA 0.962 55.499 54.840 -0.506 0.000 0.793 590 L CB -0.230 41.211 42.059 -1.029 0.000 0.927 590 L HN 0.754 nan 8.230 nan 0.000 0.446 591 Y N -2.369 117.921 120.300 -0.016 0.000 2.448 591 Y HA 0.335 4.927 4.550 0.069 0.000 0.257 591 Y C 2.144 178.063 175.900 0.031 0.000 1.089 591 Y CA -0.248 57.895 58.100 0.072 0.000 1.245 591 Y CB -0.460 38.080 38.460 0.133 0.000 1.282 591 Y HN -0.054 nan 8.280 nan 0.000 0.529 592 A N 0.776 123.615 122.820 0.033 0.000 1.927 592 A HA -0.136 4.226 4.320 0.069 0.000 0.220 592 A C 0.935 178.552 177.584 0.056 0.000 1.185 592 A CA 1.389 53.420 52.037 -0.010 0.000 0.639 592 A CB -0.811 18.133 19.000 -0.093 0.000 0.820 592 A HN 0.308 nan 8.150 nan 0.000 0.451 593 I N 0.510 121.123 120.570 0.071 0.000 2.371 593 I HA 0.247 4.458 4.170 0.069 0.000 0.282 593 I C -2.502 173.689 176.117 0.123 0.000 1.031 593 I CA -2.135 59.215 61.300 0.083 0.000 1.180 593 I CB 1.577 39.614 38.000 0.060 0.000 1.336 593 I HN -0.028 nan 8.210 nan 0.000 0.467 594 P HA -0.081 nan 4.420 nan 0.000 0.259 594 P C -0.277 177.102 177.300 0.131 0.000 1.163 594 P CA 0.581 63.779 63.100 0.163 0.000 0.760 594 P CB 0.359 32.139 31.700 0.133 0.000 0.762 595 D N 1.240 121.728 120.400 0.146 0.000 2.602 595 D HA 0.089 4.771 4.640 0.069 0.000 0.265 595 D C 0.662 177.024 176.300 0.103 0.000 1.454 595 D CA -0.337 53.730 54.000 0.110 0.000 0.795 595 D CB -0.550 40.311 40.800 0.101 0.000 1.140 595 D HN 0.326 nan 8.370 nan 0.000 0.486 596 G N 0.246 109.120 108.800 0.123 0.000 2.464 596 G HA2 0.291 4.293 3.960 0.069 0.000 0.231 596 G HA3 0.291 4.293 3.960 0.069 0.000 0.231 596 G C -0.518 174.421 174.900 0.064 0.000 1.267 596 G CA 0.246 45.407 45.100 0.102 0.000 0.863 596 G HN 0.210 nan 8.290 nan 0.000 0.559 597 D N 0.158 120.588 120.400 0.049 0.000 2.970 597 D HA 0.217 4.898 4.640 0.069 0.000 0.230 597 D C 0.834 177.146 176.300 0.020 0.000 1.276 597 D CA -0.451 53.564 54.000 0.026 0.000 0.910 597 D CB 1.894 42.703 40.800 0.015 0.000 1.590 597 D HN 0.358 nan 8.370 nan 0.000 0.551 598 V N 1.494 121.412 119.914 0.007 0.000 3.506 598 V HA 0.294 4.456 4.120 0.069 0.000 0.263 598 V C 1.015 177.090 176.094 -0.032 0.000 1.203 598 V CA 0.012 62.311 62.300 -0.002 0.000 1.133 598 V CB -0.619 31.199 31.823 -0.009 0.000 0.802 598 V HN 0.392 nan 8.190 nan 0.000 0.459 599 K N 1.398 121.773 120.400 -0.042 0.000 2.484 599 K HA 0.343 4.704 4.320 0.069 0.000 0.280 599 K C 1.334 177.892 176.600 -0.070 0.000 1.013 599 K CA 1.224 57.466 56.287 -0.076 0.000 1.029 599 K CB 0.020 32.484 32.500 -0.059 0.000 0.902 599 K HN 0.726 nan 8.250 nan 0.000 0.481 600 G N 3.143 111.863 108.800 -0.133 0.000 2.199 600 G HA2 -0.237 3.765 3.960 0.069 0.000 0.254 600 G HA3 -0.237 3.765 3.960 0.069 0.000 0.254 600 G C 0.153 175.087 174.900 0.056 0.000 0.982 600 G CA -0.093 44.998 45.100 -0.014 0.000 0.632 600 G HN 0.568 nan 8.290 nan 0.000 0.529 601 R N -0.283 120.221 120.500 0.007 0.000 2.738 601 R HA 0.654 5.036 4.340 0.069 0.000 0.275 601 R C 0.138 176.485 176.300 0.078 0.000 1.121 601 R CA 0.008 56.146 56.100 0.062 0.000 1.207 601 R CB 0.561 30.890 30.300 0.048 0.000 1.141 601 R HN 0.393 nan 8.270 nan 0.000 0.571 602 V N 0.451 120.432 119.914 0.111 0.000 2.808 602 V HA 0.346 4.508 4.120 0.069 0.000 0.308 602 V C -0.412 175.744 176.094 0.104 0.000 1.099 602 V CA -0.884 61.498 62.300 0.136 0.000 0.920 602 V CB 2.415 34.342 31.823 0.173 0.000 1.014 602 V HN 0.372 nan 8.190 nan 0.000 0.425 603 V N 2.537 122.507 119.914 0.092 0.000 2.628 603 V HA 0.831 4.992 4.120 0.069 0.000 0.306 603 V C 0.377 176.525 176.094 0.091 0.000 1.045 603 V CA -0.574 61.772 62.300 0.077 0.000 0.905 603 V CB 2.027 33.881 31.823 0.051 0.000 0.997 603 V HN 1.061 nan 8.190 nan 0.000 0.436 604 A N 5.439 128.319 122.820 0.099 0.000 2.301 604 A HA 0.798 5.160 4.320 0.069 0.000 0.298 604 A C -0.519 177.081 177.584 0.028 0.000 1.185 604 A CA -0.335 51.752 52.037 0.082 0.000 0.830 604 A CB 0.148 19.233 19.000 0.141 0.000 1.112 604 A HN 0.751 nan 8.150 nan 0.000 0.508 605 I N 3.477 124.056 120.570 0.014 0.000 2.354 605 I HA 0.180 4.392 4.170 0.069 0.000 0.286 605 I C -1.038 175.084 176.117 0.008 0.000 1.007 605 I CA -0.753 60.556 61.300 0.015 0.000 1.167 605 I CB 1.457 39.477 38.000 0.033 0.000 1.320 605 I HN 0.349 nan 8.210 nan 0.000 0.458 606 L N 7.488 128.704 121.223 -0.012 0.000 2.278 606 L HA 0.413 4.794 4.340 0.069 0.000 0.287 606 L C 0.142 177.102 176.870 0.150 0.000 1.072 606 L CA 0.074 54.956 54.840 0.069 0.000 0.819 606 L CB 0.501 42.479 42.059 -0.135 0.000 1.176 606 L HN 0.428 nan 8.230 nan 0.000 0.435 607 L N 3.494 124.863 121.223 0.244 0.000 2.431 607 L HA 0.484 4.866 4.340 0.069 0.000 0.260 607 L C 0.169 177.228 176.870 0.316 0.000 1.098 607 L CA -0.719 54.226 54.840 0.174 0.000 0.800 607 L CB 1.306 43.385 42.059 0.032 0.000 1.210 607 L HN 0.761 nan 8.230 nan 0.000 0.465 608 N N -2.321 116.478 118.700 0.164 0.000 2.761 608 N HA 0.230 5.012 4.740 0.069 0.000 0.283 608 N C -0.311 175.189 175.510 -0.016 0.000 1.377 608 N CA -0.712 52.481 53.050 0.238 0.000 0.791 608 N CB 0.680 39.290 38.487 0.206 0.000 1.540 608 N HN 0.539 nan 8.380 nan 0.000 0.539 609 D N -1.851 118.584 120.400 0.058 0.000 2.363 609 D HA -0.086 4.596 4.640 0.069 0.000 0.220 609 D C -0.198 176.073 176.300 -0.049 0.000 0.994 609 D CA 0.780 54.737 54.000 -0.071 0.000 0.890 609 D CB -0.035 40.806 40.800 0.069 0.000 0.906 609 D HN 0.763 nan 8.370 nan 0.000 0.530 610 E N 0.575 120.768 120.200 -0.012 0.000 3.935 610 E HA 0.253 4.644 4.350 0.069 0.000 0.226 610 E C -1.106 175.486 176.600 -0.013 0.000 1.220 610 E CA -0.443 55.947 56.400 -0.017 0.000 1.226 610 E CB 0.664 30.362 29.700 -0.003 0.000 1.237 610 E HN -0.124 nan 8.360 nan 0.000 0.417 611 V N 2.000 121.898 119.914 -0.027 0.000 2.763 611 V HA 0.031 4.192 4.120 0.069 0.000 0.306 611 V C 0.774 176.856 176.094 -0.019 0.000 1.059 611 V CA 0.291 62.581 62.300 -0.015 0.000 1.138 611 V CB 0.847 32.655 31.823 -0.025 0.000 0.940 611 V HN 0.501 nan 8.190 nan 0.000 0.489 612 R N 3.068 123.559 120.500 -0.016 0.000 2.291 612 R HA 0.099 4.481 4.340 0.069 0.000 0.333 612 R C 1.523 177.805 176.300 -0.030 0.000 1.082 612 R CA 0.482 56.567 56.100 -0.025 0.000 0.948 612 R CB 0.442 30.722 30.300 -0.033 0.000 1.009 612 R HN 0.974 nan 8.270 nan 0.000 0.460 613 S N 3.453 119.136 115.700 -0.028 0.000 2.382 613 S HA -0.207 4.305 4.470 0.069 0.000 0.228 613 S C 2.017 176.600 174.600 -0.029 0.000 1.027 613 S CA 0.832 59.016 58.200 -0.027 0.000 0.991 613 S CB -0.170 63.016 63.200 -0.024 0.000 0.823 613 S HN 0.696 nan 8.310 nan 0.000 0.469 614 A N 2.223 125.023 122.820 -0.034 0.000 1.940 614 A HA -0.155 4.206 4.320 0.069 0.000 0.219 614 A C 1.960 179.512 177.584 -0.053 0.000 1.176 614 A CA 1.832 53.846 52.037 -0.039 0.000 0.631 614 A CB -0.860 18.114 19.000 -0.042 0.000 0.814 614 A HN 0.486 nan 8.150 nan 0.000 0.446 615 D N -0.292 120.069 120.400 -0.065 0.000 2.084 615 D HA -0.098 4.583 4.640 0.069 0.000 0.196 615 D C 1.955 178.223 176.300 -0.053 0.000 0.985 615 D CA 0.742 54.686 54.000 -0.093 0.000 0.826 615 D CB -0.407 40.331 40.800 -0.105 0.000 0.978 615 D HN 0.323 nan 8.370 nan 0.000 0.456 616 L N 0.260 121.465 121.223 -0.031 0.000 2.042 616 L HA -0.200 4.182 4.340 0.069 0.000 0.210 616 L C 2.334 179.201 176.870 -0.005 0.000 1.076 616 L CA 0.879 55.713 54.840 -0.010 0.000 0.749 616 L CB -0.217 41.836 42.059 -0.011 0.000 0.893 616 L HN 0.105 nan 8.230 nan 0.000 0.432 617 L N -0.262 120.954 121.223 -0.012 0.000 2.046 617 L HA -0.171 4.211 4.340 0.069 0.000 0.208 617 L C 2.689 179.558 176.870 -0.001 0.000 1.077 617 L CA 2.008 56.844 54.840 -0.007 0.000 0.747 617 L CB -0.710 41.342 42.059 -0.012 0.000 0.896 617 L HN 0.219 nan 8.230 nan 0.000 0.432 618 A N -0.719 122.096 122.820 -0.008 0.000 1.898 618 A HA -0.156 4.206 4.320 0.069 0.000 0.216 618 A C 2.252 179.855 177.584 0.030 0.000 1.181 618 A CA 1.715 53.753 52.037 0.003 0.000 0.620 618 A CB -0.744 18.245 19.000 -0.018 0.000 0.819 618 A HN 0.408 nan 8.150 nan 0.000 0.442 619 I N -0.272 120.321 120.570 0.038 0.000 2.127 619 I HA -0.292 3.920 4.170 0.069 0.000 0.241 619 I C 2.388 178.536 176.117 0.051 0.000 1.075 619 I CA 1.391 62.735 61.300 0.074 0.000 1.334 619 I CB -0.334 37.714 38.000 0.080 0.000 1.040 619 I HN 0.281 nan 8.210 nan 0.000 0.405 620 L N 0.361 121.604 121.223 0.033 0.000 2.109 620 L HA -0.182 4.200 4.340 0.069 0.000 0.207 620 L C 2.618 179.501 176.870 0.021 0.000 1.086 620 L CA 1.138 55.995 54.840 0.027 0.000 0.760 620 L CB -0.554 41.518 42.059 0.022 0.000 0.910 620 L HN 0.255 nan 8.230 nan 0.000 0.437 621 K N 0.747 121.158 120.400 0.019 0.000 2.057 621 K HA -0.184 4.177 4.320 0.069 0.000 0.207 621 K C 2.087 178.696 176.600 0.015 0.000 1.049 621 K CA 1.429 57.724 56.287 0.014 0.000 0.931 621 K CB -0.025 32.482 32.500 0.012 0.000 0.714 621 K HN 0.249 nan 8.250 nan 0.000 0.440 622 A N 1.335 124.169 122.820 0.024 0.000 1.897 622 A HA -0.033 4.329 4.320 0.069 0.000 0.215 622 A C 2.128 179.718 177.584 0.011 0.000 1.181 622 A CA 0.908 52.960 52.037 0.024 0.000 0.620 622 A CB -0.480 18.547 19.000 0.045 0.000 0.821 622 A HN 0.298 nan 8.150 nan 0.000 0.443 623 L N -0.515 120.716 121.223 0.012 0.000 2.046 623 L HA -0.205 4.177 4.340 0.069 0.000 0.208 623 L C 2.634 179.488 176.870 -0.027 0.000 1.077 623 L CA 1.940 56.776 54.840 -0.007 0.000 0.747 623 L CB -0.473 41.589 42.059 0.005 0.000 0.896 623 L HN 0.462 nan 8.230 nan 0.000 0.432 624 K N 0.512 120.906 120.400 -0.011 0.000 2.063 624 K HA -0.224 4.138 4.320 0.069 0.000 0.208 624 K C 2.110 178.697 176.600 -0.022 0.000 1.048 624 K CA 1.516 57.794 56.287 -0.015 0.000 0.928 624 K CB -0.122 32.379 32.500 0.002 0.000 0.713 624 K HN 0.281 nan 8.250 nan 0.000 0.442 625 A N 1.005 123.817 122.820 -0.013 0.000 2.024 625 A HA -0.131 4.231 4.320 0.069 0.000 0.220 625 A C 1.672 179.243 177.584 -0.022 0.000 1.164 625 A CA 1.429 53.459 52.037 -0.012 0.000 0.643 625 A CB -0.132 18.866 19.000 -0.003 0.000 0.806 625 A HN 0.206 nan 8.150 nan 0.000 0.451 626 K N -1.713 118.667 120.400 -0.033 0.000 2.358 626 K HA 0.211 4.572 4.320 0.069 0.000 0.200 626 K C 0.842 177.397 176.600 -0.075 0.000 1.030 626 K CA 0.605 56.867 56.287 -0.041 0.000 1.097 626 K CB 0.326 32.806 32.500 -0.034 0.000 0.862 626 K HN 0.676 nan 8.250 nan 0.000 0.534 627 G N 1.863 110.605 108.800 -0.097 0.000 2.176 627 G HA2 -0.222 3.779 3.960 0.069 0.000 0.252 627 G HA3 -0.222 3.779 3.960 0.069 0.000 0.252 627 G C 0.051 174.754 174.900 -0.327 0.000 1.024 627 G CA 0.126 45.124 45.100 -0.170 0.000 0.755 627 G HN 0.103 nan 8.290 nan 0.000 0.507 628 V N 0.903 120.662 119.914 -0.258 0.000 2.465 628 V HA 0.448 4.610 4.120 0.069 0.000 0.279 628 V C 0.852 176.769 176.094 -0.294 0.000 1.045 628 V CA -0.691 61.446 62.300 -0.271 0.000 0.938 628 V CB 0.909 32.669 31.823 -0.104 0.000 0.986 628 V HN 0.466 nan 8.190 nan 0.000 0.467 629 H N 1.968 121.049 119.070 0.018 0.000 2.505 629 H HA 0.726 5.324 4.556 0.070 0.000 0.355 629 H C 0.245 175.591 175.328 0.031 0.000 1.179 629 H CA 0.089 56.150 56.048 0.022 0.000 1.343 629 H CB 1.072 30.848 29.762 0.022 0.000 1.501 629 H HN 0.842 nan 8.280 nan 0.000 0.569 630 A N 1.386 124.304 122.820 0.163 0.000 2.401 630 A HA 0.527 4.889 4.320 0.069 0.000 0.310 630 A C -0.956 176.684 177.584 0.092 0.000 1.075 630 A CA -1.034 51.065 52.037 0.104 0.000 0.746 630 A CB 1.056 20.099 19.000 0.071 0.000 1.277 630 A HN 0.803 nan 8.150 nan 0.000 0.425 631 K N 2.321 122.769 120.400 0.079 0.000 2.376 631 K HA 0.679 5.040 4.320 0.069 0.000 0.257 631 K C -1.632 174.992 176.600 0.040 0.000 0.939 631 K CA -0.502 55.821 56.287 0.060 0.000 0.809 631 K CB 1.362 33.906 32.500 0.073 0.000 1.121 631 K HN 0.524 nan 8.250 nan 0.000 0.425 632 L N 4.297 125.534 121.223 0.023 0.000 2.260 632 L HA 0.333 4.714 4.340 0.069 0.000 0.289 632 L C -0.738 176.127 176.870 -0.008 0.000 1.057 632 L CA -1.098 53.748 54.840 0.009 0.000 0.811 632 L CB 0.486 42.544 42.059 -0.001 0.000 1.184 632 L HN 0.481 nan 8.230 nan 0.000 0.429 633 L N 4.222 125.439 121.223 -0.011 0.000 2.333 633 L HA 0.621 5.003 4.340 0.069 0.000 0.269 633 L C -0.494 176.292 176.870 -0.140 0.000 1.010 633 L CA -0.452 54.329 54.840 -0.098 0.000 0.818 633 L CB 1.600 43.612 42.059 -0.077 0.000 1.306 633 L HN 0.381 nan 8.230 nan 0.000 0.430 634 Y N -0.769 119.109 120.300 -0.702 0.000 2.900 634 Y HA 0.284 4.875 4.550 0.069 0.000 0.318 634 Y C 0.844 176.005 175.900 -1.232 0.000 1.457 634 Y CA -0.337 57.252 58.100 -0.852 0.000 1.082 634 Y CB 1.248 39.528 38.460 -0.299 0.000 1.419 634 Y HN 0.538 nan 8.280 nan 0.000 0.459 635 S N 0.703 115.579 115.700 -1.373 0.000 2.558 635 S HA 0.239 4.750 4.470 0.069 0.000 0.217 635 S C 0.106 174.462 174.600 -0.406 0.000 0.975 635 S CA 0.380 58.113 58.200 -0.778 0.000 0.912 635 S CB -0.207 62.680 63.200 -0.522 0.000 0.776 635 S HN 0.614 nan 8.310 nan 0.000 0.526 636 R N -1.179 119.165 120.500 -0.260 0.000 2.781 636 R HA 0.622 5.003 4.340 0.069 0.000 0.269 636 R C -0.799 175.507 176.300 0.010 0.000 1.025 636 R CA -1.107 54.956 56.100 -0.061 0.000 0.914 636 R CB 0.538 30.848 30.300 0.015 0.000 1.236 636 R HN -0.073 nan 8.270 nan 0.000 0.465 637 M N 0.175 119.777 119.600 0.003 0.000 2.012 637 M HA 0.464 4.985 4.480 0.069 0.000 0.248 637 M C 1.050 177.364 176.300 0.023 0.000 1.238 637 M CA 1.076 56.380 55.300 0.006 0.000 0.980 637 M CB 0.429 33.026 32.600 -0.005 0.000 1.346 637 M HN 1.054 nan 8.290 nan 0.000 0.511 638 G N 0.700 109.504 108.800 0.006 0.000 2.601 638 G HA2 -0.112 3.890 3.960 0.069 0.000 0.224 638 G HA3 -0.112 3.890 3.960 0.069 0.000 0.224 638 G C -0.777 174.111 174.900 -0.019 0.000 1.171 638 G CA 0.079 45.178 45.100 -0.001 0.000 1.009 638 G HN 0.959 nan 8.290 nan 0.000 0.589 639 E N -1.154 119.025 120.200 -0.035 0.000 2.429 639 E HA 0.705 5.097 4.350 0.069 0.000 0.276 639 E C -0.450 176.079 176.600 -0.118 0.000 0.953 639 E CA -0.569 55.790 56.400 -0.068 0.000 0.787 639 E CB 2.491 32.162 29.700 -0.049 0.000 1.307 639 E HN 1.695 nan 8.360 nan 0.000 0.458 640 V N -2.036 117.776 119.914 -0.170 0.000 3.126 640 V HA 0.728 4.890 4.120 0.069 0.000 0.314 640 V C -0.508 175.504 176.094 -0.137 0.000 1.138 640 V CA -0.715 61.456 62.300 -0.215 0.000 1.034 640 V CB 1.738 33.302 31.823 -0.431 0.000 1.075 640 V HN 0.751 nan 8.190 nan 0.000 0.442 641 T N 2.229 116.714 114.554 -0.115 0.000 2.792 641 T HA 0.768 5.159 4.350 0.069 0.000 0.280 641 T C 0.279 174.938 174.700 -0.068 0.000 0.990 641 T CA 0.312 62.367 62.100 -0.075 0.000 0.960 641 T CB 1.230 70.067 68.868 -0.051 0.000 0.939 641 T HN 1.360 nan 8.240 nan 0.000 0.439 642 A N 2.467 125.253 122.820 -0.056 0.000 2.366 642 A HA 0.272 4.633 4.320 0.069 0.000 0.250 642 A C 1.587 179.152 177.584 -0.033 0.000 1.099 642 A CA -0.192 51.818 52.037 -0.044 0.000 0.794 642 A CB 0.067 19.044 19.000 -0.037 0.000 1.056 642 A HN 0.923 nan 8.150 nan 0.000 0.499 643 D N 0.049 120.433 120.400 -0.027 0.000 2.182 643 D HA -0.190 4.491 4.640 0.069 0.000 0.201 643 D C 0.612 176.901 176.300 -0.020 0.000 0.986 643 D CA 1.565 55.553 54.000 -0.021 0.000 0.847 643 D CB -0.290 40.499 40.800 -0.018 0.000 0.942 643 D HN 0.606 nan 8.370 nan 0.000 0.467 644 D N -1.279 119.109 120.400 -0.021 0.000 2.395 644 D HA 0.214 4.896 4.640 0.069 0.000 0.226 644 D C 1.566 177.855 176.300 -0.018 0.000 1.146 644 D CA 0.295 54.284 54.000 -0.018 0.000 0.830 644 D CB -0.041 40.748 40.800 -0.018 0.000 0.958 644 D HN 0.363 nan 8.370 nan 0.000 0.501 645 G N 0.057 108.845 108.800 -0.021 0.000 2.253 645 G HA2 -0.287 3.714 3.960 0.069 0.000 0.251 645 G HA3 -0.287 3.714 3.960 0.069 0.000 0.251 645 G C 0.539 175.425 174.900 -0.023 0.000 0.998 645 G CA 0.303 45.390 45.100 -0.021 0.000 0.621 645 G HN 0.464 nan 8.290 nan 0.000 0.524 646 T N 1.378 115.918 114.554 -0.024 0.000 2.908 646 T HA 0.398 4.790 4.350 0.069 0.000 0.301 646 T C 0.512 175.192 174.700 -0.033 0.000 1.019 646 T CA 0.229 62.314 62.100 -0.025 0.000 1.152 646 T CB 2.175 71.028 68.868 -0.024 0.000 0.966 646 T HN 0.462 nan 8.240 nan 0.000 0.540 647 V N 5.181 125.076 119.914 -0.031 0.000 2.407 647 V HA 0.278 4.440 4.120 0.069 0.000 0.278 647 V C -0.348 175.722 176.094 -0.041 0.000 1.037 647 V CA -0.715 61.562 62.300 -0.039 0.000 0.900 647 V CB 1.138 32.942 31.823 -0.031 0.000 0.983 647 V HN 0.546 nan 8.190 nan 0.000 0.459 648 L N 9.003 130.192 121.223 -0.058 0.000 2.294 648 L HA 0.529 4.911 4.340 0.069 0.000 0.283 648 L C -2.271 174.561 176.870 -0.063 0.000 1.015 648 L CA -2.515 52.290 54.840 -0.058 0.000 0.831 648 L CB 1.562 43.576 42.059 -0.075 0.000 1.217 648 L HN 0.416 nan 8.230 nan 0.000 0.420 649 P HA 0.251 nan 4.420 nan 0.000 0.276 649 P C -0.255 177.024 177.300 -0.035 0.000 1.235 649 P CA -0.156 62.923 63.100 -0.035 0.000 0.772 649 P CB 0.846 32.534 31.700 -0.020 0.000 0.871 650 I N 2.453 123.002 120.570 -0.035 0.000 2.371 650 I HA 0.189 4.401 4.170 0.069 0.000 0.290 650 I C 1.604 177.710 176.117 -0.018 0.000 1.028 650 I CA -0.324 60.958 61.300 -0.029 0.000 1.345 650 I CB 1.351 39.340 38.000 -0.018 0.000 1.407 650 I HN 0.371 nan 8.210 nan 0.000 0.501 651 A N 5.359 128.170 122.820 -0.015 0.000 1.898 651 A HA 0.510 4.872 4.320 0.069 0.000 0.214 651 A C 0.989 178.568 177.584 -0.008 0.000 1.183 651 A CA 1.311 53.345 52.037 -0.004 0.000 0.622 651 A CB 0.002 19.007 19.000 0.009 0.000 0.824 651 A HN 0.805 nan 8.150 nan 0.000 0.444 652 A N -2.057 120.748 122.820 -0.025 0.000 2.586 652 A HA 0.587 4.949 4.320 0.069 0.000 0.290 652 A C -0.130 177.393 177.584 -0.102 0.000 1.086 652 A CA 0.105 52.123 52.037 -0.031 0.000 0.665 652 A CB -0.068 18.941 19.000 0.014 0.000 1.279 652 A HN 0.739 nan 8.150 nan 0.000 0.423 653 T N -1.572 112.915 114.554 -0.113 0.000 2.918 653 T HA 0.568 4.960 4.350 0.069 0.000 0.283 653 T C 0.982 175.603 174.700 -0.132 0.000 1.001 653 T CA -0.131 61.822 62.100 -0.245 0.000 1.041 653 T CB 0.186 68.965 68.868 -0.148 0.000 1.028 653 T HN 0.495 nan 8.240 nan 0.000 0.511 654 F N 0.825 120.790 119.950 0.025 0.000 2.085 654 F HA -0.180 4.389 4.527 0.069 0.000 0.299 654 F C 2.922 178.848 175.800 0.209 0.000 1.096 654 F CA 1.479 59.548 58.000 0.116 0.000 1.227 654 F CB -0.751 38.293 39.000 0.072 0.000 0.983 654 F HN 0.719 nan 8.300 nan 0.000 0.482 655 A N 0.020 122.997 122.820 0.262 0.000 1.970 655 A HA 0.107 4.469 4.320 0.069 0.000 0.216 655 A C 2.397 180.053 177.584 0.119 0.000 1.170 655 A CA 1.290 53.431 52.037 0.173 0.000 0.645 655 A CB -1.308 17.756 19.000 0.107 0.000 0.816 655 A HN 0.397 nan 8.150 nan 0.000 0.447 656 G N -0.899 107.956 108.800 0.091 0.000 2.464 656 G HA2 0.311 4.312 3.960 0.069 0.000 0.217 656 G HA3 0.311 4.312 3.960 0.069 0.000 0.217 656 G C 0.644 175.592 174.900 0.081 0.000 1.138 656 G CA 0.900 46.036 45.100 0.061 0.000 0.793 656 G HN 0.986 nan 8.290 nan 0.000 0.539 657 A N 1.238 124.139 122.820 0.134 0.000 2.978 657 A HA 0.690 5.051 4.320 0.069 0.000 0.341 657 A C -2.533 175.208 177.584 0.261 0.000 1.105 657 A CA -1.208 50.926 52.037 0.162 0.000 0.819 657 A CB 1.304 20.392 19.000 0.146 0.000 1.080 657 A HN 0.136 nan 8.150 nan 0.000 0.476 658 P HA 0.100 nan 4.420 nan 0.000 0.275 658 P C 1.251 178.420 177.300 -0.219 0.000 1.266 658 P CA 0.123 63.207 63.100 -0.025 0.000 0.793 658 P CB 0.793 32.453 31.700 -0.066 0.000 1.074 659 S N -0.181 115.045 115.700 -0.790 0.000 2.442 659 S HA -0.129 4.383 4.470 0.069 0.000 0.236 659 S C 1.847 176.309 174.600 -0.229 0.000 1.007 659 S CA 0.895 58.729 58.200 -0.609 0.000 0.965 659 S CB -1.056 61.654 63.200 -0.817 0.000 0.773 659 S HN 0.177 nan 8.310 nan 0.000 0.504 660 L N 2.742 123.836 121.223 -0.216 0.000 2.129 660 L HA -0.073 4.308 4.340 0.069 0.000 0.212 660 L C 2.769 179.490 176.870 -0.249 0.000 1.087 660 L CA 2.233 56.943 54.840 -0.218 0.000 0.757 660 L CB -2.330 39.574 42.059 -0.258 0.000 0.896 660 L HN 0.769 nan 8.230 nan 0.000 0.434 661 T N -3.763 110.717 114.554 -0.122 0.000 3.107 661 T HA 0.248 4.639 4.350 0.069 0.000 0.249 661 T C 0.479 175.277 174.700 0.164 0.000 1.096 661 T CA 0.258 62.364 62.100 0.010 0.000 1.012 661 T CB -0.353 68.597 68.868 0.137 0.000 0.977 661 T HN 0.070 nan 8.240 nan 0.000 0.527 662 V N -2.402 117.567 119.914 0.093 0.000 3.103 662 V HA 0.587 4.748 4.120 0.069 0.000 0.318 662 V C -0.146 175.995 176.094 0.079 0.000 1.114 662 V CA -0.944 61.431 62.300 0.125 0.000 1.020 662 V CB 2.109 34.020 31.823 0.148 0.000 1.085 662 V HN 0.008 nan 8.190 nan 0.000 0.446 663 D N 0.874 121.323 120.400 0.080 0.000 2.389 663 D HA 0.519 5.200 4.640 0.069 0.000 0.206 663 D C 0.515 176.807 176.300 -0.014 0.000 1.055 663 D CA 1.371 55.395 54.000 0.039 0.000 0.856 663 D CB 1.529 42.373 40.800 0.073 0.000 0.957 663 D HN 0.993 nan 8.370 nan 0.000 0.509 664 A N 0.092 122.917 122.820 0.008 0.000 2.586 664 A HA 0.532 4.894 4.320 0.069 0.000 0.291 664 A C -1.618 175.983 177.584 0.028 0.000 1.062 664 A CA -0.555 51.472 52.037 -0.017 0.000 0.666 664 A CB 1.380 20.358 19.000 -0.036 0.000 1.281 664 A HN -0.106 nan 8.150 nan 0.000 0.421 665 V N 0.974 120.898 119.914 0.017 0.000 2.709 665 V HA 0.634 4.795 4.120 0.069 0.000 0.308 665 V C -0.714 175.387 176.094 0.012 0.000 1.062 665 V CA -0.262 62.064 62.300 0.042 0.000 0.901 665 V CB 1.659 33.526 31.823 0.073 0.000 1.003 665 V HN 0.718 nan 8.190 nan 0.000 0.425 666 I N 3.762 124.345 120.570 0.023 0.000 2.545 666 I HA 0.571 4.783 4.170 0.069 0.000 0.292 666 I C -0.994 175.150 176.117 0.046 0.000 1.040 666 I CA -0.972 60.367 61.300 0.064 0.000 1.068 666 I CB 2.402 40.470 38.000 0.114 0.000 1.251 666 I HN 0.271 nan 8.210 nan 0.000 0.424 667 V N 7.225 127.184 119.914 0.074 0.000 2.350 667 V HA 0.375 4.536 4.120 0.069 0.000 0.285 667 V C -2.120 174.033 176.094 0.099 0.000 1.014 667 V CA -1.524 60.808 62.300 0.052 0.000 0.831 667 V CB 1.383 33.216 31.823 0.017 0.000 1.000 667 V HN 0.558 nan 8.190 nan 0.000 0.433 668 P HA 0.259 nan 4.420 nan 0.000 0.276 668 P C 0.199 177.522 177.300 0.039 0.000 1.261 668 P CA -0.363 62.754 63.100 0.027 0.000 0.800 668 P CB 1.171 32.877 31.700 0.010 0.000 1.066 669 C N -0.550 118.750 119.300 0.000 0.000 2.711 669 C HA 0.688 5.190 4.460 0.069 0.000 0.306 669 C C 1.371 176.372 174.990 0.019 0.000 1.479 669 C CA 1.630 60.655 59.018 0.011 0.000 2.271 669 C CB -0.671 27.055 27.740 -0.023 0.000 2.155 669 C HN 0.936 nan 8.230 nan 0.000 0.674 670 G N 0.571 109.381 108.800 0.016 0.000 2.233 670 G HA2 -0.056 3.945 3.960 0.069 0.000 0.162 670 G HA3 -0.056 3.945 3.960 0.069 0.000 0.162 670 G C -0.600 174.314 174.900 0.024 0.000 1.327 670 G CA -0.005 45.104 45.100 0.015 0.000 1.187 670 G HN 0.944 nan 8.290 nan 0.000 0.479 671 N N 1.617 120.338 118.700 0.035 0.000 2.895 671 N HA 0.174 4.955 4.740 0.069 0.000 0.277 671 N C 1.502 177.049 175.510 0.063 0.000 1.185 671 N CA -0.614 52.461 53.050 0.040 0.000 1.106 671 N CB -0.145 38.369 38.487 0.045 0.000 1.422 671 N HN 0.367 nan 8.380 nan 0.000 0.521 672 I N 1.855 122.451 120.570 0.043 0.000 2.286 672 I HA -0.234 3.978 4.170 0.069 0.000 0.248 672 I C 2.478 178.604 176.117 0.015 0.000 1.115 672 I CA 0.814 62.141 61.300 0.046 0.000 1.392 672 I CB -1.500 36.490 38.000 -0.017 0.000 1.065 672 I HN 0.460 nan 8.210 nan 0.000 0.418 673 A N 0.741 123.556 122.820 -0.008 0.000 2.032 673 A HA -0.302 4.060 4.320 0.069 0.000 0.221 673 A C 2.062 179.664 177.584 0.031 0.000 1.165 673 A CA 2.175 54.205 52.037 -0.012 0.000 0.645 673 A CB -0.803 18.189 19.000 -0.013 0.000 0.807 673 A HN 0.471 nan 8.150 nan 0.000 0.453 674 D N 0.394 120.839 120.400 0.075 0.000 2.123 674 D HA -0.172 4.509 4.640 0.069 0.000 0.196 674 D C 1.600 177.980 176.300 0.133 0.000 0.992 674 D CA 1.955 56.028 54.000 0.121 0.000 0.833 674 D CB -0.222 40.688 40.800 0.184 0.000 0.954 674 D HN 0.660 nan 8.370 nan 0.000 0.455 675 I N -3.916 116.752 120.570 0.162 0.000 4.187 675 I HA 0.453 4.664 4.170 0.069 0.000 0.326 675 I C 2.081 178.318 176.117 0.200 0.000 1.302 675 I CA 0.116 61.530 61.300 0.191 0.000 1.196 675 I CB -0.156 37.998 38.000 0.256 0.000 1.095 675 I HN -0.071 nan 8.210 nan 0.000 0.411 676 A N 1.911 124.771 122.820 0.067 0.000 1.971 676 A HA -0.248 4.113 4.320 0.069 0.000 0.222 676 A C 1.537 179.095 177.584 -0.043 0.000 1.182 676 A CA 2.497 54.439 52.037 -0.157 0.000 0.649 676 A CB -0.633 18.230 19.000 -0.227 0.000 0.818 676 A HN 0.618 nan 8.150 nan 0.000 0.458 677 D N -1.060 119.345 120.400 0.008 0.000 2.538 677 D HA 0.050 4.732 4.640 0.069 0.000 0.231 677 D C -0.244 176.079 176.300 0.038 0.000 1.229 677 D CA -0.278 53.732 54.000 0.017 0.000 0.828 677 D CB -0.240 40.558 40.800 -0.002 0.000 1.035 677 D HN 0.343 nan 8.370 nan 0.000 0.495 678 N N 1.255 119.990 118.700 0.058 0.000 2.405 678 N HA 0.024 4.805 4.740 0.069 0.000 0.260 678 N C 1.396 176.930 175.510 0.040 0.000 1.152 678 N CA 0.020 53.099 53.050 0.048 0.000 0.948 678 N CB 1.380 39.895 38.487 0.046 0.000 1.111 678 N HN 0.042 nan 8.380 nan 0.000 0.485 679 G N 3.427 112.253 108.800 0.044 0.000 2.469 679 G HA2 -0.275 3.726 3.960 0.069 0.000 0.219 679 G HA3 -0.275 3.726 3.960 0.069 0.000 0.219 679 G C 1.035 175.979 174.900 0.074 0.000 1.150 679 G CA 0.560 45.692 45.100 0.052 0.000 0.763 679 G HN 0.569 nan 8.290 nan 0.000 0.561 680 D N 0.767 121.212 120.400 0.074 0.000 2.117 680 D HA -0.005 4.677 4.640 0.069 0.000 0.197 680 D C 2.822 179.112 176.300 -0.017 0.000 0.987 680 D CA 1.208 55.286 54.000 0.130 0.000 0.829 680 D CB -0.414 40.526 40.800 0.234 0.000 0.961 680 D HN 0.303 nan 8.370 nan 0.000 0.460 681 A N 1.031 123.658 122.820 -0.320 0.000 1.873 681 A HA -0.183 4.178 4.320 0.069 0.000 0.215 681 A C 2.028 179.403 177.584 -0.348 0.000 1.186 681 A CA 1.250 52.869 52.037 -0.696 0.000 0.616 681 A CB -0.511 18.005 19.000 -0.808 0.000 0.823 681 A HN 0.145 nan 8.150 nan 0.000 0.442 682 N N -1.256 117.388 118.700 -0.094 0.000 2.036 682 N HA -0.224 4.558 4.740 0.069 0.000 0.195 682 N C 1.701 177.212 175.510 0.002 0.000 1.037 682 N CA 1.977 55.038 53.050 0.019 0.000 0.855 682 N CB -0.590 37.971 38.487 0.123 0.000 1.033 682 N HN 0.689 nan 8.380 nan 0.000 0.423 683 Y N 0.463 120.732 120.300 -0.052 0.000 2.207 683 Y HA -0.298 4.294 4.550 0.069 0.000 0.287 683 Y C 2.440 178.296 175.900 -0.074 0.000 1.156 683 Y CA 1.314 59.382 58.100 -0.055 0.000 1.182 683 Y CB -0.359 38.077 38.460 -0.041 0.000 0.979 683 Y HN 0.051 nan 8.280 nan 0.000 0.521 684 Y N -0.151 120.001 120.300 -0.246 0.000 2.114 684 Y HA -0.333 4.258 4.550 0.069 0.000 0.282 684 Y C 2.095 177.795 175.900 -0.333 0.000 1.165 684 Y CA 1.766 59.695 58.100 -0.285 0.000 1.148 684 Y CB -0.403 37.901 38.460 -0.260 0.000 0.972 684 Y HN 0.114 nan 8.280 nan 0.000 0.504 685 L N -0.679 120.472 121.223 -0.121 0.000 2.109 685 L HA -0.210 4.172 4.340 0.069 0.000 0.207 685 L C 2.298 179.061 176.870 -0.179 0.000 1.086 685 L CA 1.635 56.392 54.840 -0.139 0.000 0.760 685 L CB -1.406 40.542 42.059 -0.186 0.000 0.910 685 L HN 0.393 nan 8.230 nan 0.000 0.437 686 M N -0.702 118.749 119.600 -0.249 0.000 2.117 686 M HA -0.236 4.285 4.480 0.069 0.000 0.262 686 M C 2.154 178.235 176.300 -0.364 0.000 1.065 686 M CA 1.606 56.760 55.300 -0.243 0.000 1.114 686 M CB -0.362 32.109 32.600 -0.215 0.000 1.361 686 M HN 0.249 nan 8.290 nan 0.000 0.408 687 E N 0.529 120.326 120.200 -0.671 0.000 2.047 687 E HA -0.176 4.215 4.350 0.069 0.000 0.191 687 E C 2.013 178.248 176.600 -0.609 0.000 0.987 687 E CA 1.300 57.239 56.400 -0.769 0.000 0.799 687 E CB 0.011 29.180 29.700 -0.884 0.000 0.752 687 E HN 0.474 nan 8.360 nan 0.000 0.449 688 A N 0.110 122.693 122.820 -0.395 0.000 1.972 688 A HA -0.194 4.167 4.320 0.069 0.000 0.219 688 A C 1.994 179.473 177.584 -0.175 0.000 1.169 688 A CA 1.359 53.258 52.037 -0.231 0.000 0.635 688 A CB -0.777 18.145 19.000 -0.130 0.000 0.810 688 A HN 0.555 nan 8.150 nan 0.000 0.446 689 Y N 0.421 120.560 120.300 -0.268 0.000 2.163 689 Y HA -0.155 4.436 4.550 0.069 0.000 0.288 689 Y C 2.361 178.136 175.900 -0.209 0.000 1.136 689 Y CA 2.223 60.200 58.100 -0.205 0.000 1.147 689 Y CB -0.255 38.105 38.460 -0.167 0.000 0.987 689 Y HN 0.284 nan 8.280 nan 0.000 0.509 690 K N -0.526 119.752 120.400 -0.203 0.000 2.074 690 K HA -0.259 4.102 4.320 0.069 0.000 0.209 690 K C 1.143 177.612 176.600 -0.219 0.000 1.048 690 K CA 2.218 58.351 56.287 -0.257 0.000 0.926 690 K CB -0.454 31.835 32.500 -0.353 0.000 0.713 690 K HN 0.593 nan 8.250 nan 0.000 0.444 691 H N 0.029 118.979 119.070 -0.200 0.000 2.536 691 H HA 0.182 4.780 4.556 0.069 0.000 0.276 691 H C -0.040 175.127 175.328 -0.269 0.000 1.019 691 H CA 0.214 56.141 56.048 -0.202 0.000 1.159 691 H CB 0.131 29.772 29.762 -0.202 0.000 1.373 691 H HN 0.132 nan 8.280 nan 0.000 0.584 692 L N -0.116 120.957 121.223 -0.249 0.000 4.140 692 L HA -0.265 4.117 4.340 0.069 0.000 0.406 692 L C -0.395 176.217 176.870 -0.429 0.000 1.175 692 L CA 0.541 55.142 54.840 -0.397 0.000 0.939 692 L CB -1.732 40.067 42.059 -0.433 0.000 2.105 692 L HN 0.296 nan 8.230 nan 0.000 0.803 693 K N 0.994 121.210 120.400 -0.307 0.000 2.174 693 K HA 0.468 4.830 4.320 0.069 0.000 0.275 693 K C -2.137 174.331 176.600 -0.220 0.000 1.015 693 K CA -1.808 54.319 56.287 -0.265 0.000 0.933 693 K CB 0.684 33.083 32.500 -0.169 0.000 1.025 693 K HN -0.213 nan 8.250 nan 0.000 0.463 694 P HA 0.020 nan 4.420 nan 0.000 0.265 694 P C -0.750 176.485 177.300 -0.109 0.000 1.193 694 P CA 0.476 63.476 63.100 -0.167 0.000 0.765 694 P CB 0.402 32.003 31.700 -0.165 0.000 0.823 695 I N 1.726 122.244 120.570 -0.087 0.000 2.533 695 I HA 0.621 4.833 4.170 0.069 0.000 0.290 695 I C -0.399 175.668 176.117 -0.082 0.000 1.056 695 I CA -0.879 60.389 61.300 -0.053 0.000 1.057 695 I CB 2.288 40.286 38.000 -0.004 0.000 1.240 695 I HN 0.250 nan 8.210 nan 0.000 0.423 696 A N 7.546 130.322 122.820 -0.073 0.000 2.343 696 A HA 0.887 5.248 4.320 0.069 0.000 0.308 696 A C -1.141 176.528 177.584 0.142 0.000 1.092 696 A CA -0.440 51.522 52.037 -0.125 0.000 0.751 696 A CB 1.107 19.866 19.000 -0.402 0.000 1.203 696 A HN 0.671 nan 8.150 nan 0.000 0.452 697 L N 2.284 123.654 121.223 0.245 0.000 2.349 697 L HA 0.698 5.079 4.340 0.069 0.000 0.278 697 L C 0.284 177.376 176.870 0.371 0.000 0.996 697 L CA -0.589 54.420 54.840 0.282 0.000 0.825 697 L CB 1.929 44.095 42.059 0.179 0.000 1.243 697 L HN 0.788 nan 8.230 nan 0.000 0.412 698 A N 2.407 125.348 122.820 0.202 0.000 2.305 698 A HA 0.819 5.181 4.320 0.069 0.000 0.322 698 A C 0.734 178.311 177.584 -0.011 0.000 1.187 698 A CA 0.378 52.386 52.037 -0.049 0.000 0.825 698 A CB 1.044 19.831 19.000 -0.355 0.000 1.164 698 A HN 0.996 nan 8.150 nan 0.000 0.498 699 G N 2.179 110.964 108.800 -0.024 0.000 2.622 699 G HA2 -0.351 3.650 3.960 0.069 0.000 0.307 699 G HA3 -0.351 3.650 3.960 0.069 0.000 0.307 699 G C 0.533 175.437 174.900 0.007 0.000 1.226 699 G CA 0.858 45.948 45.100 -0.017 0.000 0.997 699 G HN 0.692 nan 8.290 nan 0.000 0.551 700 D N 1.285 121.685 120.400 0.001 0.000 2.264 700 D HA 0.180 4.862 4.640 0.069 0.000 0.208 700 D C 2.644 178.949 176.300 0.008 0.000 0.966 700 D CA 1.655 55.650 54.000 -0.008 0.000 0.864 700 D CB -0.739 40.049 40.800 -0.020 0.000 0.933 700 D HN 0.828 nan 8.370 nan 0.000 0.499 701 A N 0.836 123.704 122.820 0.079 0.000 2.139 701 A HA -0.216 4.145 4.320 0.069 0.000 0.221 701 A C 2.018 179.719 177.584 0.196 0.000 1.159 701 A CA 0.984 53.148 52.037 0.213 0.000 0.662 701 A CB -0.535 18.602 19.000 0.227 0.000 0.796 701 A HN 0.156 nan 8.150 nan 0.000 0.463 702 R N -0.419 120.139 120.500 0.097 0.000 2.341 702 R HA -0.048 4.334 4.340 0.069 0.000 0.213 702 R C 1.609 177.919 176.300 0.016 0.000 1.082 702 R CA 0.963 57.106 56.100 0.072 0.000 1.017 702 R CB -0.125 30.205 30.300 0.050 0.000 0.860 702 R HN 0.501 nan 8.270 nan 0.000 0.473 703 K N -0.285 120.080 120.400 -0.058 0.000 2.288 703 K HA -0.071 4.290 4.320 0.069 0.000 0.201 703 K C 1.175 177.658 176.600 -0.194 0.000 1.048 703 K CA 0.927 57.119 56.287 -0.158 0.000 0.956 703 K CB 0.047 32.397 32.500 -0.249 0.000 0.746 703 K HN 0.181 nan 8.250 nan 0.000 0.461 704 F N 1.551 121.478 119.950 -0.039 0.000 2.546 704 F HA -0.085 4.484 4.527 0.070 0.000 0.298 704 F C 1.986 177.740 175.800 -0.078 0.000 1.120 704 F CA 0.781 58.746 58.000 -0.058 0.000 1.456 704 F CB -0.056 38.909 39.000 -0.059 0.000 1.088 704 F HN -0.077 nan 8.300 nan 0.000 0.572 705 K N 0.316 120.757 120.400 0.068 0.000 2.173 705 K HA -0.238 4.123 4.320 0.069 0.000 0.207 705 K C 2.281 178.853 176.600 -0.046 0.000 1.046 705 K CA 1.254 57.537 56.287 -0.008 0.000 0.929 705 K CB -0.331 32.162 32.500 -0.012 0.000 0.720 705 K HN 0.293 nan 8.250 nan 0.000 0.453 706 A N 0.095 122.892 122.820 -0.039 0.000 1.968 706 A HA -0.133 4.229 4.320 0.069 0.000 0.217 706 A C 2.154 179.709 177.584 -0.049 0.000 1.169 706 A CA 1.882 53.888 52.037 -0.051 0.000 0.638 706 A CB -0.684 18.283 19.000 -0.055 0.000 0.812 706 A HN 0.304 nan 8.150 nan 0.000 0.446 707 T N 0.106 114.650 114.554 -0.016 0.000 2.962 707 T HA -0.025 4.366 4.350 0.069 0.000 0.270 707 T C 1.183 175.830 174.700 -0.087 0.000 1.088 707 T CA 1.441 63.535 62.100 -0.010 0.000 1.127 707 T CB -0.589 68.325 68.868 0.076 0.000 0.883 707 T HN 0.583 nan 8.240 nan 0.000 0.493 708 I N -2.322 118.145 120.570 -0.172 0.000 3.927 708 I HA 0.487 4.699 4.170 0.069 0.000 0.332 708 I C 0.284 176.162 176.117 -0.398 0.000 1.485 708 I CA -0.639 60.428 61.300 -0.389 0.000 1.131 708 I CB -0.056 37.543 38.000 -0.669 0.000 1.092 708 I HN -0.095 nan 8.210 nan 0.000 0.410 709 K N 1.804 122.083 120.400 -0.201 0.000 3.077 709 K HA -0.120 4.242 4.320 0.069 0.000 0.264 709 K C -0.325 176.200 176.600 -0.125 0.000 1.008 709 K CA 0.466 56.675 56.287 -0.131 0.000 0.740 709 K CB -1.097 31.351 32.500 -0.088 0.000 1.273 709 K HN 0.405 nan 8.250 nan 0.000 0.477 710 I N 0.739 121.227 120.570 -0.136 0.000 2.395 710 I HA 0.270 4.481 4.170 0.069 0.000 0.289 710 I C 1.386 177.478 176.117 -0.043 0.000 1.023 710 I CA -0.530 60.720 61.300 -0.084 0.000 1.350 710 I CB 0.535 38.486 38.000 -0.082 0.000 1.409 710 I HN 0.239 nan 8.210 nan 0.000 0.507 711 A N 5.077 127.884 122.820 -0.021 0.000 2.346 711 A HA 0.170 4.532 4.320 0.069 0.000 0.252 711 A C 0.981 178.560 177.584 -0.008 0.000 1.089 711 A CA -0.253 51.777 52.037 -0.012 0.000 0.797 711 A CB 0.194 19.192 19.000 -0.003 0.000 1.047 711 A HN 0.745 nan 8.150 nan 0.000 0.494 712 D N -0.071 120.325 120.400 -0.006 0.000 2.144 712 D HA -0.159 4.522 4.640 0.069 0.000 0.200 712 D C 2.032 178.334 176.300 0.002 0.000 0.978 712 D CA 1.903 55.901 54.000 -0.003 0.000 0.833 712 D CB -0.208 40.589 40.800 -0.004 0.000 0.961 712 D HN 0.794 nan 8.370 nan 0.000 0.470 713 Q N 0.511 120.312 119.800 0.003 0.000 2.500 713 Q HA 0.136 4.517 4.340 0.069 0.000 0.213 713 Q C 1.073 177.077 176.000 0.007 0.000 0.974 713 Q CA 0.802 56.608 55.803 0.005 0.000 0.918 713 Q CB -0.117 28.624 28.738 0.005 0.000 0.980 713 Q HN 0.110 nan 8.270 nan 0.000 0.505 714 G N 1.616 110.420 108.800 0.006 0.000 2.741 714 G HA2 -0.267 3.734 3.960 0.069 0.000 0.222 714 G HA3 -0.267 3.734 3.960 0.069 0.000 0.222 714 G C -0.891 174.014 174.900 0.009 0.000 1.364 714 G CA -0.130 44.974 45.100 0.008 0.000 0.866 714 G HN 0.692 nan 8.290 nan 0.000 0.555 715 E N -1.243 118.964 120.200 0.011 0.000 2.407 715 E HA 0.546 4.937 4.350 0.069 0.000 0.279 715 E C -0.895 175.704 176.600 -0.001 0.000 1.012 715 E CA -1.062 55.346 56.400 0.013 0.000 0.800 715 E CB 1.232 30.954 29.700 0.036 0.000 1.276 715 E HN 0.432 nan 8.360 nan 0.000 0.452 716 E N 0.653 120.845 120.200 -0.014 0.000 2.417 716 E HA 0.236 4.628 4.350 0.069 0.000 0.261 716 E C 0.808 177.372 176.600 -0.060 0.000 1.000 716 E CA 1.529 57.906 56.400 -0.039 0.000 0.919 716 E CB 1.006 30.682 29.700 -0.041 0.000 0.955 716 E HN 0.930 nan 8.360 nan 0.000 0.455 717 G N 3.050 111.800 108.800 -0.084 0.000 2.213 717 G HA2 -0.201 3.801 3.960 0.069 0.000 0.226 717 G HA3 -0.201 3.801 3.960 0.069 0.000 0.226 717 G C 0.155 175.006 174.900 -0.081 0.000 0.992 717 G CA -0.378 44.652 45.100 -0.116 0.000 0.632 717 G HN 0.422 nan 8.290 nan 0.000 0.511 718 I N 2.119 122.664 120.570 -0.042 0.000 2.354 718 I HA 0.479 4.691 4.170 0.069 0.000 0.286 718 I C 0.393 176.468 176.117 -0.069 0.000 1.007 718 I CA -1.065 60.216 61.300 -0.030 0.000 1.167 718 I CB 1.302 39.314 38.000 0.020 0.000 1.320 718 I HN -0.110 nan 8.210 nan 0.000 0.458 719 V N 7.476 127.306 119.914 -0.139 0.000 2.465 719 V HA 0.369 4.530 4.120 0.069 0.000 0.279 719 V C 0.240 176.260 176.094 -0.122 0.000 1.045 719 V CA -0.392 61.774 62.300 -0.223 0.000 0.938 719 V CB 1.309 32.829 31.823 -0.505 0.000 0.986 719 V HN 0.865 nan 8.190 nan 0.000 0.467 720 E N 4.381 124.596 120.200 0.025 0.000 2.343 720 E HA 0.880 5.271 4.350 0.069 0.000 0.278 720 E C -1.014 175.745 176.600 0.264 0.000 0.910 720 E CA -0.961 55.557 56.400 0.197 0.000 0.757 720 E CB 2.595 32.360 29.700 0.109 0.000 1.218 720 E HN 0.784 nan 8.360 nan 0.000 0.435 721 A N 1.845 124.847 122.820 0.305 0.000 2.566 721 A HA 0.338 4.700 4.320 0.069 0.000 0.290 721 A C -0.520 177.087 177.584 0.037 0.000 1.071 721 A CA -0.595 51.541 52.037 0.165 0.000 0.658 721 A CB 1.167 20.301 19.000 0.223 0.000 1.285 721 A HN 0.612 nan 8.150 nan 0.000 0.427 722 D N 0.481 120.880 120.400 -0.001 0.000 2.178 722 D HA 0.024 4.706 4.640 0.069 0.000 0.201 722 D C 1.054 177.297 176.300 -0.095 0.000 0.980 722 D CA 2.283 56.263 54.000 -0.035 0.000 0.842 722 D CB 0.078 40.863 40.800 -0.024 0.000 0.948 722 D HN 0.765 nan 8.370 nan 0.000 0.472 723 S N -1.714 113.893 115.700 -0.155 0.000 2.618 723 S HA 0.649 5.160 4.470 0.069 0.000 0.277 723 S C 0.170 174.480 174.600 -0.484 0.000 1.138 723 S CA -0.459 57.595 58.200 -0.244 0.000 0.844 723 S CB 2.140 65.250 63.200 -0.150 0.000 1.127 723 S HN -0.040 nan 8.310 nan 0.000 0.474 724 A N 0.430 122.911 122.820 -0.565 0.000 2.291 724 A HA 0.339 4.701 4.320 0.069 0.000 0.220 724 A C 0.369 177.775 177.584 -0.296 0.000 1.262 724 A CA 0.420 51.972 52.037 -0.808 0.000 0.867 724 A CB -0.824 17.821 19.000 -0.592 0.000 0.888 724 A HN 0.758 nan 8.150 nan 0.000 0.487 725 D N -2.518 117.788 120.400 -0.157 0.000 2.947 725 D HA 0.506 5.187 4.640 0.069 0.000 0.211 725 D C 1.491 177.810 176.300 0.033 0.000 1.326 725 D CA 0.851 54.843 54.000 -0.014 0.000 1.095 725 D CB -0.125 40.687 40.800 0.019 0.000 1.206 725 D HN 0.369 nan 8.370 nan 0.000 0.619 726 G N 0.437 109.256 108.800 0.031 0.000 2.665 726 G HA2 -0.315 3.687 3.960 0.069 0.000 0.326 726 G HA3 -0.315 3.687 3.960 0.069 0.000 0.326 726 G C 0.769 175.714 174.900 0.075 0.000 1.231 726 G CA 1.769 46.896 45.100 0.044 0.000 0.992 726 G HN 0.893 nan 8.290 nan 0.000 0.549 727 S N 0.056 115.810 115.700 0.091 0.000 2.597 727 S HA 0.439 4.951 4.470 0.069 0.000 0.224 727 S C 1.598 176.277 174.600 0.132 0.000 0.955 727 S CA 0.918 59.170 58.200 0.088 0.000 0.933 727 S CB 0.126 63.359 63.200 0.055 0.000 0.788 727 S HN 0.968 nan 8.310 nan 0.000 0.488 728 F N 2.282 122.231 119.950 -0.003 0.000 2.146 728 F HA 0.119 4.687 4.527 0.069 0.000 0.298 728 F C 2.051 177.848 175.800 -0.005 0.000 1.096 728 F CA 1.281 59.279 58.000 -0.003 0.000 1.275 728 F CB -0.156 38.843 39.000 -0.001 0.000 1.008 728 F HN 0.162 nan 8.300 nan 0.000 0.480 729 M N -0.090 119.661 119.600 0.250 0.000 2.288 729 M HA -0.098 4.424 4.480 0.069 0.000 0.266 729 M C 1.654 177.965 176.300 0.017 0.000 1.072 729 M CA 1.014 56.383 55.300 0.114 0.000 1.132 729 M CB -1.186 31.505 32.600 0.153 0.000 1.386 729 M HN 0.086 nan 8.290 nan 0.000 0.432 730 D N 0.897 121.314 120.400 0.029 0.000 2.123 730 D HA -0.153 4.529 4.640 0.069 0.000 0.196 730 D C 1.936 178.216 176.300 -0.033 0.000 0.992 730 D CA 1.224 55.225 54.000 0.002 0.000 0.833 730 D CB -0.066 40.742 40.800 0.014 0.000 0.954 730 D HN 0.455 nan 8.370 nan 0.000 0.455 731 E N 0.285 120.452 120.200 -0.055 0.000 2.058 731 E HA -0.148 4.244 4.350 0.069 0.000 0.194 731 E C 2.146 178.663 176.600 -0.138 0.000 0.997 731 E CA 0.300 56.642 56.400 -0.097 0.000 0.801 731 E CB -0.087 29.541 29.700 -0.121 0.000 0.746 731 E HN 0.183 nan 8.360 nan 0.000 0.450 732 L N 0.991 122.097 121.223 -0.195 0.000 2.017 732 L HA -0.177 4.204 4.340 0.069 0.000 0.208 732 L C 2.134 178.937 176.870 -0.112 0.000 1.073 732 L CA 1.355 56.078 54.840 -0.194 0.000 0.745 732 L CB -0.393 41.519 42.059 -0.246 0.000 0.894 732 L HN 0.227 nan 8.230 nan 0.000 0.432 733 L N -0.078 121.100 121.223 -0.075 0.000 2.131 733 L HA -0.179 4.203 4.340 0.069 0.000 0.210 733 L C 2.624 179.470 176.870 -0.041 0.000 1.092 733 L CA 1.714 56.526 54.840 -0.046 0.000 0.759 733 L CB -1.903 40.141 42.059 -0.026 0.000 0.903 733 L HN 0.274 nan 8.230 nan 0.000 0.435 734 T N -0.189 114.338 114.554 -0.046 0.000 2.821 734 T HA -0.112 4.279 4.350 0.069 0.000 0.267 734 T C 2.113 176.781 174.700 -0.053 0.000 1.046 734 T CA 0.835 62.913 62.100 -0.037 0.000 1.139 734 T CB -0.111 68.736 68.868 -0.035 0.000 0.871 734 T HN 0.204 nan 8.240 nan 0.000 0.454 735 L N 0.251 121.424 121.223 -0.084 0.000 2.083 735 L HA -0.063 4.319 4.340 0.069 0.000 0.209 735 L C 2.648 179.452 176.870 -0.109 0.000 1.083 735 L CA 1.256 56.026 54.840 -0.117 0.000 0.752 735 L CB -0.532 41.438 42.059 -0.149 0.000 0.899 735 L HN 0.307 nan 8.230 nan 0.000 0.433 736 M N -0.760 118.793 119.600 -0.078 0.000 2.175 736 M HA -0.146 4.376 4.480 0.069 0.000 0.264 736 M C 2.461 178.763 176.300 0.003 0.000 1.063 736 M CA 1.631 56.904 55.300 -0.046 0.000 1.119 736 M CB -0.432 32.150 32.600 -0.030 0.000 1.377 736 M HN 0.305 nan 8.290 nan 0.000 0.415 737 A N 0.229 123.051 122.820 0.004 0.000 2.019 737 A HA 0.039 4.401 4.320 0.069 0.000 0.219 737 A C 2.102 179.728 177.584 0.071 0.000 1.164 737 A CA 1.692 53.752 52.037 0.038 0.000 0.644 737 A CB -0.621 18.396 19.000 0.028 0.000 0.805 737 A HN 0.499 nan 8.150 nan 0.000 0.449 738 A N -2.656 120.184 122.820 0.034 0.000 2.307 738 A HA 0.377 4.738 4.320 0.069 0.000 0.218 738 A C 0.897 178.501 177.584 0.034 0.000 1.228 738 A CA 1.169 53.238 52.037 0.054 0.000 0.857 738 A CB -0.453 18.538 19.000 -0.016 0.000 0.897 738 A HN 0.926 nan 8.150 nan 0.000 0.495 739 H N -1.146 117.863 119.070 -0.102 0.000 4.856 739 H HA -0.186 4.412 4.556 0.069 0.000 0.059 739 H C 0.054 175.160 175.328 -0.370 0.000 0.596 739 H CA 2.384 58.353 56.048 -0.132 0.000 0.946 739 H CB -0.601 29.187 29.762 0.043 0.000 0.453 739 H HN 0.452 nan 8.280 nan 0.000 0.801 740 R N -0.245 119.666 120.500 -0.983 0.000 2.867 740 R HA 0.625 5.006 4.340 0.069 0.000 0.268 740 R C -0.604 174.849 176.300 -1.411 0.000 1.014 740 R CA -0.314 54.969 56.100 -1.361 0.000 0.946 740 R CB 1.727 30.888 30.300 -1.899 0.000 1.208 740 R HN 0.093 nan 8.270 nan 0.000 0.477 741 V N 2.368 121.679 119.914 -1.005 0.000 2.221 741 V HA 0.106 4.268 4.120 0.069 0.000 0.258 741 V C 0.639 176.353 176.094 -0.632 0.000 1.179 741 V CA -0.440 61.444 62.300 -0.693 0.000 1.022 741 V CB -0.288 31.273 31.823 -0.437 0.000 1.228 741 V HN 0.715 nan 8.190 nan 0.000 0.487 742 W N 1.570 122.591 121.300 -0.465 0.000 2.392 742 W HA -0.168 4.533 4.660 0.069 0.000 0.279 742 W C 2.490 178.787 176.519 -0.369 0.000 1.225 742 W CA 0.851 57.825 57.345 -0.620 0.000 1.233 742 W CB -0.410 28.258 29.460 -1.319 0.000 1.122 742 W HN 0.648 nan 8.180 nan 0.000 0.561 743 S N 0.588 116.229 115.700 -0.099 0.000 2.474 743 S HA -0.120 4.391 4.470 0.069 0.000 0.235 743 S C 1.722 176.283 174.600 -0.066 0.000 0.997 743 S CA 0.776 58.946 58.200 -0.050 0.000 0.949 743 S CB -0.403 62.769 63.200 -0.046 0.000 0.766 743 S HN 0.391 nan 8.310 nan 0.000 0.517 744 R N 0.841 121.259 120.500 -0.135 0.000 2.235 744 R HA 0.170 4.551 4.340 0.069 0.000 0.213 744 R C 1.885 178.118 176.300 -0.110 0.000 1.059 744 R CA 0.718 56.718 56.100 -0.167 0.000 0.997 744 R CB -0.426 29.663 30.300 -0.351 0.000 0.884 744 R HN 0.481 nan 8.270 nan 0.000 0.462 745 I N 1.519 122.061 120.570 -0.048 0.000 2.151 745 I HA -0.256 3.956 4.170 0.069 0.000 0.243 745 I C -0.794 175.346 176.117 0.039 0.000 1.080 745 I CA 1.401 62.716 61.300 0.024 0.000 1.339 745 I CB -1.100 36.961 38.000 0.101 0.000 1.039 745 I HN 0.157 nan 8.210 nan 0.000 0.409 746 P HA -0.208 nan 4.420 nan 0.000 0.217 746 P C 1.269 178.598 177.300 0.049 0.000 1.151 746 P CA 1.654 64.782 63.100 0.047 0.000 0.849 746 P CB -0.027 31.698 31.700 0.040 0.000 0.787 747 K N -0.859 119.567 120.400 0.043 0.000 2.365 747 K HA 0.056 4.418 4.320 0.069 0.000 0.197 747 K C 1.970 178.637 176.600 0.112 0.000 1.042 747 K CA 0.480 56.817 56.287 0.083 0.000 0.987 747 K CB -0.430 32.145 32.500 0.126 0.000 0.779 747 K HN 0.291 nan 8.250 nan 0.000 0.484 748 I N -1.967 118.639 120.570 0.059 0.000 2.617 748 I HA -0.080 4.131 4.170 0.069 0.000 0.256 748 I C 0.876 177.042 176.117 0.081 0.000 1.167 748 I CA 1.171 62.512 61.300 0.068 0.000 1.469 748 I CB -0.098 37.891 38.000 -0.017 0.000 1.098 748 I HN -0.129 nan 8.210 nan 0.000 0.436 749 D N 1.985 122.430 120.400 0.075 0.000 2.228 749 D HA -0.165 4.517 4.640 0.069 0.000 0.203 749 D C 1.680 178.021 176.300 0.068 0.000 0.988 749 D CA 1.297 55.341 54.000 0.074 0.000 0.864 749 D CB -0.120 40.724 40.800 0.073 0.000 0.928 749 D HN 0.289 nan 8.370 nan 0.000 0.469 750 K N -0.219 120.222 120.400 0.069 0.000 2.476 750 K HA 0.250 4.611 4.320 0.069 0.000 0.196 750 K C 0.197 176.830 176.600 0.055 0.000 1.025 750 K CA -0.142 56.179 56.287 0.056 0.000 1.138 750 K CB 0.271 32.802 32.500 0.051 0.000 0.860 750 K HN 0.192 nan 8.250 nan 0.000 0.515 751 I N 1.596 122.208 120.570 0.069 0.000 2.321 751 I HA 0.282 4.494 4.170 0.069 0.000 0.291 751 I C -2.289 173.861 176.117 0.055 0.000 0.998 751 I CA -2.779 58.556 61.300 0.059 0.000 1.227 751 I CB 1.253 39.306 38.000 0.088 0.000 1.368 751 I HN -0.040 nan 8.210 nan 0.000 0.466 752 P HA 0.262 nan 4.420 nan 0.000 0.249 752 P C -0.806 176.551 177.300 0.094 0.000 1.737 752 P CA 0.090 63.226 63.100 0.060 0.000 1.128 752 P CB 0.075 31.803 31.700 0.047 0.000 1.942 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.362 4.320 0.069 0.000 0.244 753 A CA 0.000 52.137 52.037 0.167 0.000 0.836 753 A CB 0.000 19.020 19.000 0.034 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486