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 5req_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPRFDSVDLG NAPVPADAAR RFEELAAKAG TGEAWETAEQ IPVGTLFNED DATA SEQUENCE VYKDMDWLDT YAGIPPFVHG PYATMYAFRP WTIRQFAGFS TAKESNAFYR DATA SEQUENCE RNLAAGQKGL SVAFDLPTHR GYDSDNPRVA GDVGMAGVAI DSIYDMRELF DATA SEQUENCE AGIPLDQMSV SMTMNGAVLP ILALYVVTAE EQGVKPEQLA GTIQNDILKE DATA SEQUENCE FMVRNTYIYP PQPSMRIISE IFAYTSANMP KWNSISISGY HMQEAGATAD DATA SEQUENCE IEMAYTLADG VDYIRAGESV GLNVDQFAPR LSFFWGIGMN FFMEVAKLRA DATA SEQUENCE ARMLWAKLVH QFGPKNPKSM SLRTHSQTSG WSLTAQDVYN NVVRTCIEAM DATA SEQUENCE AATQGHTQSL HTNSLDEAIA LPTDFSARIA RNTQLFLQQE SGTTRVIDPW DATA SEQUENCE SGSAYVEELT WDLARKAWGH IQEVEKVGGM AKAIEKGIPK MRIEEAAART DATA SEQUENCE QARIDSGRQP LIGVNKYRLE HEPPLDVLKV DNSTVLAEQK AKLVKLRAER DATA SEQUENCE DPEKVKAALD KITWAAGNPD DKDPDRNLLK LCIDAGRAMA TVGEMSDALE DATA SEQUENCE KVFGRYTAQI RTISGVYSKE VKNTPEVEEA RELVEEFEQA EGRRPRILLA DATA SEQUENCE KMGQDGHDRG QKVIATAYAD LGFDVDVGPL FQTPEETARQ AVEADVHVVG DATA SEQUENCE VSSLAGGHLT LVPALRKELD KLGRPDILIT VGGVIPEQDF DELRKDGAVE DATA SEQUENCE IYTPGTVIPE SAISLVKKLR ASLDA 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.823 176.870 -0.078 0.000 1.165 4 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 4 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 5 P HA 0.278 nan 4.420 nan 0.000 0.265 5 P C -0.875 176.215 177.300 -0.351 0.000 1.193 5 P CA -0.299 62.612 63.100 -0.315 0.000 0.765 5 P CB 0.593 31.984 31.700 -0.516 0.000 0.823 6 R N 2.079 122.379 120.500 -0.334 0.000 2.387 6 R HA 0.281 4.621 4.340 -0.001 0.000 0.314 6 R C 0.069 176.208 176.300 -0.268 0.000 0.958 6 R CA -0.494 55.495 56.100 -0.184 0.000 0.846 6 R CB 0.555 30.813 30.300 -0.070 0.000 1.147 6 R HN 0.475 nan 8.270 nan 0.000 0.447 7 F N 1.195 121.147 119.950 0.003 0.000 2.692 7 F HA 0.008 4.535 4.527 -0.001 0.000 0.303 7 F C 1.743 177.545 175.800 0.003 0.000 1.114 7 F CA 0.066 58.068 58.000 0.003 0.000 1.361 7 F CB 0.275 39.277 39.000 0.003 0.000 1.063 7 F HN 0.486 nan 8.300 nan 0.000 0.550 8 D N -0.760 119.712 120.400 0.121 0.000 2.312 8 D HA -0.119 4.521 4.640 -0.001 0.000 0.211 8 D C 1.584 177.915 176.300 0.053 0.000 0.964 8 D CA 1.292 55.340 54.000 0.080 0.000 0.877 8 D CB -0.333 40.499 40.800 0.053 0.000 0.924 8 D HN 0.373 nan 8.370 nan 0.000 0.515 9 S N -0.241 115.479 115.700 0.033 0.000 2.512 9 S HA 0.164 4.634 4.470 -0.001 0.000 0.216 9 S C 0.854 175.471 174.600 0.029 0.000 1.006 9 S CA -0.515 57.697 58.200 0.021 0.000 0.915 9 S CB 0.034 63.234 63.200 -0.001 0.000 0.824 9 S HN 0.026 nan 8.310 nan 0.000 0.497 10 V N 3.836 123.780 119.914 0.050 0.000 2.585 10 V HA 0.208 4.328 4.120 -0.001 0.000 0.296 10 V C -0.021 176.132 176.094 0.098 0.000 1.035 10 V CA -0.263 62.083 62.300 0.078 0.000 1.084 10 V CB 0.215 32.127 31.823 0.150 0.000 0.953 10 V HN 0.328 nan 8.190 nan 0.000 0.483 11 D N 2.509 122.952 120.400 0.071 0.000 2.313 11 D HA 0.204 4.843 4.640 -0.001 0.000 0.247 11 D C 0.730 177.071 176.300 0.069 0.000 1.094 11 D CA -0.457 53.578 54.000 0.058 0.000 0.925 11 D CB 1.715 42.537 40.800 0.038 0.000 1.188 11 D HN 0.384 nan 8.370 nan 0.000 0.430 12 L N 1.496 122.749 121.223 0.049 0.000 2.072 12 L HA 0.147 4.486 4.340 -0.001 0.000 0.205 12 L C 1.020 177.911 176.870 0.034 0.000 1.079 12 L CA 2.054 56.917 54.840 0.039 0.000 0.752 12 L CB -0.708 41.364 42.059 0.021 0.000 0.906 12 L HN 0.726 nan 8.230 nan 0.000 0.436 13 G N -0.563 108.253 108.800 0.028 0.000 2.610 13 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.304 13 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.304 13 G C -0.066 174.843 174.900 0.016 0.000 1.309 13 G CA 0.019 45.132 45.100 0.023 0.000 0.906 13 G HN 0.674 nan 8.290 nan 0.000 0.521 14 N N 0.063 118.771 118.700 0.014 0.000 2.235 14 N HA 0.507 5.246 4.740 -0.001 0.000 0.209 14 N C 1.041 176.556 175.510 0.009 0.000 1.122 14 N CA 1.387 54.443 53.050 0.010 0.000 0.845 14 N CB 0.177 38.669 38.487 0.008 0.000 1.004 14 N HN 2.390 nan 8.380 nan 0.000 0.499 15 A N 0.998 123.824 122.820 0.011 0.000 2.091 15 A HA -0.131 4.189 4.320 -0.001 0.000 0.270 15 A C -2.127 175.462 177.584 0.008 0.000 1.368 15 A CA -0.005 52.038 52.037 0.009 0.000 0.745 15 A CB -1.802 17.202 19.000 0.007 0.000 1.173 15 A HN 0.538 nan 8.150 nan 0.000 0.322 16 P HA 0.460 nan 4.420 nan 0.000 0.280 16 P C -0.334 176.971 177.300 0.007 0.000 1.244 16 P CA -0.228 62.877 63.100 0.008 0.000 0.784 16 P CB 1.298 33.003 31.700 0.009 0.000 0.913 17 V N 5.637 125.554 119.914 0.005 0.000 2.385 17 V HA 0.203 4.322 4.120 -0.001 0.000 0.269 17 V C -1.565 174.532 176.094 0.006 0.000 1.043 17 V CA -1.307 60.995 62.300 0.003 0.000 0.906 17 V CB 0.238 32.060 31.823 -0.002 0.000 0.995 17 V HN 0.619 nan 8.190 nan 0.000 0.467 18 P HA 0.124 nan 4.420 nan 0.000 0.270 18 P C 0.843 178.148 177.300 0.009 0.000 1.221 18 P CA -0.127 62.980 63.100 0.010 0.000 0.788 18 P CB 0.698 32.406 31.700 0.014 0.000 0.904 19 A N 1.493 124.318 122.820 0.009 0.000 1.969 19 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 19 A C 1.354 178.945 177.584 0.011 0.000 1.169 19 A CA 1.758 53.799 52.037 0.008 0.000 0.635 19 A CB -0.865 18.139 19.000 0.006 0.000 0.810 19 A HN 0.699 nan 8.150 nan 0.000 0.445 20 D N -0.758 119.651 120.400 0.014 0.000 2.358 20 D HA 0.395 5.035 4.640 -0.001 0.000 0.224 20 D C 1.307 177.624 176.300 0.029 0.000 1.123 20 D CA 0.632 54.643 54.000 0.018 0.000 0.833 20 D CB -0.222 40.587 40.800 0.015 0.000 0.946 20 D HN 0.261 nan 8.370 nan 0.000 0.505 21 A N 1.468 124.306 122.820 0.030 0.000 1.859 21 A HA -0.046 4.274 4.320 -0.001 0.000 0.217 21 A C 2.462 180.093 177.584 0.078 0.000 1.198 21 A CA 2.478 54.541 52.037 0.045 0.000 0.629 21 A CB -1.105 17.909 19.000 0.023 0.000 0.830 21 A HN 0.370 nan 8.150 nan 0.000 0.446 22 A N 0.758 123.616 122.820 0.063 0.000 1.884 22 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 22 A C 2.255 179.910 177.584 0.118 0.000 1.197 22 A CA 2.511 54.605 52.037 0.095 0.000 0.637 22 A CB -0.695 18.334 19.000 0.047 0.000 0.827 22 A HN 0.760 nan 8.150 nan 0.000 0.450 23 R N -0.932 119.605 120.500 0.062 0.000 2.148 23 R HA -0.010 4.330 4.340 -0.001 0.000 0.227 23 R C 2.134 178.449 176.300 0.025 0.000 1.103 23 R CA 1.273 57.393 56.100 0.034 0.000 0.983 23 R CB -0.380 29.929 30.300 0.015 0.000 0.874 23 R HN 0.463 nan 8.270 nan 0.000 0.451 24 R N -0.051 120.475 120.500 0.044 0.000 2.075 24 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 24 R C 2.085 178.414 176.300 0.049 0.000 1.126 24 R CA 1.610 57.732 56.100 0.036 0.000 0.963 24 R CB -0.433 29.894 30.300 0.045 0.000 0.858 24 R HN 0.212 nan 8.270 nan 0.000 0.435 25 F N 2.468 122.404 119.950 -0.023 0.000 2.075 25 F HA -0.200 4.327 4.527 -0.001 0.000 0.297 25 F C 2.125 177.905 175.800 -0.033 0.000 1.113 25 F CA 1.561 59.544 58.000 -0.029 0.000 1.218 25 F CB -0.108 38.871 39.000 -0.035 0.000 0.984 25 F HN -0.114 nan 8.300 nan 0.000 0.472 26 E N 0.402 120.470 120.200 -0.219 0.000 2.085 26 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 26 E C 2.117 178.558 176.600 -0.266 0.000 0.994 26 E CA 1.639 57.865 56.400 -0.291 0.000 0.801 26 E CB -0.613 29.033 29.700 -0.090 0.000 0.743 26 E HN 0.522 nan 8.360 nan 0.000 0.453 27 E N 0.835 120.936 120.200 -0.164 0.000 2.110 27 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 27 E C 2.214 178.719 176.600 -0.158 0.000 0.988 27 E CA 0.658 56.980 56.400 -0.130 0.000 0.804 27 E CB -0.314 29.342 29.700 -0.073 0.000 0.745 27 E HN 0.191 nan 8.360 nan 0.000 0.458 28 L N -0.178 120.932 121.223 -0.188 0.000 2.046 28 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 28 L C 2.503 179.215 176.870 -0.263 0.000 1.077 28 L CA 1.217 55.947 54.840 -0.183 0.000 0.747 28 L CB -0.624 41.354 42.059 -0.135 0.000 0.896 28 L HN 0.230 nan 8.230 nan 0.000 0.432 29 A N 0.015 122.546 122.820 -0.482 0.000 1.883 29 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 29 A C 2.529 179.967 177.584 -0.245 0.000 1.186 29 A CA 1.918 53.682 52.037 -0.454 0.000 0.624 29 A CB -0.825 17.746 19.000 -0.716 0.000 0.822 29 A HN 0.417 nan 8.150 nan 0.000 0.444 30 A N -0.647 122.048 122.820 -0.208 0.000 1.902 30 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 30 A C 2.141 179.666 177.584 -0.098 0.000 1.181 30 A CA 1.918 53.878 52.037 -0.129 0.000 0.623 30 A CB -0.436 18.498 19.000 -0.109 0.000 0.818 30 A HN 0.521 nan 8.150 nan 0.000 0.443 31 K N -0.684 119.656 120.400 -0.100 0.000 2.148 31 K HA -0.013 4.306 4.320 -0.001 0.000 0.204 31 K C 2.115 178.677 176.600 -0.064 0.000 1.050 31 K CA 0.895 57.139 56.287 -0.072 0.000 0.942 31 K CB -0.202 32.258 32.500 -0.067 0.000 0.724 31 K HN 0.461 nan 8.250 nan 0.000 0.446 32 A N -0.038 122.736 122.820 -0.077 0.000 2.016 32 A HA 0.077 4.396 4.320 -0.001 0.000 0.217 32 A C 1.352 178.905 177.584 -0.051 0.000 1.162 32 A CA 1.355 53.356 52.037 -0.060 0.000 0.662 32 A CB -0.128 18.832 19.000 -0.066 0.000 0.812 32 A HN 0.420 nan 8.150 nan 0.000 0.450 33 G N -1.666 107.100 108.800 -0.058 0.000 2.141 33 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.164 33 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.164 33 G C 0.151 175.026 174.900 -0.042 0.000 1.009 33 G CA 0.020 45.094 45.100 -0.044 0.000 0.677 33 G HN 0.535 nan 8.290 nan 0.000 0.508 34 T N 1.338 115.857 114.554 -0.058 0.000 2.831 34 T HA 0.461 4.811 4.350 -0.001 0.000 0.291 34 T C 1.376 176.056 174.700 -0.034 0.000 0.981 34 T CA 1.000 63.070 62.100 -0.049 0.000 1.174 34 T CB 1.322 70.143 68.868 -0.078 0.000 0.929 34 T HN 0.946 nan 8.240 nan 0.000 0.532 35 G N 2.447 111.239 108.800 -0.013 0.000 2.945 35 G HA2 0.410 4.370 3.960 -0.001 0.000 0.156 35 G HA3 0.410 4.370 3.960 -0.001 0.000 0.156 35 G C -0.173 174.732 174.900 0.008 0.000 1.375 35 G CA -0.585 44.513 45.100 -0.002 0.000 1.039 35 G HN 0.562 nan 8.290 nan 0.000 0.586 36 E N 0.058 120.272 120.200 0.023 0.000 2.371 36 E HA 0.422 4.771 4.350 -0.001 0.000 0.257 36 E C 0.534 177.171 176.600 0.062 0.000 1.134 36 E CA -0.340 56.078 56.400 0.031 0.000 0.919 36 E CB 1.281 31.000 29.700 0.030 0.000 1.025 36 E HN 0.519 nan 8.360 nan 0.000 0.438 37 A N 1.660 124.518 122.820 0.062 0.000 2.561 37 A HA -0.074 4.246 4.320 -0.001 0.000 0.234 37 A C -0.338 177.352 177.584 0.176 0.000 1.055 37 A CA -0.004 52.096 52.037 0.104 0.000 0.756 37 A CB -0.197 18.847 19.000 0.073 0.000 0.986 37 A HN 0.598 nan 8.150 nan 0.000 0.505 38 W N 2.371 123.691 121.300 0.034 0.000 2.308 38 W HA 0.397 5.056 4.660 -0.001 0.000 0.324 38 W C -0.004 176.547 176.519 0.053 0.000 1.387 38 W CA -0.268 57.103 57.345 0.043 0.000 1.250 38 W CB 0.204 29.698 29.460 0.056 0.000 1.257 38 W HN 0.695 nan 8.180 nan 0.000 0.554 39 E N 4.397 124.516 120.200 -0.135 0.000 2.115 39 E HA 0.233 4.583 4.350 -0.001 0.000 0.282 39 E C 0.401 176.626 176.600 -0.625 0.000 0.987 39 E CA -0.255 55.966 56.400 -0.299 0.000 0.797 39 E CB 0.622 30.257 29.700 -0.109 0.000 1.086 39 E HN 0.416 nan 8.360 nan 0.000 0.397 40 T N 0.979 115.078 114.554 -0.759 0.000 2.726 40 T HA 0.329 4.679 4.350 -0.001 0.000 0.294 40 T C 1.329 175.832 174.700 -0.327 0.000 1.013 40 T CA -0.138 61.511 62.100 -0.752 0.000 0.996 40 T CB 1.237 69.702 68.868 -0.671 0.000 1.016 40 T HN 0.401 nan 8.240 nan 0.000 0.529 41 A N -0.065 122.637 122.820 -0.198 0.000 2.067 41 A HA 0.008 4.328 4.320 -0.001 0.000 0.219 41 A C 2.067 179.579 177.584 -0.120 0.000 1.158 41 A CA 1.180 53.150 52.037 -0.112 0.000 0.661 41 A CB -0.917 18.046 19.000 -0.062 0.000 0.801 41 A HN 0.856 nan 8.150 nan 0.000 0.452 42 E N -0.894 119.222 120.200 -0.141 0.000 2.427 42 E HA 0.028 4.377 4.350 -0.001 0.000 0.196 42 E C 0.226 176.758 176.600 -0.114 0.000 1.028 42 E CA 0.434 56.759 56.400 -0.124 0.000 0.864 42 E CB -0.186 29.430 29.700 -0.140 0.000 0.813 42 E HN 0.626 nan 8.360 nan 0.000 0.514 43 Q N -0.824 118.896 119.800 -0.134 0.000 2.481 43 Q HA -0.183 4.157 4.340 -0.001 0.000 0.283 43 Q C -1.010 174.922 176.000 -0.113 0.000 1.292 43 Q CA 0.269 56.003 55.803 -0.114 0.000 0.819 43 Q CB -1.708 26.985 28.738 -0.075 0.000 1.202 43 Q HN 0.296 nan 8.270 nan 0.000 0.446 44 I N 1.852 122.333 120.570 -0.149 0.000 2.354 44 I HA 0.319 4.489 4.170 -0.001 0.000 0.286 44 I C -1.994 174.046 176.117 -0.128 0.000 1.007 44 I CA -2.247 58.982 61.300 -0.118 0.000 1.167 44 I CB 1.228 39.156 38.000 -0.120 0.000 1.320 44 I HN -0.127 nan 8.210 nan 0.000 0.458 45 P HA 0.092 nan 4.420 nan 0.000 0.276 45 P C -0.619 176.742 177.300 0.101 0.000 1.253 45 P CA -0.058 63.037 63.100 -0.008 0.000 0.766 45 P CB 1.152 32.862 31.700 0.017 0.000 0.845 46 V N 4.704 124.704 119.914 0.143 0.000 2.304 46 V HA 0.410 4.530 4.120 -0.001 0.000 0.278 46 V C 1.218 177.494 176.094 0.303 0.000 1.018 46 V CA -0.319 62.201 62.300 0.367 0.000 0.814 46 V CB 0.970 33.087 31.823 0.490 0.000 1.021 46 V HN 0.718 nan 8.190 nan 0.000 0.440 47 G N 2.965 111.847 108.800 0.136 0.000 2.570 47 G HA2 0.289 4.248 3.960 -0.001 0.000 0.276 47 G HA3 0.289 4.248 3.960 -0.001 0.000 0.276 47 G C 1.124 175.965 174.900 -0.099 0.000 1.346 47 G CA 0.506 45.570 45.100 -0.060 0.000 1.034 47 G HN 0.732 nan 8.290 nan 0.000 0.512 48 T N -2.990 111.496 114.554 -0.113 0.000 3.081 48 T HA 0.345 4.695 4.350 -0.001 0.000 0.250 48 T C 0.253 174.886 174.700 -0.111 0.000 1.100 48 T CA 0.361 62.426 62.100 -0.057 0.000 1.038 48 T CB -0.091 68.803 68.868 0.043 0.000 0.962 48 T HN 0.449 nan 8.240 nan 0.000 0.516 49 L N 0.185 121.226 121.223 -0.303 0.000 2.611 49 L HA 0.634 4.974 4.340 -0.001 0.000 0.260 49 L C -2.140 174.395 176.870 -0.559 0.000 0.924 49 L CA -0.934 53.709 54.840 -0.328 0.000 0.901 49 L CB 1.710 43.528 42.059 -0.402 0.000 1.369 49 L HN 0.076 nan 8.230 nan 0.000 0.415 50 F N 3.158 123.021 119.950 -0.145 0.000 2.492 50 F HA 0.659 5.185 4.527 -0.001 0.000 0.327 50 F C 0.372 176.090 175.800 -0.138 0.000 1.079 50 F CA -0.266 57.673 58.000 -0.102 0.000 0.967 50 F CB 2.062 41.046 39.000 -0.027 0.000 1.169 50 F HN 0.538 nan 8.300 nan 0.000 0.472 51 N N -0.315 118.364 118.700 -0.036 0.000 3.102 51 N HA 0.165 4.905 4.740 -0.001 0.000 0.299 51 N C 0.393 175.744 175.510 -0.265 0.000 1.482 51 N CA -0.682 52.294 53.050 -0.123 0.000 0.785 51 N CB 1.009 39.416 38.487 -0.133 0.000 1.680 51 N HN 0.578 nan 8.380 nan 0.000 0.594 52 E N 0.462 120.498 120.200 -0.274 0.000 2.401 52 E HA -0.209 4.141 4.350 -0.001 0.000 0.199 52 E C 0.058 176.457 176.600 -0.335 0.000 1.023 52 E CA 1.191 57.358 56.400 -0.390 0.000 0.859 52 E CB -0.242 29.442 29.700 -0.027 0.000 0.780 52 E HN 0.708 nan 8.360 nan 0.000 0.523 53 D N 2.110 122.380 120.400 -0.216 0.000 2.269 53 D HA -0.147 4.493 4.640 -0.001 0.000 0.208 53 D C 2.141 178.356 176.300 -0.142 0.000 0.963 53 D CA 1.424 55.345 54.000 -0.131 0.000 0.864 53 D CB -0.605 40.150 40.800 -0.075 0.000 0.936 53 D HN 0.281 nan 8.370 nan 0.000 0.505 54 V N -0.873 118.909 119.914 -0.221 0.000 2.490 54 V HA -0.253 3.867 4.120 -0.001 0.000 0.250 54 V C 2.092 178.064 176.094 -0.203 0.000 1.061 54 V CA 1.003 63.209 62.300 -0.156 0.000 1.064 54 V CB -1.406 30.361 31.823 -0.094 0.000 0.670 54 V HN -0.040 nan 8.190 nan 0.000 0.461 55 Y N 1.363 121.575 120.300 -0.147 0.000 2.352 55 Y HA -0.058 4.491 4.550 -0.001 0.000 0.292 55 Y C 2.927 178.635 175.900 -0.320 0.000 1.136 55 Y CA 1.006 58.937 58.100 -0.280 0.000 1.227 55 Y CB -1.522 36.796 38.460 -0.237 0.000 0.991 55 Y HN 0.293 nan 8.280 nan 0.000 0.545 56 K N 0.597 120.947 120.400 -0.083 0.000 2.049 56 K HA -0.225 4.095 4.320 -0.001 0.000 0.219 56 K C 1.178 177.675 176.600 -0.171 0.000 1.056 56 K CA 2.301 58.529 56.287 -0.098 0.000 0.946 56 K CB -0.862 31.610 32.500 -0.046 0.000 0.723 56 K HN 0.497 nan 8.250 nan 0.000 0.453 57 D N -0.471 119.793 120.400 -0.226 0.000 2.339 57 D HA 0.131 4.771 4.640 -0.001 0.000 0.217 57 D C 0.271 176.126 176.300 -0.741 0.000 1.050 57 D CA 0.201 54.027 54.000 -0.291 0.000 0.856 57 D CB -0.087 40.730 40.800 0.028 0.000 0.922 57 D HN 0.464 nan 8.370 nan 0.000 0.518 58 M N 1.400 120.421 119.600 -0.965 0.000 2.162 58 M HA 0.078 4.558 4.480 -0.001 0.000 0.356 58 M C 0.563 176.320 176.300 -0.906 0.000 1.303 58 M CA -0.171 54.290 55.300 -1.398 0.000 1.116 58 M CB 0.997 32.509 32.600 -1.814 0.000 1.632 58 M HN -0.233 nan 8.290 nan 0.000 0.469 59 D N 1.090 121.155 120.400 -0.557 0.000 2.395 59 D HA -0.010 4.630 4.640 -0.001 0.000 0.213 59 D C 0.740 176.950 176.300 -0.149 0.000 1.110 59 D CA -0.168 53.671 54.000 -0.268 0.000 0.835 59 D CB -0.260 40.486 40.800 -0.091 0.000 0.965 59 D HN 0.792 nan 8.370 nan 0.000 0.505 60 W N -0.284 120.894 121.300 -0.203 0.000 3.127 60 W HA 0.428 5.088 4.660 0.001 0.000 0.344 60 W C 0.769 177.177 176.519 -0.185 0.000 1.151 60 W CA -0.556 56.676 57.345 -0.188 0.000 1.765 60 W CB -0.463 28.876 29.460 -0.201 0.000 1.085 60 W HN -0.179 nan 8.180 nan 0.000 0.596 61 L N 1.230 122.153 121.223 -0.501 0.000 2.265 61 L HA -0.088 4.252 4.340 -0.001 0.000 0.215 61 L C 0.950 177.686 176.870 -0.223 0.000 1.117 61 L CA 1.463 56.057 54.840 -0.409 0.000 0.782 61 L CB -0.402 41.293 42.059 -0.606 0.000 0.914 61 L HN -0.022 nan 8.230 nan 0.000 0.441 62 D N -0.132 120.155 120.400 -0.188 0.000 2.980 62 D HA 0.091 4.731 4.640 -0.001 0.000 0.333 62 D C 0.264 176.438 176.300 -0.210 0.000 1.356 62 D CA -0.106 53.777 54.000 -0.196 0.000 0.847 62 D CB 0.244 40.951 40.800 -0.156 0.000 1.122 62 D HN 0.102 nan 8.370 nan 0.000 0.475 63 T N -2.797 111.680 114.554 -0.129 0.000 2.948 63 T HA 0.585 4.934 4.350 -0.001 0.000 0.285 63 T C -0.299 174.292 174.700 -0.182 0.000 1.019 63 T CA -0.648 61.399 62.100 -0.088 0.000 1.013 63 T CB 1.284 70.157 68.868 0.008 0.000 1.117 63 T HN -0.051 nan 8.240 nan 0.000 0.533 64 Y N -0.064 120.338 120.300 0.171 0.000 2.393 64 Y HA 0.623 5.172 4.550 -0.001 0.000 0.341 64 Y C 0.737 176.765 175.900 0.213 0.000 0.988 64 Y CA -1.162 57.038 58.100 0.165 0.000 1.078 64 Y CB 1.554 40.042 38.460 0.047 0.000 1.203 64 Y HN 1.076 nan 8.280 nan 0.000 0.453 65 A N 1.458 124.492 122.820 0.356 0.000 2.520 65 A HA 0.406 4.725 4.320 -0.001 0.000 0.235 65 A C 1.344 179.084 177.584 0.259 0.000 1.065 65 A CA 0.763 52.986 52.037 0.310 0.000 0.764 65 A CB -0.848 18.311 19.000 0.265 0.000 1.002 65 A HN 1.650 nan 8.150 nan 0.000 0.502 66 G N 0.044 109.035 108.800 0.319 0.000 2.148 66 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.254 66 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.254 66 G C -0.084 174.925 174.900 0.183 0.000 0.981 66 G CA 0.624 45.938 45.100 0.356 0.000 0.670 66 G HN 0.979 nan 8.290 nan 0.000 0.528 67 I N 0.740 121.213 120.570 -0.162 0.000 2.607 67 I HA 0.389 4.559 4.170 -0.001 0.000 0.290 67 I C -2.373 173.188 176.117 -0.925 0.000 1.129 67 I CA -2.686 58.364 61.300 -0.417 0.000 1.042 67 I CB 2.701 40.619 38.000 -0.136 0.000 1.242 67 I HN -0.204 nan 8.210 nan 0.000 0.421 68 P HA 0.071 nan 4.420 nan 0.000 0.265 68 P C -2.186 174.857 177.300 -0.430 0.000 1.193 68 P CA -0.802 61.745 63.100 -0.923 0.000 0.765 68 P CB -0.125 31.269 31.700 -0.510 0.000 0.823 69 P HA 0.219 nan 4.420 nan 0.000 0.259 69 P C -0.478 176.810 177.300 -0.019 0.000 1.530 69 P CA -0.601 62.392 63.100 -0.178 0.000 1.022 69 P CB -0.297 31.337 31.700 -0.110 0.000 1.514 70 F N -2.066 117.848 119.950 -0.060 0.000 3.067 70 F HA -0.206 4.321 4.527 -0.000 0.000 0.279 70 F C 1.731 177.460 175.800 -0.119 0.000 0.945 70 F CA 0.330 58.298 58.000 -0.054 0.000 0.948 70 F CB -2.556 36.427 39.000 -0.027 0.000 0.898 70 F HN -0.053 nan 8.300 nan 0.000 0.746 71 V N 0.137 119.982 119.914 -0.115 0.000 2.490 71 V HA -0.250 3.870 4.120 -0.001 0.000 0.250 71 V C 2.274 178.227 176.094 -0.235 0.000 1.061 71 V CA 2.525 64.654 62.300 -0.284 0.000 1.064 71 V CB -0.243 31.283 31.823 -0.495 0.000 0.670 71 V HN 0.558 nan 8.190 nan 0.000 0.461 72 H N 0.012 119.113 119.070 0.051 0.000 2.539 72 H HA 0.470 5.026 4.556 -0.001 0.000 0.267 72 H C 0.903 176.323 175.328 0.154 0.000 0.982 72 H CA 0.848 56.938 56.048 0.070 0.000 1.146 72 H CB 0.199 30.003 29.762 0.070 0.000 1.382 72 H HN 0.573 nan 8.280 nan 0.000 0.577 73 G N 0.563 109.491 108.800 0.214 0.000 2.326 73 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.413 73 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.413 73 G C -2.297 172.657 174.900 0.090 0.000 1.444 73 G CA -0.582 44.592 45.100 0.123 0.000 1.002 73 G HN -0.178 nan 8.290 nan 0.000 0.649 74 P HA 0.081 nan 4.420 nan 0.000 0.220 74 P C 0.007 177.211 177.300 -0.159 0.000 1.152 74 P CA 1.112 63.963 63.100 -0.415 0.000 0.812 74 P CB 0.048 31.253 31.700 -0.826 0.000 0.792 75 Y N -1.147 119.235 120.300 0.137 0.000 2.387 75 Y HA 0.601 5.150 4.550 -0.001 0.000 0.336 75 Y C 1.922 177.903 175.900 0.136 0.000 1.067 75 Y CA -1.305 56.872 58.100 0.128 0.000 1.114 75 Y CB -0.019 38.499 38.460 0.097 0.000 1.208 75 Y HN -0.154 nan 8.280 nan 0.000 0.458 76 A N 1.213 124.192 122.820 0.266 0.000 1.892 76 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 76 A C 1.944 179.619 177.584 0.151 0.000 1.188 76 A CA 2.737 54.879 52.037 0.176 0.000 0.631 76 A CB -1.201 17.859 19.000 0.100 0.000 0.822 76 A HN 0.885 nan 8.150 nan 0.000 0.447 77 T N -5.201 109.439 114.554 0.143 0.000 3.022 77 T HA 0.353 4.703 4.350 -0.001 0.000 0.250 77 T C 1.051 175.861 174.700 0.184 0.000 1.060 77 T CA 0.542 62.728 62.100 0.144 0.000 1.013 77 T CB -0.102 68.835 68.868 0.116 0.000 0.982 77 T HN 0.237 nan 8.240 nan 0.000 0.508 78 M N 0.846 120.568 119.600 0.204 0.000 7.319 78 M HA -0.267 4.213 4.480 -0.001 0.000 0.312 78 M C 1.013 177.457 176.300 0.240 0.000 0.480 78 M CA 1.650 57.011 55.300 0.101 0.000 1.311 78 M CB -2.084 30.359 32.600 -0.261 0.000 0.421 78 M HN 0.293 nan 8.290 nan 0.000 0.892 79 Y N 0.151 120.483 120.300 0.053 0.000 2.561 79 Y HA 0.293 4.843 4.550 -0.000 0.000 0.291 79 Y C 2.372 178.332 175.900 0.100 0.000 1.141 79 Y CA 0.960 59.120 58.100 0.099 0.000 1.303 79 Y CB -1.595 36.957 38.460 0.152 0.000 1.015 79 Y HN 0.618 nan 8.280 nan 0.000 0.547 80 A N -0.175 122.801 122.820 0.260 0.000 1.908 80 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 80 A C 2.111 179.824 177.584 0.214 0.000 1.181 80 A CA 1.847 54.001 52.037 0.195 0.000 0.627 80 A CB -1.031 18.070 19.000 0.168 0.000 0.818 80 A HN 0.405 nan 8.150 nan 0.000 0.445 81 F N -1.065 118.935 119.950 0.082 0.000 2.274 81 F HA 0.330 4.857 4.527 -0.001 0.000 0.288 81 F C 0.952 176.772 175.800 0.033 0.000 1.069 81 F CA 0.989 59.017 58.000 0.048 0.000 1.343 81 F CB 0.276 39.300 39.000 0.041 0.000 1.089 81 F HN 0.124 nan 8.300 nan 0.000 0.517 82 R N 0.938 121.464 120.500 0.043 0.000 2.515 82 R HA 0.309 4.648 4.340 -0.001 0.000 0.278 82 R C -2.978 173.346 176.300 0.040 0.000 1.107 82 R CA -2.056 53.976 56.100 -0.113 0.000 0.945 82 R CB 1.704 31.903 30.300 -0.168 0.000 1.219 82 R HN -0.122 nan 8.270 nan 0.000 0.434 83 P HA 0.054 nan 4.420 nan 0.000 0.273 83 P C -0.575 176.530 177.300 -0.324 0.000 1.250 83 P CA -0.299 62.575 63.100 -0.376 0.000 0.793 83 P CB 0.300 31.568 31.700 -0.719 0.000 1.011 84 W N 0.279 121.266 121.300 -0.522 0.000 2.124 84 W HA 0.245 4.905 4.660 -0.001 0.000 0.356 84 W C -0.608 175.852 176.519 -0.098 0.000 1.302 84 W CA -0.324 56.922 57.345 -0.166 0.000 1.293 84 W CB -1.464 27.907 29.460 -0.149 0.000 1.199 84 W HN 0.143 nan 8.180 nan 0.000 0.606 85 T N 3.801 118.408 114.554 0.088 0.000 2.761 85 T HA 0.274 4.624 4.350 -0.001 0.000 0.296 85 T C 0.204 174.956 174.700 0.087 0.000 0.934 85 T CA -0.407 61.688 62.100 -0.009 0.000 1.091 85 T CB 0.095 68.999 68.868 0.059 0.000 0.896 85 T HN 0.308 nan 8.240 nan 0.000 0.515 86 I N 4.101 124.642 120.570 -0.049 0.000 2.494 86 I HA 0.192 4.362 4.170 -0.001 0.000 0.289 86 I C 0.992 177.154 176.117 0.075 0.000 1.106 86 I CA 0.284 61.627 61.300 0.071 0.000 1.369 86 I CB 0.076 38.063 38.000 -0.023 0.000 1.410 86 I HN 0.377 nan 8.210 nan 0.000 0.523 87 R N 6.181 126.773 120.500 0.153 0.000 2.607 87 R HA 0.208 4.548 4.340 -0.001 0.000 0.278 87 R C -0.959 175.465 176.300 0.207 0.000 1.637 87 R CA -0.658 55.512 56.100 0.117 0.000 1.325 87 R CB 0.711 31.066 30.300 0.092 0.000 1.211 87 R HN 0.522 nan 8.270 nan 0.000 0.565 88 Q N 3.455 123.361 119.800 0.177 0.000 2.295 88 Q HA 0.053 4.393 4.340 -0.001 0.000 0.259 88 Q C -0.486 175.731 176.000 0.361 0.000 0.976 88 Q CA -0.160 55.855 55.803 0.354 0.000 0.923 88 Q CB 0.929 29.748 28.738 0.136 0.000 1.185 88 Q HN 0.403 nan 8.270 nan 0.000 0.410 89 F N 2.796 122.931 119.950 0.309 0.000 2.541 89 F HA 0.326 4.853 4.527 -0.000 0.000 0.378 89 F C -0.367 175.519 175.800 0.143 0.000 1.068 89 F CA -0.447 57.541 58.000 -0.019 0.000 1.199 89 F CB 0.193 38.961 39.000 -0.387 0.000 1.091 89 F HN 0.549 nan 8.300 nan 0.000 0.555 90 A N 3.834 126.541 122.820 -0.189 0.000 2.610 90 A HA 0.875 5.194 4.320 -0.001 0.000 0.291 90 A C -0.535 177.096 177.584 0.078 0.000 1.086 90 A CA -0.209 51.867 52.037 0.065 0.000 0.677 90 A CB 1.302 20.578 19.000 0.459 0.000 1.278 90 A HN 1.737 nan 8.150 nan 0.000 0.414 91 G N -0.410 108.497 108.800 0.178 0.000 2.282 91 G HA2 0.670 4.630 3.960 -0.001 0.000 0.274 91 G HA3 0.670 4.630 3.960 -0.001 0.000 0.274 91 G C -1.183 173.776 174.900 0.099 0.000 1.718 91 G CA 0.067 45.178 45.100 0.019 0.000 0.927 91 G HN 2.235 nan 8.290 nan 0.000 0.733 92 F N 0.687 120.550 119.950 -0.145 0.000 2.688 92 F HA 0.837 5.363 4.527 -0.001 0.000 0.308 92 F C 0.471 176.202 175.800 -0.114 0.000 1.117 92 F CA 0.054 57.980 58.000 -0.123 0.000 0.976 92 F CB 1.213 40.122 39.000 -0.152 0.000 1.291 92 F HN 1.821 nan 8.300 nan 0.000 0.439 93 S N 0.966 116.674 115.700 0.014 0.000 4.112 93 S HA -0.231 4.239 4.470 -0.001 0.000 0.602 93 S C 0.417 174.923 174.600 -0.157 0.000 1.939 93 S CA 2.091 60.261 58.200 -0.051 0.000 4.230 93 S CB -1.989 61.225 63.200 0.022 0.000 0.245 93 S HN 2.163 nan 8.310 nan 0.000 0.530 94 T N -0.120 114.302 114.554 -0.219 0.000 2.912 94 T HA 0.831 5.180 4.350 -0.001 0.000 0.280 94 T C 1.367 175.890 174.700 -0.295 0.000 0.989 94 T CA 0.343 62.324 62.100 -0.197 0.000 0.995 94 T CB 1.231 70.016 68.868 -0.138 0.000 1.077 94 T HN 1.424 nan 8.240 nan 0.000 0.531 95 A N 1.401 124.093 122.820 -0.212 0.000 1.859 95 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 95 A C 2.363 179.778 177.584 -0.283 0.000 1.198 95 A CA 1.702 53.595 52.037 -0.241 0.000 0.629 95 A CB -1.054 17.868 19.000 -0.130 0.000 0.830 95 A HN 0.849 nan 8.150 nan 0.000 0.446 96 K N -0.043 120.234 120.400 -0.205 0.000 2.032 96 K HA -0.251 4.069 4.320 -0.001 0.000 0.218 96 K C 1.888 178.349 176.600 -0.231 0.000 1.054 96 K CA 2.452 58.630 56.287 -0.181 0.000 0.941 96 K CB -0.516 31.910 32.500 -0.123 0.000 0.720 96 K HN 0.722 nan 8.250 nan 0.000 0.449 97 E N -0.315 119.710 120.200 -0.292 0.000 2.072 97 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 97 E C 2.201 178.465 176.600 -0.560 0.000 0.985 97 E CA 1.184 57.377 56.400 -0.346 0.000 0.801 97 E CB -0.051 29.412 29.700 -0.396 0.000 0.750 97 E HN 0.199 nan 8.360 nan 0.000 0.452 98 S N 0.833 116.046 115.700 -0.812 0.000 2.356 98 S HA -0.180 4.289 4.470 -0.001 0.000 0.223 98 S C 1.804 175.813 174.600 -0.985 0.000 1.032 98 S CA 1.066 58.717 58.200 -0.916 0.000 1.005 98 S CB -0.352 62.327 63.200 -0.868 0.000 0.867 98 S HN 0.338 nan 8.310 nan 0.000 0.449 99 N N 1.599 119.866 118.700 -0.721 0.000 2.120 99 N HA -0.116 4.623 4.740 -0.001 0.000 0.188 99 N C 1.847 177.224 175.510 -0.221 0.000 1.024 99 N CA 1.397 54.155 53.050 -0.487 0.000 0.852 99 N CB -0.297 38.015 38.487 -0.292 0.000 1.003 99 N HN 0.353 nan 8.380 nan 0.000 0.424 100 A N 0.859 123.590 122.820 -0.148 0.000 1.883 100 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 100 A C 2.085 179.725 177.584 0.093 0.000 1.186 100 A CA 1.102 53.130 52.037 -0.015 0.000 0.624 100 A CB -1.206 17.795 19.000 0.002 0.000 0.822 100 A HN 0.420 nan 8.150 nan 0.000 0.444 101 F N -0.112 119.810 119.950 -0.048 0.000 2.091 101 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 101 F C 2.229 178.119 175.800 0.150 0.000 1.103 101 F CA 1.497 59.549 58.000 0.086 0.000 1.228 101 F CB -0.699 38.437 39.000 0.227 0.000 0.984 101 F HN 0.358 nan 8.300 nan 0.000 0.477 102 Y N 0.480 120.757 120.300 -0.038 0.000 2.128 102 Y HA -0.204 4.346 4.550 -0.001 0.000 0.284 102 Y C 2.678 178.517 175.900 -0.102 0.000 1.154 102 Y CA 1.471 59.494 58.100 -0.129 0.000 1.149 102 Y CB -1.476 36.931 38.460 -0.090 0.000 0.976 102 Y HN 0.083 nan 8.280 nan 0.000 0.505 103 R N -0.066 120.501 120.500 0.112 0.000 2.096 103 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 103 R C 2.338 178.653 176.300 0.025 0.000 1.127 103 R CA 1.283 57.419 56.100 0.060 0.000 0.968 103 R CB -0.259 30.071 30.300 0.050 0.000 0.861 103 R HN 0.362 nan 8.270 nan 0.000 0.440 104 R N 0.278 120.789 120.500 0.018 0.000 2.092 104 R HA -0.013 4.326 4.340 -0.001 0.000 0.231 104 R C 1.884 178.155 176.300 -0.048 0.000 1.119 104 R CA 1.056 57.160 56.100 0.007 0.000 0.970 104 R CB -0.273 30.057 30.300 0.050 0.000 0.864 104 R HN 0.235 nan 8.270 nan 0.000 0.440 105 N N 1.174 119.791 118.700 -0.138 0.000 2.084 105 N HA -0.129 4.611 4.740 -0.001 0.000 0.190 105 N C 1.947 177.401 175.510 -0.093 0.000 1.030 105 N CA 1.102 54.044 53.050 -0.179 0.000 0.849 105 N CB -0.290 37.998 38.487 -0.332 0.000 1.012 105 N HN 0.168 nan 8.380 nan 0.000 0.423 106 L N 0.806 121.994 121.223 -0.059 0.000 2.012 106 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 106 L C 2.375 179.230 176.870 -0.026 0.000 1.073 106 L CA 1.318 56.138 54.840 -0.033 0.000 0.748 106 L CB -0.531 41.526 42.059 -0.003 0.000 0.891 106 L HN 0.134 nan 8.230 nan 0.000 0.431 107 A N -0.240 122.571 122.820 -0.015 0.000 1.972 107 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 107 A C 2.255 179.830 177.584 -0.015 0.000 1.169 107 A CA 1.640 53.671 52.037 -0.010 0.000 0.635 107 A CB -0.574 18.426 19.000 0.001 0.000 0.810 107 A HN 0.425 nan 8.150 nan 0.000 0.446 108 A N -2.211 120.596 122.820 -0.021 0.000 2.278 108 A HA 0.443 4.762 4.320 -0.001 0.000 0.212 108 A C 1.585 179.152 177.584 -0.028 0.000 1.213 108 A CA 1.224 53.249 52.037 -0.020 0.000 0.840 108 A CB -0.633 18.356 19.000 -0.019 0.000 0.866 108 A HN 1.707 nan 8.150 nan 0.000 0.489 109 G N -1.391 107.387 108.800 -0.038 0.000 2.421 109 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.188 109 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.188 109 G C 0.264 175.129 174.900 -0.058 0.000 1.001 109 G CA 0.091 45.162 45.100 -0.047 0.000 0.693 109 G HN 0.670 nan 8.290 nan 0.000 0.479 110 Q N 0.606 120.373 119.800 -0.056 0.000 2.330 110 Q HA 0.485 4.824 4.340 -0.001 0.000 0.279 110 Q C 1.392 177.356 176.000 -0.059 0.000 1.024 110 Q CA 0.509 56.279 55.803 -0.055 0.000 0.900 110 Q CB 0.974 29.673 28.738 -0.065 0.000 1.221 110 Q HN 0.202 nan 8.270 nan 0.000 0.396 111 K N 2.583 122.946 120.400 -0.061 0.000 2.108 111 K HA 0.251 4.571 4.320 -0.001 0.000 0.204 111 K C 0.129 176.700 176.600 -0.048 0.000 1.036 111 K CA 1.349 57.597 56.287 -0.065 0.000 0.965 111 K CB -0.063 32.380 32.500 -0.094 0.000 0.804 111 K HN 0.667 nan 8.250 nan 0.000 0.454 112 G N 0.171 108.946 108.800 -0.042 0.000 2.489 112 G HA2 0.551 4.511 3.960 -0.001 0.000 0.327 112 G HA3 0.551 4.511 3.960 -0.001 0.000 0.327 112 G C -1.167 173.691 174.900 -0.070 0.000 1.189 112 G CA -0.733 44.339 45.100 -0.046 0.000 0.962 112 G HN 0.134 nan 8.290 nan 0.000 0.486 113 L N 0.206 121.378 121.223 -0.085 0.000 2.375 113 L HA 0.675 5.015 4.340 -0.001 0.000 0.268 113 L C 0.318 177.087 176.870 -0.169 0.000 1.058 113 L CA -0.713 54.021 54.840 -0.176 0.000 0.803 113 L CB 2.024 43.989 42.059 -0.157 0.000 1.212 113 L HN 0.536 nan 8.230 nan 0.000 0.451 114 S N 1.359 116.920 115.700 -0.232 0.000 2.673 114 S HA 0.386 4.855 4.470 -0.001 0.000 0.256 114 S C -0.963 173.575 174.600 -0.105 0.000 1.141 114 S CA -0.617 57.521 58.200 -0.103 0.000 1.109 114 S CB 0.964 64.150 63.200 -0.024 0.000 1.101 114 S HN 0.231 nan 8.310 nan 0.000 0.471 115 V N 4.316 124.171 119.914 -0.099 0.000 2.455 115 V HA 0.627 4.747 4.120 -0.001 0.000 0.273 115 V C 0.869 176.783 176.094 -0.300 0.000 1.045 115 V CA -0.149 62.007 62.300 -0.240 0.000 0.976 115 V CB 0.600 32.215 31.823 -0.347 0.000 0.993 115 V HN 0.982 nan 8.190 nan 0.000 0.475 116 A N 5.990 128.530 122.820 -0.467 0.000 2.274 116 A HA 0.834 5.153 4.320 -0.001 0.000 0.309 116 A C -0.773 176.601 177.584 -0.351 0.000 1.226 116 A CA -0.319 51.465 52.037 -0.422 0.000 0.853 116 A CB 0.225 18.735 19.000 -0.817 0.000 1.146 116 A HN 0.618 nan 8.150 nan 0.000 0.518 117 F N 1.083 121.066 119.950 0.055 0.000 2.523 117 F HA 0.416 4.942 4.527 -0.001 0.000 0.329 117 F C 0.687 176.504 175.800 0.029 0.000 1.061 117 F CA -0.707 57.258 58.000 -0.059 0.000 0.967 117 F CB 1.359 40.179 39.000 -0.298 0.000 1.218 117 F HN 0.720 nan 8.300 nan 0.000 0.480 118 D N 0.483 121.016 120.400 0.221 0.000 2.384 118 D HA 0.086 4.726 4.640 -0.001 0.000 0.244 118 D C 0.940 177.411 176.300 0.286 0.000 1.251 118 D CA -0.252 53.876 54.000 0.213 0.000 0.961 118 D CB 0.505 41.386 40.800 0.135 0.000 1.116 118 D HN 0.488 nan 8.370 nan 0.000 0.484 119 L N -0.435 120.938 121.223 0.250 0.000 2.056 119 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 119 L C -0.635 176.341 176.870 0.176 0.000 1.078 119 L CA 0.940 55.920 54.840 0.234 0.000 0.749 119 L CB -1.629 40.521 42.059 0.152 0.000 0.901 119 L HN 0.353 nan 8.230 nan 0.000 0.433 120 P HA -0.158 nan 4.420 nan 0.000 0.215 120 P C 1.622 178.991 177.300 0.116 0.000 1.157 120 P CA 1.641 64.838 63.100 0.162 0.000 0.874 120 P CB -0.223 31.544 31.700 0.112 0.000 0.790 121 T N -1.230 113.355 114.554 0.052 0.000 2.720 121 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 121 T C 1.695 176.310 174.700 -0.141 0.000 1.037 121 T CA 1.370 63.438 62.100 -0.054 0.000 1.144 121 T CB -1.064 67.763 68.868 -0.069 0.000 0.864 121 T HN 0.234 nan 8.240 nan 0.000 0.444 122 H N 1.443 120.475 119.070 -0.063 0.000 2.319 122 H HA 0.035 4.591 4.556 -0.001 0.000 0.299 122 H C 2.116 177.331 175.328 -0.188 0.000 1.092 122 H CA 1.199 57.178 56.048 -0.115 0.000 1.302 122 H CB 0.001 29.729 29.762 -0.057 0.000 1.373 122 H HN 0.274 nan 8.280 nan 0.000 0.497 123 R N 0.092 120.559 120.500 -0.055 0.000 2.335 123 R HA 0.104 4.444 4.340 -0.001 0.000 0.223 123 R C 0.720 176.738 176.300 -0.470 0.000 0.940 123 R CA 0.504 56.450 56.100 -0.258 0.000 1.086 123 R CB 0.370 30.543 30.300 -0.212 0.000 1.073 123 R HN 0.371 nan 8.270 nan 0.000 0.504 124 G N 1.373 109.970 108.800 -0.339 0.000 2.225 124 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.264 124 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.264 124 G C -0.609 174.063 174.900 -0.380 0.000 1.060 124 G CA 0.011 44.906 45.100 -0.341 0.000 0.833 124 G HN 0.311 nan 8.290 nan 0.000 0.498 125 Y N -0.020 120.235 120.300 -0.075 0.000 2.429 125 Y HA 0.559 5.108 4.550 -0.001 0.000 0.342 125 Y C 0.544 176.420 175.900 -0.041 0.000 1.004 125 Y CA -1.293 56.774 58.100 -0.056 0.000 1.075 125 Y CB 1.356 39.780 38.460 -0.060 0.000 1.214 125 Y HN 0.084 nan 8.280 nan 0.000 0.455 126 D N -0.053 120.430 120.400 0.137 0.000 2.383 126 D HA 0.141 4.781 4.640 -0.001 0.000 0.248 126 D C 0.650 176.988 176.300 0.063 0.000 1.170 126 D CA 0.011 54.051 54.000 0.066 0.000 0.977 126 D CB 1.386 42.207 40.800 0.036 0.000 1.120 126 D HN 0.558 nan 8.370 nan 0.000 0.481 127 S N 0.036 115.759 115.700 0.039 0.000 2.481 127 S HA -0.142 4.327 4.470 -0.001 0.000 0.231 127 S C 1.089 175.698 174.600 0.015 0.000 0.996 127 S CA 0.715 58.931 58.200 0.027 0.000 0.942 127 S CB -0.096 63.118 63.200 0.024 0.000 0.768 127 S HN 0.541 nan 8.310 nan 0.000 0.520 128 D N 0.864 121.273 120.400 0.015 0.000 2.348 128 D HA -0.005 4.635 4.640 -0.001 0.000 0.211 128 D C 0.417 176.719 176.300 0.004 0.000 0.998 128 D CA -0.068 53.937 54.000 0.008 0.000 0.873 128 D CB -0.749 40.056 40.800 0.008 0.000 0.925 128 D HN 0.085 nan 8.370 nan 0.000 0.524 129 N N 2.046 120.751 118.700 0.010 0.000 2.411 129 N HA -0.029 4.710 4.740 -0.001 0.000 0.265 129 N C -1.377 174.109 175.510 -0.039 0.000 1.266 129 N CA -0.925 52.123 53.050 -0.003 0.000 0.889 129 N CB 1.368 39.868 38.487 0.021 0.000 1.069 129 N HN -0.050 nan 8.380 nan 0.000 0.476 130 P HA -0.137 nan 4.420 nan 0.000 0.216 130 P C 0.814 178.073 177.300 -0.069 0.000 1.150 130 P CA 1.358 64.433 63.100 -0.042 0.000 0.837 130 P CB 0.229 31.913 31.700 -0.027 0.000 0.786 131 R N 0.083 120.517 120.500 -0.111 0.000 2.193 131 R HA -0.019 4.320 4.340 -0.001 0.000 0.229 131 R C 1.703 177.891 176.300 -0.186 0.000 1.110 131 R CA 1.523 57.532 56.100 -0.153 0.000 0.988 131 R CB -0.797 29.371 30.300 -0.221 0.000 0.871 131 R HN 0.260 nan 8.270 nan 0.000 0.458 132 V N -3.478 116.313 119.914 -0.204 0.000 3.214 132 V HA 0.421 4.540 4.120 -0.001 0.000 0.330 132 V C 1.747 177.799 176.094 -0.070 0.000 1.403 132 V CA 0.332 62.534 62.300 -0.163 0.000 1.143 132 V CB 0.465 32.164 31.823 -0.207 0.000 1.098 132 V HN 0.101 nan 8.190 nan 0.000 0.463 133 A N 2.041 124.828 122.820 -0.055 0.000 1.892 133 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 133 A C 2.271 179.846 177.584 -0.015 0.000 1.188 133 A CA 2.392 54.412 52.037 -0.028 0.000 0.631 133 A CB -1.303 17.682 19.000 -0.025 0.000 0.822 133 A HN 0.858 nan 8.150 nan 0.000 0.447 134 G N -1.164 107.628 108.800 -0.014 0.000 2.471 134 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.219 134 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.219 134 G C 0.938 175.842 174.900 0.007 0.000 1.125 134 G CA 1.087 46.182 45.100 -0.007 0.000 0.775 134 G HN 0.524 nan 8.290 nan 0.000 0.548 135 D N -0.014 120.396 120.400 0.017 0.000 2.367 135 D HA 0.059 4.699 4.640 -0.001 0.000 0.207 135 D C 0.950 177.278 176.300 0.047 0.000 1.034 135 D CA -0.070 53.956 54.000 0.043 0.000 0.861 135 D CB 0.598 41.431 40.800 0.056 0.000 0.943 135 D HN 0.032 nan 8.370 nan 0.000 0.515 136 V N 1.470 121.402 119.914 0.030 0.000 2.486 136 V HA 0.149 4.269 4.120 -0.001 0.000 0.290 136 V C 1.647 177.764 176.094 0.038 0.000 0.991 136 V CA 1.106 63.426 62.300 0.033 0.000 1.142 136 V CB -0.034 31.800 31.823 0.019 0.000 0.926 136 V HN 0.482 nan 8.190 nan 0.000 0.472 137 G N 5.122 113.952 108.800 0.050 0.000 2.168 137 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.257 137 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.257 137 G C 0.588 175.529 174.900 0.069 0.000 0.997 137 G CA 0.521 45.651 45.100 0.050 0.000 0.708 137 G HN 0.528 nan 8.290 nan 0.000 0.520 138 M N -0.805 118.842 119.600 0.079 0.000 2.486 138 M HA 0.374 4.854 4.480 -0.001 0.000 0.264 138 M C 2.457 178.824 176.300 0.112 0.000 1.125 138 M CA 1.480 56.831 55.300 0.084 0.000 1.144 138 M CB -0.475 32.168 32.600 0.072 0.000 1.353 138 M HN 0.703 nan 8.290 nan 0.000 0.466 139 A N -0.509 122.393 122.820 0.136 0.000 2.382 139 A HA 0.599 4.918 4.320 -0.001 0.000 0.228 139 A C 1.043 178.723 177.584 0.159 0.000 1.217 139 A CA 0.644 52.782 52.037 0.168 0.000 0.923 139 A CB 0.208 19.333 19.000 0.208 0.000 0.979 139 A HN 0.468 nan 8.150 nan 0.000 0.515 140 G N -1.648 107.231 108.800 0.130 0.000 2.325 140 G HA2 0.400 4.359 3.960 -0.001 0.000 0.295 140 G HA3 0.400 4.359 3.960 -0.001 0.000 0.295 140 G C -1.129 173.791 174.900 0.034 0.000 1.274 140 G CA 0.112 45.257 45.100 0.075 0.000 0.857 140 G HN 0.657 nan 8.290 nan 0.000 0.499 141 V N 0.591 120.472 119.914 -0.055 0.000 2.715 141 V HA 0.554 4.673 4.120 -0.001 0.000 0.299 141 V C 0.895 177.008 176.094 0.032 0.000 1.054 141 V CA 0.381 62.627 62.300 -0.090 0.000 1.077 141 V CB 0.982 32.674 31.823 -0.217 0.000 0.972 141 V HN 1.798 nan 8.190 nan 0.000 0.484 142 A N 8.420 131.249 122.820 0.014 0.000 2.343 142 A HA 0.614 4.933 4.320 -0.001 0.000 0.305 142 A C -0.468 177.157 177.584 0.069 0.000 1.308 142 A CA -0.434 51.634 52.037 0.052 0.000 0.949 142 A CB -0.236 18.778 19.000 0.025 0.000 1.148 142 A HN 0.622 nan 8.150 nan 0.000 0.545 143 I N 3.094 123.732 120.570 0.112 0.000 2.362 143 I HA 0.299 4.468 4.170 -0.001 0.000 0.289 143 I C -0.242 175.905 176.117 0.049 0.000 0.994 143 I CA -0.318 61.046 61.300 0.108 0.000 1.158 143 I CB 1.386 39.499 38.000 0.187 0.000 1.315 143 I HN 0.650 nan 8.210 nan 0.000 0.451 144 D N 2.846 123.268 120.400 0.035 0.000 2.597 144 D HA 0.077 4.717 4.640 -0.001 0.000 0.261 144 D C 0.931 177.218 176.300 -0.022 0.000 1.023 144 D CA 0.773 54.776 54.000 0.004 0.000 0.927 144 D CB 1.101 41.901 40.800 0.001 0.000 1.168 144 D HN 0.590 nan 8.370 nan 0.000 0.491 145 S N -0.784 114.906 115.700 -0.017 0.000 2.929 145 S HA 0.225 4.694 4.470 -0.001 0.000 0.311 145 S C 0.719 175.320 174.600 0.003 0.000 1.213 145 S CA -0.579 57.587 58.200 -0.057 0.000 0.908 145 S CB 0.845 63.934 63.200 -0.185 0.000 1.287 145 S HN -0.123 nan 8.310 nan 0.000 0.594 146 I N 0.937 121.499 120.570 -0.013 0.000 2.286 146 I HA -0.016 4.153 4.170 -0.001 0.000 0.248 146 I C 1.895 178.131 176.117 0.199 0.000 1.115 146 I CA 1.559 62.905 61.300 0.076 0.000 1.392 146 I CB -0.713 37.320 38.000 0.055 0.000 1.065 146 I HN 0.664 nan 8.210 nan 0.000 0.418 147 Y N 1.376 121.688 120.300 0.020 0.000 2.069 147 Y HA -0.319 4.231 4.550 -0.001 0.000 0.278 147 Y C 2.538 178.449 175.900 0.018 0.000 1.175 147 Y CA 1.647 59.756 58.100 0.014 0.000 1.134 147 Y CB -1.550 36.913 38.460 0.006 0.000 0.965 147 Y HN 0.347 nan 8.280 nan 0.000 0.498 148 D N -0.975 119.540 120.400 0.193 0.000 2.117 148 D HA -0.161 4.478 4.640 -0.001 0.000 0.198 148 D C 2.199 178.566 176.300 0.111 0.000 0.982 148 D CA 1.230 55.296 54.000 0.110 0.000 0.828 148 D CB -0.328 40.526 40.800 0.090 0.000 0.967 148 D HN 0.288 nan 8.370 nan 0.000 0.464 149 M N 0.845 120.543 119.600 0.164 0.000 2.175 149 M HA -0.052 4.428 4.480 -0.001 0.000 0.264 149 M C 2.057 178.517 176.300 0.266 0.000 1.063 149 M CA 1.069 56.517 55.300 0.247 0.000 1.119 149 M CB -0.104 32.651 32.600 0.258 0.000 1.377 149 M HN -0.205 nan 8.290 nan 0.000 0.415 150 R N -0.395 120.212 120.500 0.179 0.000 2.083 150 R HA -0.174 4.166 4.340 -0.001 0.000 0.237 150 R C 1.956 178.316 176.300 0.101 0.000 1.137 150 R CA 1.997 58.180 56.100 0.138 0.000 0.951 150 R CB -0.186 30.173 30.300 0.099 0.000 0.851 150 R HN 0.470 nan 8.270 nan 0.000 0.434 151 E N -0.049 120.182 120.200 0.050 0.000 2.208 151 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 151 E C 1.780 178.334 176.600 -0.076 0.000 0.988 151 E CA 0.499 56.890 56.400 -0.014 0.000 0.828 151 E CB 0.053 29.731 29.700 -0.036 0.000 0.763 151 E HN 0.125 nan 8.360 nan 0.000 0.478 152 L N -0.394 120.761 121.223 -0.113 0.000 2.093 152 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 152 L C 1.127 177.720 176.870 -0.462 0.000 1.085 152 L CA 1.685 56.322 54.840 -0.338 0.000 0.755 152 L CB -0.021 41.797 42.059 -0.401 0.000 0.904 152 L HN 0.059 nan 8.230 nan 0.000 0.435 153 F N -0.246 119.761 119.950 0.095 0.000 2.641 153 F HA 0.444 4.970 4.527 -0.001 0.000 0.302 153 F C 1.225 177.058 175.800 0.056 0.000 1.098 153 F CA -0.235 57.830 58.000 0.107 0.000 1.318 153 F CB -0.879 38.185 39.000 0.107 0.000 1.035 153 F HN -0.035 nan 8.300 nan 0.000 0.551 154 A N 0.452 123.340 122.820 0.114 0.000 2.545 154 A HA 0.404 4.724 4.320 -0.001 0.000 0.253 154 A C 1.531 179.156 177.584 0.068 0.000 1.074 154 A CA 0.814 52.894 52.037 0.071 0.000 0.760 154 A CB -0.834 18.178 19.000 0.020 0.000 1.005 154 A HN 0.983 nan 8.150 nan 0.000 0.506 155 G N 1.558 110.401 108.800 0.071 0.000 2.143 155 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.249 155 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.249 155 G C -0.039 174.912 174.900 0.085 0.000 0.981 155 G CA 0.411 45.549 45.100 0.062 0.000 0.665 155 G HN 0.985 nan 8.290 nan 0.000 0.528 156 I N 1.578 122.227 120.570 0.131 0.000 2.563 156 I HA 0.291 4.461 4.170 -0.001 0.000 0.276 156 I C -2.362 173.843 176.117 0.146 0.000 1.074 156 I CA -2.300 59.099 61.300 0.165 0.000 1.124 156 I CB 2.096 40.261 38.000 0.276 0.000 1.225 156 I HN -0.187 nan 8.210 nan 0.000 0.482 157 P HA 0.090 nan 4.420 nan 0.000 0.261 157 P C 0.680 178.005 177.300 0.041 0.000 1.203 157 P CA 0.120 63.250 63.100 0.049 0.000 0.767 157 P CB 0.544 32.265 31.700 0.034 0.000 0.785 158 L N 2.194 123.414 121.223 -0.005 0.000 2.599 158 L HA -0.039 4.300 4.340 -0.001 0.000 0.230 158 L C 1.667 178.549 176.870 0.019 0.000 1.141 158 L CA 0.674 55.500 54.840 -0.024 0.000 0.877 158 L CB -0.569 41.366 42.059 -0.207 0.000 1.009 158 L HN 0.368 nan 8.230 nan 0.000 0.447 159 D N -0.584 119.826 120.400 0.017 0.000 2.305 159 D HA -0.159 4.480 4.640 -0.001 0.000 0.206 159 D C 1.633 177.956 176.300 0.039 0.000 0.974 159 D CA 0.691 54.709 54.000 0.031 0.000 0.871 159 D CB 0.086 40.896 40.800 0.016 0.000 0.947 159 D HN 0.396 nan 8.370 nan 0.000 0.516 160 Q N -1.096 118.726 119.800 0.037 0.000 2.317 160 Q HA 0.220 4.560 4.340 -0.001 0.000 0.220 160 Q C 0.224 176.248 176.000 0.040 0.000 0.873 160 Q CA -0.200 55.622 55.803 0.033 0.000 0.936 160 Q CB 0.774 29.527 28.738 0.025 0.000 1.105 160 Q HN 0.162 nan 8.270 nan 0.000 0.520 161 M N 0.191 119.827 119.600 0.060 0.000 2.508 161 M HA 0.319 4.798 4.480 -0.001 0.000 0.327 161 M C -0.867 175.477 176.300 0.073 0.000 1.160 161 M CA -0.651 54.688 55.300 0.065 0.000 0.980 161 M CB 2.178 34.835 32.600 0.094 0.000 1.693 161 M HN -0.204 nan 8.290 nan 0.000 0.452 162 S N 3.408 119.128 115.700 0.033 0.000 2.422 162 S HA 0.718 5.187 4.470 -0.001 0.000 0.298 162 S C -1.407 173.178 174.600 -0.025 0.000 1.118 162 S CA -0.612 57.583 58.200 -0.009 0.000 1.083 162 S CB 0.037 63.207 63.200 -0.049 0.000 0.971 162 S HN 0.582 nan 8.310 nan 0.000 0.478 163 V N 4.800 124.694 119.914 -0.034 0.000 2.448 163 V HA 0.538 4.658 4.120 -0.001 0.000 0.295 163 V C 0.267 176.242 176.094 -0.198 0.000 1.025 163 V CA -0.702 61.580 62.300 -0.030 0.000 0.859 163 V CB 1.643 33.526 31.823 0.099 0.000 0.988 163 V HN 0.853 nan 8.190 nan 0.000 0.431 164 S N 5.683 121.282 115.700 -0.169 0.000 2.565 164 S HA 0.798 5.268 4.470 -0.001 0.000 0.290 164 S C -0.624 173.941 174.600 -0.058 0.000 1.150 164 S CA -0.589 57.482 58.200 -0.214 0.000 1.058 164 S CB 0.910 63.947 63.200 -0.272 0.000 1.032 164 S HN 0.674 nan 8.310 nan 0.000 0.510 165 M N 3.232 122.841 119.600 0.015 0.000 2.151 165 M HA 0.245 4.724 4.480 -0.001 0.000 0.290 165 M C -0.929 175.530 176.300 0.266 0.000 0.965 165 M CA -0.336 55.104 55.300 0.234 0.000 0.930 165 M CB 2.258 35.043 32.600 0.308 0.000 1.560 165 M HN 0.547 nan 8.290 nan 0.000 0.438 166 T N 4.387 119.182 114.554 0.402 0.000 3.176 166 T HA 0.496 4.846 4.350 -0.001 0.000 0.301 166 T C -0.631 174.349 174.700 0.465 0.000 1.115 166 T CA -0.124 62.195 62.100 0.365 0.000 1.027 166 T CB -0.345 68.787 68.868 0.441 0.000 1.063 166 T HN 0.512 nan 8.240 nan 0.000 0.669 167 M N 3.540 123.279 119.600 0.231 0.000 2.265 167 M HA 0.413 4.892 4.480 -0.001 0.000 0.262 167 M C -0.785 175.531 176.300 0.027 0.000 1.026 167 M CA -0.528 54.806 55.300 0.057 0.000 0.987 167 M CB 1.093 33.530 32.600 -0.271 0.000 1.937 167 M HN 0.169 nan 8.290 nan 0.000 0.481 168 N N 1.945 120.672 118.700 0.045 0.000 2.594 168 N HA 0.182 4.922 4.740 -0.001 0.000 0.237 168 N C 1.087 176.570 175.510 -0.044 0.000 1.057 168 N CA 0.769 53.808 53.050 -0.018 0.000 0.883 168 N CB 0.450 38.908 38.487 -0.049 0.000 1.538 168 N HN 0.780 nan 8.380 nan 0.000 0.451 169 G N 1.527 110.300 108.800 -0.045 0.000 2.524 169 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.215 169 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.215 169 G C 0.789 175.634 174.900 -0.093 0.000 1.239 169 G CA 0.996 46.031 45.100 -0.108 0.000 0.798 169 G HN 0.350 nan 8.290 nan 0.000 0.557 170 A N 0.130 122.881 122.820 -0.114 0.000 3.202 170 A HA 0.586 4.906 4.320 -0.001 0.000 0.258 170 A C 1.452 178.964 177.584 -0.120 0.000 1.572 170 A CA -0.036 51.936 52.037 -0.108 0.000 1.241 170 A CB 0.209 19.114 19.000 -0.158 0.000 1.127 170 A HN 0.374 nan 8.150 nan 0.000 0.648 171 V N 0.663 120.531 119.914 -0.078 0.000 2.379 171 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 171 V C 2.141 178.187 176.094 -0.080 0.000 1.044 171 V CA 2.062 64.311 62.300 -0.084 0.000 1.036 171 V CB -0.433 31.356 31.823 -0.057 0.000 0.664 171 V HN 0.775 nan 8.190 nan 0.000 0.453 172 L N 0.808 121.999 121.223 -0.054 0.000 1.970 172 L HA -0.088 4.251 4.340 -0.001 0.000 0.212 172 L C 0.240 177.059 176.870 -0.086 0.000 1.071 172 L CA 2.289 57.087 54.840 -0.070 0.000 0.751 172 L CB -2.031 40.002 42.059 -0.042 0.000 0.889 172 L HN 0.344 nan 8.230 nan 0.000 0.432 173 P HA -0.174 nan 4.420 nan 0.000 0.216 173 P C 1.849 179.099 177.300 -0.083 0.000 1.153 173 P CA 1.526 64.581 63.100 -0.075 0.000 0.848 173 P CB -0.048 31.611 31.700 -0.069 0.000 0.787 174 I N -0.901 119.597 120.570 -0.120 0.000 2.252 174 I HA -0.148 4.021 4.170 -0.001 0.000 0.245 174 I C 2.425 178.518 176.117 -0.041 0.000 1.102 174 I CA 0.957 62.180 61.300 -0.128 0.000 1.385 174 I CB -1.516 36.275 38.000 -0.348 0.000 1.064 174 I HN -0.055 nan 8.210 nan 0.000 0.414 175 L N 1.544 122.727 121.223 -0.067 0.000 2.046 175 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 175 L C 2.579 179.395 176.870 -0.090 0.000 1.077 175 L CA 2.092 56.887 54.840 -0.075 0.000 0.747 175 L CB -0.949 41.038 42.059 -0.119 0.000 0.896 175 L HN 0.183 nan 8.230 nan 0.000 0.432 176 A N -0.644 122.109 122.820 -0.111 0.000 1.908 176 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 176 A C 2.260 179.807 177.584 -0.062 0.000 1.181 176 A CA 2.003 53.968 52.037 -0.121 0.000 0.627 176 A CB -0.863 18.067 19.000 -0.118 0.000 0.818 176 A HN 0.496 nan 8.150 nan 0.000 0.445 177 L N -2.330 118.885 121.223 -0.013 0.000 2.217 177 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 177 L C 2.505 179.415 176.870 0.067 0.000 1.107 177 L CA 1.210 56.066 54.840 0.027 0.000 0.783 177 L CB -0.499 41.591 42.059 0.051 0.000 0.919 177 L HN 0.585 nan 8.230 nan 0.000 0.442 178 Y N 0.339 120.620 120.300 -0.032 0.000 2.163 178 Y HA -0.226 4.324 4.550 -0.001 0.000 0.288 178 Y C 2.408 178.219 175.900 -0.148 0.000 1.136 178 Y CA 1.608 59.661 58.100 -0.080 0.000 1.147 178 Y CB -0.220 38.180 38.460 -0.100 0.000 0.987 178 Y HN -0.174 nan 8.280 nan 0.000 0.509 179 V N -0.813 119.042 119.914 -0.098 0.000 2.287 179 V HA -0.340 3.780 4.120 -0.001 0.000 0.248 179 V C 2.328 178.335 176.094 -0.146 0.000 1.053 179 V CA 1.873 64.080 62.300 -0.155 0.000 1.027 179 V CB -0.967 30.784 31.823 -0.119 0.000 0.646 179 V HN 0.352 nan 8.190 nan 0.000 0.447 180 V N -0.211 119.642 119.914 -0.101 0.000 2.343 180 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 180 V C 2.549 178.590 176.094 -0.088 0.000 1.051 180 V CA 2.576 64.832 62.300 -0.074 0.000 1.036 180 V CB -1.164 30.633 31.823 -0.042 0.000 0.654 180 V HN 0.620 nan 8.190 nan 0.000 0.451 181 T N 0.606 115.093 114.554 -0.112 0.000 2.652 181 T HA -0.229 4.120 4.350 -0.001 0.000 0.267 181 T C 2.119 176.698 174.700 -0.201 0.000 1.039 181 T CA 1.837 63.865 62.100 -0.120 0.000 1.153 181 T CB -0.574 68.232 68.868 -0.103 0.000 0.863 181 T HN 0.586 nan 8.240 nan 0.000 0.428 182 A N 1.441 124.046 122.820 -0.359 0.000 1.884 182 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 182 A C 2.210 179.700 177.584 -0.158 0.000 1.197 182 A CA 2.341 54.192 52.037 -0.310 0.000 0.637 182 A CB -0.945 17.827 19.000 -0.380 0.000 0.827 182 A HN 0.645 nan 8.150 nan 0.000 0.450 183 E N -0.239 119.888 120.200 -0.121 0.000 2.086 183 E HA -0.268 4.082 4.350 -0.001 0.000 0.200 183 E C 1.846 178.417 176.600 -0.050 0.000 1.012 183 E CA 1.694 58.053 56.400 -0.069 0.000 0.812 183 E CB -0.192 29.474 29.700 -0.055 0.000 0.743 183 E HN 0.780 nan 8.360 nan 0.000 0.453 184 E N -0.190 119.982 120.200 -0.046 0.000 2.338 184 E HA -0.163 4.187 4.350 -0.001 0.000 0.197 184 E C 1.901 178.486 176.600 -0.025 0.000 1.007 184 E CA 0.467 56.851 56.400 -0.026 0.000 0.849 184 E CB 0.033 29.726 29.700 -0.013 0.000 0.774 184 E HN 0.387 nan 8.360 nan 0.000 0.506 185 Q N -0.639 119.138 119.800 -0.038 0.000 2.425 185 Q HA 0.038 4.378 4.340 -0.001 0.000 0.204 185 Q C 0.951 176.935 176.000 -0.027 0.000 0.933 185 Q CA 0.496 56.281 55.803 -0.031 0.000 0.939 185 Q CB 0.783 29.493 28.738 -0.047 0.000 1.044 185 Q HN 0.411 nan 8.270 nan 0.000 0.513 186 G N 0.429 109.211 108.800 -0.030 0.000 2.141 186 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.231 186 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.231 186 G C -0.043 174.842 174.900 -0.025 0.000 0.984 186 G CA -0.021 45.065 45.100 -0.023 0.000 0.660 186 G HN 0.179 nan 8.290 nan 0.000 0.525 187 V N 1.763 121.652 119.914 -0.040 0.000 2.364 187 V HA 0.400 4.519 4.120 -0.001 0.000 0.272 187 V C 0.851 176.922 176.094 -0.038 0.000 1.036 187 V CA -0.715 61.562 62.300 -0.038 0.000 0.880 187 V CB 1.287 33.077 31.823 -0.055 0.000 0.991 187 V HN 0.359 nan 8.190 nan 0.000 0.460 188 K N 5.999 126.388 120.400 -0.018 0.000 2.180 188 K HA 0.241 4.560 4.320 -0.001 0.000 0.251 188 K C -1.547 175.050 176.600 -0.006 0.000 1.014 188 K CA -1.343 54.937 56.287 -0.012 0.000 0.913 188 K CB 0.378 32.876 32.500 -0.004 0.000 1.008 188 K HN 0.304 nan 8.250 nan 0.000 0.490 189 P HA -0.214 nan 4.420 nan 0.000 0.218 189 P C 0.842 178.161 177.300 0.032 0.000 1.149 189 P CA 1.302 64.410 63.100 0.012 0.000 0.817 189 P CB 0.080 31.802 31.700 0.037 0.000 0.785 190 E N 0.670 120.885 120.200 0.026 0.000 2.347 190 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 190 E C 1.354 177.993 176.600 0.064 0.000 1.008 190 E CA 0.899 57.323 56.400 0.041 0.000 0.852 190 E CB -0.733 28.977 29.700 0.017 0.000 0.783 190 E HN 0.398 nan 8.360 nan 0.000 0.505 191 Q N 0.592 120.428 119.800 0.061 0.000 2.425 191 Q HA 0.237 4.577 4.340 -0.001 0.000 0.204 191 Q C 0.457 176.525 176.000 0.114 0.000 0.933 191 Q CA -0.033 55.812 55.803 0.069 0.000 0.939 191 Q CB 0.303 29.066 28.738 0.042 0.000 1.044 191 Q HN 0.234 nan 8.270 nan 0.000 0.513 192 L N 1.820 123.143 121.223 0.167 0.000 2.385 192 L HA 0.287 4.627 4.340 -0.001 0.000 0.281 192 L C -0.128 177.003 176.870 0.434 0.000 1.106 192 L CA -0.705 54.318 54.840 0.304 0.000 0.856 192 L CB 0.504 42.742 42.059 0.298 0.000 1.186 192 L HN 0.030 nan 8.230 nan 0.000 0.453 193 A N 3.330 126.336 122.820 0.309 0.000 2.292 193 A HA 0.888 5.208 4.320 -0.001 0.000 0.319 193 A C 0.345 177.919 177.584 -0.016 0.000 1.206 193 A CA 0.288 52.413 52.037 0.146 0.000 0.835 193 A CB 1.198 20.232 19.000 0.056 0.000 1.164 193 A HN 0.845 nan 8.150 nan 0.000 0.505 194 G N 0.133 108.656 108.800 -0.461 0.000 2.351 194 G HA2 0.507 4.466 3.960 -0.001 0.000 0.279 194 G HA3 0.507 4.466 3.960 -0.001 0.000 0.279 194 G C -0.923 173.007 174.900 -1.618 0.000 1.297 194 G CA 0.046 44.573 45.100 -0.955 0.000 0.886 194 G HN 1.062 nan 8.290 nan 0.000 0.493 195 T N -0.086 113.602 114.554 -1.444 0.000 2.956 195 T HA 0.588 4.937 4.350 -0.001 0.000 0.312 195 T C -1.376 173.088 174.700 -0.393 0.000 1.151 195 T CA -0.239 61.309 62.100 -0.920 0.000 1.024 195 T CB 1.993 70.565 68.868 -0.494 0.000 1.140 195 T HN 0.952 nan 8.240 nan 0.000 0.473 196 I N 2.283 122.823 120.570 -0.050 0.000 2.433 196 I HA 0.407 4.577 4.170 -0.001 0.000 0.292 196 I C 1.265 177.397 176.117 0.026 0.000 1.001 196 I CA -0.588 60.800 61.300 0.146 0.000 1.119 196 I CB 1.907 40.123 38.000 0.360 0.000 1.289 196 I HN 0.781 nan 8.210 nan 0.000 0.438 197 Q N 5.145 124.954 119.800 0.016 0.000 1.967 197 Q HA -0.210 4.130 4.340 -0.001 0.000 0.202 197 Q C 0.767 176.743 176.000 -0.041 0.000 0.985 197 Q CA 2.041 57.835 55.803 -0.015 0.000 0.839 197 Q CB -0.137 28.617 28.738 0.026 0.000 0.906 197 Q HN 0.820 nan 8.270 nan 0.000 0.423 198 N N 0.836 119.513 118.700 -0.038 0.000 2.735 198 N HA -0.188 4.551 4.740 -0.001 0.000 0.248 198 N C -1.606 173.810 175.510 -0.156 0.000 1.083 198 N CA 0.437 53.433 53.050 -0.091 0.000 0.703 198 N CB -0.653 37.782 38.487 -0.086 0.000 1.005 198 N HN 0.315 nan 8.380 nan 0.000 0.550 199 D N 0.851 121.194 120.400 -0.094 0.000 2.446 199 D HA 0.225 4.864 4.640 -0.001 0.000 0.251 199 D C 0.580 176.901 176.300 0.036 0.000 1.137 199 D CA -0.572 53.407 54.000 -0.034 0.000 0.890 199 D CB 0.667 41.473 40.800 0.011 0.000 1.071 199 D HN 0.251 nan 8.370 nan 0.000 0.528 200 I N 3.503 124.133 120.570 0.100 0.000 2.876 200 I HA 0.011 4.181 4.170 -0.001 0.000 0.264 200 I C 1.984 178.152 176.117 0.085 0.000 1.204 200 I CA 0.518 61.832 61.300 0.024 0.000 1.485 200 I CB 0.193 38.219 38.000 0.043 0.000 1.103 200 I HN 0.470 nan 8.210 nan 0.000 0.446 201 L N 0.510 121.870 121.223 0.227 0.000 2.079 201 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 201 L C 2.310 179.255 176.870 0.125 0.000 1.081 201 L CA 1.782 56.732 54.840 0.183 0.000 0.752 201 L CB -0.850 41.230 42.059 0.036 0.000 0.896 201 L HN 0.299 nan 8.230 nan 0.000 0.433 202 K N -0.845 119.606 120.400 0.085 0.000 2.366 202 K HA -0.062 4.258 4.320 -0.001 0.000 0.198 202 K C 1.658 178.250 176.600 -0.013 0.000 1.044 202 K CA 0.660 56.978 56.287 0.050 0.000 0.973 202 K CB -0.156 32.388 32.500 0.073 0.000 0.767 202 K HN 0.127 nan 8.250 nan 0.000 0.475 203 E N 0.692 120.838 120.200 -0.090 0.000 2.072 203 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 203 E C 1.727 178.296 176.600 -0.052 0.000 0.985 203 E CA 1.189 57.500 56.400 -0.148 0.000 0.801 203 E CB -0.321 29.212 29.700 -0.278 0.000 0.750 203 E HN 0.392 nan 8.360 nan 0.000 0.452 204 F N 0.670 120.664 119.950 0.073 0.000 2.146 204 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 204 F C 2.587 178.390 175.800 0.005 0.000 1.096 204 F CA 0.848 58.817 58.000 -0.052 0.000 1.275 204 F CB -0.575 38.271 39.000 -0.257 0.000 1.008 204 F HN -0.025 nan 8.300 nan 0.000 0.480 205 M N 0.130 119.827 119.600 0.162 0.000 2.067 205 M HA -0.145 4.335 4.480 -0.001 0.000 0.260 205 M C 1.645 177.994 176.300 0.081 0.000 1.069 205 M CA 2.489 57.838 55.300 0.081 0.000 1.117 205 M CB 0.019 32.638 32.600 0.032 0.000 1.334 205 M HN 0.129 nan 8.290 nan 0.000 0.407 206 V N -5.430 114.527 119.914 0.072 0.000 3.180 206 V HA 0.196 4.316 4.120 -0.001 0.000 0.246 206 V C 1.739 177.851 176.094 0.031 0.000 1.545 206 V CA 0.011 62.346 62.300 0.058 0.000 1.138 206 V CB -0.420 31.439 31.823 0.060 0.000 0.978 206 V HN 0.359 nan 8.190 nan 0.000 0.437 207 R N 0.755 121.245 120.500 -0.016 0.000 2.200 207 R HA 0.103 4.443 4.340 -0.001 0.000 0.208 207 R C 0.454 176.685 176.300 -0.115 0.000 1.033 207 R CA 0.862 56.904 56.100 -0.096 0.000 1.000 207 R CB 0.060 30.218 30.300 -0.236 0.000 0.906 207 R HN 0.654 nan 8.270 nan 0.000 0.462 208 N N 0.556 119.225 118.700 -0.052 0.000 2.758 208 N HA -0.135 4.605 4.740 -0.001 0.000 0.248 208 N C -0.595 174.726 175.510 -0.314 0.000 1.076 208 N CA 1.616 54.603 53.050 -0.105 0.000 0.696 208 N CB -1.565 36.907 38.487 -0.025 0.000 0.979 208 N HN 0.505 nan 8.380 nan 0.000 0.550 209 T N -3.598 110.710 114.554 -0.410 0.000 3.442 209 T HA 0.254 4.604 4.350 -0.001 0.000 0.295 209 T C 0.439 174.894 174.700 -0.408 0.000 1.007 209 T CA -0.725 61.132 62.100 -0.405 0.000 0.962 209 T CB -0.407 68.261 68.868 -0.333 0.000 1.187 209 T HN 0.268 nan 8.240 nan 0.000 0.490 210 Y N -0.115 120.029 120.300 -0.260 0.000 2.330 210 Y HA 0.683 5.232 4.550 -0.001 0.000 0.341 210 Y C 0.971 176.697 175.900 -0.289 0.000 1.278 210 Y CA -1.582 56.283 58.100 -0.391 0.000 1.453 210 Y CB 0.353 38.373 38.460 -0.733 0.000 1.342 210 Y HN -0.000 nan 8.280 nan 0.000 0.590 211 I N -1.384 119.087 120.570 -0.165 0.000 3.632 211 I HA 0.088 4.258 4.170 -0.001 0.000 0.246 211 I C -0.278 175.692 176.117 -0.245 0.000 1.125 211 I CA -0.479 60.558 61.300 -0.438 0.000 1.519 211 I CB 0.059 37.430 38.000 -1.049 0.000 1.555 211 I HN 0.446 nan 8.210 nan 0.000 0.452 212 Y N 1.971 122.373 120.300 0.171 0.000 2.326 212 Y HA 0.372 4.921 4.550 -0.001 0.000 0.324 212 Y C -2.232 173.790 175.900 0.203 0.000 1.291 212 Y CA -3.239 54.964 58.100 0.171 0.000 1.348 212 Y CB -0.991 37.506 38.460 0.061 0.000 1.294 212 Y HN -0.080 nan 8.280 nan 0.000 0.525 213 P HA 0.056 nan 4.420 nan 0.000 0.271 213 P C -2.087 175.164 177.300 -0.081 0.000 1.244 213 P CA -1.136 62.002 63.100 0.064 0.000 0.793 213 P CB 0.200 31.966 31.700 0.109 0.000 0.984 214 P HA -0.226 nan 4.420 nan 0.000 0.215 214 P C 1.690 178.859 177.300 -0.218 0.000 1.157 214 P CA 1.622 64.435 63.100 -0.477 0.000 0.874 214 P CB -0.187 31.048 31.700 -0.774 0.000 0.790 215 Q N -0.595 119.081 119.800 -0.205 0.000 1.993 215 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 215 Q C -0.646 175.218 176.000 -0.227 0.000 0.984 215 Q CA 2.631 58.330 55.803 -0.174 0.000 0.837 215 Q CB -2.024 26.630 28.738 -0.140 0.000 0.902 215 Q HN 0.190 nan 8.270 nan 0.000 0.423 216 P HA -0.067 nan 4.420 nan 0.000 0.215 216 P C 1.529 178.522 177.300 -0.512 0.000 1.153 216 P CA 1.444 64.108 63.100 -0.726 0.000 0.853 216 P CB -0.240 30.687 31.700 -1.287 0.000 0.788 217 S N -0.811 114.766 115.700 -0.204 0.000 2.370 217 S HA -0.167 4.302 4.470 -0.001 0.000 0.226 217 S C 1.910 176.484 174.600 -0.042 0.000 1.033 217 S CA 1.585 59.774 58.200 -0.019 0.000 1.011 217 S CB -0.834 62.468 63.200 0.170 0.000 0.852 217 S HN 0.078 nan 8.310 nan 0.000 0.457 218 M N 1.362 120.934 119.600 -0.047 0.000 2.229 218 M HA 0.031 4.511 4.480 -0.001 0.000 0.264 218 M C 1.903 178.147 176.300 -0.093 0.000 1.063 218 M CA 1.211 56.493 55.300 -0.030 0.000 1.114 218 M CB -0.226 32.362 32.600 -0.020 0.000 1.387 218 M HN 0.136 nan 8.290 nan 0.000 0.420 219 R N -0.079 120.332 120.500 -0.148 0.000 2.075 219 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 219 R C 2.021 178.230 176.300 -0.152 0.000 1.126 219 R CA 1.651 57.663 56.100 -0.147 0.000 0.963 219 R CB -0.473 29.724 30.300 -0.172 0.000 0.858 219 R HN 0.424 nan 8.270 nan 0.000 0.435 220 I N 0.954 121.424 120.570 -0.167 0.000 2.163 220 I HA -0.343 3.827 4.170 -0.001 0.000 0.243 220 I C 2.338 178.338 176.117 -0.194 0.000 1.085 220 I CA 1.498 62.717 61.300 -0.136 0.000 1.347 220 I CB -0.247 37.696 38.000 -0.095 0.000 1.044 220 I HN 0.234 nan 8.210 nan 0.000 0.408 221 I N 0.469 120.886 120.570 -0.256 0.000 2.163 221 I HA -0.347 3.823 4.170 -0.001 0.000 0.243 221 I C 2.821 178.471 176.117 -0.780 0.000 1.085 221 I CA 1.929 62.929 61.300 -0.499 0.000 1.347 221 I CB -0.497 37.238 38.000 -0.442 0.000 1.044 221 I HN 0.357 nan 8.210 nan 0.000 0.408 222 S N 0.382 115.785 115.700 -0.495 0.000 2.399 222 S HA -0.209 4.260 4.470 -0.001 0.000 0.231 222 S C 1.783 176.285 174.600 -0.164 0.000 1.022 222 S CA 1.277 59.294 58.200 -0.306 0.000 0.983 222 S CB -0.445 62.685 63.200 -0.116 0.000 0.803 222 S HN 0.489 nan 8.310 nan 0.000 0.480 223 E N 0.667 120.783 120.200 -0.141 0.000 2.152 223 E HA 0.031 4.381 4.350 -0.001 0.000 0.192 223 E C 2.004 178.591 176.600 -0.021 0.000 0.983 223 E CA 1.111 57.475 56.400 -0.060 0.000 0.818 223 E CB -0.245 29.422 29.700 -0.055 0.000 0.758 223 E HN 0.628 nan 8.360 nan 0.000 0.467 224 I N 0.574 121.091 120.570 -0.088 0.000 2.286 224 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 224 I C 1.986 178.189 176.117 0.144 0.000 1.104 224 I CA 0.699 61.992 61.300 -0.011 0.000 1.397 224 I CB -0.188 37.759 38.000 -0.088 0.000 1.072 224 I HN -0.002 nan 8.210 nan 0.000 0.417 225 F N 1.360 121.310 119.950 -0.001 0.000 2.069 225 F HA -0.252 4.275 4.527 -0.001 0.000 0.298 225 F C 2.698 178.475 175.800 -0.039 0.000 1.113 225 F CA 1.113 59.091 58.000 -0.037 0.000 1.214 225 F CB -1.607 37.264 39.000 -0.214 0.000 0.978 225 F HN 0.042 nan 8.300 nan 0.000 0.474 226 A N -0.892 122.006 122.820 0.129 0.000 1.883 226 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 226 A C 2.212 179.859 177.584 0.106 0.000 1.186 226 A CA 1.707 53.788 52.037 0.073 0.000 0.624 226 A CB -1.600 17.425 19.000 0.042 0.000 0.822 226 A HN 0.441 nan 8.150 nan 0.000 0.444 227 Y N 1.564 121.878 120.300 0.024 0.000 2.114 227 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 227 Y C 3.046 178.967 175.900 0.036 0.000 1.143 227 Y CA 2.831 60.940 58.100 0.015 0.000 1.135 227 Y CB -0.573 37.879 38.460 -0.012 0.000 0.980 227 Y HN 0.481 nan 8.280 nan 0.000 0.499 228 T N -3.141 111.557 114.554 0.241 0.000 2.746 228 T HA -0.223 4.127 4.350 -0.001 0.000 0.267 228 T C 2.208 176.972 174.700 0.107 0.000 1.039 228 T CA 1.503 63.715 62.100 0.187 0.000 1.142 228 T CB -1.079 67.969 68.868 0.299 0.000 0.866 228 T HN 0.329 nan 8.240 nan 0.000 0.444 229 S N 1.371 117.139 115.700 0.114 0.000 2.370 229 S HA -0.045 4.425 4.470 -0.001 0.000 0.226 229 S C 2.402 177.009 174.600 0.012 0.000 1.033 229 S CA 1.475 59.724 58.200 0.083 0.000 1.011 229 S CB -0.967 62.294 63.200 0.102 0.000 0.852 229 S HN 0.777 nan 8.310 nan 0.000 0.457 230 A N 1.707 124.495 122.820 -0.053 0.000 1.854 230 A HA 0.019 4.339 4.320 -0.001 0.000 0.214 230 A C 1.984 179.477 177.584 -0.151 0.000 1.192 230 A CA 1.433 53.409 52.037 -0.101 0.000 0.611 230 A CB -0.464 18.454 19.000 -0.136 0.000 0.832 230 A HN 0.665 nan 8.150 nan 0.000 0.442 231 N N -1.660 116.871 118.700 -0.283 0.000 2.368 231 N HA 0.202 4.942 4.740 -0.001 0.000 0.178 231 N C -0.182 175.248 175.510 -0.133 0.000 1.076 231 N CA 0.374 53.247 53.050 -0.296 0.000 0.889 231 N CB 0.542 38.628 38.487 -0.669 0.000 1.040 231 N HN 0.386 nan 8.380 nan 0.000 0.463 232 M N 1.551 121.125 119.600 -0.043 0.000 1.986 232 M HA 0.252 4.731 4.480 -0.001 0.000 0.247 232 M C -2.022 174.365 176.300 0.145 0.000 0.851 232 M CA -1.566 53.782 55.300 0.080 0.000 0.785 232 M CB 2.544 35.214 32.600 0.117 0.000 1.554 232 M HN -0.200 nan 8.290 nan 0.000 0.361 233 P HA -0.076 nan 4.420 nan 0.000 0.223 233 P C 0.347 177.720 177.300 0.121 0.000 1.151 233 P CA 1.173 64.334 63.100 0.102 0.000 0.787 233 P CB 0.146 31.885 31.700 0.066 0.000 0.788 234 K N -2.146 118.344 120.400 0.149 0.000 2.404 234 K HA 0.042 4.361 4.320 -0.001 0.000 0.194 234 K C 0.591 177.296 176.600 0.175 0.000 1.023 234 K CA -0.173 56.196 56.287 0.137 0.000 1.094 234 K CB 0.111 32.689 32.500 0.129 0.000 0.841 234 K HN 0.201 nan 8.250 nan 0.000 0.523 235 W N 3.018 124.346 121.300 0.047 0.000 2.338 235 W HA 0.192 4.852 4.660 -0.000 0.000 0.307 235 W C -0.881 175.663 176.519 0.041 0.000 1.167 235 W CA -0.510 56.862 57.345 0.044 0.000 1.208 235 W CB 0.627 30.127 29.460 0.066 0.000 1.228 235 W HN -0.016 nan 8.180 nan 0.000 0.499 236 N N 3.553 121.974 118.700 -0.465 0.000 2.401 236 N HA -0.061 4.678 4.740 -0.001 0.000 0.255 236 N C 1.180 176.609 175.510 -0.134 0.000 1.110 236 N CA 0.307 53.211 53.050 -0.244 0.000 0.949 236 N CB 1.533 39.846 38.487 -0.290 0.000 1.110 236 N HN 0.411 nan 8.380 nan 0.000 0.490 237 S N 2.119 117.901 115.700 0.136 0.000 2.489 237 S HA 0.076 4.546 4.470 -0.001 0.000 0.228 237 S C 0.798 175.539 174.600 0.235 0.000 0.995 237 S CA 0.293 58.690 58.200 0.328 0.000 0.934 237 S CB 0.303 63.778 63.200 0.458 0.000 0.771 237 S HN 0.650 nan 8.310 nan 0.000 0.522 238 I N -0.319 120.301 120.570 0.085 0.000 2.908 238 I HA 0.419 4.589 4.170 -0.001 0.000 0.300 238 I C -1.590 174.434 176.117 -0.154 0.000 1.385 238 I CA -0.544 60.733 61.300 -0.039 0.000 1.004 238 I CB 2.071 40.049 38.000 -0.037 0.000 1.309 238 I HN 0.010 nan 8.210 nan 0.000 0.449 239 S N 7.399 122.998 115.700 -0.168 0.000 2.269 239 S HA 0.525 4.994 4.470 -0.001 0.000 0.194 239 S C -0.458 174.041 174.600 -0.169 0.000 1.547 239 S CA -0.585 57.512 58.200 -0.171 0.000 1.186 239 S CB -0.195 62.935 63.200 -0.116 0.000 1.069 239 S HN 0.409 nan 8.310 nan 0.000 0.473 240 I N 3.972 124.301 120.570 -0.401 0.000 2.576 240 I HA 0.076 4.245 4.170 -0.001 0.000 0.288 240 I C 0.462 176.424 176.117 -0.259 0.000 1.126 240 I CA 0.306 61.367 61.300 -0.398 0.000 1.362 240 I CB 0.270 37.778 38.000 -0.819 0.000 1.419 240 I HN 0.410 nan 8.210 nan 0.000 0.533 241 S N 4.289 119.972 115.700 -0.028 0.000 2.489 241 S HA 0.513 4.983 4.470 -0.001 0.000 0.291 241 S C 0.957 175.570 174.600 0.021 0.000 1.151 241 S CA -0.568 57.650 58.200 0.029 0.000 1.082 241 S CB 1.843 65.228 63.200 0.307 0.000 1.019 241 S HN 0.820 nan 8.310 nan 0.000 0.492 242 G N 0.203 108.948 108.800 -0.091 0.000 2.833 242 G HA2 0.015 3.974 3.960 -0.001 0.000 0.214 242 G HA3 0.015 3.974 3.960 -0.001 0.000 0.214 242 G C 0.862 175.726 174.900 -0.059 0.000 1.075 242 G CA -0.191 44.962 45.100 0.088 0.000 0.799 242 G HN 0.689 nan 8.290 nan 0.000 0.541 243 Y N 2.143 122.099 120.300 -0.573 0.000 2.081 243 Y HA -0.314 4.235 4.550 -0.001 0.000 0.280 243 Y C 2.720 178.294 175.900 -0.544 0.000 1.163 243 Y CA 2.639 60.288 58.100 -0.751 0.000 1.135 243 Y CB -0.377 37.125 38.460 -1.597 0.000 0.970 243 Y HN 0.401 nan 8.280 nan 0.000 0.498 244 H N -0.685 118.259 119.070 -0.211 0.000 2.390 244 H HA -0.224 4.331 4.556 -0.001 0.000 0.298 244 H C 2.168 177.406 175.328 -0.149 0.000 1.106 244 H CA 2.161 58.115 56.048 -0.155 0.000 1.297 244 H CB -0.521 29.233 29.762 -0.013 0.000 1.375 244 H HN 0.408 nan 8.280 nan 0.000 0.509 245 M N 0.151 119.749 119.600 -0.004 0.000 2.159 245 M HA -0.218 4.262 4.480 -0.001 0.000 0.263 245 M C 2.422 178.650 176.300 -0.119 0.000 1.063 245 M CA 1.702 56.995 55.300 -0.012 0.000 1.110 245 M CB -0.256 32.388 32.600 0.073 0.000 1.374 245 M HN 0.336 nan 8.290 nan 0.000 0.411 246 Q N 0.688 120.370 119.800 -0.198 0.000 2.079 246 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 246 Q C 1.852 177.651 176.000 -0.334 0.000 0.974 246 Q CA 1.174 56.828 55.803 -0.247 0.000 0.840 246 Q CB 0.177 28.778 28.738 -0.228 0.000 0.898 246 Q HN 0.397 nan 8.270 nan 0.000 0.430 247 E N 0.051 120.006 120.200 -0.407 0.000 2.204 247 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 247 E C 1.628 178.079 176.600 -0.249 0.000 0.990 247 E CA 1.071 57.278 56.400 -0.322 0.000 0.821 247 E CB -0.089 29.394 29.700 -0.361 0.000 0.750 247 E HN 0.467 nan 8.360 nan 0.000 0.477 248 A N -0.146 122.558 122.820 -0.193 0.000 2.123 248 A HA 0.269 4.589 4.320 -0.001 0.000 0.214 248 A C 1.736 179.186 177.584 -0.223 0.000 1.152 248 A CA 1.290 53.240 52.037 -0.145 0.000 0.728 248 A CB 0.227 19.193 19.000 -0.057 0.000 0.814 248 A HN 0.316 nan 8.150 nan 0.000 0.464 249 G N -2.641 105.983 108.800 -0.294 0.000 2.507 249 G HA2 0.303 4.263 3.960 -0.001 0.000 0.205 249 G HA3 0.303 4.263 3.960 -0.001 0.000 0.205 249 G C 0.285 175.038 174.900 -0.244 0.000 0.996 249 G CA 0.017 44.915 45.100 -0.337 0.000 0.776 249 G HN 1.204 nan 8.290 nan 0.000 0.532 250 A N 1.103 123.809 122.820 -0.189 0.000 2.445 250 A HA 0.662 4.981 4.320 -0.001 0.000 0.242 250 A C 1.114 178.594 177.584 -0.174 0.000 1.075 250 A CA 1.069 53.010 52.037 -0.160 0.000 0.777 250 A CB 0.092 19.018 19.000 -0.124 0.000 1.013 250 A HN 1.589 nan 8.150 nan 0.000 0.493 251 T N -0.644 113.812 114.554 -0.163 0.000 2.828 251 T HA 0.488 4.837 4.350 -0.001 0.000 0.290 251 T C 1.418 176.031 174.700 -0.144 0.000 1.019 251 T CA -0.066 61.947 62.100 -0.145 0.000 1.031 251 T CB 1.080 69.871 68.868 -0.128 0.000 1.001 251 T HN 1.284 nan 8.240 nan 0.000 0.531 252 A N 1.766 124.503 122.820 -0.139 0.000 1.892 252 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 252 A C 2.117 179.605 177.584 -0.159 0.000 1.188 252 A CA 2.099 54.040 52.037 -0.161 0.000 0.631 252 A CB -1.150 17.746 19.000 -0.174 0.000 0.822 252 A HN 1.030 nan 8.150 nan 0.000 0.447 253 D N -0.377 119.951 120.400 -0.120 0.000 2.219 253 D HA -0.134 4.505 4.640 -0.001 0.000 0.205 253 D C 1.714 178.009 176.300 -0.009 0.000 0.970 253 D CA 1.067 55.031 54.000 -0.060 0.000 0.851 253 D CB -0.363 40.427 40.800 -0.016 0.000 0.943 253 D HN 0.381 nan 8.370 nan 0.000 0.488 254 I N 1.246 121.724 120.570 -0.154 0.000 2.400 254 I HA -0.100 4.070 4.170 -0.001 0.000 0.248 254 I C 2.538 178.448 176.117 -0.345 0.000 1.109 254 I CA 0.542 61.572 61.300 -0.450 0.000 1.425 254 I CB -0.898 36.767 38.000 -0.557 0.000 1.094 254 I HN 0.132 nan 8.210 nan 0.000 0.425 255 E N 1.120 121.231 120.200 -0.147 0.000 2.023 255 E HA -0.252 4.097 4.350 -0.001 0.000 0.196 255 E C 2.381 179.081 176.600 0.167 0.000 1.003 255 E CA 1.644 58.057 56.400 0.022 0.000 0.809 255 E CB -0.034 29.673 29.700 0.011 0.000 0.755 255 E HN 0.281 nan 8.360 nan 0.000 0.449 256 M N 0.396 120.012 119.600 0.027 0.000 2.110 256 M HA -0.259 4.220 4.480 -0.001 0.000 0.257 256 M C 2.562 178.987 176.300 0.209 0.000 1.071 256 M CA 1.987 57.315 55.300 0.046 0.000 1.096 256 M CB -0.514 32.013 32.600 -0.122 0.000 1.300 256 M HN 0.297 nan 8.290 nan 0.000 0.411 257 A N -0.488 122.412 122.820 0.132 0.000 1.902 257 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 257 A C 1.852 179.618 177.584 0.305 0.000 1.181 257 A CA 1.555 53.707 52.037 0.192 0.000 0.623 257 A CB -0.972 18.131 19.000 0.172 0.000 0.818 257 A HN 0.493 nan 8.150 nan 0.000 0.443 258 Y N 0.683 121.064 120.300 0.135 0.000 2.263 258 Y HA -0.077 4.473 4.550 -0.001 0.000 0.292 258 Y C 2.931 178.921 175.900 0.149 0.000 1.130 258 Y CA 1.093 59.257 58.100 0.105 0.000 1.179 258 Y CB -1.479 37.016 38.460 0.058 0.000 0.998 258 Y HN 0.308 nan 8.280 nan 0.000 0.532 259 T N 0.713 115.490 114.554 0.372 0.000 2.708 259 T HA -0.146 4.204 4.350 -0.001 0.000 0.266 259 T C 2.219 177.134 174.700 0.359 0.000 1.037 259 T CA 1.364 63.655 62.100 0.319 0.000 1.146 259 T CB -0.618 68.456 68.868 0.342 0.000 0.865 259 T HN 0.194 nan 8.240 nan 0.000 0.435 260 L N 0.686 122.164 121.223 0.426 0.000 2.093 260 L HA 0.010 4.349 4.340 -0.001 0.000 0.208 260 L C 3.029 180.173 176.870 0.458 0.000 1.085 260 L CA 1.030 56.161 54.840 0.484 0.000 0.755 260 L CB -0.638 41.709 42.059 0.479 0.000 0.904 260 L HN 0.236 nan 8.230 nan 0.000 0.435 261 A N -0.207 122.809 122.820 0.327 0.000 1.898 261 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 261 A C 1.915 179.599 177.584 0.165 0.000 1.181 261 A CA 1.670 53.845 52.037 0.230 0.000 0.620 261 A CB -0.463 18.639 19.000 0.169 0.000 0.819 261 A HN 0.303 nan 8.150 nan 0.000 0.442 262 D N 0.025 120.499 120.400 0.123 0.000 2.106 262 D HA -0.141 4.498 4.640 -0.001 0.000 0.191 262 D C 2.092 178.399 176.300 0.011 0.000 0.997 262 D CA 1.693 55.677 54.000 -0.026 0.000 0.834 262 D CB -0.843 39.980 40.800 0.038 0.000 0.956 262 D HN 0.415 nan 8.370 nan 0.000 0.448 263 G N 0.593 109.554 108.800 0.269 0.000 2.469 263 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 263 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 263 G C 1.885 177.129 174.900 0.574 0.000 1.150 263 G CA 1.184 46.554 45.100 0.452 0.000 0.763 263 G HN 0.278 nan 8.290 nan 0.000 0.561 264 V N 1.147 121.364 119.914 0.505 0.000 2.332 264 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 264 V C 2.572 178.825 176.094 0.265 0.000 1.055 264 V CA 2.250 64.792 62.300 0.402 0.000 1.038 264 V CB -0.480 31.554 31.823 0.352 0.000 0.651 264 V HN 0.251 nan 8.190 nan 0.000 0.450 265 D N -0.980 119.488 120.400 0.115 0.000 2.117 265 D HA -0.160 4.479 4.640 -0.001 0.000 0.197 265 D C 2.055 178.385 176.300 0.051 0.000 0.987 265 D CA 1.349 55.349 54.000 -0.000 0.000 0.829 265 D CB -0.287 40.404 40.800 -0.182 0.000 0.961 265 D HN 0.534 nan 8.370 nan 0.000 0.460 266 Y N 0.519 120.961 120.300 0.237 0.000 2.352 266 Y HA -0.012 4.537 4.550 -0.001 0.000 0.292 266 Y C 2.315 178.452 175.900 0.395 0.000 1.136 266 Y CA 0.192 58.501 58.100 0.348 0.000 1.227 266 Y CB -0.552 38.142 38.460 0.389 0.000 0.991 266 Y HN 0.047 nan 8.280 nan 0.000 0.545 267 I N -0.547 120.248 120.570 0.375 0.000 2.286 267 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 267 I C 2.384 178.598 176.117 0.163 0.000 1.104 267 I CA 1.125 62.523 61.300 0.164 0.000 1.397 267 I CB -0.323 37.418 38.000 -0.431 0.000 1.072 267 I HN 0.094 nan 8.210 nan 0.000 0.417 268 R N 0.842 121.440 120.500 0.162 0.000 2.073 268 R HA -0.151 4.189 4.340 -0.001 0.000 0.234 268 R C 2.496 178.896 176.300 0.167 0.000 1.134 268 R CA 1.543 57.754 56.100 0.186 0.000 0.952 268 R CB -0.542 29.873 30.300 0.191 0.000 0.850 268 R HN 0.356 nan 8.270 nan 0.000 0.433 269 A N 0.774 123.713 122.820 0.199 0.000 1.892 269 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 269 A C 2.391 180.057 177.584 0.137 0.000 1.188 269 A CA 2.002 54.144 52.037 0.175 0.000 0.631 269 A CB -1.241 17.903 19.000 0.241 0.000 0.822 269 A HN 0.502 nan 8.150 nan 0.000 0.447 270 G N -0.829 108.056 108.800 0.140 0.000 2.402 270 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.216 270 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.216 270 G C 1.419 176.179 174.900 -0.234 0.000 1.162 270 G CA 0.864 45.743 45.100 -0.367 0.000 0.777 270 G HN 0.644 nan 8.290 nan 0.000 0.539 271 E N 0.836 121.062 120.200 0.043 0.000 2.118 271 E HA -0.172 4.178 4.350 -0.001 0.000 0.195 271 E C 2.834 179.467 176.600 0.054 0.000 0.992 271 E CA 1.389 57.845 56.400 0.093 0.000 0.804 271 E CB -0.176 29.614 29.700 0.150 0.000 0.741 271 E HN 0.579 nan 8.360 nan 0.000 0.458 272 S N 0.589 116.317 115.700 0.047 0.000 2.507 272 S HA -0.079 4.390 4.470 -0.001 0.000 0.235 272 S C 1.841 176.444 174.600 0.006 0.000 0.988 272 S CA 0.982 59.200 58.200 0.031 0.000 0.944 272 S CB -0.163 63.056 63.200 0.032 0.000 0.762 272 S HN 0.190 nan 8.310 nan 0.000 0.526 273 V N -3.155 116.750 119.914 -0.014 0.000 3.376 273 V HA 0.760 4.879 4.120 -0.001 0.000 0.313 273 V C 1.304 177.388 176.094 -0.018 0.000 1.393 273 V CA 0.058 62.345 62.300 -0.022 0.000 1.125 273 V CB -0.738 31.064 31.823 -0.035 0.000 1.037 273 V HN 0.673 nan 8.190 nan 0.000 0.440 274 G N 0.664 109.461 108.800 -0.005 0.000 2.195 274 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.224 274 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.224 274 G C -0.096 174.816 174.900 0.019 0.000 0.990 274 G CA 0.036 45.142 45.100 0.010 0.000 0.639 274 G HN 0.532 nan 8.290 nan 0.000 0.514 275 L N 1.723 122.943 121.223 -0.005 0.000 2.349 275 L HA 0.341 4.681 4.340 -0.001 0.000 0.275 275 L C 1.007 177.965 176.870 0.146 0.000 1.115 275 L CA -0.798 54.065 54.840 0.038 0.000 0.820 275 L CB 0.817 42.819 42.059 -0.095 0.000 1.135 275 L HN 0.310 nan 8.230 nan 0.000 0.445 276 N N 1.709 120.503 118.700 0.157 0.000 2.444 276 N HA -0.027 4.712 4.740 -0.001 0.000 0.255 276 N C 0.879 176.524 175.510 0.225 0.000 1.255 276 N CA -0.040 53.104 53.050 0.156 0.000 0.933 276 N CB 1.633 40.182 38.487 0.103 0.000 1.143 276 N HN 0.468 nan 8.380 nan 0.000 0.453 277 V N 2.218 122.195 119.914 0.106 0.000 2.392 277 V HA -0.198 3.922 4.120 -0.001 0.000 0.249 277 V C 1.260 177.224 176.094 -0.217 0.000 1.059 277 V CA 1.954 64.169 62.300 -0.141 0.000 1.051 277 V CB -0.475 31.223 31.823 -0.209 0.000 0.658 277 V HN 0.660 nan 8.190 nan 0.000 0.455 278 D N -0.695 119.670 120.400 -0.058 0.000 2.350 278 D HA -0.145 4.495 4.640 -0.001 0.000 0.216 278 D C 2.082 178.394 176.300 0.020 0.000 0.968 278 D CA 0.901 54.885 54.000 -0.028 0.000 0.894 278 D CB -0.059 40.750 40.800 0.015 0.000 0.909 278 D HN 0.636 nan 8.370 nan 0.000 0.520 279 Q N -0.759 119.099 119.800 0.096 0.000 2.389 279 Q HA -0.014 4.326 4.340 -0.001 0.000 0.204 279 Q C 1.151 177.279 176.000 0.214 0.000 0.944 279 Q CA 0.570 56.461 55.803 0.146 0.000 0.908 279 Q CB 0.178 29.015 28.738 0.166 0.000 1.002 279 Q HN 0.469 nan 8.270 nan 0.000 0.493 280 F N -4.400 115.511 119.950 -0.064 0.000 2.964 280 F HA 0.560 5.087 4.527 -0.000 0.000 0.371 280 F C 1.464 177.170 175.800 -0.155 0.000 1.026 280 F CA 0.011 57.935 58.000 -0.126 0.000 1.106 280 F CB -0.320 38.547 39.000 -0.222 0.000 1.135 280 F HN -0.148 nan 8.300 nan 0.000 0.557 281 A N 1.708 124.109 122.820 -0.698 0.000 1.930 281 A HA 0.116 4.436 4.320 -0.001 0.000 0.217 281 A C -0.356 177.145 177.584 -0.138 0.000 1.175 281 A CA 1.518 53.270 52.037 -0.474 0.000 0.627 281 A CB -1.988 16.741 19.000 -0.451 0.000 0.815 281 A HN 0.338 nan 8.150 nan 0.000 0.443 282 P HA -0.107 nan 4.420 nan 0.000 0.222 282 P C 0.995 178.308 177.300 0.022 0.000 1.147 282 P CA 0.934 64.038 63.100 0.006 0.000 0.790 282 P CB 0.022 31.736 31.700 0.024 0.000 0.780 283 R N -1.037 119.468 120.500 0.009 0.000 2.468 283 R HA 0.274 4.614 4.340 -0.001 0.000 0.280 283 R C 0.420 176.713 176.300 -0.012 0.000 0.963 283 R CA -0.338 55.774 56.100 0.020 0.000 1.083 283 R CB -0.458 29.883 30.300 0.069 0.000 1.200 283 R HN 0.303 nan 8.270 nan 0.000 0.541 284 L N 1.479 122.677 121.223 -0.042 0.000 2.380 284 L HA 0.201 4.540 4.340 -0.001 0.000 0.273 284 L C 0.797 177.614 176.870 -0.089 0.000 1.138 284 L CA -0.090 54.696 54.840 -0.089 0.000 0.832 284 L CB 1.034 43.046 42.059 -0.079 0.000 1.124 284 L HN 0.008 nan 8.230 nan 0.000 0.454 285 S N 1.804 117.384 115.700 -0.200 0.000 2.632 285 S HA 0.781 5.250 4.470 -0.001 0.000 0.289 285 S C -0.909 173.472 174.600 -0.366 0.000 1.115 285 S CA -0.721 57.386 58.200 -0.156 0.000 0.889 285 S CB 1.855 64.986 63.200 -0.115 0.000 1.116 285 S HN 0.292 nan 8.310 nan 0.000 0.486 286 F N 0.528 120.323 119.950 -0.258 0.000 2.661 286 F HA 0.846 5.372 4.527 -0.000 0.000 0.347 286 F C -0.666 174.989 175.800 -0.241 0.000 1.086 286 F CA -0.997 56.771 58.000 -0.387 0.000 1.016 286 F CB 1.850 40.452 39.000 -0.664 0.000 1.368 286 F HN 0.669 nan 8.300 nan 0.000 0.505 287 F N 1.272 120.992 119.950 -0.383 0.000 2.722 287 F HA 0.403 4.930 4.527 -0.001 0.000 0.336 287 F C -2.215 173.395 175.800 -0.316 0.000 1.216 287 F CA -1.673 56.184 58.000 -0.239 0.000 1.065 287 F CB 0.579 39.540 39.000 -0.065 0.000 1.325 287 F HN 0.443 nan 8.300 nan 0.000 0.524 288 W N 4.020 125.446 121.300 0.210 0.000 2.639 288 W HA 0.710 5.370 4.660 -0.000 0.000 0.347 288 W C 0.441 176.931 176.519 -0.048 0.000 1.067 288 W CA -1.344 55.991 57.345 -0.016 0.000 1.218 288 W CB 2.044 31.503 29.460 -0.002 0.000 1.393 288 W HN 0.920 nan 8.180 nan 0.000 0.557 289 G N 2.113 111.071 108.800 0.263 0.000 2.400 289 G HA2 0.591 4.550 3.960 -0.001 0.000 0.301 289 G HA3 0.591 4.550 3.960 -0.001 0.000 0.301 289 G C -1.113 173.890 174.900 0.171 0.000 1.154 289 G CA -0.555 44.699 45.100 0.257 0.000 0.852 289 G HN 0.313 nan 8.290 nan 0.000 0.511 290 I N 2.521 123.196 120.570 0.175 0.000 2.466 290 I HA 0.307 4.476 4.170 -0.001 0.000 0.279 290 I C 0.976 177.148 176.117 0.091 0.000 1.033 290 I CA -0.655 60.693 61.300 0.079 0.000 1.123 290 I CB 0.574 38.599 38.000 0.042 0.000 1.237 290 I HN 0.562 nan 8.210 nan 0.000 0.460 291 G N 5.131 113.966 108.800 0.058 0.000 2.508 291 G HA2 0.345 4.305 3.960 -0.001 0.000 0.278 291 G HA3 0.345 4.305 3.960 -0.001 0.000 0.278 291 G C 0.808 175.769 174.900 0.102 0.000 1.389 291 G CA -0.398 44.762 45.100 0.100 0.000 1.050 291 G HN 0.382 nan 8.290 nan 0.000 0.522 292 M N 0.137 119.821 119.600 0.139 0.000 2.492 292 M HA 0.069 4.548 4.480 -0.001 0.000 0.262 292 M C 1.030 177.422 176.300 0.154 0.000 1.090 292 M CA 0.202 55.587 55.300 0.141 0.000 1.110 292 M CB -0.887 31.805 32.600 0.152 0.000 1.407 292 M HN 0.407 nan 8.290 nan 0.000 0.470 293 N N 1.169 119.959 118.700 0.149 0.000 2.739 293 N HA -0.023 4.717 4.740 -0.001 0.000 0.266 293 N C 0.649 176.223 175.510 0.107 0.000 1.168 293 N CA -0.115 53.047 53.050 0.187 0.000 1.055 293 N CB -0.166 38.433 38.487 0.187 0.000 1.393 293 N HN 0.075 nan 8.380 nan 0.000 0.514 294 F N 3.133 123.044 119.950 -0.065 0.000 2.032 294 F HA -0.323 4.203 4.527 -0.001 0.000 0.297 294 F C 1.245 176.815 175.800 -0.383 0.000 1.125 294 F CA 1.939 59.775 58.000 -0.274 0.000 1.202 294 F CB -0.343 38.370 39.000 -0.479 0.000 0.958 294 F HN 0.359 nan 8.300 nan 0.000 0.491 295 F N -0.443 119.493 119.950 -0.023 0.000 2.171 295 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 295 F C 2.407 177.955 175.800 -0.420 0.000 1.090 295 F CA 1.725 59.532 58.000 -0.322 0.000 1.293 295 F CB -0.966 37.865 39.000 -0.281 0.000 1.013 295 F HN 0.107 nan 8.300 nan 0.000 0.486 296 M N 0.091 119.630 119.600 -0.101 0.000 2.175 296 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 296 M C 2.042 178.194 176.300 -0.247 0.000 1.063 296 M CA 1.646 56.844 55.300 -0.170 0.000 1.119 296 M CB -0.345 32.202 32.600 -0.088 0.000 1.377 296 M HN -0.081 nan 8.290 nan 0.000 0.415 297 E N -0.531 119.505 120.200 -0.273 0.000 2.047 297 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 297 E C 2.198 178.560 176.600 -0.396 0.000 0.987 297 E CA 1.542 57.752 56.400 -0.317 0.000 0.799 297 E CB -0.843 28.697 29.700 -0.266 0.000 0.752 297 E HN 0.408 nan 8.360 nan 0.000 0.449 298 V N 1.963 121.561 119.914 -0.527 0.000 2.287 298 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 298 V C 2.517 178.404 176.094 -0.345 0.000 1.053 298 V CA 2.005 64.016 62.300 -0.480 0.000 1.027 298 V CB -0.996 30.432 31.823 -0.658 0.000 0.646 298 V HN 0.260 nan 8.190 nan 0.000 0.447 299 A N -0.295 122.331 122.820 -0.324 0.000 1.908 299 A HA -0.304 4.016 4.320 -0.001 0.000 0.218 299 A C 2.344 179.752 177.584 -0.294 0.000 1.181 299 A CA 2.349 54.225 52.037 -0.268 0.000 0.627 299 A CB -0.552 18.293 19.000 -0.258 0.000 0.818 299 A HN 0.559 nan 8.150 nan 0.000 0.445 300 K N -0.830 119.365 120.400 -0.342 0.000 2.032 300 K HA -0.173 4.147 4.320 -0.001 0.000 0.209 300 K C 1.773 178.054 176.600 -0.532 0.000 1.048 300 K CA 1.664 57.688 56.287 -0.438 0.000 0.927 300 K CB -0.309 31.900 32.500 -0.485 0.000 0.712 300 K HN 0.295 nan 8.250 nan 0.000 0.441 301 L N 1.295 122.229 121.223 -0.483 0.000 2.083 301 L HA -0.138 4.202 4.340 -0.001 0.000 0.209 301 L C 2.399 179.121 176.870 -0.248 0.000 1.083 301 L CA 1.623 56.234 54.840 -0.381 0.000 0.752 301 L CB -0.479 41.447 42.059 -0.221 0.000 0.899 301 L HN 0.168 nan 8.230 nan 0.000 0.433 302 R N -0.964 119.391 120.500 -0.242 0.000 2.066 302 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 302 R C 2.298 178.421 176.300 -0.295 0.000 1.131 302 R CA 1.248 57.209 56.100 -0.232 0.000 0.955 302 R CB -0.666 29.501 30.300 -0.221 0.000 0.851 302 R HN 0.350 nan 8.270 nan 0.000 0.432 303 A N 1.536 124.165 122.820 -0.318 0.000 1.898 303 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 303 A C 2.420 179.867 177.584 -0.229 0.000 1.181 303 A CA 1.514 53.361 52.037 -0.318 0.000 0.620 303 A CB -0.665 18.171 19.000 -0.274 0.000 0.819 303 A HN 0.379 nan 8.150 nan 0.000 0.442 304 A N 0.069 122.745 122.820 -0.240 0.000 1.892 304 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 304 A C 2.239 179.804 177.584 -0.031 0.000 1.188 304 A CA 1.736 53.691 52.037 -0.137 0.000 0.631 304 A CB -0.583 18.262 19.000 -0.258 0.000 0.822 304 A HN 0.555 nan 8.150 nan 0.000 0.447 305 R N -1.050 119.417 120.500 -0.054 0.000 2.096 305 R HA -0.184 4.155 4.340 -0.001 0.000 0.240 305 R C 2.322 178.653 176.300 0.050 0.000 1.139 305 R CA 2.019 58.128 56.100 0.014 0.000 0.952 305 R CB -0.494 29.802 30.300 -0.007 0.000 0.854 305 R HN 0.612 nan 8.270 nan 0.000 0.436 306 M N 0.398 119.956 119.600 -0.069 0.000 2.175 306 M HA -0.136 4.344 4.480 -0.001 0.000 0.264 306 M C 2.291 178.573 176.300 -0.030 0.000 1.063 306 M CA 1.519 56.764 55.300 -0.092 0.000 1.119 306 M CB -0.306 32.134 32.600 -0.268 0.000 1.377 306 M HN 0.144 nan 8.290 nan 0.000 0.415 307 L N -1.079 120.151 121.223 0.012 0.000 2.056 307 L HA -0.218 4.122 4.340 -0.001 0.000 0.207 307 L C 2.482 179.522 176.870 0.284 0.000 1.078 307 L CA 1.377 56.296 54.840 0.131 0.000 0.749 307 L CB -0.807 41.382 42.059 0.217 0.000 0.901 307 L HN 0.587 nan 8.230 nan 0.000 0.433 308 W N 1.265 122.605 121.300 0.068 0.000 2.355 308 W HA -0.270 4.390 4.660 -0.001 0.000 0.309 308 W C 2.495 179.095 176.519 0.134 0.000 1.206 308 W CA 1.464 58.866 57.345 0.095 0.000 1.284 308 W CB 0.069 29.504 29.460 -0.043 0.000 1.145 308 W HN 0.186 nan 8.180 nan 0.000 0.502 309 A N 0.703 123.594 122.820 0.119 0.000 1.883 309 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 309 A C 1.987 179.571 177.584 0.001 0.000 1.186 309 A CA 2.213 54.278 52.037 0.046 0.000 0.624 309 A CB -1.132 17.964 19.000 0.159 0.000 0.822 309 A HN 0.365 nan 8.150 nan 0.000 0.444 310 K N -0.423 119.985 120.400 0.014 0.000 2.009 310 K HA -0.147 4.172 4.320 -0.001 0.000 0.210 310 K C 1.975 178.643 176.600 0.114 0.000 1.049 310 K CA 1.730 58.033 56.287 0.027 0.000 0.929 310 K CB -0.386 32.046 32.500 -0.113 0.000 0.714 310 K HN 0.469 nan 8.250 nan 0.000 0.440 311 L N 0.489 121.807 121.223 0.159 0.000 1.989 311 L HA -0.222 4.118 4.340 -0.001 0.000 0.211 311 L C 2.408 179.303 176.870 0.041 0.000 1.071 311 L CA 1.160 56.103 54.840 0.170 0.000 0.749 311 L CB -0.438 41.779 42.059 0.264 0.000 0.890 311 L HN 0.073 nan 8.230 nan 0.000 0.431 312 V N -1.172 118.607 119.914 -0.225 0.000 2.515 312 V HA -0.292 3.828 4.120 -0.001 0.000 0.250 312 V C 2.414 178.574 176.094 0.110 0.000 1.058 312 V CA 1.687 63.898 62.300 -0.148 0.000 1.064 312 V CB -0.845 30.662 31.823 -0.526 0.000 0.675 312 V HN 0.465 nan 8.190 nan 0.000 0.461 313 H N 0.773 119.826 119.070 -0.029 0.000 2.390 313 H HA -0.202 4.353 4.556 -0.001 0.000 0.298 313 H C 2.350 177.674 175.328 -0.008 0.000 1.106 313 H CA 2.070 58.115 56.048 -0.005 0.000 1.297 313 H CB -0.190 29.560 29.762 -0.019 0.000 1.375 313 H HN 0.491 nan 8.280 nan 0.000 0.509 314 Q N -1.114 118.627 119.800 -0.098 0.000 2.152 314 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 314 Q C 1.538 177.335 176.000 -0.339 0.000 0.985 314 Q CA 1.722 57.365 55.803 -0.267 0.000 0.863 314 Q CB -0.177 28.354 28.738 -0.346 0.000 0.904 314 Q HN 0.500 nan 8.270 nan 0.000 0.422 315 F N -0.684 119.225 119.950 -0.068 0.000 2.802 315 F HA 0.165 4.691 4.527 -0.000 0.000 0.300 315 F C 1.344 177.113 175.800 -0.053 0.000 1.168 315 F CA 0.588 58.560 58.000 -0.048 0.000 1.433 315 F CB 0.039 39.015 39.000 -0.040 0.000 1.115 315 F HN 0.059 nan 8.300 nan 0.000 0.582 316 G N 1.696 110.527 108.800 0.051 0.000 2.353 316 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.294 316 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.294 316 G C -2.330 172.608 174.900 0.064 0.000 1.077 316 G CA -0.722 44.387 45.100 0.015 0.000 1.098 316 G HN 0.175 nan 8.290 nan 0.000 0.511 317 P HA 0.277 nan 4.420 nan 0.000 0.271 317 P C 0.604 177.949 177.300 0.074 0.000 1.216 317 P CA -0.216 62.926 63.100 0.069 0.000 0.776 317 P CB 1.157 32.896 31.700 0.065 0.000 0.881 318 K N 0.645 121.078 120.400 0.056 0.000 2.308 318 K HA 0.082 4.402 4.320 -0.001 0.000 0.197 318 K C 0.614 177.247 176.600 0.055 0.000 1.049 318 K CA 0.462 56.781 56.287 0.054 0.000 0.991 318 K CB -0.166 32.361 32.500 0.044 0.000 0.836 318 K HN 0.378 nan 8.250 nan 0.000 0.500 319 N N 2.445 121.177 118.700 0.053 0.000 2.419 319 N HA 0.095 4.835 4.740 -0.001 0.000 0.264 319 N C -1.929 173.630 175.510 0.082 0.000 1.031 319 N CA -1.975 51.111 53.050 0.060 0.000 0.951 319 N CB 1.592 40.107 38.487 0.047 0.000 1.101 319 N HN -0.171 nan 8.380 nan 0.000 0.488 320 P HA -0.101 nan 4.420 nan 0.000 0.220 320 P C 0.630 178.088 177.300 0.263 0.000 1.148 320 P CA 1.191 64.394 63.100 0.173 0.000 0.803 320 P CB 0.503 32.297 31.700 0.157 0.000 0.782 321 K N -0.176 120.330 120.400 0.177 0.000 2.209 321 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 321 K C 2.247 178.882 176.600 0.060 0.000 1.048 321 K CA 1.108 57.462 56.287 0.112 0.000 0.940 321 K CB -0.315 32.242 32.500 0.095 0.000 0.729 321 K HN 0.087 nan 8.250 nan 0.000 0.451 322 S N 1.156 116.884 115.700 0.047 0.000 2.382 322 S HA -0.091 4.378 4.470 -0.001 0.000 0.228 322 S C 1.729 176.326 174.600 -0.005 0.000 1.027 322 S CA 1.236 59.431 58.200 -0.008 0.000 0.991 322 S CB -0.055 63.115 63.200 -0.051 0.000 0.823 322 S HN 0.294 nan 8.310 nan 0.000 0.469 323 M N 1.767 121.390 119.600 0.040 0.000 2.619 323 M HA 0.050 4.529 4.480 -0.001 0.000 0.251 323 M C 0.632 176.977 176.300 0.074 0.000 1.106 323 M CA 0.063 55.381 55.300 0.030 0.000 1.086 323 M CB -0.204 32.503 32.600 0.179 0.000 1.465 323 M HN 0.207 nan 8.290 nan 0.000 0.506 324 S N 1.163 116.776 115.700 -0.144 0.000 2.505 324 S HA 0.346 4.816 4.470 -0.001 0.000 0.276 324 S C -0.431 174.147 174.600 -0.037 0.000 1.274 324 S CA -0.778 57.062 58.200 -0.600 0.000 1.053 324 S CB 0.961 63.648 63.200 -0.854 0.000 0.919 324 S HN 0.404 nan 8.310 nan 0.000 0.490 325 L N 4.477 125.675 121.223 -0.042 0.000 2.268 325 L HA 0.453 4.792 4.340 -0.001 0.000 0.289 325 L C -0.147 176.655 176.870 -0.114 0.000 1.064 325 L CA -0.601 54.206 54.840 -0.056 0.000 0.824 325 L CB 0.314 42.246 42.059 -0.211 0.000 1.202 325 L HN 0.760 nan 8.230 nan 0.000 0.433 326 R N 3.381 123.870 120.500 -0.018 0.000 2.265 326 R HA 0.397 4.737 4.340 -0.001 0.000 0.328 326 R C -0.580 175.759 176.300 0.065 0.000 0.969 326 R CA -0.389 55.708 56.100 -0.006 0.000 0.832 326 R CB 1.751 32.072 30.300 0.035 0.000 1.139 326 R HN 0.443 nan 8.270 nan 0.000 0.457 327 T N 1.172 115.772 114.554 0.078 0.000 2.893 327 T HA 0.221 4.571 4.350 -0.001 0.000 0.291 327 T C -1.282 173.511 174.700 0.154 0.000 1.028 327 T CA -0.683 61.478 62.100 0.102 0.000 0.995 327 T CB 0.907 69.838 68.868 0.104 0.000 1.051 327 T HN 0.599 nan 8.240 nan 0.000 0.470 328 H N 1.411 120.507 119.070 0.044 0.000 2.482 328 H HA 0.763 5.318 4.556 -0.001 0.000 0.344 328 H C -0.633 174.810 175.328 0.192 0.000 1.151 328 H CA -0.004 56.058 56.048 0.024 0.000 1.300 328 H CB 1.063 30.698 29.762 -0.211 0.000 1.494 328 H HN 0.489 nan 8.280 nan 0.000 0.542 329 S N 2.196 117.589 115.700 -0.511 0.000 2.549 329 S HA 0.310 4.779 4.470 -0.001 0.000 0.280 329 S C -1.449 173.009 174.600 -0.237 0.000 1.109 329 S CA -0.850 57.296 58.200 -0.090 0.000 0.905 329 S CB 1.910 65.110 63.200 -0.001 0.000 1.081 329 S HN 0.706 nan 8.310 nan 0.000 0.477 330 Q N 1.448 121.323 119.800 0.126 0.000 2.331 330 Q HA 0.513 4.852 4.340 -0.001 0.000 0.272 330 Q C -0.597 175.533 176.000 0.218 0.000 1.062 330 Q CA -0.732 55.130 55.803 0.098 0.000 0.806 330 Q CB 1.506 30.184 28.738 -0.101 0.000 1.312 330 Q HN 0.770 nan 8.270 nan 0.000 0.431 331 T N 0.516 115.194 114.554 0.207 0.000 2.932 331 T HA 0.093 4.443 4.350 -0.001 0.000 0.312 331 T C 0.452 175.356 174.700 0.340 0.000 1.071 331 T CA -0.391 61.839 62.100 0.215 0.000 1.128 331 T CB 1.188 70.144 68.868 0.147 0.000 0.984 331 T HN 0.499 nan 8.240 nan 0.000 0.549 332 S N 1.822 117.693 115.700 0.286 0.000 2.466 332 S HA 0.314 4.784 4.470 -0.001 0.000 0.286 332 S C 1.685 176.460 174.600 0.291 0.000 1.221 332 S CA -0.280 58.101 58.200 0.301 0.000 1.091 332 S CB -0.413 62.928 63.200 0.234 0.000 0.956 332 S HN 0.946 nan 8.310 nan 0.000 0.501 333 G N 4.673 113.684 108.800 0.352 0.000 2.421 333 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 333 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 333 G C 1.040 176.069 174.900 0.215 0.000 1.171 333 G CA 0.738 46.015 45.100 0.294 0.000 0.775 333 G HN 0.897 nan 8.290 nan 0.000 0.543 334 W N 2.523 123.862 121.300 0.065 0.000 2.325 334 W HA -0.246 4.413 4.660 -0.001 0.000 0.299 334 W C 2.961 179.503 176.519 0.039 0.000 1.215 334 W CA 2.824 60.190 57.345 0.034 0.000 1.244 334 W CB -0.257 29.199 29.460 -0.007 0.000 1.140 334 W HN 0.292 nan 8.180 nan 0.000 0.523 335 S N 0.226 115.913 115.700 -0.021 0.000 2.419 335 S HA -0.132 4.337 4.470 -0.001 0.000 0.233 335 S C 0.902 175.390 174.600 -0.187 0.000 1.016 335 S CA 0.872 58.969 58.200 -0.171 0.000 0.974 335 S CB -0.907 62.355 63.200 0.104 0.000 0.786 335 S HN 0.201 nan 8.310 nan 0.000 0.492 336 L N 2.538 123.699 121.223 -0.103 0.000 2.371 336 L HA 0.402 4.741 4.340 -0.001 0.000 0.272 336 L C 0.765 177.556 176.870 -0.132 0.000 1.124 336 L CA -0.490 54.303 54.840 -0.077 0.000 0.816 336 L CB 0.965 43.020 42.059 -0.006 0.000 1.129 336 L HN 0.285 nan 8.230 nan 0.000 0.448 337 T N -1.449 113.044 114.554 -0.102 0.000 2.952 337 T HA 0.579 4.928 4.350 -0.001 0.000 0.286 337 T C 0.585 175.251 174.700 -0.055 0.000 1.024 337 T CA -0.246 61.796 62.100 -0.098 0.000 1.029 337 T CB 2.002 70.822 68.868 -0.080 0.000 1.094 337 T HN 0.602 nan 8.240 nan 0.000 0.515 338 A N 0.228 123.023 122.820 -0.041 0.000 2.195 338 A HA 0.313 4.633 4.320 -0.001 0.000 0.210 338 A C 0.715 178.299 177.584 0.001 0.000 1.165 338 A CA 0.092 52.120 52.037 -0.016 0.000 0.806 338 A CB -0.292 18.707 19.000 -0.000 0.000 0.847 338 A HN 0.742 nan 8.150 nan 0.000 0.482 339 Q N -0.002 119.800 119.800 0.003 0.000 2.282 339 Q HA 0.454 4.794 4.340 -0.001 0.000 0.260 339 Q C -0.786 175.232 176.000 0.029 0.000 0.964 339 Q CA -0.409 55.407 55.803 0.023 0.000 0.880 339 Q CB 1.203 29.954 28.738 0.022 0.000 1.286 339 Q HN 0.268 nan 8.270 nan 0.000 0.445 340 D N 0.941 121.373 120.400 0.054 0.000 3.003 340 D HA -0.150 4.490 4.640 -0.001 0.000 0.223 340 D C 0.463 176.805 176.300 0.071 0.000 1.204 340 D CA 0.801 54.849 54.000 0.081 0.000 0.828 340 D CB -0.317 40.530 40.800 0.079 0.000 0.918 340 D HN 0.464 nan 8.370 nan 0.000 0.401 341 V N 0.103 120.047 119.914 0.051 0.000 2.809 341 V HA -0.130 3.990 4.120 -0.001 0.000 0.256 341 V C 1.847 177.865 176.094 -0.126 0.000 1.080 341 V CA 1.125 63.389 62.300 -0.060 0.000 1.102 341 V CB -0.822 30.916 31.823 -0.143 0.000 0.705 341 V HN 0.420 nan 8.190 nan 0.000 0.475 342 Y N 1.552 121.878 120.300 0.043 0.000 2.578 342 Y HA 0.190 4.740 4.550 -0.001 0.000 0.297 342 Y C 2.276 178.193 175.900 0.028 0.000 1.176 342 Y CA 0.613 58.739 58.100 0.042 0.000 1.315 342 Y CB -0.620 37.871 38.460 0.053 0.000 1.031 342 Y HN 0.319 nan 8.280 nan 0.000 0.524 343 N N 0.181 118.956 118.700 0.126 0.000 2.309 343 N HA -0.149 4.590 4.740 -0.001 0.000 0.182 343 N C 1.230 176.766 175.510 0.043 0.000 1.018 343 N CA 0.778 53.874 53.050 0.076 0.000 0.876 343 N CB -0.290 38.234 38.487 0.062 0.000 0.972 343 N HN 0.401 nan 8.380 nan 0.000 0.434 344 N N 0.904 119.612 118.700 0.013 0.000 2.149 344 N HA -0.086 4.653 4.740 -0.001 0.000 0.188 344 N C 1.838 177.351 175.510 0.005 0.000 1.019 344 N CA 0.518 53.565 53.050 -0.004 0.000 0.857 344 N CB -0.453 38.011 38.487 -0.038 0.000 0.997 344 N HN 0.059 nan 8.380 nan 0.000 0.426 345 V N 0.849 120.768 119.914 0.008 0.000 2.287 345 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 345 V C 2.453 178.565 176.094 0.031 0.000 1.053 345 V CA 1.282 63.593 62.300 0.018 0.000 1.027 345 V CB -0.613 31.239 31.823 0.048 0.000 0.646 345 V HN 0.069 nan 8.190 nan 0.000 0.447 346 V N 0.077 120.016 119.914 0.041 0.000 2.295 346 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 346 V C 2.588 178.710 176.094 0.047 0.000 1.049 346 V CA 2.228 64.553 62.300 0.041 0.000 1.024 346 V CB -0.862 30.986 31.823 0.042 0.000 0.648 346 V HN 0.483 nan 8.190 nan 0.000 0.447 347 R N -0.017 120.510 120.500 0.045 0.000 2.083 347 R HA -0.164 4.175 4.340 -0.001 0.000 0.237 347 R C 2.386 178.725 176.300 0.064 0.000 1.137 347 R CA 2.049 58.181 56.100 0.052 0.000 0.951 347 R CB -0.958 29.366 30.300 0.040 0.000 0.851 347 R HN 0.479 nan 8.270 nan 0.000 0.434 348 T N 0.344 114.932 114.554 0.056 0.000 2.821 348 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 348 T C 2.005 176.747 174.700 0.070 0.000 1.046 348 T CA 1.216 63.353 62.100 0.062 0.000 1.139 348 T CB -0.385 68.509 68.868 0.044 0.000 0.871 348 T HN 0.415 nan 8.240 nan 0.000 0.454 349 C N 1.551 120.894 119.300 0.072 0.000 2.429 349 C HA -0.042 4.418 4.460 -0.001 0.000 0.277 349 C C 2.486 177.546 174.990 0.116 0.000 1.262 349 C CA 0.261 59.339 59.018 0.100 0.000 1.733 349 C CB -1.398 26.396 27.740 0.090 0.000 2.010 349 C HN 0.437 nan 8.230 nan 0.000 0.483 350 I N 0.985 121.618 120.570 0.104 0.000 2.315 350 I HA -0.105 4.065 4.170 -0.001 0.000 0.248 350 I C 2.442 178.671 176.117 0.186 0.000 1.117 350 I CA 1.540 62.919 61.300 0.131 0.000 1.404 350 I CB -1.731 36.320 38.000 0.086 0.000 1.071 350 I HN 0.529 nan 8.210 nan 0.000 0.419 351 E N 1.261 121.537 120.200 0.126 0.000 2.072 351 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 351 E C 2.376 179.003 176.600 0.046 0.000 0.985 351 E CA 1.286 57.741 56.400 0.091 0.000 0.801 351 E CB -0.138 29.617 29.700 0.091 0.000 0.750 351 E HN 0.473 nan 8.360 nan 0.000 0.452 352 A N 1.075 123.921 122.820 0.043 0.000 1.933 352 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 352 A C 2.155 179.710 177.584 -0.048 0.000 1.175 352 A CA 1.385 53.410 52.037 -0.019 0.000 0.628 352 A CB -0.462 18.552 19.000 0.024 0.000 0.814 352 A HN 0.139 nan 8.150 nan 0.000 0.444 353 M N -0.539 119.110 119.600 0.081 0.000 2.080 353 M HA -0.192 4.288 4.480 -0.001 0.000 0.260 353 M C 2.554 178.941 176.300 0.145 0.000 1.068 353 M CA 1.678 57.088 55.300 0.183 0.000 1.109 353 M CB -0.414 32.386 32.600 0.333 0.000 1.342 353 M HN 0.481 nan 8.290 nan 0.000 0.405 354 A N 0.179 122.997 122.820 -0.002 0.000 1.877 354 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 354 A C 2.345 179.747 177.584 -0.303 0.000 1.186 354 A CA 2.027 53.754 52.037 -0.517 0.000 0.620 354 A CB -1.092 17.557 19.000 -0.584 0.000 0.822 354 A HN 0.521 nan 8.150 nan 0.000 0.443 355 A N -0.259 122.453 122.820 -0.181 0.000 1.883 355 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 355 A C 2.459 179.958 177.584 -0.141 0.000 1.186 355 A CA 2.758 54.706 52.037 -0.149 0.000 0.624 355 A CB -1.474 17.440 19.000 -0.142 0.000 0.822 355 A HN 0.800 nan 8.150 nan 0.000 0.444 356 T N -2.481 111.934 114.554 -0.231 0.000 2.951 356 T HA -0.097 4.253 4.350 -0.001 0.000 0.268 356 T C 1.699 176.526 174.700 0.212 0.000 1.073 356 T CA 1.422 63.433 62.100 -0.148 0.000 1.134 356 T CB -0.305 68.137 68.868 -0.710 0.000 0.884 356 T HN 0.599 nan 8.240 nan 0.000 0.479 357 Q N 0.617 120.484 119.800 0.112 0.000 2.432 357 Q HA 0.234 4.574 4.340 -0.001 0.000 0.205 357 Q C 2.344 178.336 176.000 -0.014 0.000 0.945 357 Q CA 0.583 56.479 55.803 0.155 0.000 0.924 357 Q CB -0.041 28.927 28.738 0.382 0.000 1.016 357 Q HN 0.695 nan 8.270 nan 0.000 0.503 358 G N -1.009 107.737 108.800 -0.090 0.000 2.985 358 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.209 358 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.209 358 G C -0.294 174.621 174.900 0.025 0.000 1.165 358 G CA -0.178 44.853 45.100 -0.116 0.000 0.776 358 G HN 0.537 nan 8.290 nan 0.000 0.541 359 H N -0.209 118.834 119.070 -0.045 0.000 2.889 359 H HA -0.155 4.401 4.556 -0.000 0.000 0.324 359 H C 0.455 175.819 175.328 0.059 0.000 1.274 359 H CA 0.134 56.139 56.048 -0.072 0.000 1.176 359 H CB -1.532 28.120 29.762 -0.184 0.000 1.479 359 H HN 0.326 nan 8.280 nan 0.000 0.438 360 T N -0.232 114.456 114.554 0.223 0.000 2.900 360 T HA 0.056 4.406 4.350 -0.001 0.000 0.307 360 T C 1.362 176.244 174.700 0.303 0.000 1.065 360 T CA 0.050 62.264 62.100 0.191 0.000 1.105 360 T CB 1.138 70.053 68.868 0.079 0.000 0.979 360 T HN 0.396 nan 8.240 nan 0.000 0.544 361 Q N 1.276 121.233 119.800 0.261 0.000 2.339 361 Q HA 0.248 4.587 4.340 -0.001 0.000 0.205 361 Q C 0.466 176.674 176.000 0.346 0.000 0.925 361 Q CA 0.329 56.330 55.803 0.330 0.000 0.898 361 Q CB 0.480 29.375 28.738 0.261 0.000 1.013 361 Q HN 0.736 nan 8.270 nan 0.000 0.504 362 S N -1.121 114.760 115.700 0.302 0.000 2.570 362 S HA 0.736 5.206 4.470 -0.001 0.000 0.270 362 S C -1.497 173.227 174.600 0.207 0.000 1.149 362 S CA -1.035 57.376 58.200 0.352 0.000 0.837 362 S CB 1.689 65.104 63.200 0.359 0.000 1.124 362 S HN 0.050 nan 8.310 nan 0.000 0.465 363 L N 1.264 122.639 121.223 0.254 0.000 2.472 363 L HA 0.688 5.028 4.340 -0.001 0.000 0.260 363 L C -1.460 175.513 176.870 0.172 0.000 0.963 363 L CA -0.231 54.622 54.840 0.021 0.000 0.829 363 L CB 2.078 44.120 42.059 -0.029 0.000 1.348 363 L HN 1.107 nan 8.230 nan 0.000 0.408 364 H N 1.300 120.362 119.070 -0.013 0.000 2.469 364 H HA 0.801 5.356 4.556 -0.001 0.000 0.342 364 H C -1.045 174.330 175.328 0.078 0.000 1.115 364 H CA 0.099 56.209 56.048 0.102 0.000 1.204 364 H CB 1.523 31.369 29.762 0.141 0.000 1.492 364 H HN 0.710 nan 8.280 nan 0.000 0.499 365 T N 3.085 117.366 114.554 -0.456 0.000 2.815 365 T HA 0.359 4.708 4.350 -0.001 0.000 0.289 365 T C -0.060 174.433 174.700 -0.344 0.000 1.000 365 T CA -1.255 60.696 62.100 -0.247 0.000 0.958 365 T CB 0.633 69.446 68.868 -0.092 0.000 0.944 365 T HN 0.545 nan 8.240 nan 0.000 0.442 366 N N 2.021 120.700 118.700 -0.035 0.000 2.326 366 N HA 0.267 5.007 4.740 -0.001 0.000 0.239 366 N C 0.064 175.600 175.510 0.043 0.000 1.301 366 N CA -0.198 52.922 53.050 0.117 0.000 0.909 366 N CB 0.560 39.175 38.487 0.213 0.000 1.156 366 N HN 0.619 nan 8.380 nan 0.000 0.462 367 S N 0.085 115.829 115.700 0.074 0.000 2.638 367 S HA 0.254 4.724 4.470 -0.001 0.000 0.298 367 S C 1.594 176.188 174.600 -0.011 0.000 1.111 367 S CA -0.760 57.449 58.200 0.014 0.000 1.027 367 S CB 1.177 64.398 63.200 0.036 0.000 1.064 367 S HN 0.534 nan 8.310 nan 0.000 0.525 368 L N 0.470 121.647 121.223 -0.076 0.000 2.187 368 L HA -0.054 4.285 4.340 -0.001 0.000 0.213 368 L C 0.954 177.759 176.870 -0.108 0.000 1.100 368 L CA 1.633 56.395 54.840 -0.130 0.000 0.765 368 L CB -1.005 40.884 42.059 -0.284 0.000 0.904 368 L HN 0.565 nan 8.230 nan 0.000 0.437 369 D N -1.068 119.294 120.400 -0.064 0.000 2.370 369 D HA -0.034 4.606 4.640 -0.001 0.000 0.230 369 D C 1.643 177.943 176.300 0.001 0.000 1.143 369 D CA 0.317 54.295 54.000 -0.036 0.000 0.834 369 D CB -0.053 40.731 40.800 -0.027 0.000 0.944 369 D HN 0.544 nan 8.370 nan 0.000 0.504 370 E N 1.433 121.647 120.200 0.024 0.000 2.130 370 E HA -0.217 4.132 4.350 -0.001 0.000 0.196 370 E C 1.699 178.330 176.600 0.052 0.000 0.998 370 E CA 1.747 58.187 56.400 0.066 0.000 0.806 370 E CB -0.402 29.350 29.700 0.087 0.000 0.738 370 E HN 0.319 nan 8.360 nan 0.000 0.459 371 A N -0.890 121.940 122.820 0.017 0.000 2.275 371 A HA 0.235 4.554 4.320 -0.001 0.000 0.212 371 A C 1.835 179.422 177.584 0.005 0.000 1.201 371 A CA 0.356 52.397 52.037 0.006 0.000 0.843 371 A CB -0.089 18.898 19.000 -0.022 0.000 0.873 371 A HN 0.329 nan 8.150 nan 0.000 0.492 372 I N -1.959 118.614 120.570 0.006 0.000 3.443 372 I HA 0.446 4.615 4.170 -0.001 0.000 0.277 372 I C 0.930 177.053 176.117 0.011 0.000 1.169 372 I CA 0.857 62.158 61.300 0.002 0.000 1.419 372 I CB 0.461 38.452 38.000 -0.015 0.000 1.331 372 I HN 0.249 nan 8.210 nan 0.000 0.458 373 A N 0.052 122.880 122.820 0.013 0.000 2.540 373 A HA 0.563 4.883 4.320 -0.001 0.000 0.291 373 A C -1.266 176.323 177.584 0.007 0.000 1.083 373 A CA -0.708 51.336 52.037 0.012 0.000 0.650 373 A CB 0.386 19.378 19.000 -0.013 0.000 1.292 373 A HN 0.026 nan 8.150 nan 0.000 0.435 374 L N 1.354 122.568 121.223 -0.015 0.000 2.506 374 L HA 0.241 4.580 4.340 -0.001 0.000 0.281 374 L C -1.893 174.919 176.870 -0.097 0.000 1.228 374 L CA -1.223 53.591 54.840 -0.044 0.000 0.850 374 L CB -0.095 41.905 42.059 -0.099 0.000 1.110 374 L HN 0.444 nan 8.230 nan 0.000 0.496 375 P HA 0.042 nan 4.420 nan 0.000 0.268 375 P C -0.196 177.017 177.300 -0.146 0.000 1.205 375 P CA -0.266 62.815 63.100 -0.032 0.000 0.771 375 P CB 0.440 32.197 31.700 0.095 0.000 0.858 376 T N -1.281 113.232 114.554 -0.068 0.000 2.814 376 T HA 0.180 4.530 4.350 -0.001 0.000 0.284 376 T C 0.913 175.640 174.700 0.044 0.000 0.998 376 T CA -0.312 61.745 62.100 -0.071 0.000 0.935 376 T CB 0.386 69.269 68.868 0.025 0.000 1.167 376 T HN 0.222 nan 8.240 nan 0.000 0.545 377 D N -0.608 119.854 120.400 0.104 0.000 2.123 377 D HA -0.002 4.638 4.640 -0.001 0.000 0.200 377 D C 1.578 178.001 176.300 0.205 0.000 0.976 377 D CA 0.845 54.977 54.000 0.221 0.000 0.831 377 D CB -0.322 40.599 40.800 0.202 0.000 0.974 377 D HN 0.513 nan 8.370 nan 0.000 0.469 378 F N 2.132 122.122 119.950 0.066 0.000 2.075 378 F HA -0.228 4.299 4.527 -0.001 0.000 0.297 378 F C 2.565 178.403 175.800 0.062 0.000 1.113 378 F CA 1.975 60.013 58.000 0.062 0.000 1.218 378 F CB -0.501 38.532 39.000 0.056 0.000 0.984 378 F HN -0.062 nan 8.300 nan 0.000 0.472 379 S N 0.759 116.446 115.700 -0.022 0.000 2.368 379 S HA -0.170 4.299 4.470 -0.001 0.000 0.225 379 S C 2.262 176.809 174.600 -0.089 0.000 1.030 379 S CA 1.147 59.269 58.200 -0.129 0.000 0.999 379 S CB -1.197 62.002 63.200 -0.001 0.000 0.844 379 S HN 0.486 nan 8.310 nan 0.000 0.459 380 A N 2.014 124.855 122.820 0.035 0.000 1.972 380 A HA 0.004 4.324 4.320 -0.001 0.000 0.219 380 A C 2.325 179.911 177.584 0.003 0.000 1.169 380 A CA 1.443 53.530 52.037 0.084 0.000 0.635 380 A CB -0.755 18.416 19.000 0.286 0.000 0.810 380 A HN 0.688 nan 8.150 nan 0.000 0.446 381 R N -0.246 120.233 120.500 -0.035 0.000 2.115 381 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 381 R C 1.775 178.010 176.300 -0.109 0.000 1.100 381 R CA 1.333 57.399 56.100 -0.057 0.000 0.980 381 R CB -0.346 29.938 30.300 -0.027 0.000 0.875 381 R HN 0.518 nan 8.270 nan 0.000 0.445 382 I N 0.989 121.433 120.570 -0.210 0.000 2.202 382 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 382 I C 2.603 178.663 176.117 -0.094 0.000 1.091 382 I CA 1.278 62.466 61.300 -0.186 0.000 1.368 382 I CB -0.446 37.389 38.000 -0.275 0.000 1.058 382 I HN 0.288 nan 8.210 nan 0.000 0.410 383 A N 0.781 123.550 122.820 -0.085 0.000 1.917 383 A HA -0.287 4.032 4.320 -0.001 0.000 0.219 383 A C 2.447 180.012 177.584 -0.031 0.000 1.182 383 A CA 2.159 54.164 52.037 -0.053 0.000 0.633 383 A CB -0.715 18.250 19.000 -0.058 0.000 0.819 383 A HN 0.402 nan 8.150 nan 0.000 0.448 384 R N -0.350 120.134 120.500 -0.026 0.000 2.119 384 R HA -0.041 4.298 4.340 -0.001 0.000 0.222 384 R C 1.752 178.068 176.300 0.026 0.000 1.088 384 R CA 1.420 57.518 56.100 -0.005 0.000 0.984 384 R CB -0.371 29.916 30.300 -0.021 0.000 0.884 384 R HN 0.721 nan 8.270 nan 0.000 0.447 385 N N -0.791 117.921 118.700 0.019 0.000 2.331 385 N HA -0.091 4.649 4.740 -0.001 0.000 0.180 385 N C 1.134 176.711 175.510 0.113 0.000 1.019 385 N CA 1.391 54.471 53.050 0.050 0.000 0.881 385 N CB 0.095 38.590 38.487 0.014 0.000 0.972 385 N HN 0.179 nan 8.380 nan 0.000 0.435 386 T N 1.305 115.918 114.554 0.099 0.000 2.635 386 T HA -0.199 4.151 4.350 -0.001 0.000 0.267 386 T C 1.780 176.635 174.700 0.259 0.000 1.040 386 T CA 1.255 63.456 62.100 0.168 0.000 1.156 386 T CB -0.245 68.683 68.868 0.100 0.000 0.863 386 T HN 0.333 nan 8.240 nan 0.000 0.430 387 Q N 0.323 120.255 119.800 0.221 0.000 2.119 387 Q HA 0.068 4.408 4.340 -0.001 0.000 0.201 387 Q C 2.495 178.641 176.000 0.243 0.000 0.972 387 Q CA 0.911 56.910 55.803 0.327 0.000 0.847 387 Q CB -0.363 28.569 28.738 0.323 0.000 0.903 387 Q HN 0.473 nan 8.270 nan 0.000 0.433 388 L N -0.169 121.135 121.223 0.136 0.000 2.056 388 L HA -0.163 4.177 4.340 -0.001 0.000 0.207 388 L C 2.336 179.269 176.870 0.105 0.000 1.078 388 L CA 0.922 55.797 54.840 0.058 0.000 0.749 388 L CB -0.426 41.656 42.059 0.038 0.000 0.901 388 L HN 0.173 nan 8.230 nan 0.000 0.433 389 F N 0.842 120.820 119.950 0.048 0.000 2.095 389 F HA -0.243 4.284 4.527 -0.001 0.000 0.298 389 F C 2.127 177.986 175.800 0.098 0.000 1.104 389 F CA 1.624 59.659 58.000 0.058 0.000 1.232 389 F CB -0.273 38.761 39.000 0.056 0.000 0.987 389 F HN -0.120 nan 8.300 nan 0.000 0.475 390 L N -0.107 121.111 121.223 -0.008 0.000 2.056 390 L HA -0.223 4.116 4.340 -0.001 0.000 0.207 390 L C 2.545 179.470 176.870 0.092 0.000 1.078 390 L CA 1.456 56.300 54.840 0.006 0.000 0.749 390 L CB -0.972 41.242 42.059 0.259 0.000 0.901 390 L HN 0.234 nan 8.230 nan 0.000 0.433 391 Q N -0.311 119.521 119.800 0.054 0.000 2.084 391 Q HA -0.240 4.099 4.340 -0.001 0.000 0.202 391 Q C 2.221 178.144 176.000 -0.128 0.000 0.978 391 Q CA 1.595 57.303 55.803 -0.159 0.000 0.844 391 Q CB -0.061 28.435 28.738 -0.403 0.000 0.898 391 Q HN 0.589 nan 8.270 nan 0.000 0.426 392 Q N -0.308 119.419 119.800 -0.122 0.000 2.226 392 Q HA -0.017 4.323 4.340 -0.001 0.000 0.199 392 Q C 1.378 177.313 176.000 -0.108 0.000 0.945 392 Q CA 0.699 56.445 55.803 -0.096 0.000 0.861 392 Q CB 0.499 29.209 28.738 -0.046 0.000 0.953 392 Q HN 0.288 nan 8.270 nan 0.000 0.490 393 E N -0.401 119.670 120.200 -0.215 0.000 2.413 393 E HA -0.013 4.337 4.350 -0.001 0.000 0.203 393 E C 1.881 178.309 176.600 -0.286 0.000 0.957 393 E CA 0.608 56.875 56.400 -0.222 0.000 0.950 393 E CB 0.487 30.076 29.700 -0.185 0.000 0.957 393 E HN 0.208 nan 8.360 nan 0.000 0.497 394 S N -0.075 115.373 115.700 -0.419 0.000 2.383 394 S HA -0.056 4.414 4.470 -0.001 0.000 0.227 394 S C 1.842 176.387 174.600 -0.091 0.000 1.026 394 S CA 1.149 59.181 58.200 -0.279 0.000 0.981 394 S CB -0.204 62.844 63.200 -0.252 0.000 0.818 394 S HN 0.337 nan 8.310 nan 0.000 0.472 395 G N 0.602 109.371 108.800 -0.051 0.000 2.159 395 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.256 395 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.256 395 G C 0.771 175.696 174.900 0.041 0.000 0.977 395 G CA 1.008 46.106 45.100 -0.003 0.000 0.652 395 G HN 1.311 nan 8.290 nan 0.000 0.531 396 T N -2.029 112.574 114.554 0.082 0.000 3.129 396 T HA 0.245 4.595 4.350 -0.001 0.000 0.251 396 T C 2.108 176.975 174.700 0.278 0.000 1.117 396 T CA 1.770 63.961 62.100 0.152 0.000 1.034 396 T CB -0.062 68.910 68.868 0.173 0.000 0.968 396 T HN 0.943 nan 8.240 nan 0.000 0.526 397 T N 0.238 114.951 114.554 0.265 0.000 3.037 397 T HA 0.088 4.437 4.350 -0.001 0.000 0.252 397 T C 2.009 176.868 174.700 0.265 0.000 1.073 397 T CA -0.041 62.281 62.100 0.370 0.000 1.091 397 T CB -0.259 68.754 68.868 0.242 0.000 0.935 397 T HN 0.579 nan 8.240 nan 0.000 0.488 398 R N 1.309 121.903 120.500 0.157 0.000 2.120 398 R HA 0.085 4.425 4.340 -0.001 0.000 0.234 398 R C 0.214 176.581 176.300 0.112 0.000 1.123 398 R CA 0.671 56.839 56.100 0.114 0.000 0.975 398 R CB -0.746 29.593 30.300 0.066 0.000 0.866 398 R HN 0.317 nan 8.270 nan 0.000 0.446 399 V N 2.215 122.196 119.914 0.111 0.000 2.513 399 V HA 0.297 4.417 4.120 -0.001 0.000 0.299 399 V C 0.031 176.196 176.094 0.120 0.000 1.035 399 V CA -0.988 61.357 62.300 0.075 0.000 0.889 399 V CB 1.980 33.809 31.823 0.011 0.000 0.988 399 V HN 0.123 nan 8.190 nan 0.000 0.440 400 I N 4.181 124.813 120.570 0.103 0.000 2.421 400 I HA 0.179 4.348 4.170 -0.001 0.000 0.291 400 I C 0.376 176.524 176.117 0.051 0.000 1.089 400 I CA 0.328 61.725 61.300 0.161 0.000 1.354 400 I CB -0.157 37.907 38.000 0.107 0.000 1.413 400 I HN 0.775 nan 8.210 nan 0.000 0.513 401 D N 7.536 127.933 120.400 -0.006 0.000 3.357 401 D HA -0.126 4.513 4.640 -0.001 0.000 0.238 401 D C -1.516 174.725 176.300 -0.098 0.000 1.126 401 D CA -0.029 53.843 54.000 -0.213 0.000 0.984 401 D CB 0.298 41.124 40.800 0.043 0.000 0.925 401 D HN 0.332 nan 8.370 nan 0.000 0.414 402 P HA -0.162 nan 4.420 nan 0.000 0.215 402 P C 1.539 178.670 177.300 -0.282 0.000 1.153 402 P CA 1.366 64.331 63.100 -0.226 0.000 0.853 402 P CB -0.259 31.253 31.700 -0.313 0.000 0.788 403 W N 0.541 121.858 121.300 0.028 0.000 2.525 403 W HA 0.081 4.740 4.660 -0.001 0.000 0.259 403 W C 1.262 177.823 176.519 0.069 0.000 1.253 403 W CA 0.213 57.603 57.345 0.075 0.000 1.262 403 W CB -1.101 28.419 29.460 0.099 0.000 1.122 403 W HN -0.126 nan 8.180 nan 0.000 0.607 404 S N 0.630 116.457 115.700 0.212 0.000 2.931 404 S HA 0.187 4.656 4.470 -0.001 0.000 0.342 404 S C 1.342 176.018 174.600 0.126 0.000 1.220 404 S CA 1.414 59.727 58.200 0.189 0.000 1.045 404 S CB -0.182 63.090 63.200 0.120 0.000 0.758 404 S HN 0.750 nan 8.310 nan 0.000 0.508 405 G N 3.076 111.954 108.800 0.130 0.000 2.317 405 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.227 405 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.227 405 G C 0.434 175.465 174.900 0.218 0.000 1.042 405 G CA 0.450 45.587 45.100 0.063 0.000 0.623 405 G HN 1.883 nan 8.290 nan 0.000 0.509 406 S N 1.467 117.329 115.700 0.271 0.000 2.702 406 S HA 0.401 4.870 4.470 -0.001 0.000 0.314 406 S C 1.886 176.649 174.600 0.273 0.000 1.244 406 S CA 0.891 59.276 58.200 0.309 0.000 1.058 406 S CB 0.916 64.378 63.200 0.437 0.000 0.783 406 S HN 1.868 nan 8.310 nan 0.000 0.503 407 A N 5.788 128.756 122.820 0.247 0.000 1.877 407 A HA -0.040 4.280 4.320 -0.001 0.000 0.216 407 A C 1.897 179.523 177.584 0.071 0.000 1.186 407 A CA 1.641 53.772 52.037 0.156 0.000 0.620 407 A CB -1.234 17.805 19.000 0.063 0.000 0.822 407 A HN 1.079 nan 8.150 nan 0.000 0.443 408 Y N 0.955 121.148 120.300 -0.180 0.000 2.097 408 Y HA -0.204 4.345 4.550 -0.001 0.000 0.282 408 Y C 2.480 178.147 175.900 -0.388 0.000 1.152 408 Y CA 1.714 59.446 58.100 -0.614 0.000 1.136 408 Y CB -0.794 37.376 38.460 -0.482 0.000 0.975 408 Y HN 0.071 nan 8.280 nan 0.000 0.498 409 V N 0.562 120.338 119.914 -0.229 0.000 2.343 409 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 409 V C 2.417 178.475 176.094 -0.060 0.000 1.051 409 V CA 2.141 64.306 62.300 -0.225 0.000 1.036 409 V CB -0.571 31.222 31.823 -0.050 0.000 0.654 409 V HN 0.305 nan 8.190 nan 0.000 0.451 410 E N 0.043 120.302 120.200 0.097 0.000 2.077 410 E HA -0.247 4.103 4.350 -0.001 0.000 0.193 410 E C 2.190 178.925 176.600 0.226 0.000 0.989 410 E CA 1.487 58.034 56.400 0.244 0.000 0.800 410 E CB -0.242 29.633 29.700 0.292 0.000 0.746 410 E HN 0.685 nan 8.360 nan 0.000 0.452 411 E N 1.068 121.313 120.200 0.075 0.000 2.051 411 E HA -0.120 4.230 4.350 -0.001 0.000 0.192 411 E C 2.194 178.836 176.600 0.069 0.000 0.991 411 E CA 0.867 57.327 56.400 0.100 0.000 0.799 411 E CB -0.343 29.322 29.700 -0.058 0.000 0.748 411 E HN 0.195 nan 8.360 nan 0.000 0.449 412 L N -0.034 121.120 121.223 -0.115 0.000 2.083 412 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 412 L C 2.471 179.298 176.870 -0.071 0.000 1.083 412 L CA 1.616 56.371 54.840 -0.141 0.000 0.752 412 L CB -0.748 41.126 42.059 -0.309 0.000 0.899 412 L HN 0.211 nan 8.230 nan 0.000 0.433 413 T N -1.106 113.437 114.554 -0.019 0.000 2.652 413 T HA -0.279 4.071 4.350 -0.001 0.000 0.267 413 T C 1.484 176.230 174.700 0.077 0.000 1.039 413 T CA 1.633 63.713 62.100 -0.033 0.000 1.153 413 T CB -0.400 68.453 68.868 -0.024 0.000 0.863 413 T HN 0.519 nan 8.240 nan 0.000 0.428 414 W N 1.826 123.171 121.300 0.076 0.000 2.355 414 W HA -0.192 4.468 4.660 -0.001 0.000 0.309 414 W C 1.749 178.286 176.519 0.031 0.000 1.206 414 W CA 0.897 58.343 57.345 0.168 0.000 1.284 414 W CB -0.018 29.621 29.460 0.298 0.000 1.145 414 W HN 0.257 nan 8.180 nan 0.000 0.502 415 D N 0.681 121.108 120.400 0.045 0.000 2.097 415 D HA -0.189 4.450 4.640 -0.001 0.000 0.195 415 D C 2.234 178.438 176.300 -0.161 0.000 0.989 415 D CA 1.668 55.589 54.000 -0.133 0.000 0.827 415 D CB -0.846 39.914 40.800 -0.067 0.000 0.966 415 D HN 0.252 nan 8.370 nan 0.000 0.456 416 L N 0.637 121.782 121.223 -0.130 0.000 2.056 416 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 416 L C 2.558 179.341 176.870 -0.146 0.000 1.078 416 L CA 0.997 55.745 54.840 -0.154 0.000 0.749 416 L CB -0.431 41.521 42.059 -0.177 0.000 0.901 416 L HN -0.036 nan 8.230 nan 0.000 0.433 417 A N 0.399 123.141 122.820 -0.130 0.000 1.883 417 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 417 A C 2.398 179.922 177.584 -0.101 0.000 1.186 417 A CA 1.803 53.776 52.037 -0.106 0.000 0.624 417 A CB -0.514 18.424 19.000 -0.103 0.000 0.822 417 A HN 0.322 nan 8.150 nan 0.000 0.444 418 R N -0.619 119.741 120.500 -0.233 0.000 2.066 418 R HA -0.067 4.272 4.340 -0.001 0.000 0.232 418 R C 2.366 178.563 176.300 -0.172 0.000 1.131 418 R CA 1.521 57.469 56.100 -0.253 0.000 0.955 418 R CB -0.282 29.707 30.300 -0.518 0.000 0.851 418 R HN 0.455 nan 8.270 nan 0.000 0.432 419 K N 0.245 120.505 120.400 -0.233 0.000 2.057 419 K HA -0.101 4.218 4.320 -0.001 0.000 0.207 419 K C 2.097 178.407 176.600 -0.484 0.000 1.049 419 K CA 1.446 57.535 56.287 -0.330 0.000 0.931 419 K CB -0.090 32.249 32.500 -0.268 0.000 0.714 419 K HN 0.158 nan 8.250 nan 0.000 0.440 420 A N 0.769 123.449 122.820 -0.233 0.000 1.968 420 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 420 A C 1.869 179.467 177.584 0.024 0.000 1.169 420 A CA 0.702 52.684 52.037 -0.091 0.000 0.638 420 A CB -0.784 18.217 19.000 0.001 0.000 0.812 420 A HN 0.594 nan 8.150 nan 0.000 0.446 421 W N 0.847 122.067 121.300 -0.134 0.000 2.358 421 W HA -0.148 4.512 4.660 -0.000 0.000 0.303 421 W C 2.026 178.499 176.519 -0.076 0.000 1.208 421 W CA 1.452 58.755 57.345 -0.071 0.000 1.274 421 W CB -0.336 29.079 29.460 -0.075 0.000 1.138 421 W HN 0.390 nan 8.180 nan 0.000 0.515 422 G N -0.229 108.512 108.800 -0.098 0.000 2.440 422 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 422 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 422 G C 1.178 175.997 174.900 -0.135 0.000 1.154 422 G CA 1.268 46.269 45.100 -0.165 0.000 0.767 422 G HN 0.299 nan 8.290 nan 0.000 0.552 423 H N 0.419 119.438 119.070 -0.085 0.000 2.387 423 H HA 0.041 4.597 4.556 -0.000 0.000 0.299 423 H C 2.666 177.951 175.328 -0.072 0.000 1.090 423 H CA 0.863 56.873 56.048 -0.063 0.000 1.332 423 H CB -0.396 29.330 29.762 -0.061 0.000 1.386 423 H HN 0.362 nan 8.280 nan 0.000 0.516 424 I N 0.824 121.376 120.570 -0.029 0.000 2.226 424 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 424 I C 2.590 178.548 176.117 -0.264 0.000 1.100 424 I CA 1.118 62.337 61.300 -0.135 0.000 1.374 424 I CB -0.236 37.630 38.000 -0.223 0.000 1.057 424 I HN 0.208 nan 8.210 nan 0.000 0.413 425 Q N 0.428 119.974 119.800 -0.422 0.000 2.061 425 Q HA -0.281 4.058 4.340 -0.001 0.000 0.204 425 Q C 2.501 178.405 176.000 -0.161 0.000 0.984 425 Q CA 2.460 58.054 55.803 -0.349 0.000 0.846 425 Q CB -0.361 28.156 28.738 -0.369 0.000 0.902 425 Q HN 0.683 nan 8.270 nan 0.000 0.421 426 E N 0.362 120.506 120.200 -0.093 0.000 2.031 426 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 426 E C 2.051 178.635 176.600 -0.026 0.000 0.994 426 E CA 1.526 57.905 56.400 -0.035 0.000 0.800 426 E CB -1.105 28.602 29.700 0.012 0.000 0.752 426 E HN 0.209 nan 8.360 nan 0.000 0.447 427 V N 1.170 121.079 119.914 -0.009 0.000 2.282 427 V HA -0.278 3.842 4.120 -0.001 0.000 0.249 427 V C 2.651 178.725 176.094 -0.032 0.000 1.057 427 V CA 2.401 64.698 62.300 -0.006 0.000 1.032 427 V CB -0.526 31.320 31.823 0.038 0.000 0.645 427 V HN 0.680 nan 8.190 nan 0.000 0.447 428 E N -0.683 119.485 120.200 -0.053 0.000 2.204 428 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 428 E C 2.489 179.061 176.600 -0.048 0.000 0.989 428 E CA 1.360 57.728 56.400 -0.054 0.000 0.824 428 E CB -0.126 29.521 29.700 -0.088 0.000 0.756 428 E HN 0.661 nan 8.360 nan 0.000 0.477 429 K N -0.767 119.603 120.400 -0.051 0.000 2.155 429 K HA 0.101 4.421 4.320 -0.001 0.000 0.203 429 K C 1.879 178.460 176.600 -0.032 0.000 1.052 429 K CA 0.921 57.184 56.287 -0.040 0.000 0.948 429 K CB -0.408 32.068 32.500 -0.039 0.000 0.728 429 K HN 0.329 nan 8.250 nan 0.000 0.448 430 V N -0.469 119.426 119.914 -0.032 0.000 3.633 430 V HA 0.280 4.400 4.120 -0.001 0.000 0.283 430 V C 1.189 177.261 176.094 -0.036 0.000 1.305 430 V CA 1.096 63.377 62.300 -0.032 0.000 1.153 430 V CB -0.009 31.794 31.823 -0.032 0.000 0.950 430 V HN 0.673 nan 8.190 nan 0.000 0.432 431 G N -0.958 107.822 108.800 -0.033 0.000 2.201 431 G HA2 0.099 4.059 3.960 -0.001 0.000 0.212 431 G HA3 0.099 4.059 3.960 -0.001 0.000 0.212 431 G C 0.953 175.833 174.900 -0.033 0.000 0.994 431 G CA -0.007 45.074 45.100 -0.032 0.000 0.644 431 G HN 1.845 nan 8.290 nan 0.000 0.508 432 G N -1.591 107.188 108.800 -0.036 0.000 2.434 432 G HA2 0.260 4.220 3.960 -0.001 0.000 0.671 432 G HA3 0.260 4.220 3.960 -0.001 0.000 0.671 432 G C 0.505 175.366 174.900 -0.066 0.000 1.280 432 G CA 0.302 45.382 45.100 -0.035 0.000 0.975 432 G HN 0.693 nan 8.290 nan 0.000 0.510 433 M N 0.337 119.891 119.600 -0.077 0.000 2.254 433 M HA 0.080 4.559 4.480 -0.001 0.000 0.265 433 M C 2.924 179.136 176.300 -0.147 0.000 1.066 433 M CA 2.385 57.609 55.300 -0.126 0.000 1.123 433 M CB -1.695 30.829 32.600 -0.126 0.000 1.388 433 M HN 1.144 nan 8.290 nan 0.000 0.425 434 A N 0.101 122.838 122.820 -0.139 0.000 1.898 434 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 434 A C 2.289 179.779 177.584 -0.158 0.000 1.181 434 A CA 1.608 53.550 52.037 -0.158 0.000 0.620 434 A CB -0.435 18.474 19.000 -0.151 0.000 0.819 434 A HN 0.433 nan 8.150 nan 0.000 0.442 435 K N -0.225 120.102 120.400 -0.123 0.000 2.057 435 K HA 0.016 4.335 4.320 -0.001 0.000 0.206 435 K C 2.235 178.770 176.600 -0.107 0.000 1.050 435 K CA 1.111 57.334 56.287 -0.107 0.000 0.935 435 K CB -0.283 32.170 32.500 -0.079 0.000 0.715 435 K HN 0.428 nan 8.250 nan 0.000 0.439 436 A N 1.009 123.760 122.820 -0.115 0.000 1.930 436 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 436 A C 2.086 179.581 177.584 -0.150 0.000 1.175 436 A CA 1.176 53.137 52.037 -0.126 0.000 0.627 436 A CB -0.500 18.415 19.000 -0.143 0.000 0.815 436 A HN 0.170 nan 8.150 nan 0.000 0.443 437 I N 0.345 120.814 120.570 -0.170 0.000 2.315 437 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 437 I C 2.446 178.483 176.117 -0.134 0.000 1.117 437 I CA 1.645 62.852 61.300 -0.154 0.000 1.404 437 I CB -0.333 37.581 38.000 -0.143 0.000 1.071 437 I HN 0.557 nan 8.210 nan 0.000 0.419 438 E N 1.492 121.601 120.200 -0.152 0.000 2.150 438 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 438 E C 1.848 178.400 176.600 -0.080 0.000 0.985 438 E CA 1.218 57.540 56.400 -0.130 0.000 0.814 438 E CB -0.453 29.159 29.700 -0.148 0.000 0.752 438 E HN 0.302 nan 8.360 nan 0.000 0.466 439 K N -0.173 120.182 120.400 -0.074 0.000 2.147 439 K HA 0.042 4.361 4.320 -0.001 0.000 0.205 439 K C 1.413 177.986 176.600 -0.045 0.000 1.049 439 K CA 1.210 57.464 56.287 -0.054 0.000 0.936 439 K CB -0.285 32.183 32.500 -0.053 0.000 0.722 439 K HN 0.400 nan 8.250 nan 0.000 0.446 440 G N -0.265 108.505 108.800 -0.051 0.000 2.176 440 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.232 440 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.232 440 G C 0.770 175.650 174.900 -0.034 0.000 0.986 440 G CA 0.149 45.228 45.100 -0.034 0.000 0.643 440 G HN 0.070 nan 8.290 nan 0.000 0.522 441 I N 1.391 121.933 120.570 -0.047 0.000 2.113 441 I HA -0.072 4.098 4.170 -0.001 0.000 0.238 441 I C 0.559 176.664 176.117 -0.019 0.000 1.070 441 I CA 1.988 63.270 61.300 -0.031 0.000 1.332 441 I CB -2.242 35.739 38.000 -0.032 0.000 1.044 441 I HN 0.091 nan 8.210 nan 0.000 0.402 442 P HA -0.227 nan 4.420 nan 0.000 0.215 442 P C 1.844 179.168 177.300 0.040 0.000 1.163 442 P CA 1.870 64.900 63.100 -0.116 0.000 0.894 442 P CB -0.130 31.244 31.700 -0.542 0.000 0.791 443 K N -0.876 119.524 120.400 -0.000 0.000 2.063 443 K HA -0.123 4.196 4.320 -0.001 0.000 0.208 443 K C 2.141 178.756 176.600 0.024 0.000 1.048 443 K CA 1.681 57.983 56.287 0.025 0.000 0.928 443 K CB -0.466 32.047 32.500 0.022 0.000 0.713 443 K HN 0.025 nan 8.250 nan 0.000 0.442 444 M N -0.086 119.523 119.600 0.015 0.000 2.175 444 M HA -0.146 4.334 4.480 -0.001 0.000 0.264 444 M C 2.290 178.597 176.300 0.012 0.000 1.063 444 M CA 1.383 56.689 55.300 0.010 0.000 1.119 444 M CB -0.145 32.457 32.600 0.004 0.000 1.377 444 M HN 0.074 nan 8.290 nan 0.000 0.415 445 R N 1.291 121.808 120.500 0.028 0.000 2.083 445 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 445 R C 1.652 177.951 176.300 -0.002 0.000 1.137 445 R CA 1.877 57.988 56.100 0.018 0.000 0.951 445 R CB -0.779 29.556 30.300 0.059 0.000 0.851 445 R HN 0.360 nan 8.270 nan 0.000 0.434 446 I N 0.314 120.898 120.570 0.023 0.000 2.226 446 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 446 I C 2.083 178.177 176.117 -0.038 0.000 1.100 446 I CA 1.699 62.991 61.300 -0.014 0.000 1.374 446 I CB -0.333 37.683 38.000 0.027 0.000 1.057 446 I HN 0.349 nan 8.210 nan 0.000 0.413 447 E N 0.563 120.753 120.200 -0.018 0.000 2.106 447 E HA -0.221 4.129 4.350 -0.001 0.000 0.192 447 E C 2.041 178.632 176.600 -0.016 0.000 0.984 447 E CA 0.995 57.383 56.400 -0.020 0.000 0.806 447 E CB -0.011 29.684 29.700 -0.008 0.000 0.750 447 E HN 0.503 nan 8.360 nan 0.000 0.458 448 E N 0.690 120.883 120.200 -0.012 0.000 2.038 448 E HA -0.231 4.118 4.350 -0.001 0.000 0.195 448 E C 2.131 178.719 176.600 -0.020 0.000 1.000 448 E CA 1.085 57.480 56.400 -0.008 0.000 0.803 448 E CB -0.172 29.520 29.700 -0.012 0.000 0.750 448 E HN 0.234 nan 8.360 nan 0.000 0.448 449 A N 1.423 124.214 122.820 -0.047 0.000 1.908 449 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 449 A C 2.390 179.924 177.584 -0.082 0.000 1.181 449 A CA 1.853 53.846 52.037 -0.072 0.000 0.627 449 A CB -0.705 18.232 19.000 -0.105 0.000 0.818 449 A HN 0.310 nan 8.150 nan 0.000 0.445 450 A N -0.326 122.439 122.820 -0.091 0.000 1.933 450 A HA 0.187 4.506 4.320 -0.001 0.000 0.218 450 A C 2.483 180.072 177.584 0.009 0.000 1.175 450 A CA 2.023 54.005 52.037 -0.092 0.000 0.628 450 A CB -0.910 18.029 19.000 -0.101 0.000 0.814 450 A HN 1.022 nan 8.150 nan 0.000 0.444 451 A N -0.351 122.495 122.820 0.043 0.000 1.873 451 A HA -0.112 4.208 4.320 -0.001 0.000 0.215 451 A C 2.233 179.891 177.584 0.123 0.000 1.186 451 A CA 1.405 53.525 52.037 0.139 0.000 0.616 451 A CB -0.471 18.608 19.000 0.131 0.000 0.823 451 A HN 0.513 nan 8.150 nan 0.000 0.442 452 R N -0.862 119.661 120.500 0.038 0.000 2.094 452 R HA -0.128 4.212 4.340 -0.001 0.000 0.239 452 R C 2.342 178.647 176.300 0.008 0.000 1.137 452 R CA 2.075 58.173 56.100 -0.003 0.000 0.943 452 R CB -0.825 29.463 30.300 -0.019 0.000 0.850 452 R HN 0.549 nan 8.270 nan 0.000 0.433 453 T N 0.520 115.090 114.554 0.026 0.000 2.684 453 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 453 T C 1.726 176.514 174.700 0.146 0.000 1.036 453 T CA 1.527 63.672 62.100 0.076 0.000 1.148 453 T CB -0.218 68.667 68.868 0.028 0.000 0.863 453 T HN 0.199 nan 8.240 nan 0.000 0.436 454 Q N 1.132 121.039 119.800 0.179 0.000 2.061 454 Q HA -0.010 4.330 4.340 -0.001 0.000 0.204 454 Q C 2.364 178.487 176.000 0.205 0.000 0.984 454 Q CA 1.855 57.810 55.803 0.253 0.000 0.846 454 Q CB -0.764 28.166 28.738 0.320 0.000 0.902 454 Q HN 0.521 nan 8.270 nan 0.000 0.421 455 A N 0.541 123.359 122.820 -0.003 0.000 1.873 455 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 455 A C 2.072 179.578 177.584 -0.130 0.000 1.193 455 A CA 1.910 53.727 52.037 -0.368 0.000 0.629 455 A CB -0.618 18.022 19.000 -0.600 0.000 0.826 455 A HN 0.447 nan 8.150 nan 0.000 0.447 456 R N -0.528 119.946 120.500 -0.044 0.000 2.083 456 R HA -0.120 4.220 4.340 -0.001 0.000 0.237 456 R C 2.034 178.356 176.300 0.036 0.000 1.137 456 R CA 1.817 57.921 56.100 0.006 0.000 0.951 456 R CB -0.577 29.748 30.300 0.043 0.000 0.851 456 R HN 0.611 nan 8.270 nan 0.000 0.434 457 I N 0.648 121.263 120.570 0.075 0.000 2.286 457 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 457 I C 1.572 177.724 176.117 0.058 0.000 1.104 457 I CA 1.062 62.406 61.300 0.074 0.000 1.397 457 I CB -0.325 37.739 38.000 0.107 0.000 1.072 457 I HN 0.064 nan 8.210 nan 0.000 0.417 458 D N 0.748 121.197 120.400 0.083 0.000 2.117 458 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 458 D C 2.413 178.743 176.300 0.050 0.000 0.987 458 D CA 1.916 55.971 54.000 0.092 0.000 0.829 458 D CB -0.198 40.715 40.800 0.189 0.000 0.961 458 D HN 0.331 nan 8.370 nan 0.000 0.460 459 S N -1.023 114.687 115.700 0.016 0.000 2.428 459 S HA 0.092 4.562 4.470 -0.001 0.000 0.230 459 S C 1.826 176.425 174.600 -0.003 0.000 1.014 459 S CA 1.394 59.592 58.200 -0.002 0.000 0.957 459 S CB 0.248 63.428 63.200 -0.032 0.000 0.784 459 S HN 0.357 nan 8.310 nan 0.000 0.499 460 G N 1.075 109.874 108.800 -0.001 0.000 2.184 460 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.206 460 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.206 460 G C 0.954 175.848 174.900 -0.009 0.000 0.995 460 G CA 0.207 45.299 45.100 -0.013 0.000 0.651 460 G HN 0.447 nan 8.290 nan 0.000 0.511 461 R N 0.033 120.535 120.500 0.002 0.000 2.070 461 R HA -0.018 4.322 4.340 -0.001 0.000 0.233 461 R C 1.500 177.819 176.300 0.032 0.000 1.137 461 R CA 1.391 57.499 56.100 0.015 0.000 0.945 461 R CB -0.100 30.210 30.300 0.017 0.000 0.845 461 R HN 0.528 nan 8.270 nan 0.000 0.430 462 Q N 2.030 121.857 119.800 0.046 0.000 2.349 462 Q HA 0.213 4.553 4.340 -0.001 0.000 0.254 462 Q C -2.407 173.616 176.000 0.039 0.000 0.980 462 Q CA -2.410 53.434 55.803 0.069 0.000 0.924 462 Q CB 1.398 30.201 28.738 0.108 0.000 1.209 462 Q HN -0.075 nan 8.270 nan 0.000 0.445 463 P HA 0.026 nan 4.420 nan 0.000 0.269 463 P C -1.205 176.089 177.300 -0.011 0.000 1.209 463 P CA -0.254 62.834 63.100 -0.020 0.000 0.776 463 P CB 0.563 32.242 31.700 -0.036 0.000 0.876 464 L N 4.353 125.554 121.223 -0.038 0.000 2.563 464 L HA 0.292 4.632 4.340 -0.001 0.000 0.259 464 L C -0.928 175.915 176.870 -0.045 0.000 1.034 464 L CA -0.656 54.159 54.840 -0.043 0.000 0.899 464 L CB 0.317 42.339 42.059 -0.061 0.000 1.159 464 L HN 0.134 nan 8.230 nan 0.000 0.456 465 I N 4.521 125.079 120.570 -0.020 0.000 2.828 465 I HA 0.241 4.411 4.170 -0.001 0.000 0.292 465 I C 1.600 177.731 176.117 0.022 0.000 1.206 465 I CA 1.386 62.695 61.300 0.015 0.000 1.420 465 I CB -0.459 37.585 38.000 0.074 0.000 1.368 465 I HN 0.886 nan 8.210 nan 0.000 0.556 466 G N 4.320 113.141 108.800 0.035 0.000 2.195 466 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.246 466 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.246 466 G C 0.602 175.510 174.900 0.013 0.000 0.984 466 G CA 0.285 45.410 45.100 0.041 0.000 0.633 466 G HN 0.450 nan 8.290 nan 0.000 0.525 467 V N 0.869 120.776 119.914 -0.013 0.000 2.870 467 V HA 0.165 4.285 4.120 -0.001 0.000 0.232 467 V C 1.900 177.980 176.094 -0.022 0.000 1.161 467 V CA 1.822 64.112 62.300 -0.018 0.000 1.204 467 V CB -0.017 31.784 31.823 -0.036 0.000 1.003 467 V HN 0.541 nan 8.190 nan 0.000 0.499 468 N N 0.079 118.754 118.700 -0.042 0.000 2.205 468 N HA 0.143 4.883 4.740 -0.001 0.000 0.201 468 N C -0.053 175.398 175.510 -0.099 0.000 1.128 468 N CA 0.031 53.052 53.050 -0.049 0.000 0.867 468 N CB 0.529 38.995 38.487 -0.036 0.000 0.996 468 N HN 0.510 nan 8.380 nan 0.000 0.503 469 K N -0.138 120.175 120.400 -0.146 0.000 2.550 469 K HA 0.195 4.515 4.320 -0.001 0.000 0.252 469 K C -1.210 175.231 176.600 -0.266 0.000 0.943 469 K CA -0.635 55.456 56.287 -0.327 0.000 0.806 469 K CB 0.759 32.980 32.500 -0.463 0.000 1.289 469 K HN -0.047 nan 8.250 nan 0.000 0.435 470 Y N 0.376 120.678 120.300 0.004 0.000 3.001 470 Y HA -0.289 4.260 4.550 -0.001 0.000 0.199 470 Y C 0.128 176.030 175.900 0.003 0.000 1.320 470 Y CA 0.293 58.395 58.100 0.003 0.000 0.974 470 Y CB -1.678 36.784 38.460 0.004 0.000 1.291 470 Y HN 0.468 nan 8.280 nan 0.000 0.465 471 R N 0.496 121.056 120.500 0.100 0.000 2.694 471 R HA 0.414 4.753 4.340 -0.001 0.000 0.268 471 R C 0.543 176.878 176.300 0.058 0.000 1.061 471 R CA -0.610 55.525 56.100 0.058 0.000 1.133 471 R CB 0.580 30.896 30.300 0.026 0.000 1.020 471 R HN 0.378 nan 8.270 nan 0.000 0.475 472 L N 2.040 123.288 121.223 0.042 0.000 2.421 472 L HA 0.098 4.438 4.340 -0.001 0.000 0.263 472 L C 1.981 178.842 176.870 -0.015 0.000 1.122 472 L CA -0.278 54.579 54.840 0.029 0.000 0.804 472 L CB 0.950 43.035 42.059 0.044 0.000 1.150 472 L HN 0.723 nan 8.230 nan 0.000 0.457 473 E N 0.460 120.636 120.200 -0.040 0.000 1.998 473 E HA -0.103 4.247 4.350 -0.001 0.000 0.196 473 E C -0.011 176.422 176.600 -0.279 0.000 1.003 473 E CA 0.942 57.250 56.400 -0.152 0.000 0.829 473 E CB -0.112 29.516 29.700 -0.121 0.000 0.777 473 E HN 0.448 nan 8.360 nan 0.000 0.460 474 H N 0.684 119.773 119.070 0.032 0.000 2.495 474 H HA 0.287 4.843 4.556 -0.001 0.000 0.348 474 H C -0.432 174.916 175.328 0.033 0.000 1.113 474 H CA -0.655 55.413 56.048 0.032 0.000 1.195 474 H CB 1.463 31.241 29.762 0.026 0.000 1.521 474 H HN 0.143 nan 8.280 nan 0.000 0.509 475 E N 3.895 124.197 120.200 0.170 0.000 2.290 475 E HA 0.166 4.516 4.350 -0.001 0.000 0.277 475 E C -1.859 174.794 176.600 0.089 0.000 1.035 475 E CA -1.690 54.774 56.400 0.107 0.000 0.873 475 E CB 0.577 30.329 29.700 0.086 0.000 1.029 475 E HN 0.401 nan 8.360 nan 0.000 0.419 476 P HA 0.176 nan 4.420 nan 0.000 0.270 476 P C -2.397 174.925 177.300 0.037 0.000 1.223 476 P CA -1.048 62.085 63.100 0.054 0.000 0.785 476 P CB -0.626 31.110 31.700 0.061 0.000 0.923 477 P HA 0.200 nan 4.420 nan 0.000 0.268 477 P C -0.941 176.363 177.300 0.006 0.000 1.205 477 P CA -0.032 63.063 63.100 -0.007 0.000 0.771 477 P CB 0.270 31.957 31.700 -0.021 0.000 0.858 478 L N 3.012 124.229 121.223 -0.010 0.000 2.404 478 L HA 0.363 4.703 4.340 -0.001 0.000 0.272 478 L C -0.879 175.979 176.870 -0.020 0.000 0.980 478 L CA -0.511 54.329 54.840 0.001 0.000 0.836 478 L CB 1.297 43.357 42.059 0.001 0.000 1.238 478 L HN 0.151 nan 8.230 nan 0.000 0.408 479 D N 3.923 124.314 120.400 -0.014 0.000 2.417 479 D HA 0.379 5.019 4.640 -0.001 0.000 0.250 479 D C -0.213 176.072 176.300 -0.024 0.000 1.166 479 D CA 0.490 54.475 54.000 -0.025 0.000 0.881 479 D CB 1.183 41.967 40.800 -0.026 0.000 1.164 479 D HN 0.358 nan 8.370 nan 0.000 0.467 480 V N 0.012 119.902 119.914 -0.040 0.000 3.001 480 V HA 0.470 4.589 4.120 -0.001 0.000 0.314 480 V C -0.228 175.822 176.094 -0.073 0.000 1.099 480 V CA -1.402 60.869 62.300 -0.049 0.000 0.989 480 V CB 1.818 33.614 31.823 -0.044 0.000 1.040 480 V HN 0.282 nan 8.190 nan 0.000 0.434 481 L N 2.370 123.527 121.223 -0.109 0.000 2.462 481 L HA 0.453 4.793 4.340 -0.001 0.000 0.272 481 L C 0.067 176.870 176.870 -0.111 0.000 1.166 481 L CA 0.381 55.122 54.840 -0.166 0.000 0.880 481 L CB 0.147 42.024 42.059 -0.303 0.000 1.142 481 L HN 1.000 nan 8.230 nan 0.000 0.473 482 K N 4.775 125.121 120.400 -0.091 0.000 2.358 482 K HA 0.563 4.882 4.320 -0.001 0.000 0.260 482 K C -1.573 175.004 176.600 -0.039 0.000 0.956 482 K CA -0.774 55.483 56.287 -0.049 0.000 0.834 482 K CB 1.442 33.922 32.500 -0.034 0.000 1.102 482 K HN 0.524 nan 8.250 nan 0.000 0.431 483 V N 3.294 123.198 119.914 -0.017 0.000 2.546 483 V HA 0.085 4.205 4.120 -0.001 0.000 0.284 483 V C -0.095 176.002 176.094 0.005 0.000 1.050 483 V CA -0.530 61.779 62.300 0.016 0.000 0.981 483 V CB 1.321 33.173 31.823 0.047 0.000 0.990 483 V HN 0.804 nan 8.190 nan 0.000 0.474 484 D N 3.953 124.360 120.400 0.011 0.000 2.441 484 D HA 0.063 4.703 4.640 -0.001 0.000 0.221 484 D C 1.128 177.429 176.300 0.002 0.000 1.156 484 D CA 0.107 54.107 54.000 0.000 0.000 0.896 484 D CB 0.364 41.165 40.800 0.001 0.000 1.028 484 D HN 0.617 nan 8.370 nan 0.000 0.509 485 N N 2.401 121.098 118.700 -0.006 0.000 2.149 485 N HA -0.221 4.519 4.740 -0.001 0.000 0.188 485 N C 1.300 176.808 175.510 -0.004 0.000 1.019 485 N CA 1.495 54.543 53.050 -0.004 0.000 0.857 485 N CB 0.298 38.777 38.487 -0.014 0.000 0.997 485 N HN 0.375 nan 8.380 nan 0.000 0.426 486 S N -0.960 114.736 115.700 -0.007 0.000 2.399 486 S HA -0.115 4.355 4.470 -0.001 0.000 0.231 486 S C 2.037 176.635 174.600 -0.003 0.000 1.022 486 S CA 1.700 59.897 58.200 -0.006 0.000 0.983 486 S CB -0.687 62.508 63.200 -0.007 0.000 0.803 486 S HN 0.398 nan 8.310 nan 0.000 0.480 487 T N 0.939 115.492 114.554 -0.003 0.000 3.035 487 T HA 0.105 4.454 4.350 -0.001 0.000 0.259 487 T C 1.674 176.372 174.700 -0.003 0.000 1.078 487 T CA 0.920 63.018 62.100 -0.003 0.000 1.132 487 T CB -0.490 68.376 68.868 -0.003 0.000 0.900 487 T HN 0.272 nan 8.240 nan 0.000 0.480 488 V N 1.859 121.772 119.914 -0.001 0.000 2.270 488 V HA -0.054 4.065 4.120 -0.001 0.000 0.245 488 V C 2.547 178.642 176.094 0.001 0.000 1.043 488 V CA 1.434 63.732 62.300 -0.003 0.000 1.014 488 V CB -0.945 30.879 31.823 0.002 0.000 0.645 488 V HN 0.361 nan 8.190 nan 0.000 0.447 489 L N 0.899 122.123 121.223 0.003 0.000 1.978 489 L HA -0.233 4.107 4.340 -0.001 0.000 0.218 489 L C 2.560 179.432 176.870 0.004 0.000 1.075 489 L CA 2.592 57.434 54.840 0.003 0.000 0.767 489 L CB -1.207 40.852 42.059 0.000 0.000 0.890 489 L HN 0.284 nan 8.230 nan 0.000 0.434 490 A N -1.287 121.534 122.820 0.002 0.000 1.883 490 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 490 A C 2.207 179.795 177.584 0.005 0.000 1.186 490 A CA 2.001 54.040 52.037 0.003 0.000 0.624 490 A CB -0.731 18.270 19.000 0.001 0.000 0.822 490 A HN 0.609 nan 8.150 nan 0.000 0.444 491 E N -0.781 119.420 120.200 0.003 0.000 2.058 491 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 491 E C 2.367 178.976 176.600 0.015 0.000 0.997 491 E CA 1.363 57.765 56.400 0.004 0.000 0.801 491 E CB -0.161 29.535 29.700 -0.006 0.000 0.746 491 E HN 0.577 nan 8.360 nan 0.000 0.450 492 Q N 0.663 120.473 119.800 0.015 0.000 2.084 492 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 492 Q C 2.014 178.031 176.000 0.029 0.000 0.978 492 Q CA 1.099 56.917 55.803 0.026 0.000 0.844 492 Q CB -0.250 28.500 28.738 0.021 0.000 0.898 492 Q HN 0.211 nan 8.270 nan 0.000 0.426 493 K N 0.598 121.010 120.400 0.021 0.000 2.044 493 K HA -0.144 4.176 4.320 -0.001 0.000 0.210 493 K C 2.124 178.740 176.600 0.026 0.000 1.049 493 K CA 1.415 57.713 56.287 0.019 0.000 0.927 493 K CB -0.232 32.275 32.500 0.012 0.000 0.713 493 K HN 0.181 nan 8.250 nan 0.000 0.443 494 A N 1.491 124.327 122.820 0.027 0.000 1.908 494 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 494 A C 1.961 179.581 177.584 0.060 0.000 1.181 494 A CA 1.697 53.754 52.037 0.033 0.000 0.627 494 A CB -0.370 18.643 19.000 0.022 0.000 0.818 494 A HN 0.210 nan 8.150 nan 0.000 0.445 495 K N -0.746 119.704 120.400 0.082 0.000 2.097 495 K HA -0.028 4.292 4.320 -0.001 0.000 0.206 495 K C 1.816 178.518 176.600 0.171 0.000 1.049 495 K CA 1.300 57.688 56.287 0.169 0.000 0.933 495 K CB -0.292 32.321 32.500 0.188 0.000 0.717 495 K HN 0.495 nan 8.250 nan 0.000 0.442 496 L N 0.178 121.443 121.223 0.070 0.000 2.217 496 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 496 L C 2.153 179.031 176.870 0.013 0.000 1.107 496 L CA 0.484 55.330 54.840 0.009 0.000 0.783 496 L CB -0.135 41.923 42.059 -0.001 0.000 0.919 496 L HN -0.008 nan 8.230 nan 0.000 0.442 497 V N 0.128 120.063 119.914 0.035 0.000 2.307 497 V HA -0.300 3.820 4.120 -0.001 0.000 0.245 497 V C 2.549 178.673 176.094 0.051 0.000 1.045 497 V CA 1.922 64.241 62.300 0.031 0.000 1.024 497 V CB -0.442 31.398 31.823 0.028 0.000 0.651 497 V HN 0.448 nan 8.190 nan 0.000 0.449 498 K N -0.005 120.450 120.400 0.093 0.000 2.009 498 K HA -0.245 4.074 4.320 -0.001 0.000 0.210 498 K C 2.225 178.935 176.600 0.184 0.000 1.049 498 K CA 2.073 58.445 56.287 0.142 0.000 0.929 498 K CB -0.364 32.242 32.500 0.176 0.000 0.714 498 K HN 0.325 nan 8.250 nan 0.000 0.440 499 L N 1.488 122.811 121.223 0.165 0.000 2.013 499 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 499 L C 2.492 179.320 176.870 -0.071 0.000 1.073 499 L CA 1.752 56.523 54.840 -0.115 0.000 0.753 499 L CB -0.254 41.526 42.059 -0.464 0.000 0.890 499 L HN 0.175 nan 8.230 nan 0.000 0.432 500 R N -1.049 119.426 120.500 -0.042 0.000 2.092 500 R HA -0.083 4.256 4.340 -0.001 0.000 0.231 500 R C 2.242 178.539 176.300 -0.005 0.000 1.119 500 R CA 1.098 57.180 56.100 -0.029 0.000 0.970 500 R CB -0.465 29.823 30.300 -0.022 0.000 0.864 500 R HN 0.553 nan 8.270 nan 0.000 0.440 501 A N 1.031 123.859 122.820 0.015 0.000 1.898 501 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 501 A C 2.209 179.810 177.584 0.028 0.000 1.181 501 A CA 1.940 53.990 52.037 0.022 0.000 0.620 501 A CB -0.640 18.378 19.000 0.030 0.000 0.819 501 A HN 0.486 nan 8.150 nan 0.000 0.442 502 E N 0.536 120.766 120.200 0.050 0.000 2.371 502 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 502 E C 1.330 177.954 176.600 0.039 0.000 1.012 502 E CA 0.647 57.084 56.400 0.061 0.000 0.860 502 E CB -0.585 29.190 29.700 0.125 0.000 0.811 502 E HN 0.901 nan 8.360 nan 0.000 0.502 503 R N -0.181 120.326 120.500 0.013 0.000 2.531 503 R HA 0.405 4.745 4.340 -0.001 0.000 0.260 503 R C -0.775 175.521 176.300 -0.007 0.000 1.144 503 R CA -0.370 55.727 56.100 -0.006 0.000 1.171 503 R CB 0.587 30.864 30.300 -0.038 0.000 1.199 503 R HN 0.052 nan 8.270 nan 0.000 0.594 504 D N 0.395 120.788 120.400 -0.012 0.000 2.392 504 D HA 0.228 4.867 4.640 -0.001 0.000 0.228 504 D C -1.749 174.540 176.300 -0.019 0.000 1.074 504 D CA -2.597 51.396 54.000 -0.013 0.000 0.838 504 D CB 1.797 42.590 40.800 -0.012 0.000 1.067 504 D HN 0.259 nan 8.370 nan 0.000 0.511 505 P HA -0.094 nan 4.420 nan 0.000 0.216 505 P C 1.023 178.311 177.300 -0.020 0.000 1.150 505 P CA 1.392 64.481 63.100 -0.019 0.000 0.837 505 P CB 0.328 32.020 31.700 -0.015 0.000 0.786 506 E N 0.532 120.720 120.200 -0.020 0.000 2.230 506 E HA -0.096 4.254 4.350 -0.001 0.000 0.192 506 E C 1.869 178.453 176.600 -0.026 0.000 0.987 506 E CA 0.986 57.373 56.400 -0.023 0.000 0.841 506 E CB -0.984 28.703 29.700 -0.022 0.000 0.783 506 E HN 0.313 nan 8.360 nan 0.000 0.481 507 K N -0.047 120.338 120.400 -0.025 0.000 2.062 507 K HA -0.010 4.309 4.320 -0.001 0.000 0.205 507 K C 2.298 178.880 176.600 -0.030 0.000 1.051 507 K CA 1.088 57.359 56.287 -0.028 0.000 0.941 507 K CB -0.164 32.322 32.500 -0.024 0.000 0.719 507 K HN 0.233 nan 8.250 nan 0.000 0.440 508 V N 1.995 121.891 119.914 -0.030 0.000 2.233 508 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 508 V C 2.355 178.431 176.094 -0.031 0.000 1.050 508 V CA 1.759 64.040 62.300 -0.033 0.000 1.010 508 V CB -0.394 31.408 31.823 -0.035 0.000 0.637 508 V HN 0.332 nan 8.190 nan 0.000 0.444 509 K N -0.210 120.173 120.400 -0.028 0.000 2.063 509 K HA -0.230 4.090 4.320 -0.001 0.000 0.208 509 K C 2.215 178.798 176.600 -0.028 0.000 1.048 509 K CA 1.745 58.017 56.287 -0.026 0.000 0.928 509 K CB -0.355 32.130 32.500 -0.024 0.000 0.713 509 K HN 0.453 nan 8.250 nan 0.000 0.442 510 A N 0.993 123.793 122.820 -0.033 0.000 1.877 510 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 510 A C 2.321 179.883 177.584 -0.037 0.000 1.186 510 A CA 1.999 54.012 52.037 -0.041 0.000 0.620 510 A CB -0.742 18.229 19.000 -0.048 0.000 0.822 510 A HN 0.463 nan 8.150 nan 0.000 0.443 511 A N -0.149 122.651 122.820 -0.032 0.000 1.902 511 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 511 A C 2.181 179.753 177.584 -0.021 0.000 1.181 511 A CA 1.572 53.593 52.037 -0.027 0.000 0.623 511 A CB -0.667 18.315 19.000 -0.030 0.000 0.818 511 A HN 0.491 nan 8.150 nan 0.000 0.443 512 L N -0.642 120.567 121.223 -0.024 0.000 2.046 512 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 512 L C 2.087 178.948 176.870 -0.016 0.000 1.077 512 L CA 1.543 56.368 54.840 -0.024 0.000 0.747 512 L CB -0.794 41.249 42.059 -0.026 0.000 0.896 512 L HN 0.260 nan 8.230 nan 0.000 0.432 513 D N 0.048 120.442 120.400 -0.010 0.000 2.144 513 D HA -0.157 4.483 4.640 -0.001 0.000 0.200 513 D C 2.175 178.503 176.300 0.048 0.000 0.978 513 D CA 0.951 54.955 54.000 0.006 0.000 0.833 513 D CB -0.038 40.757 40.800 -0.009 0.000 0.961 513 D HN 0.168 nan 8.370 nan 0.000 0.470 514 K N 0.230 120.653 120.400 0.038 0.000 2.097 514 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 514 K C 2.170 178.872 176.600 0.170 0.000 1.049 514 K CA 0.634 56.985 56.287 0.106 0.000 0.933 514 K CB -0.105 32.412 32.500 0.030 0.000 0.717 514 K HN 0.157 nan 8.250 nan 0.000 0.442 515 I N 0.467 121.072 120.570 0.058 0.000 2.142 515 I HA -0.298 3.871 4.170 -0.001 0.000 0.240 515 I C 2.176 178.260 176.117 -0.055 0.000 1.078 515 I CA 1.534 62.831 61.300 -0.005 0.000 1.343 515 I CB -0.565 37.407 38.000 -0.046 0.000 1.046 515 I HN 0.183 nan 8.210 nan 0.000 0.405 516 T N -0.205 114.318 114.554 -0.051 0.000 2.720 516 T HA -0.269 4.081 4.350 -0.001 0.000 0.268 516 T C 1.369 176.040 174.700 -0.048 0.000 1.037 516 T CA 1.691 63.732 62.100 -0.098 0.000 1.144 516 T CB -0.583 68.249 68.868 -0.060 0.000 0.864 516 T HN 0.550 nan 8.240 nan 0.000 0.444 517 W N 2.362 123.594 121.300 -0.113 0.000 2.315 517 W HA -0.163 4.497 4.660 -0.001 0.000 0.323 517 W C 2.629 179.093 176.519 -0.092 0.000 1.233 517 W CA 1.510 58.802 57.345 -0.089 0.000 1.267 517 W CB -0.811 28.611 29.460 -0.064 0.000 1.160 517 W HN 0.240 nan 8.180 nan 0.000 0.474 518 A N 0.696 123.378 122.820 -0.230 0.000 1.933 518 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 518 A C 2.124 179.491 177.584 -0.362 0.000 1.175 518 A CA 2.729 54.489 52.037 -0.463 0.000 0.628 518 A CB -1.583 17.330 19.000 -0.145 0.000 0.814 518 A HN 0.530 nan 8.150 nan 0.000 0.444 519 A N -0.450 122.174 122.820 -0.327 0.000 1.883 519 A HA 0.062 4.381 4.320 -0.001 0.000 0.217 519 A C 2.399 179.774 177.584 -0.347 0.000 1.186 519 A CA 2.005 53.774 52.037 -0.447 0.000 0.624 519 A CB -1.391 17.075 19.000 -0.890 0.000 0.822 519 A HN 0.800 nan 8.150 nan 0.000 0.444 520 G N -1.053 107.551 108.800 -0.326 0.000 2.484 520 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.218 520 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.218 520 G C 0.331 175.068 174.900 -0.272 0.000 1.130 520 G CA 0.710 45.667 45.100 -0.238 0.000 0.784 520 G HN 0.575 nan 8.290 nan 0.000 0.543 521 N N 1.098 119.531 118.700 -0.445 0.000 2.841 521 N HA 0.314 5.054 4.740 -0.001 0.000 0.257 521 N C -2.929 172.328 175.510 -0.421 0.000 1.396 521 N CA -1.044 51.725 53.050 -0.469 0.000 0.823 521 N CB 2.106 40.116 38.487 -0.794 0.000 1.162 521 N HN 0.067 nan 8.380 nan 0.000 0.503 522 P HA 0.130 nan 4.420 nan 0.000 0.271 522 P C -0.897 176.323 177.300 -0.134 0.000 1.226 522 P CA 0.192 63.191 63.100 -0.168 0.000 0.765 522 P CB 1.074 32.721 31.700 -0.088 0.000 0.835 523 D N 2.333 122.663 120.400 -0.116 0.000 2.575 523 D HA 0.119 4.758 4.640 -0.001 0.000 0.250 523 D C 0.432 176.711 176.300 -0.036 0.000 1.279 523 D CA -0.324 53.637 54.000 -0.065 0.000 0.925 523 D CB 0.886 41.656 40.800 -0.050 0.000 1.261 523 D HN 0.017 nan 8.370 nan 0.000 0.567 524 D N 2.252 122.637 120.400 -0.025 0.000 2.123 524 D HA -0.138 4.502 4.640 -0.001 0.000 0.196 524 D C 1.107 177.407 176.300 -0.000 0.000 0.992 524 D CA 1.172 55.164 54.000 -0.013 0.000 0.833 524 D CB 0.362 41.156 40.800 -0.010 0.000 0.954 524 D HN 0.380 nan 8.370 nan 0.000 0.455 525 K N 0.086 120.488 120.400 0.004 0.000 2.487 525 K HA 0.011 4.331 4.320 -0.001 0.000 0.192 525 K C -0.109 176.503 176.600 0.020 0.000 1.027 525 K CA 0.120 56.415 56.287 0.012 0.000 1.054 525 K CB 0.332 32.840 32.500 0.012 0.000 0.824 525 K HN 0.014 nan 8.250 nan 0.000 0.510 526 D N -0.053 120.361 120.400 0.024 0.000 2.453 526 D HA 0.143 4.783 4.640 -0.001 0.000 0.238 526 D C -2.009 174.319 176.300 0.047 0.000 1.088 526 D CA -2.543 51.481 54.000 0.041 0.000 0.854 526 D CB 1.507 42.342 40.800 0.057 0.000 1.076 526 D HN -0.225 nan 8.370 nan 0.000 0.533 527 P HA -0.060 nan 4.420 nan 0.000 0.218 527 P C 0.548 177.899 177.300 0.085 0.000 1.149 527 P CA 0.707 63.844 63.100 0.063 0.000 0.817 527 P CB 0.350 32.079 31.700 0.048 0.000 0.785 528 D N -0.655 119.796 120.400 0.084 0.000 2.310 528 D HA -0.124 4.516 4.640 -0.001 0.000 0.212 528 D C 1.867 178.244 176.300 0.129 0.000 0.965 528 D CA 0.737 54.795 54.000 0.097 0.000 0.879 528 D CB -0.143 40.709 40.800 0.086 0.000 0.921 528 D HN 0.247 nan 8.370 nan 0.000 0.510 529 R N 0.800 121.383 120.500 0.138 0.000 2.300 529 R HA 0.003 4.343 4.340 -0.001 0.000 0.199 529 R C 0.731 177.062 176.300 0.051 0.000 0.920 529 R CA -0.269 55.913 56.100 0.137 0.000 1.046 529 R CB 0.187 30.532 30.300 0.076 0.000 0.984 529 R HN 0.008 nan 8.270 nan 0.000 0.493 530 N N 1.418 120.150 118.700 0.054 0.000 2.293 530 N HA -0.134 4.605 4.740 -0.001 0.000 0.253 530 N C 0.938 176.445 175.510 -0.004 0.000 1.248 530 N CA 0.333 53.403 53.050 0.034 0.000 0.845 530 N CB 0.742 39.286 38.487 0.095 0.000 1.073 530 N HN 0.190 nan 8.380 nan 0.000 0.464 531 L N 2.966 124.170 121.223 -0.031 0.000 2.201 531 L HA -0.171 4.168 4.340 -0.001 0.000 0.212 531 L C 2.177 178.986 176.870 -0.103 0.000 1.105 531 L CA 0.436 55.243 54.840 -0.055 0.000 0.775 531 L CB -0.300 41.735 42.059 -0.040 0.000 0.913 531 L HN 0.554 nan 8.230 nan 0.000 0.440 532 L N 0.160 121.287 121.223 -0.160 0.000 2.044 532 L HA -0.165 4.175 4.340 -0.001 0.000 0.205 532 L C 2.542 179.176 176.870 -0.393 0.000 1.075 532 L CA 1.768 56.424 54.840 -0.307 0.000 0.747 532 L CB -0.807 40.979 42.059 -0.456 0.000 0.903 532 L HN 0.095 nan 8.230 nan 0.000 0.435 533 K N -0.077 120.114 120.400 -0.349 0.000 2.020 533 K HA -0.205 4.114 4.320 -0.001 0.000 0.212 533 K C 2.069 178.614 176.600 -0.092 0.000 1.050 533 K CA 2.238 58.421 56.287 -0.174 0.000 0.929 533 K CB -0.467 32.066 32.500 0.054 0.000 0.714 533 K HN 0.454 nan 8.250 nan 0.000 0.443 534 L N 0.176 121.366 121.223 -0.055 0.000 2.217 534 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 534 L C 2.773 179.609 176.870 -0.056 0.000 1.107 534 L CA 0.589 55.411 54.840 -0.030 0.000 0.783 534 L CB -0.355 41.709 42.059 0.009 0.000 0.919 534 L HN 0.253 nan 8.230 nan 0.000 0.442 535 C N -0.000 119.246 119.300 -0.090 0.000 2.446 535 C HA -0.097 4.363 4.460 -0.001 0.000 0.277 535 C C 2.741 177.673 174.990 -0.097 0.000 1.275 535 C CA 0.278 59.242 59.018 -0.090 0.000 1.727 535 C CB -0.467 27.213 27.740 -0.100 0.000 2.010 535 C HN 0.413 nan 8.230 nan 0.000 0.486 536 I N 1.216 121.708 120.570 -0.130 0.000 2.118 536 I HA -0.272 3.898 4.170 -0.001 0.000 0.241 536 I C 2.220 178.296 176.117 -0.067 0.000 1.070 536 I CA 1.818 63.050 61.300 -0.112 0.000 1.327 536 I CB -0.542 37.371 38.000 -0.144 0.000 1.034 536 I HN 0.341 nan 8.210 nan 0.000 0.405 537 D N 0.823 121.192 120.400 -0.053 0.000 2.104 537 D HA -0.199 4.441 4.640 -0.001 0.000 0.194 537 D C 2.231 178.509 176.300 -0.036 0.000 0.994 537 D CA 1.763 55.742 54.000 -0.034 0.000 0.830 537 D CB -0.300 40.486 40.800 -0.023 0.000 0.959 537 D HN 0.416 nan 8.370 nan 0.000 0.452 538 A N 0.692 123.487 122.820 -0.041 0.000 1.933 538 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 538 A C 2.378 179.934 177.584 -0.046 0.000 1.175 538 A CA 2.078 54.090 52.037 -0.042 0.000 0.628 538 A CB -0.967 18.007 19.000 -0.042 0.000 0.814 538 A HN 0.318 nan 8.150 nan 0.000 0.444 539 G N -1.065 107.705 108.800 -0.050 0.000 2.448 539 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 539 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 539 G C 1.678 176.554 174.900 -0.040 0.000 1.135 539 G CA 0.811 45.882 45.100 -0.048 0.000 0.784 539 G HN 0.532 nan 8.290 nan 0.000 0.543 540 R N 0.448 120.927 120.500 -0.035 0.000 2.115 540 R HA 0.129 4.468 4.340 -0.001 0.000 0.226 540 R C 2.516 178.802 176.300 -0.023 0.000 1.100 540 R CA 1.039 57.124 56.100 -0.025 0.000 0.980 540 R CB -0.192 30.094 30.300 -0.023 0.000 0.875 540 R HN 0.255 nan 8.270 nan 0.000 0.445 541 A N 0.164 122.967 122.820 -0.029 0.000 2.235 541 A HA 0.077 4.396 4.320 -0.001 0.000 0.208 541 A C 0.941 178.499 177.584 -0.043 0.000 1.172 541 A CA 0.647 52.666 52.037 -0.031 0.000 0.786 541 A CB -0.169 18.812 19.000 -0.032 0.000 0.804 541 A HN 0.557 nan 8.150 nan 0.000 0.479 542 M N -2.964 116.601 119.600 -0.058 0.000 2.985 542 M HA -0.166 4.314 4.480 -0.001 0.000 0.222 542 M C 0.324 176.561 176.300 -0.105 0.000 0.535 542 M CA 0.274 55.515 55.300 -0.098 0.000 0.813 542 M CB -1.998 30.535 32.600 -0.112 0.000 2.924 542 M HN 0.576 nan 8.290 nan 0.000 0.437 543 A N 0.760 123.534 122.820 -0.077 0.000 2.388 543 A HA 0.640 4.959 4.320 -0.001 0.000 0.257 543 A C 0.879 178.418 177.584 -0.075 0.000 1.095 543 A CA 0.451 52.447 52.037 -0.068 0.000 0.791 543 A CB 0.373 19.342 19.000 -0.052 0.000 1.029 543 A HN 0.519 nan 8.150 nan 0.000 0.489 544 T N -0.688 113.824 114.554 -0.069 0.000 2.788 544 T HA 0.331 4.681 4.350 -0.001 0.000 0.280 544 T C 1.195 175.866 174.700 -0.050 0.000 0.984 544 T CA -0.027 62.035 62.100 -0.064 0.000 0.972 544 T CB 0.635 69.471 68.868 -0.054 0.000 1.039 544 T HN 0.362 nan 8.240 nan 0.000 0.530 545 V N 1.526 121.412 119.914 -0.046 0.000 2.307 545 V HA 0.021 4.140 4.120 -0.001 0.000 0.245 545 V C 2.887 178.951 176.094 -0.050 0.000 1.045 545 V CA 2.365 64.633 62.300 -0.052 0.000 1.024 545 V CB -1.540 30.248 31.823 -0.060 0.000 0.651 545 V HN 1.114 nan 8.190 nan 0.000 0.449 546 G N -0.628 108.150 108.800 -0.036 0.000 2.459 546 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 546 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 546 G C 1.446 176.331 174.900 -0.025 0.000 1.183 546 G CA 1.003 46.085 45.100 -0.030 0.000 0.776 546 G HN 0.550 nan 8.290 nan 0.000 0.552 547 E N -0.131 120.056 120.200 -0.022 0.000 2.038 547 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 547 E C 2.682 179.268 176.600 -0.023 0.000 1.000 547 E CA 1.305 57.693 56.400 -0.021 0.000 0.803 547 E CB -0.216 29.467 29.700 -0.028 0.000 0.750 547 E HN 0.417 nan 8.360 nan 0.000 0.448 548 M N 0.296 119.878 119.600 -0.029 0.000 2.108 548 M HA -0.175 4.304 4.480 -0.001 0.000 0.261 548 M C 2.446 178.743 176.300 -0.005 0.000 1.066 548 M CA 1.220 56.503 55.300 -0.027 0.000 1.107 548 M CB -0.182 32.396 32.600 -0.036 0.000 1.356 548 M HN -0.007 nan 8.290 nan 0.000 0.406 549 S N 0.313 116.020 115.700 0.011 0.000 2.383 549 S HA -0.125 4.345 4.470 -0.001 0.000 0.227 549 S C 1.347 176.003 174.600 0.092 0.000 1.026 549 S CA 1.155 59.402 58.200 0.078 0.000 0.981 549 S CB -0.376 62.810 63.200 -0.023 0.000 0.818 549 S HN 0.413 nan 8.310 nan 0.000 0.472 550 D N 1.965 122.378 120.400 0.022 0.000 2.117 550 D HA 0.015 4.655 4.640 -0.001 0.000 0.198 550 D C 2.158 178.462 176.300 0.007 0.000 0.982 550 D CA 1.177 55.191 54.000 0.022 0.000 0.828 550 D CB -0.522 40.283 40.800 0.008 0.000 0.967 550 D HN 0.371 nan 8.370 nan 0.000 0.464 551 A N 0.622 123.429 122.820 -0.022 0.000 1.908 551 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 551 A C 2.351 179.850 177.584 -0.141 0.000 1.181 551 A CA 1.091 53.090 52.037 -0.064 0.000 0.627 551 A CB -0.776 18.188 19.000 -0.060 0.000 0.818 551 A HN 0.231 nan 8.150 nan 0.000 0.445 552 L N -1.142 119.986 121.223 -0.159 0.000 2.109 552 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 552 L C 2.551 179.225 176.870 -0.327 0.000 1.086 552 L CA 1.506 56.120 54.840 -0.376 0.000 0.760 552 L CB -0.473 41.398 42.059 -0.313 0.000 0.910 552 L HN 0.527 nan 8.230 nan 0.000 0.437 553 E N 0.753 120.982 120.200 0.049 0.000 2.153 553 E HA -0.247 4.102 4.350 -0.001 0.000 0.194 553 E C 2.061 178.693 176.600 0.054 0.000 0.988 553 E CA 1.067 57.585 56.400 0.197 0.000 0.811 553 E CB 0.170 30.005 29.700 0.224 0.000 0.746 553 E HN 0.381 nan 8.360 nan 0.000 0.466 554 K N -0.267 120.112 120.400 -0.036 0.000 2.044 554 K HA -0.169 4.150 4.320 -0.001 0.000 0.210 554 K C 2.048 178.600 176.600 -0.080 0.000 1.049 554 K CA 1.710 57.968 56.287 -0.050 0.000 0.927 554 K CB 0.025 32.483 32.500 -0.070 0.000 0.713 554 K HN 0.045 nan 8.250 nan 0.000 0.443 555 V N -0.036 119.754 119.914 -0.206 0.000 2.500 555 V HA -0.116 4.003 4.120 -0.001 0.000 0.243 555 V C 1.778 177.869 176.094 -0.005 0.000 1.039 555 V CA 1.330 63.515 62.300 -0.191 0.000 1.053 555 V CB -0.331 31.248 31.823 -0.406 0.000 0.695 555 V HN 0.137 nan 8.190 nan 0.000 0.463 556 F N 0.877 120.794 119.950 -0.054 0.000 2.416 556 F HA 0.479 5.005 4.527 -0.000 0.000 0.296 556 F C 1.660 177.520 175.800 0.100 0.000 1.099 556 F CA 0.368 58.355 58.000 -0.021 0.000 1.427 556 F CB -1.182 37.712 39.000 -0.177 0.000 1.079 556 F HN 0.280 nan 8.300 nan 0.000 0.536 557 G N 0.789 109.776 108.800 0.312 0.000 2.860 557 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.553 557 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.553 557 G C -0.312 174.793 174.900 0.341 0.000 1.439 557 G CA -0.779 44.478 45.100 0.262 0.000 0.879 557 G HN 0.339 nan 8.290 nan 0.000 0.545 558 R N -0.757 119.886 120.500 0.238 0.000 2.532 558 R HA 0.546 4.886 4.340 -0.001 0.000 0.295 558 R C -0.400 176.059 176.300 0.264 0.000 0.968 558 R CA -0.743 55.486 56.100 0.214 0.000 0.916 558 R CB 1.273 31.650 30.300 0.128 0.000 1.124 558 R HN 0.626 nan 8.270 nan 0.000 0.463 559 Y N 1.081 121.497 120.300 0.192 0.000 2.320 559 Y HA 0.290 4.839 4.550 -0.001 0.000 0.324 559 Y C -0.640 175.402 175.900 0.237 0.000 1.190 559 Y CA 0.172 58.379 58.100 0.177 0.000 1.215 559 Y CB 1.577 40.137 38.460 0.167 0.000 1.221 559 Y HN 0.428 nan 8.280 nan 0.000 0.486 560 T N 5.716 120.011 114.554 -0.432 0.000 2.841 560 T HA 0.708 5.058 4.350 -0.001 0.000 0.285 560 T C -0.596 173.667 174.700 -0.729 0.000 0.991 560 T CA -0.536 61.390 62.100 -0.290 0.000 0.966 560 T CB 0.994 69.792 68.868 -0.117 0.000 0.962 560 T HN 0.855 nan 8.240 nan 0.000 0.438 561 A N 2.721 125.334 122.820 -0.346 0.000 2.257 561 A HA 0.629 4.949 4.320 -0.001 0.000 0.289 561 A C 0.084 177.586 177.584 -0.136 0.000 1.095 561 A CA -0.590 51.304 52.037 -0.238 0.000 0.836 561 A CB 0.573 19.638 19.000 0.108 0.000 1.111 561 A HN 0.742 nan 8.150 nan 0.000 0.497 562 Q N 0.524 120.281 119.800 -0.073 0.000 2.271 562 Q HA 0.439 4.779 4.340 -0.001 0.000 0.258 562 Q C -1.115 174.876 176.000 -0.016 0.000 0.936 562 Q CA -0.702 55.073 55.803 -0.047 0.000 0.909 562 Q CB 0.734 29.447 28.738 -0.041 0.000 1.253 562 Q HN 0.603 nan 8.270 nan 0.000 0.440 563 I N 4.107 124.666 120.570 -0.019 0.000 2.371 563 I HA 0.313 4.483 4.170 -0.001 0.000 0.290 563 I C 0.029 176.140 176.117 -0.010 0.000 1.028 563 I CA 0.183 61.475 61.300 -0.013 0.000 1.345 563 I CB 0.771 38.759 38.000 -0.019 0.000 1.407 563 I HN 0.597 nan 8.210 nan 0.000 0.501 564 R N 3.723 124.220 120.500 -0.005 0.000 2.502 564 R HA 0.505 4.844 4.340 -0.001 0.000 0.300 564 R C -0.876 175.422 176.300 -0.004 0.000 0.984 564 R CA -0.492 55.606 56.100 -0.005 0.000 0.882 564 R CB 2.166 32.464 30.300 -0.004 0.000 1.180 564 R HN 0.554 nan 8.270 nan 0.000 0.444 565 T N 4.464 119.016 114.554 -0.004 0.000 2.797 565 T HA 0.383 4.732 4.350 -0.001 0.000 0.279 565 T C 0.585 175.286 174.700 0.003 0.000 0.991 565 T CA -0.723 61.375 62.100 -0.004 0.000 0.979 565 T CB 0.880 69.744 68.868 -0.007 0.000 0.943 565 T HN 0.493 nan 8.240 nan 0.000 0.444 566 I N 0.910 121.483 120.570 0.004 0.000 3.004 566 I HA 0.669 4.839 4.170 -0.001 0.000 0.287 566 I C 0.141 176.269 176.117 0.019 0.000 1.144 566 I CA -0.409 60.897 61.300 0.011 0.000 1.353 566 I CB 0.722 38.730 38.000 0.012 0.000 1.417 566 I HN 0.605 nan 8.210 nan 0.000 0.602 567 S N 1.331 117.045 115.700 0.024 0.000 2.540 567 S HA 0.705 5.175 4.470 -0.001 0.000 0.275 567 S C 0.259 174.882 174.600 0.040 0.000 1.123 567 S CA -0.267 57.953 58.200 0.034 0.000 0.907 567 S CB 1.321 64.539 63.200 0.030 0.000 1.081 567 S HN 1.808 nan 8.310 nan 0.000 0.476 568 G N 0.422 109.255 108.800 0.055 0.000 2.143 568 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.248 568 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.248 568 G C 0.457 175.392 174.900 0.059 0.000 0.991 568 G CA 0.289 45.423 45.100 0.058 0.000 0.689 568 G HN 1.035 nan 8.290 nan 0.000 0.522 569 V N -0.854 119.104 119.914 0.073 0.000 2.492 569 V HA 0.043 4.163 4.120 -0.001 0.000 0.241 569 V C 2.016 178.163 176.094 0.088 0.000 1.041 569 V CA 2.015 64.353 62.300 0.062 0.000 1.057 569 V CB -0.783 31.072 31.823 0.053 0.000 0.711 569 V HN 0.456 nan 8.190 nan 0.000 0.468 570 Y N 2.365 122.672 120.300 0.012 0.000 2.089 570 Y HA -0.305 4.245 4.550 -0.000 0.000 0.282 570 Y C 2.946 178.859 175.900 0.021 0.000 1.139 570 Y CA 2.314 60.425 58.100 0.018 0.000 1.123 570 Y CB -0.356 38.118 38.460 0.025 0.000 0.980 570 Y HN 0.361 nan 8.280 nan 0.000 0.493 571 S N 0.026 115.843 115.700 0.194 0.000 2.353 571 S HA -0.327 4.143 4.470 -0.001 0.000 0.222 571 S C 2.092 176.688 174.600 -0.007 0.000 1.035 571 S CA 1.676 59.931 58.200 0.093 0.000 1.025 571 S CB -0.812 62.460 63.200 0.120 0.000 0.902 571 S HN 0.525 nan 8.310 nan 0.000 0.440 572 K N 1.373 121.776 120.400 0.004 0.000 2.044 572 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 572 K C 2.268 178.842 176.600 -0.044 0.000 1.049 572 K CA 1.786 58.065 56.287 -0.013 0.000 0.927 572 K CB -0.362 32.138 32.500 0.001 0.000 0.713 572 K HN 0.397 nan 8.250 nan 0.000 0.443 573 E N 0.387 120.544 120.200 -0.073 0.000 2.019 573 E HA -0.156 4.193 4.350 -0.001 0.000 0.208 573 E C -0.222 176.320 176.600 -0.097 0.000 1.030 573 E CA 1.714 58.060 56.400 -0.090 0.000 0.856 573 E CB -0.038 29.590 29.700 -0.120 0.000 0.781 573 E HN 0.087 nan 8.360 nan 0.000 0.471 574 V N 2.307 122.131 119.914 -0.150 0.000 2.259 574 V HA 0.218 4.338 4.120 -0.001 0.000 0.267 574 V C -0.044 175.997 176.094 -0.088 0.000 1.051 574 V CA -0.507 61.728 62.300 -0.109 0.000 0.830 574 V CB 0.775 32.531 31.823 -0.111 0.000 1.080 574 V HN 0.154 nan 8.190 nan 0.000 0.467 575 K N 2.908 123.277 120.400 -0.052 0.000 2.188 575 K HA 0.145 4.464 4.320 -0.001 0.000 0.246 575 K C 0.903 177.491 176.600 -0.020 0.000 1.026 575 K CA 0.004 56.273 56.287 -0.029 0.000 0.871 575 K CB 0.155 32.644 32.500 -0.017 0.000 1.042 575 K HN 0.901 nan 8.250 nan 0.000 0.509 576 N N -0.058 118.637 118.700 -0.008 0.000 2.726 576 N HA -0.227 4.513 4.740 -0.001 0.000 0.287 576 N C -1.315 174.194 175.510 -0.001 0.000 1.052 576 N CA 0.371 53.420 53.050 -0.001 0.000 0.805 576 N CB -1.260 37.227 38.487 -0.001 0.000 0.944 576 N HN 0.382 nan 8.380 nan 0.000 0.574 577 T N 1.059 115.615 114.554 0.003 0.000 2.855 577 T HA 0.362 4.711 4.350 -0.001 0.000 0.281 577 T C -1.230 173.479 174.700 0.015 0.000 1.007 577 T CA -1.483 60.620 62.100 0.006 0.000 1.009 577 T CB 2.124 70.995 68.868 0.004 0.000 0.983 577 T HN 0.072 nan 8.240 nan 0.000 0.455 578 P HA -0.100 nan 4.420 nan 0.000 0.215 578 P C 1.084 178.396 177.300 0.020 0.000 1.157 578 P CA 1.182 64.291 63.100 0.015 0.000 0.874 578 P CB 0.333 32.040 31.700 0.013 0.000 0.790 579 E N -0.815 119.401 120.200 0.027 0.000 2.106 579 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 579 E C 2.054 178.679 176.600 0.041 0.000 0.984 579 E CA 0.716 57.136 56.400 0.034 0.000 0.806 579 E CB -1.081 28.645 29.700 0.044 0.000 0.750 579 E HN -0.025 nan 8.360 nan 0.000 0.458 580 V N 1.141 121.087 119.914 0.053 0.000 2.287 580 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 580 V C 2.556 178.673 176.094 0.038 0.000 1.053 580 V CA 2.505 64.843 62.300 0.065 0.000 1.027 580 V CB -1.149 30.720 31.823 0.077 0.000 0.646 580 V HN 0.509 nan 8.190 nan 0.000 0.447 581 E N -0.208 120.007 120.200 0.025 0.000 2.072 581 E HA -0.302 4.047 4.350 -0.001 0.000 0.191 581 E C 2.137 178.741 176.600 0.007 0.000 0.985 581 E CA 1.499 57.907 56.400 0.014 0.000 0.801 581 E CB -0.639 29.068 29.700 0.011 0.000 0.750 581 E HN 0.771 nan 8.360 nan 0.000 0.452 582 E N -0.263 119.942 120.200 0.009 0.000 2.058 582 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 582 E C 2.409 179.006 176.600 -0.006 0.000 0.997 582 E CA 1.102 57.504 56.400 0.003 0.000 0.801 582 E CB -0.263 29.442 29.700 0.009 0.000 0.746 582 E HN 0.492 nan 8.360 nan 0.000 0.450 583 A N 1.194 124.012 122.820 -0.004 0.000 1.865 583 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 583 A C 2.185 179.740 177.584 -0.050 0.000 1.191 583 A CA 1.764 53.786 52.037 -0.024 0.000 0.623 583 A CB -0.607 18.388 19.000 -0.008 0.000 0.826 583 A HN 0.183 nan 8.150 nan 0.000 0.444 584 R N -0.396 120.087 120.500 -0.029 0.000 2.112 584 R HA -0.200 4.140 4.340 -0.001 0.000 0.242 584 R C 2.241 178.512 176.300 -0.049 0.000 1.137 584 R CA 2.140 58.217 56.100 -0.040 0.000 0.944 584 R CB -0.396 29.898 30.300 -0.010 0.000 0.857 584 R HN 0.729 nan 8.270 nan 0.000 0.435 585 E N 0.135 120.317 120.200 -0.030 0.000 2.085 585 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 585 E C 1.998 178.580 176.600 -0.031 0.000 0.994 585 E CA 1.253 57.638 56.400 -0.025 0.000 0.801 585 E CB -0.120 29.572 29.700 -0.013 0.000 0.743 585 E HN 0.323 nan 8.360 nan 0.000 0.453 586 L N 0.367 121.566 121.223 -0.039 0.000 2.083 586 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 586 L C 2.408 179.231 176.870 -0.078 0.000 1.083 586 L CA 0.635 55.450 54.840 -0.042 0.000 0.752 586 L CB -0.421 41.612 42.059 -0.043 0.000 0.899 586 L HN 0.065 nan 8.230 nan 0.000 0.433 587 V N -0.174 119.643 119.914 -0.163 0.000 2.358 587 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 587 V C 2.344 178.373 176.094 -0.109 0.000 1.047 587 V CA 1.658 63.799 62.300 -0.265 0.000 1.035 587 V CB -0.450 31.133 31.823 -0.400 0.000 0.658 587 V HN 0.437 nan 8.190 nan 0.000 0.452 588 E N 0.402 120.562 120.200 -0.066 0.000 2.051 588 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 588 E C 2.461 179.060 176.600 -0.002 0.000 0.991 588 E CA 1.600 57.983 56.400 -0.027 0.000 0.799 588 E CB -0.292 29.394 29.700 -0.025 0.000 0.748 588 E HN 0.770 nan 8.360 nan 0.000 0.449 589 E N 0.832 121.034 120.200 0.003 0.000 2.160 589 E HA -0.217 4.132 4.350 -0.001 0.000 0.195 589 E C 1.575 178.192 176.600 0.028 0.000 0.991 589 E CA 1.358 57.764 56.400 0.009 0.000 0.810 589 E CB -1.001 28.704 29.700 0.008 0.000 0.742 589 E HN 0.345 nan 8.360 nan 0.000 0.466 590 F N 0.898 120.778 119.950 -0.116 0.000 2.146 590 F HA -0.002 4.525 4.527 -0.001 0.000 0.298 590 F C 2.413 178.145 175.800 -0.113 0.000 1.096 590 F CA 2.062 59.981 58.000 -0.135 0.000 1.275 590 F CB 0.063 38.937 39.000 -0.209 0.000 1.008 590 F HN 0.318 nan 8.300 nan 0.000 0.480 591 E N -0.280 119.990 120.200 0.116 0.000 2.051 591 E HA -0.253 4.097 4.350 -0.001 0.000 0.192 591 E C 2.177 178.754 176.600 -0.037 0.000 0.991 591 E CA 1.564 57.991 56.400 0.045 0.000 0.799 591 E CB -0.148 29.582 29.700 0.049 0.000 0.748 591 E HN 0.474 nan 8.360 nan 0.000 0.449 592 Q N 0.112 119.889 119.800 -0.039 0.000 2.030 592 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 592 Q C 2.287 178.235 176.000 -0.087 0.000 0.986 592 Q CA 1.591 57.364 55.803 -0.050 0.000 0.843 592 Q CB -0.512 28.204 28.738 -0.037 0.000 0.904 592 Q HN 0.396 nan 8.270 nan 0.000 0.420 593 A N 1.355 124.095 122.820 -0.132 0.000 1.902 593 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 593 A C 1.827 179.271 177.584 -0.233 0.000 1.181 593 A CA 1.465 53.396 52.037 -0.178 0.000 0.623 593 A CB -0.067 18.801 19.000 -0.220 0.000 0.818 593 A HN 0.228 nan 8.150 nan 0.000 0.443 594 E N -2.339 117.657 120.200 -0.341 0.000 2.473 594 E HA 0.252 4.601 4.350 -0.001 0.000 0.204 594 E C 1.242 177.761 176.600 -0.135 0.000 0.994 594 E CA 0.771 56.981 56.400 -0.316 0.000 0.945 594 E CB 0.312 29.635 29.700 -0.629 0.000 0.990 594 E HN 0.816 nan 8.360 nan 0.000 0.493 595 G N 2.326 111.073 108.800 -0.089 0.000 2.176 595 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.232 595 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.232 595 G C 0.364 175.277 174.900 0.022 0.000 0.986 595 G CA 0.333 45.419 45.100 -0.024 0.000 0.643 595 G HN 0.313 nan 8.290 nan 0.000 0.522 596 R N -1.255 119.283 120.500 0.064 0.000 2.733 596 R HA 0.677 5.017 4.340 -0.001 0.000 0.272 596 R C -0.498 175.925 176.300 0.205 0.000 1.029 596 R CA -1.183 54.992 56.100 0.124 0.000 0.888 596 R CB 0.840 31.235 30.300 0.158 0.000 1.251 596 R HN 0.152 nan 8.270 nan 0.000 0.464 597 R N 0.736 121.337 120.500 0.168 0.000 2.679 597 R HA 0.274 4.614 4.340 -0.001 0.000 0.269 597 R C -2.111 174.308 176.300 0.199 0.000 1.076 597 R CA -1.520 54.654 56.100 0.123 0.000 1.160 597 R CB 0.269 30.585 30.300 0.026 0.000 1.054 597 R HN 0.403 nan 8.270 nan 0.000 0.507 598 P HA 0.014 nan 4.420 nan 0.000 0.267 598 P C -0.986 176.401 177.300 0.144 0.000 1.209 598 P CA 0.302 63.148 63.100 -0.423 0.000 0.763 598 P CB 0.572 31.500 31.700 -1.285 0.000 0.816 599 R N 3.506 124.315 120.500 0.514 0.000 2.445 599 R HA 0.721 5.061 4.340 -0.001 0.000 0.308 599 R C -0.881 175.607 176.300 0.312 0.000 0.961 599 R CA -0.950 55.360 56.100 0.349 0.000 0.862 599 R CB 0.947 31.364 30.300 0.195 0.000 1.144 599 R HN 0.508 nan 8.270 nan 0.000 0.447 600 I N 4.453 125.161 120.570 0.231 0.000 2.582 600 I HA 0.334 4.504 4.170 -0.001 0.000 0.292 600 I C -1.734 174.427 176.117 0.074 0.000 1.066 600 I CA -1.247 60.143 61.300 0.149 0.000 1.053 600 I CB 1.865 39.939 38.000 0.122 0.000 1.241 600 I HN 0.571 nan 8.210 nan 0.000 0.421 601 L N 8.191 129.442 121.223 0.047 0.000 2.265 601 L HA 0.526 4.865 4.340 -0.001 0.000 0.289 601 L C -1.459 175.405 176.870 -0.010 0.000 1.033 601 L CA -0.107 54.743 54.840 0.017 0.000 0.814 601 L CB 1.117 43.187 42.059 0.018 0.000 1.203 601 L HN 0.509 nan 8.230 nan 0.000 0.423 602 L N 6.263 127.464 121.223 -0.037 0.000 2.261 602 L HA 0.645 4.985 4.340 -0.001 0.000 0.289 602 L C 0.257 177.100 176.870 -0.045 0.000 1.059 602 L CA -0.347 54.453 54.840 -0.067 0.000 0.816 602 L CB 0.871 42.861 42.059 -0.115 0.000 1.191 602 L HN 0.826 nan 8.230 nan 0.000 0.431 603 A N 4.466 127.267 122.820 -0.030 0.000 2.324 603 A HA 0.744 5.063 4.320 -0.001 0.000 0.330 603 A C -0.554 177.022 177.584 -0.012 0.000 1.165 603 A CA -0.756 51.271 52.037 -0.017 0.000 0.813 603 A CB 1.087 20.087 19.000 -0.000 0.000 1.197 603 A HN 0.461 nan 8.150 nan 0.000 0.484 604 K N 2.846 123.237 120.400 -0.016 0.000 2.464 604 K HA 0.467 4.787 4.320 -0.001 0.000 0.252 604 K C -0.835 175.772 176.600 0.011 0.000 1.000 604 K CA 0.178 56.459 56.287 -0.010 0.000 0.951 604 K CB 0.996 33.462 32.500 -0.057 0.000 1.183 604 K HN 0.814 nan 8.250 nan 0.000 0.445 605 M N 0.375 120.000 119.600 0.041 0.000 2.578 605 M HA 0.586 5.066 4.480 -0.001 0.000 0.321 605 M C 0.794 177.145 176.300 0.084 0.000 1.182 605 M CA -0.439 54.895 55.300 0.056 0.000 0.965 605 M CB 1.843 34.471 32.600 0.047 0.000 1.694 605 M HN 0.742 nan 8.290 nan 0.000 0.461 606 G N 1.114 109.967 108.800 0.088 0.000 2.527 606 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.227 606 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.227 606 G C -0.077 174.920 174.900 0.161 0.000 1.291 606 G CA -0.486 44.668 45.100 0.089 0.000 0.904 606 G HN 0.630 nan 8.290 nan 0.000 0.577 607 Q N 0.552 120.443 119.800 0.152 0.000 2.392 607 Q HA 0.122 4.462 4.340 -0.001 0.000 0.203 607 Q C 0.862 177.032 176.000 0.285 0.000 0.917 607 Q CA 0.428 56.366 55.803 0.224 0.000 0.939 607 Q CB 0.027 28.811 28.738 0.076 0.000 1.063 607 Q HN 0.641 nan 8.270 nan 0.000 0.516 608 D N 0.668 121.192 120.400 0.208 0.000 2.662 608 D HA -0.077 4.563 4.640 -0.001 0.000 0.233 608 D C 0.917 177.299 176.300 0.138 0.000 1.129 608 D CA 0.673 54.784 54.000 0.185 0.000 0.851 608 D CB 0.534 41.448 40.800 0.190 0.000 1.152 608 D HN 0.255 nan 8.370 nan 0.000 0.507 609 G N 2.600 111.426 108.800 0.044 0.000 3.159 609 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.232 609 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.232 609 G C 0.158 175.006 174.900 -0.086 0.000 1.116 609 G CA -0.280 44.798 45.100 -0.036 0.000 0.767 609 G HN 0.566 nan 8.290 nan 0.000 0.547 610 H N 1.238 120.334 119.070 0.042 0.000 2.929 610 H HA 0.268 4.824 4.556 -0.001 0.000 0.317 610 H C 0.416 175.750 175.328 0.010 0.000 1.031 610 H CA 0.673 56.745 56.048 0.041 0.000 1.466 610 H CB 1.403 31.202 29.762 0.062 0.000 1.482 610 H HN 0.317 nan 8.280 nan 0.000 0.561 611 D N 1.669 122.130 120.400 0.103 0.000 2.520 611 D HA 0.014 4.654 4.640 -0.001 0.000 0.223 611 D C 1.665 177.984 176.300 0.031 0.000 1.186 611 D CA -0.342 53.683 54.000 0.042 0.000 0.821 611 D CB -0.000 40.800 40.800 -0.000 0.000 1.072 611 D HN 0.383 nan 8.370 nan 0.000 0.518 612 R N 1.075 121.610 120.500 0.057 0.000 2.080 612 R HA -0.070 4.269 4.340 -0.001 0.000 0.236 612 R C 2.165 178.475 176.300 0.017 0.000 1.137 612 R CA 2.107 58.227 56.100 0.034 0.000 0.943 612 R CB -0.668 29.663 30.300 0.052 0.000 0.846 612 R HN 0.248 nan 8.270 nan 0.000 0.431 613 G N 0.266 109.080 108.800 0.024 0.000 2.421 613 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.216 613 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.216 613 G C 1.298 176.152 174.900 -0.076 0.000 1.171 613 G CA 0.717 45.806 45.100 -0.018 0.000 0.775 613 G HN 0.440 nan 8.290 nan 0.000 0.543 614 Q N -0.027 119.735 119.800 -0.063 0.000 2.030 614 Q HA -0.171 4.168 4.340 -0.001 0.000 0.204 614 Q C 2.447 178.380 176.000 -0.113 0.000 0.986 614 Q CA 1.474 57.220 55.803 -0.096 0.000 0.843 614 Q CB -0.096 28.606 28.738 -0.060 0.000 0.904 614 Q HN 0.224 nan 8.270 nan 0.000 0.420 615 K N -0.008 120.348 120.400 -0.074 0.000 2.148 615 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 615 K C 2.004 178.554 176.600 -0.083 0.000 1.050 615 K CA 0.717 56.963 56.287 -0.067 0.000 0.942 615 K CB -0.633 31.845 32.500 -0.036 0.000 0.724 615 K HN 0.172 nan 8.250 nan 0.000 0.446 616 V N 1.585 121.447 119.914 -0.086 0.000 2.591 616 V HA -0.144 3.975 4.120 -0.001 0.000 0.249 616 V C 2.038 178.004 176.094 -0.214 0.000 1.053 616 V CA 0.872 63.112 62.300 -0.099 0.000 1.068 616 V CB -0.178 31.621 31.823 -0.040 0.000 0.689 616 V HN 0.087 nan 8.190 nan 0.000 0.462 617 I N 0.779 121.183 120.570 -0.276 0.000 2.179 617 I HA -0.186 3.983 4.170 -0.001 0.000 0.242 617 I C 2.795 178.657 176.117 -0.425 0.000 1.088 617 I CA 1.920 62.935 61.300 -0.474 0.000 1.357 617 I CB -1.838 35.821 38.000 -0.570 0.000 1.051 617 I HN 0.379 nan 8.210 nan 0.000 0.409 618 A N 0.128 122.788 122.820 -0.267 0.000 1.859 618 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 618 A C 2.540 180.072 177.584 -0.085 0.000 1.198 618 A CA 2.912 54.853 52.037 -0.160 0.000 0.629 618 A CB -1.347 17.591 19.000 -0.103 0.000 0.830 618 A HN 0.398 nan 8.150 nan 0.000 0.446 619 T N -0.756 113.753 114.554 -0.074 0.000 2.746 619 T HA -0.003 4.347 4.350 -0.001 0.000 0.267 619 T C 1.988 176.671 174.700 -0.028 0.000 1.039 619 T CA 1.989 64.074 62.100 -0.025 0.000 1.142 619 T CB -0.443 68.424 68.868 -0.002 0.000 0.866 619 T HN 0.572 nan 8.240 nan 0.000 0.444 620 A N -0.413 122.315 122.820 -0.152 0.000 1.969 620 A HA 0.014 4.334 4.320 -0.001 0.000 0.218 620 A C 2.024 179.600 177.584 -0.013 0.000 1.169 620 A CA 1.196 53.067 52.037 -0.276 0.000 0.635 620 A CB -0.805 17.643 19.000 -0.920 0.000 0.810 620 A HN 0.601 nan 8.150 nan 0.000 0.445 621 Y N -0.271 119.891 120.300 -0.229 0.000 2.337 621 Y HA 0.082 4.632 4.550 -0.001 0.000 0.293 621 Y C 2.828 178.753 175.900 0.042 0.000 1.123 621 Y CA 0.041 58.033 58.100 -0.180 0.000 1.201 621 Y CB -0.809 37.349 38.460 -0.502 0.000 1.011 621 Y HN 0.333 nan 8.280 nan 0.000 0.545 622 A N -0.053 122.862 122.820 0.158 0.000 1.930 622 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 622 A C 1.853 179.504 177.584 0.112 0.000 1.175 622 A CA 1.882 53.997 52.037 0.131 0.000 0.627 622 A CB -0.582 18.467 19.000 0.082 0.000 0.815 622 A HN 0.289 nan 8.150 nan 0.000 0.443 623 D N -0.027 120.436 120.400 0.105 0.000 2.264 623 D HA -0.064 4.576 4.640 -0.001 0.000 0.208 623 D C 1.565 177.928 176.300 0.104 0.000 0.966 623 D CA 0.789 54.854 54.000 0.107 0.000 0.864 623 D CB -0.195 40.693 40.800 0.147 0.000 0.933 623 D HN 0.475 nan 8.370 nan 0.000 0.499 624 L N -1.136 120.154 121.223 0.113 0.000 2.558 624 L HA 0.230 4.570 4.340 -0.001 0.000 0.225 624 L C 1.551 178.441 176.870 0.034 0.000 1.128 624 L CA 0.472 55.361 54.840 0.082 0.000 0.868 624 L CB 0.197 42.305 42.059 0.081 0.000 1.006 624 L HN 0.157 nan 8.230 nan 0.000 0.454 625 G N -0.883 107.950 108.800 0.054 0.000 2.192 625 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.193 625 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.193 625 G C 0.101 174.982 174.900 -0.032 0.000 0.999 625 G CA -0.700 44.387 45.100 -0.022 0.000 0.659 625 G HN 0.078 nan 8.290 nan 0.000 0.503 626 F N 2.031 121.938 119.950 -0.072 0.000 2.450 626 F HA 0.452 4.979 4.527 -0.001 0.000 0.339 626 F C 0.660 176.466 175.800 0.010 0.000 1.146 626 F CA -0.192 57.775 58.000 -0.055 0.000 1.267 626 F CB 0.630 39.599 39.000 -0.051 0.000 1.178 626 F HN -0.106 nan 8.300 nan 0.000 0.585 627 D N 1.983 122.516 120.400 0.221 0.000 2.313 627 D HA 0.292 4.932 4.640 -0.001 0.000 0.239 627 D C -0.746 175.658 176.300 0.174 0.000 1.142 627 D CA 0.114 54.209 54.000 0.158 0.000 0.847 627 D CB 1.491 42.364 40.800 0.122 0.000 1.082 627 D HN 0.048 nan 8.370 nan 0.000 0.480 628 V N 3.781 123.771 119.914 0.126 0.000 2.384 628 V HA 0.204 4.324 4.120 -0.001 0.000 0.287 628 V C 0.090 176.212 176.094 0.047 0.000 1.020 628 V CA -0.825 61.526 62.300 0.086 0.000 0.850 628 V CB 2.038 33.895 31.823 0.057 0.000 0.987 628 V HN 0.363 nan 8.190 nan 0.000 0.436 629 D N 3.448 123.868 120.400 0.033 0.000 2.233 629 D HA 0.376 5.016 4.640 -0.001 0.000 0.240 629 D C -0.605 175.692 176.300 -0.005 0.000 1.074 629 D CA -0.179 53.830 54.000 0.016 0.000 0.838 629 D CB 2.662 43.472 40.800 0.017 0.000 1.124 629 D HN 0.266 nan 8.370 nan 0.000 0.475 630 V N 2.450 122.357 119.914 -0.012 0.000 2.334 630 V HA 0.342 4.462 4.120 -0.001 0.000 0.267 630 V C 1.131 177.208 176.094 -0.028 0.000 1.040 630 V CA -0.747 61.536 62.300 -0.028 0.000 0.866 630 V CB 1.095 32.900 31.823 -0.030 0.000 1.019 630 V HN 0.556 nan 8.190 nan 0.000 0.468 631 G N 6.626 115.407 108.800 -0.032 0.000 2.544 631 G HA2 0.440 4.400 3.960 -0.001 0.000 0.242 631 G HA3 0.440 4.400 3.960 -0.001 0.000 0.242 631 G C -2.357 172.514 174.900 -0.049 0.000 1.247 631 G CA -0.799 44.282 45.100 -0.031 0.000 0.840 631 G HN 0.554 nan 8.290 nan 0.000 0.578 632 P HA 0.193 nan 4.420 nan 0.000 0.274 632 P C 0.306 177.523 177.300 -0.139 0.000 1.237 632 P CA -0.456 62.599 63.100 -0.075 0.000 0.793 632 P CB 0.937 32.611 31.700 -0.043 0.000 0.977 633 L N 0.876 121.935 121.223 -0.274 0.000 2.468 633 L HA 0.141 4.481 4.340 -0.001 0.000 0.253 633 L C 0.666 177.283 176.870 -0.421 0.000 1.237 633 L CA -0.191 54.321 54.840 -0.547 0.000 0.823 633 L CB -0.709 40.635 42.059 -1.193 0.000 1.124 633 L HN 0.329 nan 8.230 nan 0.000 0.504 634 F N -1.368 118.597 119.950 0.024 0.000 3.093 634 F HA -0.246 4.281 4.527 -0.001 0.000 0.287 634 F C 0.587 176.394 175.800 0.012 0.000 0.882 634 F CA 0.205 58.215 58.000 0.017 0.000 1.063 634 F CB -2.609 36.407 39.000 0.027 0.000 1.097 634 F HN 0.508 nan 8.300 nan 0.000 0.604 635 Q N 0.473 120.331 119.800 0.098 0.000 2.327 635 Q HA 0.414 4.753 4.340 -0.001 0.000 0.254 635 Q C 1.061 177.096 176.000 0.058 0.000 0.952 635 Q CA 0.317 56.159 55.803 0.065 0.000 0.884 635 Q CB 1.392 30.148 28.738 0.030 0.000 1.224 635 Q HN 0.440 nan 8.270 nan 0.000 0.422 636 T N -0.980 113.599 114.554 0.043 0.000 2.754 636 T HA 0.174 4.524 4.350 -0.001 0.000 0.286 636 T C -1.928 172.787 174.700 0.025 0.000 0.997 636 T CA -1.602 60.514 62.100 0.027 0.000 0.982 636 T CB 0.429 69.306 68.868 0.014 0.000 1.027 636 T HN 0.319 nan 8.240 nan 0.000 0.529 637 P HA 0.006 nan 4.420 nan 0.000 0.223 637 P C 1.279 178.589 177.300 0.018 0.000 1.151 637 P CA 0.765 63.877 63.100 0.020 0.000 0.787 637 P CB 0.089 31.801 31.700 0.019 0.000 0.788 638 E N 0.119 120.329 120.200 0.015 0.000 2.112 638 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 638 E C 1.735 178.344 176.600 0.015 0.000 0.979 638 E CA 0.653 57.062 56.400 0.014 0.000 0.814 638 E CB -0.039 29.667 29.700 0.011 0.000 0.762 638 E HN 0.204 nan 8.360 nan 0.000 0.460 639 E N -0.366 119.845 120.200 0.018 0.000 2.072 639 E HA -0.125 4.225 4.350 -0.001 0.000 0.191 639 E C 1.942 178.552 176.600 0.017 0.000 0.985 639 E CA 1.698 58.110 56.400 0.019 0.000 0.801 639 E CB 0.125 29.840 29.700 0.025 0.000 0.750 639 E HN 0.189 nan 8.360 nan 0.000 0.452 640 T N 0.593 115.158 114.554 0.018 0.000 2.821 640 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 640 T C 1.924 176.634 174.700 0.016 0.000 1.046 640 T CA 1.057 63.166 62.100 0.016 0.000 1.139 640 T CB -0.208 68.671 68.868 0.018 0.000 0.871 640 T HN 0.232 nan 8.240 nan 0.000 0.454 641 A N 1.886 124.716 122.820 0.017 0.000 1.858 641 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 641 A C 2.291 179.884 177.584 0.014 0.000 1.190 641 A CA 1.968 54.015 52.037 0.016 0.000 0.617 641 A CB -0.650 18.359 19.000 0.016 0.000 0.827 641 A HN 0.428 nan 8.150 nan 0.000 0.443 642 R N -0.550 119.958 120.500 0.013 0.000 2.080 642 R HA -0.232 4.108 4.340 -0.001 0.000 0.236 642 R C 2.485 178.791 176.300 0.010 0.000 1.137 642 R CA 2.090 58.196 56.100 0.011 0.000 0.943 642 R CB -0.407 29.900 30.300 0.011 0.000 0.846 642 R HN 0.709 nan 8.270 nan 0.000 0.431 643 Q N -0.357 119.449 119.800 0.010 0.000 2.084 643 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 643 Q C 1.912 177.917 176.000 0.009 0.000 0.978 643 Q CA 1.825 57.633 55.803 0.009 0.000 0.844 643 Q CB -0.174 28.569 28.738 0.008 0.000 0.898 643 Q HN 0.491 nan 8.270 nan 0.000 0.426 644 A N -0.002 122.825 122.820 0.012 0.000 1.851 644 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 644 A C 2.236 179.824 177.584 0.007 0.000 1.195 644 A CA 1.805 53.850 52.037 0.013 0.000 0.622 644 A CB -1.094 17.918 19.000 0.019 0.000 0.831 644 A HN 0.310 nan 8.150 nan 0.000 0.444 645 V N 0.077 119.996 119.914 0.007 0.000 2.287 645 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 645 V C 2.387 178.481 176.094 -0.000 0.000 1.053 645 V CA 2.403 64.705 62.300 0.003 0.000 1.027 645 V CB -0.919 30.908 31.823 0.007 0.000 0.646 645 V HN 0.655 nan 8.190 nan 0.000 0.447 646 E N -0.478 119.724 120.200 0.002 0.000 2.333 646 E HA -0.125 4.225 4.350 -0.001 0.000 0.198 646 E C 1.907 178.507 176.600 -0.001 0.000 1.007 646 E CA 0.983 57.384 56.400 0.001 0.000 0.845 646 E CB -0.126 29.576 29.700 0.004 0.000 0.766 646 E HN 0.625 nan 8.360 nan 0.000 0.507 647 A N 0.468 123.287 122.820 -0.001 0.000 2.343 647 A HA 0.049 4.369 4.320 -0.001 0.000 0.223 647 A C 0.297 177.872 177.584 -0.015 0.000 1.214 647 A CA 0.169 52.205 52.037 -0.002 0.000 0.900 647 A CB 0.462 19.465 19.000 0.005 0.000 0.942 647 A HN 0.206 nan 8.150 nan 0.000 0.507 648 D N -0.127 120.259 120.400 -0.023 0.000 2.746 648 D HA -0.127 4.513 4.640 -0.001 0.000 0.241 648 D C 0.211 176.455 176.300 -0.093 0.000 1.140 648 D CA 0.831 54.800 54.000 -0.051 0.000 0.707 648 D CB -1.806 38.961 40.800 -0.055 0.000 1.034 648 D HN 0.855 nan 8.370 nan 0.000 0.423 649 V N -1.333 118.550 119.914 -0.052 0.000 3.133 649 V HA 0.405 4.524 4.120 -0.001 0.000 0.305 649 V C 1.579 177.629 176.094 -0.074 0.000 1.084 649 V CA 0.149 62.425 62.300 -0.040 0.000 1.089 649 V CB 1.216 33.060 31.823 0.037 0.000 1.073 649 V HN 0.291 nan 8.190 nan 0.000 0.477 650 H N 1.150 120.286 119.070 0.110 0.000 2.465 650 H HA 0.517 5.073 4.556 -0.001 0.000 0.289 650 H C 0.487 175.880 175.328 0.107 0.000 1.022 650 H CA 1.292 57.417 56.048 0.128 0.000 1.340 650 H CB 0.830 30.703 29.762 0.186 0.000 1.437 650 H HN 0.515 nan 8.280 nan 0.000 0.539 651 V N 0.438 120.483 119.914 0.219 0.000 3.012 651 V HA 0.383 4.503 4.120 -0.001 0.000 0.307 651 V C -1.446 174.710 176.094 0.104 0.000 1.166 651 V CA -0.968 61.423 62.300 0.152 0.000 0.974 651 V CB 2.375 34.297 31.823 0.165 0.000 1.040 651 V HN -0.127 nan 8.190 nan 0.000 0.428 652 V N 5.315 125.273 119.914 0.073 0.000 2.328 652 V HA 0.605 4.725 4.120 -0.001 0.000 0.278 652 V C 0.889 177.006 176.094 0.038 0.000 1.021 652 V CA 0.228 62.556 62.300 0.047 0.000 0.838 652 V CB 1.266 33.110 31.823 0.036 0.000 0.999 652 V HN 1.081 nan 8.190 nan 0.000 0.447 653 G N 4.569 113.378 108.800 0.016 0.000 2.546 653 G HA2 0.445 4.405 3.960 -0.001 0.000 0.320 653 G HA3 0.445 4.405 3.960 -0.001 0.000 0.320 653 G C -0.302 174.589 174.900 -0.015 0.000 0.984 653 G CA -0.236 44.862 45.100 -0.002 0.000 1.183 653 G HN 0.517 nan 8.290 nan 0.000 0.443 654 V N 1.924 121.842 119.914 0.008 0.000 2.555 654 V HA 0.283 4.402 4.120 -0.001 0.000 0.286 654 V C 0.748 176.842 176.094 0.000 0.000 1.044 654 V CA 0.001 62.306 62.300 0.008 0.000 1.026 654 V CB 1.554 33.391 31.823 0.023 0.000 0.981 654 V HN 0.607 nan 8.190 nan 0.000 0.480 655 S N 3.941 119.639 115.700 -0.005 0.000 2.532 655 S HA 0.477 4.946 4.470 -0.001 0.000 0.318 655 S C -0.208 174.405 174.600 0.022 0.000 1.083 655 S CA -0.429 57.767 58.200 -0.007 0.000 1.131 655 S CB 0.627 63.809 63.200 -0.029 0.000 0.973 655 S HN 0.954 nan 8.310 nan 0.000 0.468 656 S N 5.163 120.878 115.700 0.025 0.000 2.659 656 S HA 0.619 5.088 4.470 -0.001 0.000 0.312 656 S C -0.271 174.352 174.600 0.039 0.000 1.114 656 S CA -0.671 57.566 58.200 0.062 0.000 1.063 656 S CB 1.013 64.275 63.200 0.103 0.000 0.996 656 S HN 0.602 nan 8.310 nan 0.000 0.478 657 L N 3.830 125.083 121.223 0.050 0.000 2.966 657 L HA 0.523 4.863 4.340 -0.001 0.000 0.262 657 L C 1.855 178.749 176.870 0.040 0.000 1.165 657 L CA 0.557 55.357 54.840 -0.067 0.000 0.978 657 L CB 0.340 42.166 42.059 -0.388 0.000 1.337 657 L HN 0.838 nan 8.230 nan 0.000 0.563 658 A N -0.513 122.428 122.820 0.201 0.000 2.345 658 A HA 0.547 4.866 4.320 -0.001 0.000 0.225 658 A C 1.700 179.399 177.584 0.192 0.000 1.243 658 A CA 0.559 52.746 52.037 0.251 0.000 0.875 658 A CB -0.430 18.725 19.000 0.258 0.000 0.929 658 A HN 0.437 nan 8.150 nan 0.000 0.502 659 G N -1.879 107.041 108.800 0.200 0.000 2.157 659 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.248 659 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.248 659 G C 0.952 175.901 174.900 0.082 0.000 0.979 659 G CA 0.257 45.467 45.100 0.185 0.000 0.650 659 G HN 1.379 nan 8.290 nan 0.000 0.529 660 G N 0.204 109.066 108.800 0.104 0.000 3.434 660 G HA2 0.410 4.370 3.960 -0.001 0.000 0.258 660 G HA3 0.410 4.370 3.960 -0.001 0.000 0.258 660 G C 1.197 176.095 174.900 -0.002 0.000 1.128 660 G CA 0.966 46.075 45.100 0.014 0.000 0.792 660 G HN 0.784 nan 8.290 nan 0.000 0.539 661 H N 0.667 119.765 119.070 0.046 0.000 2.289 661 H HA -0.082 4.474 4.556 -0.001 0.000 0.296 661 H C 2.186 177.535 175.328 0.035 0.000 1.091 661 H CA 0.805 56.877 56.048 0.041 0.000 1.274 661 H CB -0.830 28.959 29.762 0.046 0.000 1.364 661 H HN 0.295 nan 8.280 nan 0.000 0.490 662 L N 1.315 122.393 121.223 -0.242 0.000 2.189 662 L HA -0.159 4.181 4.340 -0.001 0.000 0.214 662 L C 2.724 179.566 176.870 -0.047 0.000 1.097 662 L CA 2.028 56.801 54.840 -0.112 0.000 0.764 662 L CB -0.644 41.306 42.059 -0.182 0.000 0.900 662 L HN 0.556 nan 8.230 nan 0.000 0.436 663 T N -3.987 110.541 114.554 -0.044 0.000 3.039 663 T HA 0.061 4.410 4.350 -0.001 0.000 0.250 663 T C 1.807 176.509 174.700 0.004 0.000 1.052 663 T CA 0.063 62.153 62.100 -0.017 0.000 1.125 663 T CB -0.188 68.668 68.868 -0.021 0.000 0.908 663 T HN 0.160 nan 8.240 nan 0.000 0.473 664 L N 0.962 122.196 121.223 0.017 0.000 2.072 664 L HA 0.055 4.395 4.340 -0.001 0.000 0.205 664 L C 2.857 179.751 176.870 0.041 0.000 1.079 664 L CA 0.641 55.501 54.840 0.034 0.000 0.752 664 L CB -0.522 41.568 42.059 0.051 0.000 0.906 664 L HN 0.133 nan 8.230 nan 0.000 0.436 665 V N 0.246 120.192 119.914 0.054 0.000 2.427 665 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 665 V C -0.280 175.835 176.094 0.036 0.000 1.051 665 V CA 1.701 64.031 62.300 0.050 0.000 1.048 665 V CB -1.583 30.280 31.823 0.067 0.000 0.666 665 V HN 0.352 nan 8.190 nan 0.000 0.456 666 P HA -0.117 nan 4.420 nan 0.000 0.215 666 P C 1.743 179.055 177.300 0.019 0.000 1.157 666 P CA 2.136 65.249 63.100 0.023 0.000 0.863 666 P CB -0.166 31.545 31.700 0.018 0.000 0.787 667 A N 0.498 123.328 122.820 0.018 0.000 1.892 667 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 667 A C 2.377 179.971 177.584 0.018 0.000 1.188 667 A CA 1.638 53.684 52.037 0.015 0.000 0.631 667 A CB -1.772 17.236 19.000 0.013 0.000 0.822 667 A HN 0.149 nan 8.150 nan 0.000 0.447 668 L N -1.153 120.083 121.223 0.022 0.000 2.012 668 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 668 L C 2.769 179.653 176.870 0.022 0.000 1.073 668 L CA 2.451 57.305 54.840 0.023 0.000 0.748 668 L CB -0.428 41.647 42.059 0.027 0.000 0.891 668 L HN 0.463 nan 8.230 nan 0.000 0.431 669 R N 0.661 121.174 120.500 0.023 0.000 2.094 669 R HA -0.222 4.118 4.340 -0.001 0.000 0.239 669 R C 2.213 178.524 176.300 0.019 0.000 1.137 669 R CA 2.015 58.128 56.100 0.022 0.000 0.943 669 R CB -0.320 29.993 30.300 0.021 0.000 0.850 669 R HN 0.308 nan 8.270 nan 0.000 0.433 670 K N -0.050 120.361 120.400 0.017 0.000 2.097 670 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 670 K C 2.030 178.638 176.600 0.014 0.000 1.049 670 K CA 1.411 57.706 56.287 0.014 0.000 0.933 670 K CB -0.050 32.458 32.500 0.012 0.000 0.717 670 K HN 0.160 nan 8.250 nan 0.000 0.442 671 E N 0.998 121.206 120.200 0.014 0.000 2.077 671 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 671 E C 2.122 178.731 176.600 0.015 0.000 0.989 671 E CA 1.008 57.416 56.400 0.014 0.000 0.800 671 E CB -0.188 29.520 29.700 0.014 0.000 0.746 671 E HN 0.286 nan 8.360 nan 0.000 0.452 672 L N 1.158 122.391 121.223 0.017 0.000 2.017 672 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 672 L C 2.139 179.019 176.870 0.017 0.000 1.073 672 L CA 1.310 56.161 54.840 0.019 0.000 0.745 672 L CB -0.403 41.669 42.059 0.023 0.000 0.894 672 L HN 0.009 nan 8.230 nan 0.000 0.432 673 D N 0.049 120.460 120.400 0.017 0.000 2.116 673 D HA -0.252 4.387 4.640 -0.001 0.000 0.193 673 D C 2.086 178.394 176.300 0.013 0.000 0.998 673 D CA 1.336 55.346 54.000 0.016 0.000 0.836 673 D CB -0.146 40.664 40.800 0.015 0.000 0.951 673 D HN 0.159 nan 8.370 nan 0.000 0.449 674 K N 0.145 120.552 120.400 0.012 0.000 2.160 674 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 674 K C 1.767 178.373 176.600 0.010 0.000 1.047 674 K CA 0.738 57.032 56.287 0.010 0.000 0.930 674 K CB -0.092 32.414 32.500 0.010 0.000 0.720 674 K HN 0.146 nan 8.250 nan 0.000 0.450 675 L N -0.474 120.755 121.223 0.011 0.000 2.599 675 L HA 0.096 4.436 4.340 -0.001 0.000 0.230 675 L C 0.977 177.853 176.870 0.010 0.000 1.141 675 L CA 0.550 55.396 54.840 0.010 0.000 0.877 675 L CB 0.094 42.159 42.059 0.010 0.000 1.009 675 L HN 0.626 nan 8.230 nan 0.000 0.447 676 G N 0.386 109.192 108.800 0.011 0.000 2.157 676 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.239 676 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.239 676 G C 0.098 175.006 174.900 0.013 0.000 0.982 676 G CA -0.452 44.654 45.100 0.011 0.000 0.650 676 G HN 0.199 nan 8.290 nan 0.000 0.527 677 R N 0.057 120.566 120.500 0.015 0.000 2.415 677 R HA 0.397 4.737 4.340 -0.001 0.000 0.292 677 R C -2.153 174.161 176.300 0.024 0.000 1.295 677 R CA -1.785 54.327 56.100 0.019 0.000 1.137 677 R CB 1.789 32.099 30.300 0.018 0.000 1.135 677 R HN 0.223 nan 8.270 nan 0.000 0.560 678 P HA 0.033 nan 4.420 nan 0.000 0.261 678 P C 0.287 177.609 177.300 0.036 0.000 1.268 678 P CA 0.303 63.420 63.100 0.028 0.000 0.833 678 P CB 0.529 32.243 31.700 0.023 0.000 1.231 679 D N 0.209 120.634 120.400 0.042 0.000 2.213 679 D HA -0.040 4.600 4.640 -0.001 0.000 0.205 679 D C 0.835 177.179 176.300 0.075 0.000 0.961 679 D CA 0.126 54.160 54.000 0.056 0.000 0.853 679 D CB -0.509 40.323 40.800 0.054 0.000 0.967 679 D HN 0.187 nan 8.370 nan 0.000 0.496 680 I N 2.286 122.895 120.570 0.064 0.000 2.578 680 I HA 0.001 4.170 4.170 -0.001 0.000 0.286 680 I C 0.806 176.968 176.117 0.075 0.000 1.126 680 I CA -0.181 61.164 61.300 0.077 0.000 1.380 680 I CB 0.536 38.569 38.000 0.054 0.000 1.408 680 I HN -0.082 nan 8.210 nan 0.000 0.532 681 L N 7.246 128.527 121.223 0.096 0.000 2.475 681 L HA 0.444 4.784 4.340 -0.001 0.000 0.253 681 L C -0.075 176.836 176.870 0.067 0.000 1.198 681 L CA -0.507 54.380 54.840 0.078 0.000 0.814 681 L CB 0.703 42.815 42.059 0.089 0.000 1.134 681 L HN 0.463 nan 8.230 nan 0.000 0.478 682 I N 0.137 120.736 120.570 0.049 0.000 2.498 682 I HA 0.295 4.465 4.170 -0.001 0.000 0.290 682 I C -0.219 175.914 176.117 0.027 0.000 1.032 682 I CA -0.304 61.019 61.300 0.039 0.000 1.073 682 I CB 2.168 40.184 38.000 0.027 0.000 1.251 682 I HN 0.601 nan 8.210 nan 0.000 0.426 683 T N 2.818 117.395 114.554 0.039 0.000 2.912 683 T HA 0.802 5.151 4.350 -0.001 0.000 0.288 683 T C -0.564 174.139 174.700 0.005 0.000 1.030 683 T CA -0.798 61.315 62.100 0.022 0.000 1.020 683 T CB 2.027 70.984 68.868 0.148 0.000 1.056 683 T HN 0.195 nan 8.240 nan 0.000 0.480 684 V N 1.191 121.068 119.914 -0.062 0.000 2.540 684 V HA 0.858 4.978 4.120 -0.001 0.000 0.302 684 V C 0.577 176.647 176.094 -0.040 0.000 1.035 684 V CA -0.586 61.688 62.300 -0.044 0.000 0.873 684 V CB 1.478 33.266 31.823 -0.058 0.000 0.992 684 V HN 1.328 nan 8.190 nan 0.000 0.428 685 G N 1.284 110.093 108.800 0.015 0.000 2.605 685 G HA2 0.894 4.854 3.960 -0.001 0.000 0.296 685 G HA3 0.894 4.854 3.960 -0.001 0.000 0.296 685 G C -0.179 174.714 174.900 -0.010 0.000 1.304 685 G CA -0.069 45.057 45.100 0.042 0.000 0.941 685 G HN 1.455 nan 8.290 nan 0.000 0.475 686 G N -1.761 107.033 108.800 -0.010 0.000 2.265 686 G HA2 0.225 4.185 3.960 -0.001 0.000 0.246 686 G HA3 0.225 4.185 3.960 -0.001 0.000 0.246 686 G C -1.071 173.808 174.900 -0.034 0.000 1.299 686 G CA -0.066 45.016 45.100 -0.030 0.000 1.117 686 G HN 1.385 nan 8.290 nan 0.000 0.485 687 V N 1.371 121.253 119.914 -0.053 0.000 2.313 687 V HA 0.503 4.623 4.120 -0.001 0.000 0.252 687 V C 0.145 176.199 176.094 -0.066 0.000 1.112 687 V CA 0.261 62.539 62.300 -0.037 0.000 0.984 687 V CB -0.188 31.611 31.823 -0.040 0.000 1.157 687 V HN 0.483 nan 8.190 nan 0.000 0.493 688 I N 7.264 127.798 120.570 -0.061 0.000 2.476 688 I HA 0.379 4.549 4.170 -0.001 0.000 0.281 688 I C -2.358 173.795 176.117 0.059 0.000 1.040 688 I CA -2.022 59.204 61.300 -0.124 0.000 1.094 688 I CB 2.321 40.255 38.000 -0.111 0.000 1.219 688 I HN 0.374 nan 8.210 nan 0.000 0.450 689 P HA -0.033 nan 4.420 nan 0.000 0.267 689 P C 0.850 177.932 177.300 -0.364 0.000 1.200 689 P CA 0.114 63.156 63.100 -0.096 0.000 0.772 689 P CB 0.879 32.555 31.700 -0.040 0.000 0.855 690 E N 1.318 121.126 120.200 -0.654 0.000 2.204 690 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 690 E C 1.648 177.745 176.600 -0.838 0.000 0.990 690 E CA 1.431 57.035 56.400 -1.328 0.000 0.821 690 E CB -0.769 28.497 29.700 -0.723 0.000 0.750 690 E HN 0.511 nan 8.360 nan 0.000 0.477 691 Q N 0.283 119.858 119.800 -0.374 0.000 2.291 691 Q HA -0.086 4.254 4.340 -0.001 0.000 0.206 691 Q C 1.444 177.404 176.000 -0.066 0.000 0.976 691 Q CA 1.638 57.340 55.803 -0.169 0.000 0.875 691 Q CB -0.031 28.646 28.738 -0.103 0.000 0.927 691 Q HN 0.390 nan 8.270 nan 0.000 0.450 692 D N -1.253 119.142 120.400 -0.008 0.000 2.349 692 D HA 0.029 4.669 4.640 -0.001 0.000 0.214 692 D C 0.465 176.922 176.300 0.262 0.000 1.063 692 D CA 0.123 54.212 54.000 0.149 0.000 0.847 692 D CB 0.145 41.130 40.800 0.308 0.000 0.933 692 D HN 0.129 nan 8.370 nan 0.000 0.513 693 F N 1.091 121.053 119.950 0.020 0.000 2.259 693 F HA -0.013 4.514 4.527 -0.001 0.000 0.298 693 F C 1.823 177.622 175.800 -0.002 0.000 1.088 693 F CA 0.482 58.479 58.000 -0.004 0.000 1.358 693 F CB -0.550 38.437 39.000 -0.021 0.000 1.040 693 F HN -0.080 nan 8.300 nan 0.000 0.505 694 D N -0.074 120.442 120.400 0.193 0.000 2.123 694 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 694 D C 2.203 178.550 176.300 0.077 0.000 0.976 694 D CA 1.103 55.166 54.000 0.105 0.000 0.831 694 D CB -0.306 40.535 40.800 0.069 0.000 0.974 694 D HN 0.307 nan 8.370 nan 0.000 0.469 695 E N 0.105 120.354 120.200 0.082 0.000 2.077 695 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 695 E C 2.167 178.810 176.600 0.071 0.000 0.989 695 E CA 0.498 56.938 56.400 0.067 0.000 0.800 695 E CB -0.032 29.708 29.700 0.066 0.000 0.746 695 E HN 0.206 nan 8.360 nan 0.000 0.452 696 L N 0.093 121.375 121.223 0.099 0.000 2.083 696 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 696 L C 2.755 179.642 176.870 0.029 0.000 1.083 696 L CA 1.116 56.001 54.840 0.075 0.000 0.752 696 L CB -0.299 41.810 42.059 0.083 0.000 0.899 696 L HN 0.076 nan 8.230 nan 0.000 0.433 697 R N -0.008 120.504 120.500 0.019 0.000 2.115 697 R HA -0.100 4.240 4.340 -0.001 0.000 0.230 697 R C 2.122 178.426 176.300 0.008 0.000 1.111 697 R CA 0.925 57.023 56.100 -0.003 0.000 0.976 697 R CB 0.058 30.356 30.300 -0.004 0.000 0.870 697 R HN 0.292 nan 8.270 nan 0.000 0.445 698 K N -0.048 120.364 120.400 0.020 0.000 2.365 698 K HA -0.030 4.290 4.320 -0.001 0.000 0.197 698 K C 0.627 177.238 176.600 0.019 0.000 1.042 698 K CA 0.666 56.964 56.287 0.019 0.000 0.987 698 K CB 0.292 32.804 32.500 0.021 0.000 0.779 698 K HN 0.115 nan 8.250 nan 0.000 0.484 699 D N -0.081 120.333 120.400 0.023 0.000 2.347 699 D HA 0.007 4.647 4.640 -0.001 0.000 0.213 699 D C 1.269 177.581 176.300 0.020 0.000 0.985 699 D CA 0.935 54.950 54.000 0.024 0.000 0.879 699 D CB 0.742 41.563 40.800 0.035 0.000 0.919 699 D HN 0.445 nan 8.370 nan 0.000 0.526 700 G N -0.240 108.569 108.800 0.014 0.000 2.421 700 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.188 700 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.188 700 G C 0.504 175.405 174.900 0.002 0.000 1.001 700 G CA -0.014 45.093 45.100 0.012 0.000 0.693 700 G HN 0.473 nan 8.290 nan 0.000 0.479 701 A N 1.267 124.081 122.820 -0.010 0.000 2.537 701 A HA 0.552 4.871 4.320 -0.001 0.000 0.260 701 A C 1.809 179.358 177.584 -0.059 0.000 1.082 701 A CA 0.927 52.939 52.037 -0.042 0.000 0.765 701 A CB 0.379 19.336 19.000 -0.072 0.000 1.019 701 A HN 1.621 nan 8.150 nan 0.000 0.507 702 V N -0.189 119.694 119.914 -0.053 0.000 2.878 702 V HA 0.180 4.299 4.120 -0.001 0.000 0.250 702 V C 0.458 176.483 176.094 -0.114 0.000 1.075 702 V CA 0.957 63.226 62.300 -0.052 0.000 1.096 702 V CB -0.539 31.279 31.823 -0.007 0.000 0.724 702 V HN 0.706 nan 8.190 nan 0.000 0.467 703 E N 0.197 120.278 120.200 -0.199 0.000 2.314 703 E HA 0.635 4.984 4.350 -0.001 0.000 0.272 703 E C -1.530 174.696 176.600 -0.623 0.000 0.884 703 E CA -0.575 55.574 56.400 -0.418 0.000 0.753 703 E CB 3.054 32.455 29.700 -0.498 0.000 1.213 703 E HN 0.337 nan 8.360 nan 0.000 0.432 704 I N 2.392 122.518 120.570 -0.741 0.000 2.410 704 I HA 0.266 4.436 4.170 -0.001 0.000 0.286 704 I C -1.233 174.448 176.117 -0.727 0.000 1.009 704 I CA -0.719 60.161 61.300 -0.700 0.000 1.111 704 I CB 0.756 38.275 38.000 -0.802 0.000 1.262 704 I HN 0.335 nan 8.210 nan 0.000 0.443 705 Y N 4.318 124.505 120.300 -0.188 0.000 2.345 705 Y HA 0.490 5.039 4.550 -0.001 0.000 0.331 705 Y C 0.744 176.590 175.900 -0.091 0.000 0.959 705 Y CA -1.035 56.992 58.100 -0.121 0.000 1.204 705 Y CB 1.439 39.846 38.460 -0.089 0.000 1.135 705 Y HN 0.534 nan 8.280 nan 0.000 0.477 706 T N 0.286 114.887 114.554 0.079 0.000 2.910 706 T HA 0.568 4.918 4.350 -0.001 0.000 0.279 706 T C -2.764 171.975 174.700 0.064 0.000 0.989 706 T CA -2.778 59.368 62.100 0.077 0.000 0.968 706 T CB 1.220 70.173 68.868 0.142 0.000 1.135 706 T HN 0.148 nan 8.240 nan 0.000 0.562 707 P HA 0.266 nan 4.420 nan 0.000 0.264 707 P C 1.078 178.386 177.300 0.012 0.000 1.183 707 P CA 1.140 64.247 63.100 0.012 0.000 0.763 707 P CB -0.003 31.690 31.700 -0.011 0.000 0.807 708 G N 1.397 110.197 108.800 -0.000 0.000 2.194 708 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.236 708 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.236 708 G C 0.319 175.234 174.900 0.026 0.000 0.987 708 G CA 0.019 45.120 45.100 0.003 0.000 0.635 708 G HN 0.634 nan 8.290 nan 0.000 0.520 709 T N 1.738 116.313 114.554 0.036 0.000 2.866 709 T HA 0.362 4.711 4.350 -0.001 0.000 0.293 709 T C 0.843 175.555 174.700 0.021 0.000 1.005 709 T CA 0.389 62.512 62.100 0.038 0.000 1.162 709 T CB 1.597 70.480 68.868 0.025 0.000 0.968 709 T HN 0.535 nan 8.240 nan 0.000 0.530 710 V N 6.369 126.303 119.914 0.032 0.000 2.488 710 V HA 0.116 4.235 4.120 -0.001 0.000 0.277 710 V C 1.828 177.937 176.094 0.025 0.000 1.046 710 V CA -0.226 62.103 62.300 0.048 0.000 0.986 710 V CB 0.539 32.397 31.823 0.057 0.000 0.989 710 V HN 0.840 nan 8.190 nan 0.000 0.475 711 I N 6.426 127.015 120.570 0.032 0.000 2.118 711 I HA -0.144 4.026 4.170 -0.001 0.000 0.241 711 I C -0.161 175.978 176.117 0.037 0.000 1.070 711 I CA 1.685 62.971 61.300 -0.023 0.000 1.327 711 I CB -1.290 36.605 38.000 -0.175 0.000 1.034 711 I HN 0.569 nan 8.210 nan 0.000 0.405 712 P HA -0.166 nan 4.420 nan 0.000 0.218 712 P C 1.254 178.573 177.300 0.032 0.000 1.148 712 P CA 1.591 64.727 63.100 0.059 0.000 0.822 712 P CB -0.119 31.642 31.700 0.101 0.000 0.784 713 E N 0.431 120.653 120.200 0.036 0.000 2.077 713 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 713 E C 2.341 178.959 176.600 0.030 0.000 0.989 713 E CA 1.801 58.223 56.400 0.036 0.000 0.800 713 E CB -0.424 29.305 29.700 0.047 0.000 0.746 713 E HN 0.372 nan 8.360 nan 0.000 0.452 714 S N 1.195 116.879 115.700 -0.028 0.000 2.383 714 S HA -0.087 4.383 4.470 -0.001 0.000 0.227 714 S C 2.294 176.866 174.600 -0.048 0.000 1.026 714 S CA 0.825 58.947 58.200 -0.130 0.000 0.981 714 S CB -0.240 62.596 63.200 -0.606 0.000 0.818 714 S HN 0.280 nan 8.310 nan 0.000 0.472 715 A N 2.521 125.307 122.820 -0.055 0.000 1.873 715 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 715 A C 2.240 179.820 177.584 -0.007 0.000 1.193 715 A CA 1.777 53.727 52.037 -0.144 0.000 0.629 715 A CB -1.111 17.722 19.000 -0.278 0.000 0.826 715 A HN 0.586 nan 8.150 nan 0.000 0.447 716 I N 0.657 121.227 120.570 0.001 0.000 2.113 716 I HA -0.333 3.837 4.170 -0.001 0.000 0.242 716 I C 2.906 179.049 176.117 0.043 0.000 1.064 716 I CA 2.037 63.346 61.300 0.016 0.000 1.320 716 I CB -0.360 37.653 38.000 0.021 0.000 1.028 716 I HN 0.551 nan 8.210 nan 0.000 0.406 717 S N 0.644 116.390 115.700 0.077 0.000 2.428 717 S HA -0.111 4.358 4.470 -0.001 0.000 0.230 717 S C 1.912 176.589 174.600 0.128 0.000 1.014 717 S CA 0.600 58.863 58.200 0.105 0.000 0.957 717 S CB -0.544 62.738 63.200 0.136 0.000 0.784 717 S HN 0.379 nan 8.310 nan 0.000 0.499 718 L N 1.763 123.079 121.223 0.155 0.000 2.109 718 L HA 0.162 4.502 4.340 -0.001 0.000 0.207 718 L C 2.389 179.313 176.870 0.091 0.000 1.086 718 L CA 1.271 56.210 54.840 0.165 0.000 0.760 718 L CB -0.664 41.517 42.059 0.204 0.000 0.910 718 L HN 0.197 nan 8.230 nan 0.000 0.437 719 V N -0.075 119.861 119.914 0.037 0.000 2.307 719 V HA -0.292 3.828 4.120 -0.001 0.000 0.245 719 V C 2.586 178.702 176.094 0.037 0.000 1.045 719 V CA 2.061 64.321 62.300 -0.067 0.000 1.024 719 V CB -0.626 31.093 31.823 -0.174 0.000 0.651 719 V HN 0.453 nan 8.190 nan 0.000 0.449 720 K N -0.114 120.316 120.400 0.050 0.000 2.044 720 K HA -0.269 4.051 4.320 -0.001 0.000 0.210 720 K C 2.283 178.925 176.600 0.070 0.000 1.049 720 K CA 1.729 58.053 56.287 0.060 0.000 0.927 720 K CB -0.255 32.274 32.500 0.049 0.000 0.713 720 K HN 0.175 nan 8.250 nan 0.000 0.443 721 K N 1.148 121.591 120.400 0.073 0.000 2.057 721 K HA -0.055 4.265 4.320 -0.001 0.000 0.207 721 K C 1.882 178.536 176.600 0.090 0.000 1.049 721 K CA 1.110 57.440 56.287 0.072 0.000 0.931 721 K CB -0.232 32.311 32.500 0.072 0.000 0.714 721 K HN 0.061 nan 8.250 nan 0.000 0.440 722 L N 0.220 121.511 121.223 0.113 0.000 2.017 722 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 722 L C 2.434 179.426 176.870 0.202 0.000 1.073 722 L CA 1.167 56.108 54.840 0.169 0.000 0.745 722 L CB -0.389 41.766 42.059 0.159 0.000 0.894 722 L HN 0.158 nan 8.230 nan 0.000 0.432 723 R N 0.266 120.889 120.500 0.204 0.000 2.097 723 R HA -0.192 4.148 4.340 -0.001 0.000 0.236 723 R C 2.289 178.622 176.300 0.054 0.000 1.135 723 R CA 1.781 57.948 56.100 0.113 0.000 0.934 723 R CB -1.208 29.150 30.300 0.096 0.000 0.846 723 R HN 0.387 nan 8.270 nan 0.000 0.431 724 A N 0.750 123.602 122.820 0.055 0.000 1.908 724 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 724 A C 2.435 180.042 177.584 0.038 0.000 1.181 724 A CA 2.244 54.303 52.037 0.038 0.000 0.627 724 A CB -0.657 18.365 19.000 0.037 0.000 0.818 724 A HN 0.454 nan 8.150 nan 0.000 0.445 725 S N -0.431 115.301 115.700 0.053 0.000 2.345 725 S HA -0.093 4.376 4.470 -0.001 0.000 0.220 725 S C 1.953 176.581 174.600 0.047 0.000 1.031 725 S CA 1.492 59.724 58.200 0.053 0.000 0.996 725 S CB -0.498 62.745 63.200 0.071 0.000 0.882 725 S HN 0.462 nan 8.310 nan 0.000 0.445 726 L N 0.788 122.042 121.223 0.052 0.000 2.156 726 L HA 0.034 4.373 4.340 -0.001 0.000 0.208 726 L C 1.020 177.889 176.870 -0.001 0.000 1.095 726 L CA 1.068 55.928 54.840 0.032 0.000 0.770 726 L CB -0.310 41.760 42.059 0.018 0.000 0.914 726 L HN 0.281 nan 8.230 nan 0.000 0.439 727 D N 0.043 120.438 120.400 -0.009 0.000 2.427 727 D HA 0.274 4.913 4.640 -0.001 0.000 0.224 727 D C 0.487 176.783 176.300 -0.005 0.000 1.157 727 D CA 0.143 54.131 54.000 -0.019 0.000 0.828 727 D CB 0.324 41.105 40.800 -0.032 0.000 0.974 727 D HN 0.175 nan 8.370 nan 0.000 0.498 728 A N 0.000 122.823 122.820 0.004 0.000 2.254 728 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 728 A CA 0.000 52.041 52.037 0.007 0.000 0.836 728 A CB 0.000 19.008 19.000 0.013 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486