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 3dla_1_C DATA FIRST_RESID 0 DATA SEQUENCE SMNFYSAYQH GFVRVAACTH HTTIGDPAAN AASVLDMARA CHDDGAALAV DATA SEQUENCE FPELTLSGYS IEDVLLQDSL LDAVEDALLD LVTESADLLP VLVVGAPLRH DATA SEQUENCE RHRIYNTAVV IHRGAVLGVV PKSYLPTYRE FYERRQMAPG DGERGTIRIG DATA SEQUENCE GADVAFGTDL LFAASDLPGF VLHVEICEDM FVPMPPSAEA ALAGATVLAN DATA SEQUENCE LSGSPITIGR AEDRRLLARS ASARCLAAYV YAAAGEGEST TDLAWDGQTM DATA SEQUENCE IWENGALLAE SERFPKGVRR SVADVDTELL RSERLRMGTF DDNRRHHREL DATA SEQUENCE TESFRRIDFA LDPPAGDIGL LREVERFPFV PADPQRLQQD CYEAYNIQVS DATA SEQUENCE GLEQRLRALD YPKVVIGVSG GLDSTHALIV ATHAMDREGR PRSDILAFAL DATA SEQUENCE PGFXXXXXXK NNAIKLARAL GVTFSEIDIG DTARLMLHTI GHPYSVGEKV DATA SEQUENCE YDVTFENVQA GLRTDYLFRI ANQRGGIVLG TGDLSELALG WSTYGVGDQM DATA SEQUENCE SHYNVNAGVP KTLIQHLIRW VISAGEFGEK VGEVLQSVLD TEXXXXXXXX DATA SEQUENCE XXXXXXXXXA KVGPFALQDF SLFQVLRYGF RPSKIAFLAW HAWNDAERGN DATA SEQUENCE WPPGFPKSER PSYSLAEIRH WLQIFVQRFY SFSQFKRSAL PNGPKVSHGG DATA SEQUENCE ALSPRGDWRA PSDMSARIWL DQIDREVPKG 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.594 174.600 -0.010 0.000 1.055 0 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 0 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 1 M N 3.060 122.647 119.600 -0.022 0.000 2.245 1 M HA 0.318 4.798 4.480 -0.000 0.000 0.335 1 M C -0.122 176.174 176.300 -0.007 0.000 1.155 1 M CA 0.389 55.665 55.300 -0.040 0.000 1.055 1 M CB -0.029 32.519 32.600 -0.088 0.000 1.670 1 M HN 0.361 nan 8.290 nan 0.000 0.447 2 N N 3.380 122.079 118.700 -0.003 0.000 2.400 2 N HA -0.018 4.722 4.740 -0.000 0.000 0.267 2 N C -0.057 175.471 175.510 0.028 0.000 1.208 2 N CA 0.002 53.081 53.050 0.047 0.000 0.951 2 N CB -0.052 38.481 38.487 0.078 0.000 1.227 2 N HN 0.807 nan 8.380 nan 0.000 0.488 3 F N 4.528 124.391 119.950 -0.146 0.000 2.250 3 F HA -0.175 4.352 4.527 -0.000 0.000 0.301 3 F C 0.522 176.298 175.800 -0.040 0.000 1.077 3 F CA 1.444 59.345 58.000 -0.166 0.000 1.348 3 F CB -0.014 38.717 39.000 -0.448 0.000 1.040 3 F HN 0.545 nan 8.300 nan 0.000 0.509 4 Y N -0.886 119.508 120.300 0.155 0.000 2.466 4 Y HA 0.217 4.767 4.550 -0.000 0.000 0.272 4 Y C 1.331 177.379 175.900 0.248 0.000 1.169 4 Y CA 0.185 58.417 58.100 0.221 0.000 1.285 4 Y CB -0.685 37.865 38.460 0.149 0.000 1.078 4 Y HN -0.084 nan 8.280 nan 0.000 0.523 5 S N 0.752 116.565 115.700 0.188 0.000 2.448 5 S HA 0.461 4.931 4.470 -0.000 0.000 0.279 5 S C 1.397 175.992 174.600 -0.008 0.000 1.195 5 S CA -0.014 58.263 58.200 0.128 0.000 1.051 5 S CB 0.874 64.129 63.200 0.091 0.000 0.948 5 S HN 0.409 nan 8.310 nan 0.000 0.493 6 A N 5.268 128.104 122.820 0.026 0.000 2.070 6 A HA -0.001 4.319 4.320 -0.000 0.000 0.220 6 A C 1.438 179.006 177.584 -0.026 0.000 1.159 6 A CA 1.219 53.222 52.037 -0.057 0.000 0.656 6 A CB -0.722 18.163 19.000 -0.192 0.000 0.800 6 A HN 0.928 nan 8.150 nan 0.000 0.453 7 Y N -0.015 120.305 120.300 0.033 0.000 2.220 7 Y HA -0.141 4.409 4.550 -0.000 0.000 0.291 7 Y C 2.623 178.481 175.900 -0.069 0.000 1.129 7 Y CA 1.698 59.800 58.100 0.004 0.000 1.161 7 Y CB -0.278 38.181 38.460 -0.001 0.000 0.997 7 Y HN 0.411 nan 8.280 nan 0.000 0.522 8 Q N -0.973 118.832 119.800 0.008 0.000 2.364 8 Q HA -0.140 4.200 4.340 -0.000 0.000 0.207 8 Q C 0.660 176.432 176.000 -0.381 0.000 0.970 8 Q CA 0.848 56.542 55.803 -0.183 0.000 0.888 8 Q CB -0.043 28.554 28.738 -0.234 0.000 0.951 8 Q HN 0.637 nan 8.270 nan 0.000 0.469 9 H N -1.285 117.613 119.070 -0.286 0.000 2.505 9 H HA 0.195 4.751 4.556 -0.000 0.000 0.289 9 H C 0.856 175.957 175.328 -0.379 0.000 1.052 9 H CA 0.654 56.481 56.048 -0.367 0.000 1.156 9 H CB 1.081 30.458 29.762 -0.642 0.000 1.507 9 H HN 0.418 nan 8.280 nan 0.000 0.548 10 G N 0.807 109.478 108.800 -0.216 0.000 2.144 10 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 10 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 10 G C -0.198 174.441 174.900 -0.434 0.000 0.988 10 G CA -0.435 44.479 45.100 -0.309 0.000 0.659 10 G HN 0.197 nan 8.290 nan 0.000 0.522 11 F N -0.460 119.375 119.950 -0.191 0.000 2.397 11 F HA 0.659 5.186 4.527 -0.000 0.000 0.331 11 F C 0.590 176.179 175.800 -0.352 0.000 1.090 11 F CA -0.685 57.156 58.000 -0.264 0.000 1.065 11 F CB 2.106 40.921 39.000 -0.310 0.000 1.184 11 F HN 0.064 nan 8.300 nan 0.000 0.499 12 V N 4.809 124.652 119.914 -0.118 0.000 2.444 12 V HA 0.487 4.607 4.120 -0.000 0.000 0.294 12 V C -0.563 175.400 176.094 -0.218 0.000 1.022 12 V CA -0.806 61.376 62.300 -0.196 0.000 0.850 12 V CB 1.380 33.015 31.823 -0.312 0.000 0.992 12 V HN 0.784 nan 8.190 nan 0.000 0.426 13 R N 4.655 125.025 120.500 -0.217 0.000 2.267 13 R HA 0.637 4.977 4.340 -0.000 0.000 0.319 13 R C -1.294 174.957 176.300 -0.081 0.000 1.067 13 R CA -0.099 55.926 56.100 -0.125 0.000 0.936 13 R CB 1.266 31.524 30.300 -0.069 0.000 1.006 13 R HN 0.637 nan 8.270 nan 0.000 0.452 14 V N 3.480 123.340 119.914 -0.091 0.000 2.656 14 V HA 0.677 4.797 4.120 -0.000 0.000 0.307 14 V C -0.814 175.246 176.094 -0.056 0.000 1.051 14 V CA -0.639 61.613 62.300 -0.081 0.000 0.893 14 V CB 1.916 33.684 31.823 -0.092 0.000 0.999 14 V HN 0.935 nan 8.190 nan 0.000 0.426 15 A N 3.979 126.765 122.820 -0.056 0.000 2.343 15 A HA 0.942 5.262 4.320 -0.000 0.000 0.316 15 A C -0.276 177.239 177.584 -0.115 0.000 1.104 15 A CA -0.317 51.671 52.037 -0.081 0.000 0.768 15 A CB 1.589 20.535 19.000 -0.091 0.000 1.213 15 A HN 1.348 nan 8.150 nan 0.000 0.456 16 A N 1.348 124.109 122.820 -0.098 0.000 2.271 16 A HA 0.595 4.915 4.320 -0.000 0.000 0.317 16 A C -0.348 177.137 177.584 -0.164 0.000 1.245 16 A CA -0.345 51.627 52.037 -0.109 0.000 0.857 16 A CB -0.015 18.989 19.000 0.007 0.000 1.175 16 A HN 0.997 nan 8.150 nan 0.000 0.512 17 C N 1.110 120.215 119.300 -0.325 0.000 2.417 17 C HA 0.784 5.244 4.460 -0.000 0.000 0.324 17 C C 0.668 175.599 174.990 -0.098 0.000 1.240 17 C CA -0.487 58.342 59.018 -0.315 0.000 1.632 17 C CB 1.163 28.456 27.740 -0.747 0.000 2.241 17 C HN 0.834 nan 8.230 nan 0.000 0.499 18 T N 3.115 117.699 114.554 0.050 0.000 2.772 18 T HA 0.428 4.778 4.350 -0.000 0.000 0.288 18 T C -0.123 174.730 174.700 0.254 0.000 0.994 18 T CA -0.207 61.998 62.100 0.175 0.000 0.951 18 T CB -0.223 68.719 68.868 0.124 0.000 0.933 18 T HN 0.892 nan 8.240 nan 0.000 0.447 19 H N 2.722 121.898 119.070 0.176 0.000 2.530 19 H HA 0.424 4.980 4.556 -0.000 0.000 0.342 19 H C -0.599 174.830 175.328 0.168 0.000 1.312 19 H CA -0.740 55.427 56.048 0.198 0.000 1.376 19 H CB 0.239 30.143 29.762 0.236 0.000 1.692 19 H HN 0.586 nan 8.280 nan 0.000 0.622 20 H N 0.316 119.277 119.070 -0.183 0.000 2.782 20 H HA 0.219 4.775 4.556 -0.000 0.000 0.285 20 H C -0.572 174.490 175.328 -0.443 0.000 1.093 20 H CA -0.240 55.648 56.048 -0.267 0.000 1.410 20 H CB -0.069 29.644 29.762 -0.082 0.000 1.439 20 H HN 0.551 nan 8.280 nan 0.000 0.469 21 T N 5.634 119.660 114.554 -0.879 0.000 2.751 21 T HA 0.075 4.425 4.350 -0.000 0.000 0.290 21 T C -0.007 174.308 174.700 -0.641 0.000 0.919 21 T CA -0.052 61.656 62.100 -0.653 0.000 1.136 21 T CB -0.171 68.413 68.868 -0.474 0.000 0.875 21 T HN 0.630 nan 8.240 nan 0.000 0.532 22 T N 6.354 120.678 114.554 -0.383 0.000 2.891 22 T HA 0.280 4.630 4.350 -0.000 0.000 0.315 22 T C 0.952 175.567 174.700 -0.142 0.000 1.054 22 T CA -0.838 61.124 62.100 -0.229 0.000 0.958 22 T CB -0.243 68.554 68.868 -0.119 0.000 1.008 22 T HN 0.556 nan 8.240 nan 0.000 0.521 23 I N 0.209 120.694 120.570 -0.140 0.000 2.752 23 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 23 I C 1.052 177.130 176.117 -0.065 0.000 1.188 23 I CA 0.463 61.702 61.300 -0.101 0.000 1.427 23 I CB -0.668 37.271 38.000 -0.102 0.000 1.365 23 I HN 0.864 nan 8.210 nan 0.000 0.585 24 G N 4.356 113.125 108.800 -0.052 0.000 2.168 24 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 24 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 24 G C -0.034 174.846 174.900 -0.032 0.000 0.997 24 G CA 0.670 45.747 45.100 -0.038 0.000 0.708 24 G HN 1.064 nan 8.290 nan 0.000 0.520 25 D N -0.837 119.542 120.400 -0.035 0.000 2.429 25 D HA 0.439 5.079 4.640 -0.000 0.000 0.255 25 D C -1.245 175.040 176.300 -0.025 0.000 1.257 25 D CA -1.756 52.227 54.000 -0.028 0.000 0.890 25 D CB 1.128 41.912 40.800 -0.027 0.000 1.267 25 D HN 0.090 nan 8.370 nan 0.000 0.521 26 P HA -0.035 nan 4.420 nan 0.000 0.217 26 P C 1.248 178.530 177.300 -0.030 0.000 1.150 26 P CA 1.109 64.192 63.100 -0.028 0.000 0.832 26 P CB 0.357 32.040 31.700 -0.028 0.000 0.787 27 A N 0.011 122.817 122.820 -0.024 0.000 1.978 27 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 27 A C 2.265 179.840 177.584 -0.015 0.000 1.170 27 A CA 2.120 54.144 52.037 -0.023 0.000 0.636 27 A CB -1.533 17.456 19.000 -0.017 0.000 0.810 27 A HN 0.214 nan 8.150 nan 0.000 0.448 28 A N 0.013 122.828 122.820 -0.009 0.000 1.930 28 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 28 A C 1.819 179.414 177.584 0.018 0.000 1.176 28 A CA 1.370 53.410 52.037 0.006 0.000 0.632 28 A CB -0.638 18.365 19.000 0.005 0.000 0.819 28 A HN 0.664 nan 8.150 nan 0.000 0.445 29 N N 0.628 119.335 118.700 0.011 0.000 2.120 29 N HA -0.073 4.667 4.740 -0.000 0.000 0.188 29 N C 1.877 177.381 175.510 -0.009 0.000 1.024 29 N CA 1.257 54.341 53.050 0.057 0.000 0.852 29 N CB -0.270 38.246 38.487 0.048 0.000 1.003 29 N HN 0.470 nan 8.380 nan 0.000 0.424 30 A N 0.902 123.686 122.820 -0.060 0.000 1.933 30 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 30 A C 2.259 179.796 177.584 -0.080 0.000 1.175 30 A CA 1.747 53.721 52.037 -0.105 0.000 0.628 30 A CB -0.797 18.151 19.000 -0.085 0.000 0.814 30 A HN 0.359 nan 8.150 nan 0.000 0.444 31 A N -0.956 121.847 122.820 -0.028 0.000 2.016 31 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 31 A C 2.405 180.002 177.584 0.022 0.000 1.162 31 A CA 1.784 53.817 52.037 -0.008 0.000 0.662 31 A CB -0.707 18.297 19.000 0.007 0.000 0.812 31 A HN 0.616 nan 8.150 nan 0.000 0.450 32 S N -0.377 115.359 115.700 0.060 0.000 2.368 32 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 32 S C 1.909 176.567 174.600 0.096 0.000 1.029 32 S CA 1.641 59.917 58.200 0.126 0.000 0.988 32 S CB -0.491 62.844 63.200 0.226 0.000 0.838 32 S HN 0.258 nan 8.310 nan 0.000 0.462 33 V N 1.967 121.845 119.914 -0.059 0.000 2.261 33 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 33 V C 2.519 178.526 176.094 -0.145 0.000 1.047 33 V CA 1.941 64.046 62.300 -0.326 0.000 1.015 33 V CB -0.804 30.579 31.823 -0.734 0.000 0.642 33 V HN 0.560 nan 8.190 nan 0.000 0.446 34 L N 0.350 121.511 121.223 -0.104 0.000 2.079 34 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 34 L C 1.942 178.825 176.870 0.020 0.000 1.081 34 L CA 2.364 57.176 54.840 -0.046 0.000 0.752 34 L CB -0.750 41.280 42.059 -0.049 0.000 0.896 34 L HN 0.371 nan 8.230 nan 0.000 0.433 35 D N -1.249 119.178 120.400 0.044 0.000 2.097 35 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 35 D C 2.187 178.555 176.300 0.114 0.000 0.984 35 D CA 1.650 55.692 54.000 0.070 0.000 0.826 35 D CB 0.002 40.845 40.800 0.072 0.000 0.973 35 D HN 0.338 nan 8.370 nan 0.000 0.460 36 M N -0.000 119.708 119.600 0.180 0.000 2.086 36 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 36 M C 2.398 178.846 176.300 0.246 0.000 1.067 36 M CA 1.368 56.810 55.300 0.237 0.000 1.116 36 M CB -0.362 32.465 32.600 0.378 0.000 1.348 36 M HN 0.037 nan 8.290 nan 0.000 0.407 37 A N 0.695 123.713 122.820 0.329 0.000 1.958 37 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 37 A C 2.189 179.873 177.584 0.166 0.000 1.178 37 A CA 1.887 54.075 52.037 0.251 0.000 0.642 37 A CB -0.719 18.395 19.000 0.190 0.000 0.816 37 A HN 0.471 nan 8.150 nan 0.000 0.453 38 R N -1.004 119.569 120.500 0.123 0.000 2.090 38 R HA 0.043 4.383 4.340 -0.000 0.000 0.228 38 R C 2.532 178.917 176.300 0.141 0.000 1.110 38 R CA 0.952 57.114 56.100 0.102 0.000 0.973 38 R CB -0.426 29.901 30.300 0.045 0.000 0.869 38 R HN 0.511 nan 8.270 nan 0.000 0.440 39 A N 0.638 123.528 122.820 0.116 0.000 1.948 39 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 39 A C 2.301 179.945 177.584 0.098 0.000 1.177 39 A CA 1.667 53.762 52.037 0.097 0.000 0.636 39 A CB -0.791 18.257 19.000 0.079 0.000 0.815 39 A HN 0.455 nan 8.150 nan 0.000 0.449 40 C N -2.331 117.038 119.300 0.115 0.000 2.486 40 C HA 0.057 4.517 4.460 -0.000 0.000 0.279 40 C C 2.539 177.599 174.990 0.116 0.000 1.302 40 C CA 0.877 59.952 59.018 0.095 0.000 1.720 40 C CB -1.465 26.329 27.740 0.091 0.000 2.030 40 C HN 0.852 nan 8.230 nan 0.000 0.490 41 H N 1.706 120.814 119.070 0.064 0.000 2.289 41 H HA -0.187 4.369 4.556 -0.000 0.000 0.294 41 H C 1.607 176.967 175.328 0.054 0.000 1.095 41 H CA 2.430 58.513 56.048 0.059 0.000 1.256 41 H CB -0.324 29.467 29.762 0.048 0.000 1.359 41 H HN 0.340 nan 8.280 nan 0.000 0.487 42 D N -0.106 120.376 120.400 0.136 0.000 2.149 42 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 42 D C 1.248 177.553 176.300 0.009 0.000 0.990 42 D CA 1.390 55.431 54.000 0.070 0.000 0.839 42 D CB -0.342 40.522 40.800 0.107 0.000 0.948 42 D HN 0.521 nan 8.370 nan 0.000 0.460 43 D N -0.945 119.466 120.400 0.018 0.000 2.349 43 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 43 D C 1.202 177.511 176.300 0.015 0.000 1.029 43 D CA 0.550 54.557 54.000 0.012 0.000 0.879 43 D CB 0.165 40.972 40.800 0.012 0.000 0.906 43 D HN 0.219 nan 8.370 nan 0.000 0.528 44 G N 0.472 109.268 108.800 -0.008 0.000 2.198 44 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.257 44 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.257 44 G C 0.519 175.495 174.900 0.128 0.000 1.042 44 G CA 0.237 45.360 45.100 0.038 0.000 0.791 44 G HN 0.581 nan 8.290 nan 0.000 0.502 45 A N -0.735 122.131 122.820 0.077 0.000 2.332 45 A HA 0.852 5.172 4.320 -0.000 0.000 0.258 45 A C 1.380 179.040 177.584 0.127 0.000 1.087 45 A CA 0.791 52.884 52.037 0.093 0.000 0.802 45 A CB 0.925 19.953 19.000 0.047 0.000 1.042 45 A HN 1.763 nan 8.150 nan 0.000 0.489 46 A N 0.336 123.229 122.820 0.122 0.000 2.288 46 A HA 0.525 4.845 4.320 -0.000 0.000 0.216 46 A C 0.097 177.780 177.584 0.165 0.000 1.199 46 A CA 0.428 52.558 52.037 0.154 0.000 0.891 46 A CB -0.025 19.043 19.000 0.113 0.000 0.923 46 A HN 1.292 nan 8.150 nan 0.000 0.500 47 L N -1.381 119.895 121.223 0.088 0.000 2.513 47 L HA 0.741 5.081 4.340 -0.000 0.000 0.261 47 L C -1.311 175.578 176.870 0.032 0.000 0.945 47 L CA -0.219 54.676 54.840 0.093 0.000 0.848 47 L CB 1.930 44.046 42.059 0.095 0.000 1.334 47 L HN 0.208 nan 8.230 nan 0.000 0.407 48 A N 4.569 127.405 122.820 0.026 0.000 2.522 48 A HA 0.697 5.017 4.320 -0.000 0.000 0.285 48 A C -1.444 176.063 177.584 -0.128 0.000 1.198 48 A CA -0.472 51.513 52.037 -0.086 0.000 0.742 48 A CB 1.133 20.141 19.000 0.013 0.000 1.176 48 A HN 0.476 nan 8.150 nan 0.000 0.444 49 V N 3.419 123.210 119.914 -0.205 0.000 2.461 49 V HA 0.426 4.546 4.120 -0.000 0.000 0.275 49 V C -0.268 175.634 176.094 -0.321 0.000 1.047 49 V CA 0.210 62.426 62.300 -0.139 0.000 0.955 49 V CB 0.217 31.997 31.823 -0.071 0.000 0.988 49 V HN 0.698 nan 8.190 nan 0.000 0.471 50 F N 5.760 125.671 119.950 -0.065 0.000 2.461 50 F HA 0.615 5.142 4.527 -0.000 0.000 0.332 50 F C -1.984 173.767 175.800 -0.082 0.000 1.073 50 F CA -2.531 55.417 58.000 -0.087 0.000 1.017 50 F CB 0.955 39.849 39.000 -0.177 0.000 1.301 50 F HN 0.304 nan 8.300 nan 0.000 0.492 51 P HA 0.064 nan 4.420 nan 0.000 0.276 51 P C -0.946 176.379 177.300 0.041 0.000 1.244 51 P CA -0.588 62.548 63.100 0.059 0.000 0.801 51 P CB 0.417 32.192 31.700 0.126 0.000 1.006 52 E N 2.026 122.231 120.200 0.007 0.000 2.708 52 E HA -0.111 4.239 4.350 -0.000 0.000 0.260 52 E C 0.156 176.823 176.600 0.111 0.000 0.937 52 E CA 0.265 56.694 56.400 0.048 0.000 0.953 52 E CB -0.439 29.265 29.700 0.008 0.000 0.915 52 E HN 0.378 nan 8.360 nan 0.000 0.487 53 L N 3.539 124.826 121.223 0.107 0.000 3.843 53 L HA -0.359 3.981 4.340 -0.000 0.000 0.411 53 L C 1.349 178.250 176.870 0.052 0.000 1.205 53 L CA 0.536 55.433 54.840 0.095 0.000 0.945 53 L CB -2.355 39.796 42.059 0.153 0.000 1.929 53 L HN 0.766 nan 8.230 nan 0.000 0.934 54 T N -0.786 113.770 114.554 0.003 0.000 2.701 54 T HA -0.283 4.067 4.350 -0.000 0.000 0.265 54 T C 1.529 176.186 174.700 -0.071 0.000 1.032 54 T CA 2.117 64.148 62.100 -0.115 0.000 1.158 54 T CB -0.138 68.555 68.868 -0.292 0.000 0.854 54 T HN 0.297 nan 8.240 nan 0.000 0.463 55 L N 0.363 121.547 121.223 -0.064 0.000 2.477 55 L HA 0.205 4.545 4.340 -0.000 0.000 0.220 55 L C 2.426 179.281 176.870 -0.025 0.000 1.106 55 L CA 1.142 55.944 54.840 -0.063 0.000 0.851 55 L CB -0.221 41.792 42.059 -0.075 0.000 0.994 55 L HN 0.434 nan 8.230 nan 0.000 0.462 56 S N -1.970 113.725 115.700 -0.008 0.000 2.591 56 S HA 0.582 5.052 4.470 -0.000 0.000 0.235 56 S C 0.890 175.479 174.600 -0.018 0.000 1.074 56 S CA 0.265 58.457 58.200 -0.012 0.000 0.925 56 S CB 0.537 63.731 63.200 -0.010 0.000 0.818 56 S HN 0.388 nan 8.310 nan 0.000 0.535 57 G N 0.441 109.240 108.800 -0.002 0.000 2.801 57 G HA2 0.043 4.003 3.960 -0.000 0.000 0.648 57 G HA3 0.043 4.003 3.960 -0.000 0.000 0.648 57 G C -0.391 174.505 174.900 -0.006 0.000 1.415 57 G CA -0.180 44.899 45.100 -0.034 0.000 0.887 57 G HN 0.309 nan 8.290 nan 0.000 0.627 58 Y N 2.148 122.370 120.300 -0.131 0.000 2.200 58 Y HA -0.017 4.533 4.550 -0.000 0.000 0.290 58 Y C 2.700 178.593 175.900 -0.013 0.000 1.137 58 Y CA 2.892 60.957 58.100 -0.057 0.000 1.163 58 Y CB 0.111 38.538 38.460 -0.055 0.000 0.988 58 Y HN 0.949 nan 8.280 nan 0.000 0.518 59 S N 0.329 115.936 115.700 -0.154 0.000 2.631 59 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 59 S C 1.569 176.112 174.600 -0.094 0.000 0.958 59 S CA 0.250 58.392 58.200 -0.096 0.000 0.920 59 S CB -1.490 61.761 63.200 0.085 0.000 0.776 59 S HN 0.609 nan 8.310 nan 0.000 0.517 60 I N -1.612 118.889 120.570 -0.114 0.000 3.456 60 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 60 I C 0.653 176.723 176.117 -0.079 0.000 1.307 60 I CA -0.033 61.219 61.300 -0.079 0.000 1.333 60 I CB -0.663 37.297 38.000 -0.066 0.000 1.032 60 I HN 0.039 nan 8.210 nan 0.000 0.506 61 E N 2.009 122.147 120.200 -0.104 0.000 3.464 61 E HA -0.337 4.013 4.350 -0.000 0.000 0.362 61 E C 0.716 177.278 176.600 -0.064 0.000 1.544 61 E CA 2.158 58.505 56.400 -0.088 0.000 1.816 61 E CB -1.196 28.448 29.700 -0.093 0.000 1.767 61 E HN 0.548 nan 8.360 nan 0.000 0.458 62 D N 0.541 120.908 120.400 -0.055 0.000 2.411 62 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 62 D C 1.694 177.972 176.300 -0.036 0.000 0.988 62 D CA 0.632 54.608 54.000 -0.040 0.000 0.938 62 D CB -0.168 40.611 40.800 -0.037 0.000 0.883 62 D HN 0.107 nan 8.370 nan 0.000 0.525 63 V N 0.399 120.289 119.914 -0.041 0.000 3.041 63 V HA -0.120 4.000 4.120 -0.000 0.000 0.260 63 V C 2.341 178.417 176.094 -0.031 0.000 1.105 63 V CA 0.569 62.848 62.300 -0.034 0.000 1.125 63 V CB -0.327 31.474 31.823 -0.035 0.000 0.730 63 V HN 0.256 nan 8.190 nan 0.000 0.479 64 L N -0.599 120.603 121.223 -0.035 0.000 2.261 64 L HA -0.127 4.213 4.340 -0.000 0.000 0.216 64 L C 1.831 178.690 176.870 -0.018 0.000 1.114 64 L CA 1.374 56.198 54.840 -0.027 0.000 0.777 64 L CB -0.304 41.736 42.059 -0.032 0.000 0.910 64 L HN 0.319 nan 8.230 nan 0.000 0.440 65 L N -0.522 120.689 121.223 -0.019 0.000 2.653 65 L HA 0.086 4.426 4.340 -0.000 0.000 0.232 65 L C 0.217 177.079 176.870 -0.013 0.000 1.169 65 L CA -0.176 54.655 54.840 -0.015 0.000 0.951 65 L CB -0.049 42.000 42.059 -0.017 0.000 1.181 65 L HN 0.202 nan 8.230 nan 0.000 0.460 66 Q N -0.179 119.613 119.800 -0.013 0.000 2.290 66 Q HA 0.135 4.475 4.340 -0.000 0.000 0.259 66 Q C 0.192 176.186 176.000 -0.009 0.000 0.941 66 Q CA -0.388 55.407 55.803 -0.012 0.000 0.912 66 Q CB 1.844 30.573 28.738 -0.014 0.000 1.244 66 Q HN 0.033 nan 8.270 nan 0.000 0.441 67 D N 1.018 121.413 120.400 -0.007 0.000 2.172 67 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 67 D C 1.103 177.399 176.300 -0.006 0.000 0.999 67 D CA 1.585 55.582 54.000 -0.005 0.000 0.856 67 D CB 0.289 41.086 40.800 -0.005 0.000 0.934 67 D HN 0.399 nan 8.370 nan 0.000 0.453 68 S N 0.122 115.817 115.700 -0.008 0.000 2.414 68 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 68 S C 1.760 176.354 174.600 -0.010 0.000 1.022 68 S CA -0.065 58.130 58.200 -0.009 0.000 0.958 68 S CB 0.091 63.285 63.200 -0.010 0.000 0.797 68 S HN 0.233 nan 8.310 nan 0.000 0.493 69 L N 2.333 123.550 121.223 -0.011 0.000 1.988 69 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 69 L C 1.967 178.831 176.870 -0.009 0.000 1.071 69 L CA 1.789 56.622 54.840 -0.013 0.000 0.744 69 L CB -1.269 40.781 42.059 -0.015 0.000 0.893 69 L HN 0.310 nan 8.230 nan 0.000 0.433 70 L N 0.140 121.360 121.223 -0.005 0.000 2.043 70 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 70 L C 2.440 179.309 176.870 -0.001 0.000 1.075 70 L CA 1.665 56.506 54.840 0.001 0.000 0.752 70 L CB -0.829 41.233 42.059 0.006 0.000 0.891 70 L HN 0.323 nan 8.230 nan 0.000 0.432 71 D N -0.041 120.356 120.400 -0.004 0.000 2.097 71 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 71 D C 2.200 178.495 176.300 -0.009 0.000 0.989 71 D CA 1.646 55.643 54.000 -0.005 0.000 0.827 71 D CB 0.045 40.841 40.800 -0.006 0.000 0.966 71 D HN 0.349 nan 8.370 nan 0.000 0.456 72 A N 0.404 123.217 122.820 -0.011 0.000 1.929 72 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 72 A C 2.533 180.106 177.584 -0.018 0.000 1.176 72 A CA 0.734 52.762 52.037 -0.015 0.000 0.628 72 A CB -0.610 18.381 19.000 -0.015 0.000 0.816 72 A HN 0.113 nan 8.150 nan 0.000 0.444 73 V N 0.519 120.423 119.914 -0.017 0.000 2.252 73 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 73 V C 2.443 178.525 176.094 -0.021 0.000 1.056 73 V CA 2.511 64.799 62.300 -0.020 0.000 1.022 73 V CB -0.936 30.881 31.823 -0.011 0.000 0.641 73 V HN 0.654 nan 8.190 nan 0.000 0.445 74 E N -0.061 120.131 120.200 -0.013 0.000 2.049 74 E HA -0.292 4.058 4.350 -0.000 0.000 0.198 74 E C 1.923 178.510 176.600 -0.020 0.000 1.007 74 E CA 1.799 58.191 56.400 -0.013 0.000 0.809 74 E CB -0.320 29.375 29.700 -0.007 0.000 0.749 74 E HN 0.633 nan 8.360 nan 0.000 0.450 75 D N -0.093 120.296 120.400 -0.020 0.000 2.264 75 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 75 D C 1.579 177.861 176.300 -0.029 0.000 0.966 75 D CA 1.105 55.092 54.000 -0.022 0.000 0.864 75 D CB -0.085 40.703 40.800 -0.019 0.000 0.933 75 D HN 0.209 nan 8.370 nan 0.000 0.499 76 A N 0.515 123.314 122.820 -0.034 0.000 1.861 76 A HA 0.017 4.337 4.320 -0.000 0.000 0.212 76 A C 2.059 179.609 177.584 -0.057 0.000 1.199 76 A CA 0.213 52.223 52.037 -0.045 0.000 0.613 76 A CB -0.765 18.207 19.000 -0.048 0.000 0.846 76 A HN 0.203 nan 8.150 nan 0.000 0.446 77 L N -0.016 121.173 121.223 -0.056 0.000 2.034 77 L HA -0.252 4.088 4.340 -0.000 0.000 0.217 77 L C 2.457 179.295 176.870 -0.053 0.000 1.077 77 L CA 2.189 56.993 54.840 -0.060 0.000 0.769 77 L CB -0.644 41.388 42.059 -0.045 0.000 0.890 77 L HN 0.463 nan 8.230 nan 0.000 0.435 78 L N -0.548 120.651 121.223 -0.041 0.000 2.083 78 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 78 L C 2.178 179.024 176.870 -0.041 0.000 1.083 78 L CA 1.407 56.226 54.840 -0.036 0.000 0.752 78 L CB -0.579 41.464 42.059 -0.027 0.000 0.899 78 L HN 0.268 nan 8.230 nan 0.000 0.433 79 D N 0.025 120.399 120.400 -0.043 0.000 2.097 79 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 79 D C 2.374 178.640 176.300 -0.057 0.000 0.989 79 D CA 1.031 55.004 54.000 -0.046 0.000 0.827 79 D CB -0.172 40.603 40.800 -0.043 0.000 0.966 79 D HN 0.155 nan 8.370 nan 0.000 0.456 80 L N 0.198 121.378 121.223 -0.071 0.000 2.081 80 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 80 L C 2.318 179.142 176.870 -0.077 0.000 1.080 80 L CA 0.749 55.536 54.840 -0.088 0.000 0.754 80 L CB -0.253 41.735 42.059 -0.119 0.000 0.893 80 L HN 0.029 nan 8.230 nan 0.000 0.433 81 V N -0.821 119.052 119.914 -0.067 0.000 2.307 81 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 81 V C 2.489 178.549 176.094 -0.057 0.000 1.045 81 V CA 2.304 64.567 62.300 -0.061 0.000 1.024 81 V CB -0.518 31.275 31.823 -0.050 0.000 0.651 81 V HN 0.443 nan 8.190 nan 0.000 0.449 82 T N -0.653 113.871 114.554 -0.050 0.000 2.881 82 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 82 T C 1.751 176.418 174.700 -0.055 0.000 1.068 82 T CA 1.054 63.126 62.100 -0.047 0.000 1.131 82 T CB -0.233 68.612 68.868 -0.039 0.000 0.871 82 T HN 0.421 nan 8.240 nan 0.000 0.479 83 E N 1.169 121.333 120.200 -0.060 0.000 2.418 83 E HA -0.019 4.331 4.350 -0.000 0.000 0.197 83 E C 2.365 178.921 176.600 -0.074 0.000 1.026 83 E CA 0.664 57.026 56.400 -0.065 0.000 0.862 83 E CB -0.085 29.577 29.700 -0.064 0.000 0.799 83 E HN 0.662 nan 8.360 nan 0.000 0.518 84 S N -0.361 115.293 115.700 -0.076 0.000 2.503 84 S HA 0.216 4.686 4.470 -0.000 0.000 0.215 84 S C 2.180 176.716 174.600 -0.106 0.000 1.003 84 S CA 0.457 58.605 58.200 -0.087 0.000 0.910 84 S CB 0.288 63.436 63.200 -0.087 0.000 0.790 84 S HN 0.169 nan 8.310 nan 0.000 0.514 85 A N 2.824 125.588 122.820 -0.092 0.000 1.984 85 A HA -0.243 4.077 4.320 -0.000 0.000 0.224 85 A C 1.326 178.860 177.584 -0.084 0.000 1.256 85 A CA 2.205 54.192 52.037 -0.084 0.000 0.679 85 A CB -0.843 18.121 19.000 -0.060 0.000 0.829 85 A HN 0.632 nan 8.150 nan 0.000 0.483 86 D N -1.396 118.949 120.400 -0.092 0.000 2.755 86 D HA 0.446 5.086 4.640 -0.000 0.000 0.257 86 D C -0.949 175.250 176.300 -0.168 0.000 1.291 86 D CA 0.010 53.946 54.000 -0.107 0.000 0.836 86 D CB 0.524 41.257 40.800 -0.111 0.000 1.059 86 D HN 0.153 nan 8.370 nan 0.000 0.486 87 L N 0.856 122.030 121.223 -0.083 0.000 2.431 87 L HA 0.201 4.541 4.340 -0.000 0.000 0.266 87 L C 0.702 177.673 176.870 0.169 0.000 0.978 87 L CA -0.688 54.160 54.840 0.013 0.000 0.822 87 L CB 2.536 44.586 42.059 -0.016 0.000 1.310 87 L HN -0.136 nan 8.230 nan 0.000 0.409 88 L N 4.786 126.254 121.223 0.409 0.000 2.072 88 L HA 0.232 4.572 4.340 -0.000 0.000 0.205 88 L C -1.608 175.411 176.870 0.248 0.000 1.079 88 L CA 1.223 56.212 54.840 0.249 0.000 0.752 88 L CB -0.675 41.450 42.059 0.109 0.000 0.906 88 L HN 0.437 nan 8.230 nan 0.000 0.436 89 P HA 0.106 nan 4.420 nan 0.000 0.282 89 P C -0.648 176.779 177.300 0.212 0.000 1.249 89 P CA -0.108 63.116 63.100 0.207 0.000 0.806 89 P CB 1.194 32.989 31.700 0.159 0.000 0.984 90 V N 3.993 124.015 119.914 0.180 0.000 2.599 90 V HA -0.042 4.078 4.120 -0.000 0.000 0.300 90 V C 0.827 176.948 176.094 0.046 0.000 1.034 90 V CA 0.414 62.735 62.300 0.035 0.000 1.115 90 V CB -0.585 31.131 31.823 -0.178 0.000 0.934 90 V HN 0.325 nan 8.190 nan 0.000 0.485 91 L N 5.899 127.135 121.223 0.021 0.000 2.265 91 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 91 L C -0.419 176.461 176.870 0.017 0.000 1.033 91 L CA -0.513 54.379 54.840 0.087 0.000 0.814 91 L CB 1.609 43.700 42.059 0.053 0.000 1.203 91 L HN 0.364 nan 8.230 nan 0.000 0.423 92 V N 4.975 124.936 119.914 0.079 0.000 2.347 92 V HA 0.500 4.620 4.120 -0.000 0.000 0.280 92 V C -0.014 176.137 176.094 0.095 0.000 1.021 92 V CA -0.447 61.856 62.300 0.005 0.000 0.847 92 V CB 1.940 33.739 31.823 -0.039 0.000 0.990 92 V HN 0.460 nan 8.190 nan 0.000 0.444 93 V N 3.484 123.395 119.914 -0.006 0.000 2.841 93 V HA 0.755 4.875 4.120 -0.000 0.000 0.310 93 V C 0.474 176.535 176.094 -0.055 0.000 1.090 93 V CA -0.522 61.750 62.300 -0.047 0.000 0.930 93 V CB 2.269 33.993 31.823 -0.166 0.000 1.014 93 V HN 0.882 nan 8.190 nan 0.000 0.425 94 G N 1.678 110.444 108.800 -0.056 0.000 2.425 94 G HA2 0.808 4.768 3.960 -0.000 0.000 0.302 94 G HA3 0.808 4.768 3.960 -0.000 0.000 0.302 94 G C -0.539 174.348 174.900 -0.021 0.000 1.159 94 G CA 0.036 45.125 45.100 -0.017 0.000 0.865 94 G HN 1.488 nan 8.290 nan 0.000 0.515 95 A N 2.459 125.288 122.820 0.016 0.000 2.560 95 A HA 0.670 4.990 4.320 -0.000 0.000 0.300 95 A C -3.125 174.495 177.584 0.060 0.000 1.062 95 A CA -1.055 50.995 52.037 0.022 0.000 0.767 95 A CB 1.512 20.515 19.000 0.004 0.000 1.288 95 A HN 0.456 nan 8.150 nan 0.000 0.396 96 P HA 0.362 nan 4.420 nan 0.000 0.260 96 P C -0.895 176.452 177.300 0.078 0.000 1.207 96 P CA 0.723 63.865 63.100 0.071 0.000 0.780 96 P CB 0.069 31.792 31.700 0.039 0.000 0.789 97 L N 4.270 125.570 121.223 0.128 0.000 2.381 97 L HA 0.509 4.849 4.340 -0.000 0.000 0.268 97 L C 0.711 177.680 176.870 0.166 0.000 0.997 97 L CA -1.103 53.809 54.840 0.119 0.000 0.818 97 L CB 2.231 44.356 42.059 0.109 0.000 1.310 97 L HN 0.191 nan 8.230 nan 0.000 0.416 98 R N 1.496 122.065 120.500 0.116 0.000 2.389 98 R HA 0.380 4.720 4.340 -0.000 0.000 0.295 98 R C -0.606 175.800 176.300 0.177 0.000 1.075 98 R CA -0.480 55.695 56.100 0.126 0.000 1.005 98 R CB 0.640 30.978 30.300 0.063 0.000 0.987 98 R HN 0.571 nan 8.270 nan 0.000 0.452 99 H N 2.710 121.839 119.070 0.098 0.000 2.966 99 H HA 0.165 4.721 4.556 -0.000 0.000 0.347 99 H C 0.206 175.542 175.328 0.013 0.000 1.048 99 H CA -0.459 55.554 56.048 -0.058 0.000 1.295 99 H CB 1.174 30.683 29.762 -0.420 0.000 1.744 99 H HN 0.798 nan 8.280 nan 0.000 0.513 100 R N 1.683 121.846 120.500 -0.562 0.000 3.950 100 R HA -0.342 3.998 4.340 -0.000 0.000 0.351 100 R C 0.398 176.557 176.300 -0.235 0.000 0.245 100 R CA 2.436 58.222 56.100 -0.522 0.000 1.155 100 R CB -1.326 28.540 30.300 -0.725 0.000 0.980 100 R HN 0.885 nan 8.270 nan 0.000 0.569 101 H N 0.353 119.383 119.070 -0.067 0.000 2.525 101 H HA 0.278 4.834 4.556 -0.000 0.000 0.275 101 H C 0.752 176.050 175.328 -0.050 0.000 0.984 101 H CA 0.498 56.519 56.048 -0.045 0.000 1.264 101 H CB 0.352 30.091 29.762 -0.038 0.000 1.432 101 H HN 0.135 nan 8.280 nan 0.000 0.549 102 R N 0.637 121.159 120.500 0.037 0.000 2.922 102 R HA 0.434 4.774 4.340 -0.000 0.000 0.256 102 R C -0.771 175.475 176.300 -0.089 0.000 1.138 102 R CA -1.098 54.947 56.100 -0.092 0.000 0.995 102 R CB 2.058 32.198 30.300 -0.267 0.000 1.226 102 R HN 0.014 nan 8.270 nan 0.000 0.481 103 I N -1.140 119.354 120.570 -0.128 0.000 2.428 103 I HA 0.430 4.600 4.170 -0.000 0.000 0.296 103 I C -1.020 175.010 176.117 -0.144 0.000 0.985 103 I CA -0.723 60.557 61.300 -0.033 0.000 1.260 103 I CB 0.641 38.643 38.000 0.004 0.000 1.389 103 I HN 0.327 nan 8.210 nan 0.000 0.484 104 Y N 2.628 122.996 120.300 0.114 0.000 2.387 104 Y HA 0.318 4.868 4.550 -0.000 0.000 0.336 104 Y C 0.430 176.400 175.900 0.116 0.000 1.067 104 Y CA -0.768 57.420 58.100 0.148 0.000 1.114 104 Y CB 1.048 39.669 38.460 0.268 0.000 1.208 104 Y HN 0.561 nan 8.280 nan 0.000 0.458 105 N N 2.407 121.252 118.700 0.243 0.000 2.466 105 N HA 0.043 4.783 4.740 -0.000 0.000 0.263 105 N C -0.796 174.816 175.510 0.170 0.000 1.178 105 N CA -0.001 53.156 53.050 0.179 0.000 0.983 105 N CB 0.024 38.605 38.487 0.157 0.000 1.331 105 N HN 0.778 nan 8.380 nan 0.000 0.500 106 T N -0.094 114.549 114.554 0.148 0.000 2.912 106 T HA 0.799 5.149 4.350 -0.000 0.000 0.288 106 T C -0.186 174.544 174.700 0.050 0.000 1.030 106 T CA -1.014 61.147 62.100 0.102 0.000 1.020 106 T CB 1.699 70.648 68.868 0.134 0.000 1.056 106 T HN 0.336 nan 8.240 nan 0.000 0.480 107 A N 1.905 124.731 122.820 0.010 0.000 2.306 107 A HA 0.726 5.046 4.320 -0.000 0.000 0.314 107 A C -0.416 177.142 177.584 -0.044 0.000 1.164 107 A CA -0.751 51.274 52.037 -0.021 0.000 0.822 107 A CB 0.817 19.792 19.000 -0.041 0.000 1.130 107 A HN 0.886 nan 8.150 nan 0.000 0.496 108 V N 2.873 122.749 119.914 -0.063 0.000 2.487 108 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 108 V C -0.449 175.556 176.094 -0.149 0.000 1.028 108 V CA -0.515 61.735 62.300 -0.083 0.000 0.860 108 V CB 1.716 33.506 31.823 -0.054 0.000 0.991 108 V HN 0.624 nan 8.190 nan 0.000 0.427 109 V N 6.681 126.455 119.914 -0.234 0.000 2.311 109 V HA 0.479 4.599 4.120 -0.000 0.000 0.275 109 V C -0.171 175.770 176.094 -0.255 0.000 1.022 109 V CA -0.244 61.833 62.300 -0.371 0.000 0.830 109 V CB 1.123 32.441 31.823 -0.841 0.000 1.012 109 V HN 0.669 nan 8.190 nan 0.000 0.452 110 I N 5.131 125.598 120.570 -0.171 0.000 2.354 110 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 110 I C -0.135 175.951 176.117 -0.051 0.000 0.989 110 I CA -0.192 61.049 61.300 -0.098 0.000 1.188 110 I CB 1.093 39.046 38.000 -0.079 0.000 1.342 110 I HN 0.628 nan 8.210 nan 0.000 0.457 111 H N 7.126 126.109 119.070 -0.144 0.000 2.759 111 H HA 0.378 4.934 4.556 -0.000 0.000 0.354 111 H C -0.237 175.067 175.328 -0.040 0.000 1.074 111 H CA -0.643 55.337 56.048 -0.115 0.000 1.226 111 H CB 1.326 30.963 29.762 -0.208 0.000 1.648 111 H HN 0.562 nan 8.280 nan 0.000 0.529 112 R N 2.883 123.032 120.500 -0.584 0.000 3.387 112 R HA -0.201 4.139 4.340 -0.000 0.000 0.254 112 R C 0.797 176.974 176.300 -0.206 0.000 1.006 112 R CA 1.176 56.989 56.100 -0.478 0.000 0.677 112 R CB -1.983 27.881 30.300 -0.726 0.000 1.063 112 R HN 1.116 nan 8.270 nan 0.000 0.453 113 G N -2.966 105.754 108.800 -0.134 0.000 2.163 113 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.213 113 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.213 113 G C -0.010 174.864 174.900 -0.044 0.000 0.991 113 G CA 0.176 45.231 45.100 -0.075 0.000 0.653 113 G HN 1.013 nan 8.290 nan 0.000 0.518 114 A N -0.802 121.997 122.820 -0.035 0.000 2.539 114 A HA 0.846 5.166 4.320 -0.000 0.000 0.296 114 A C -0.382 177.196 177.584 -0.011 0.000 1.073 114 A CA -0.228 51.805 52.037 -0.007 0.000 0.700 114 A CB 1.994 21.009 19.000 0.026 0.000 1.296 114 A HN 1.220 nan 8.150 nan 0.000 0.405 115 V N 2.782 122.692 119.914 -0.008 0.000 2.461 115 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 115 V C 0.639 176.744 176.094 0.018 0.000 1.047 115 V CA -0.175 62.115 62.300 -0.017 0.000 0.955 115 V CB 1.078 32.893 31.823 -0.014 0.000 0.988 115 V HN 0.823 nan 8.190 nan 0.000 0.471 116 L N 3.987 125.211 121.223 0.003 0.000 2.446 116 L HA 0.453 4.793 4.340 -0.000 0.000 0.219 116 L C 1.046 178.066 176.870 0.250 0.000 1.116 116 L CA 0.957 55.862 54.840 0.108 0.000 0.844 116 L CB -0.709 41.374 42.059 0.040 0.000 0.970 116 L HN 0.905 nan 8.230 nan 0.000 0.457 117 G N -1.765 107.121 108.800 0.143 0.000 2.429 117 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 117 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 117 G C -2.018 172.946 174.900 0.106 0.000 1.598 117 G CA -0.561 44.694 45.100 0.259 0.000 0.863 117 G HN -0.299 nan 8.290 nan 0.000 0.614 118 V N 1.268 121.241 119.914 0.100 0.000 2.407 118 V HA 0.602 4.722 4.120 -0.000 0.000 0.291 118 V C -0.070 175.985 176.094 -0.065 0.000 1.018 118 V CA -0.701 61.630 62.300 0.053 0.000 0.842 118 V CB 1.478 33.389 31.823 0.147 0.000 0.996 118 V HN 0.717 nan 8.190 nan 0.000 0.426 119 V N 8.149 128.016 119.914 -0.079 0.000 2.417 119 V HA 0.602 4.722 4.120 -0.000 0.000 0.291 119 V C -2.351 173.652 176.094 -0.151 0.000 1.024 119 V CA -1.608 60.590 62.300 -0.171 0.000 0.861 119 V CB 2.212 33.984 31.823 -0.085 0.000 0.985 119 V HN 0.733 nan 8.190 nan 0.000 0.436 120 P HA 0.380 nan 4.420 nan 0.000 0.298 120 P C -1.320 175.966 177.300 -0.023 0.000 1.341 120 P CA -1.196 61.854 63.100 -0.084 0.000 0.988 120 P CB 2.032 33.658 31.700 -0.124 0.000 1.265 121 K N 1.398 121.840 120.400 0.070 0.000 2.447 121 K HA 0.103 4.423 4.320 -0.000 0.000 0.281 121 K C 1.089 177.709 176.600 0.034 0.000 1.031 121 K CA 0.144 56.479 56.287 0.078 0.000 1.019 121 K CB 0.115 32.686 32.500 0.118 0.000 0.918 121 K HN 0.251 nan 8.250 nan 0.000 0.476 122 S N 3.351 119.059 115.700 0.013 0.000 2.345 122 S HA -0.079 4.391 4.470 -0.000 0.000 0.220 122 S C -0.333 174.039 174.600 -0.380 0.000 1.031 122 S CA 0.926 58.997 58.200 -0.216 0.000 0.996 122 S CB -0.118 62.963 63.200 -0.198 0.000 0.882 122 S HN 0.581 nan 8.310 nan 0.000 0.445 123 Y N 0.385 120.743 120.300 0.096 0.000 2.326 123 Y HA 0.522 5.071 4.550 -0.000 0.000 0.331 123 Y C -1.042 174.900 175.900 0.070 0.000 0.962 123 Y CA -0.869 57.284 58.100 0.089 0.000 1.167 123 Y CB 0.858 39.375 38.460 0.095 0.000 1.148 123 Y HN -0.050 nan 8.280 nan 0.000 0.463 124 L N 7.112 128.445 121.223 0.184 0.000 2.272 124 L HA 0.435 4.774 4.340 -0.000 0.000 0.284 124 L C -2.264 174.654 176.870 0.079 0.000 1.045 124 L CA -2.107 52.798 54.840 0.109 0.000 0.842 124 L CB 0.547 42.658 42.059 0.088 0.000 1.224 124 L HN 0.367 nan 8.230 nan 0.000 0.430 125 P HA 0.175 nan 4.420 nan 0.000 0.271 125 P C -0.542 176.648 177.300 -0.183 0.000 1.216 125 P CA -0.228 62.755 63.100 -0.194 0.000 0.771 125 P CB 0.947 32.189 31.700 -0.764 0.000 0.864 126 T N 3.497 117.998 114.554 -0.089 0.000 3.428 126 T HA 0.424 4.774 4.350 -0.000 0.000 0.301 126 T C -0.971 173.725 174.700 -0.007 0.000 1.323 126 T CA -0.310 61.748 62.100 -0.071 0.000 1.647 126 T CB -0.641 68.235 68.868 0.013 0.000 0.871 126 T HN 0.443 nan 8.240 nan 0.000 0.627 127 Y N -1.009 119.262 120.300 -0.047 0.000 2.641 127 Y HA 0.569 5.119 4.550 -0.000 0.000 0.333 127 Y C 0.577 176.471 175.900 -0.011 0.000 1.174 127 Y CA -2.047 56.026 58.100 -0.045 0.000 1.057 127 Y CB 0.729 39.201 38.460 0.020 0.000 1.322 127 Y HN 0.254 nan 8.280 nan 0.000 0.457 128 R N 0.540 121.138 120.500 0.163 0.000 3.383 128 R HA -0.352 3.988 4.340 -0.000 0.000 0.616 128 R C 1.066 177.323 176.300 -0.072 0.000 0.241 128 R CA 2.201 58.341 56.100 0.065 0.000 1.777 128 R CB -1.351 29.034 30.300 0.142 0.000 0.761 128 R HN 0.937 nan 8.270 nan 0.000 0.611 129 E N 2.199 122.259 120.200 -0.234 0.000 2.511 129 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 129 E C -0.141 176.240 176.600 -0.365 0.000 1.066 129 E CA 0.524 56.722 56.400 -0.336 0.000 0.871 129 E CB 0.033 29.421 29.700 -0.521 0.000 0.863 129 E HN 0.369 nan 8.360 nan 0.000 0.520 130 F N 0.355 120.244 119.950 -0.101 0.000 2.421 130 F HA 0.308 4.835 4.527 -0.000 0.000 0.337 130 F C -0.192 175.471 175.800 -0.229 0.000 1.105 130 F CA -1.000 56.934 58.000 -0.111 0.000 1.049 130 F CB 0.878 39.667 39.000 -0.351 0.000 1.139 130 F HN -0.179 nan 8.300 nan 0.000 0.479 131 Y N 0.564 120.934 120.300 0.118 0.000 2.666 131 Y HA 0.227 4.777 4.550 -0.000 0.000 0.264 131 Y C 1.092 177.018 175.900 0.043 0.000 1.054 131 Y CA -0.541 57.592 58.100 0.054 0.000 1.121 131 Y CB -0.026 38.443 38.460 0.016 0.000 1.190 131 Y HN 0.611 nan 8.280 nan 0.000 0.587 132 E N -0.312 119.972 120.200 0.140 0.000 2.216 132 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 132 E C 1.816 178.456 176.600 0.068 0.000 0.988 132 E CA 0.259 56.720 56.400 0.101 0.000 0.834 132 E CB 0.211 29.979 29.700 0.114 0.000 0.772 132 E HN 0.146 nan 8.360 nan 0.000 0.479 133 R N 1.090 121.628 120.500 0.063 0.000 2.193 133 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 133 R C 1.997 178.321 176.300 0.039 0.000 1.110 133 R CA 0.827 56.955 56.100 0.047 0.000 0.988 133 R CB -0.402 29.928 30.300 0.050 0.000 0.871 133 R HN 0.165 nan 8.270 nan 0.000 0.458 134 R N 0.247 120.783 120.500 0.062 0.000 2.090 134 R HA -0.118 4.222 4.340 -0.000 0.000 0.228 134 R C 1.272 177.585 176.300 0.021 0.000 1.110 134 R CA 1.463 57.596 56.100 0.054 0.000 0.973 134 R CB 0.231 30.590 30.300 0.099 0.000 0.869 134 R HN 0.130 nan 8.270 nan 0.000 0.440 135 Q N -0.968 118.841 119.800 0.015 0.000 2.349 135 Q HA 0.229 4.569 4.340 -0.000 0.000 0.209 135 Q C 0.088 176.069 176.000 -0.032 0.000 0.920 135 Q CA 0.658 56.455 55.803 -0.010 0.000 0.901 135 Q CB 0.708 29.437 28.738 -0.015 0.000 1.021 135 Q HN 0.156 nan 8.270 nan 0.000 0.519 136 M N -0.236 119.347 119.600 -0.029 0.000 2.535 136 M HA 0.620 5.100 4.480 -0.000 0.000 0.314 136 M C -1.247 174.988 176.300 -0.110 0.000 1.153 136 M CA -0.894 54.366 55.300 -0.066 0.000 0.924 136 M CB 2.229 34.826 32.600 -0.005 0.000 1.710 136 M HN 0.030 nan 8.290 nan 0.000 0.451 137 A N 3.561 126.211 122.820 -0.284 0.000 2.316 137 A HA 0.763 5.083 4.320 -0.000 0.000 0.284 137 A C -2.516 175.025 177.584 -0.072 0.000 1.115 137 A CA -1.506 50.359 52.037 -0.286 0.000 0.812 137 A CB -0.258 18.392 19.000 -0.584 0.000 1.064 137 A HN 0.484 nan 8.150 nan 0.000 0.489 138 P HA 0.070 nan 4.420 nan 0.000 0.268 138 P C 0.722 178.164 177.300 0.237 0.000 1.205 138 P CA 0.421 63.576 63.100 0.091 0.000 0.771 138 P CB 0.856 32.570 31.700 0.023 0.000 0.858 139 G N 2.043 110.930 108.800 0.145 0.000 2.880 139 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.209 139 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.209 139 G C 0.305 175.162 174.900 -0.072 0.000 1.157 139 G CA -0.118 45.018 45.100 0.060 0.000 0.779 139 G HN 0.635 nan 8.290 nan 0.000 0.539 140 D N 0.230 120.537 120.400 -0.155 0.000 2.455 140 D HA 0.268 4.908 4.640 -0.000 0.000 0.241 140 D C 1.219 177.467 176.300 -0.087 0.000 1.138 140 D CA 0.425 54.307 54.000 -0.196 0.000 0.877 140 D CB 0.997 41.583 40.800 -0.357 0.000 1.187 140 D HN 0.321 nan 8.370 nan 0.000 0.451 141 G N 1.807 110.558 108.800 -0.081 0.000 2.189 141 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.267 141 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.267 141 G C 0.051 174.934 174.900 -0.029 0.000 0.975 141 G CA 0.290 45.361 45.100 -0.049 0.000 0.644 141 G HN 0.647 nan 8.290 nan 0.000 0.537 142 E N 0.321 120.498 120.200 -0.039 0.000 2.289 142 E HA 0.612 4.962 4.350 -0.000 0.000 0.278 142 E C 0.943 177.529 176.600 -0.023 0.000 1.032 142 E CA -0.004 56.414 56.400 0.030 0.000 0.854 142 E CB 1.363 31.135 29.700 0.120 0.000 1.046 142 E HN 0.581 nan 8.360 nan 0.000 0.409 143 R N 0.006 120.547 120.500 0.068 0.000 3.328 143 R HA 0.672 5.012 4.340 -0.000 0.000 0.232 143 R C 0.293 176.672 176.300 0.131 0.000 1.606 143 R CA -0.078 56.040 56.100 0.030 0.000 1.025 143 R CB 1.050 31.338 30.300 -0.019 0.000 1.701 143 R HN 0.691 nan 8.270 nan 0.000 0.526 144 G N -0.098 108.743 108.800 0.068 0.000 2.584 144 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.229 144 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.229 144 G C -0.366 174.583 174.900 0.082 0.000 1.320 144 G CA -0.227 44.917 45.100 0.074 0.000 0.891 144 G HN 0.802 nan 8.290 nan 0.000 0.573 145 T N -2.260 112.319 114.554 0.042 0.000 2.841 145 T HA 0.801 5.151 4.350 -0.000 0.000 0.276 145 T C -0.118 174.498 174.700 -0.140 0.000 1.003 145 T CA -0.032 62.071 62.100 0.004 0.000 0.995 145 T CB 2.206 71.079 68.868 0.008 0.000 1.260 145 T HN 1.774 nan 8.240 nan 0.000 0.581 146 I N -0.191 120.299 120.570 -0.133 0.000 2.692 146 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 146 I C -0.994 175.077 176.117 -0.077 0.000 1.200 146 I CA -1.075 60.093 61.300 -0.219 0.000 1.036 146 I CB 2.070 39.836 38.000 -0.390 0.000 1.258 146 I HN 0.555 nan 8.210 nan 0.000 0.421 147 R N 7.570 128.043 120.500 -0.045 0.000 2.205 147 R HA 0.445 4.785 4.340 -0.000 0.000 0.342 147 R C -1.075 175.215 176.300 -0.017 0.000 1.058 147 R CA -0.564 55.524 56.100 -0.019 0.000 0.904 147 R CB 0.380 30.675 30.300 -0.008 0.000 1.089 147 R HN 0.404 nan 8.270 nan 0.000 0.471 148 I N 2.161 122.723 120.570 -0.013 0.000 2.362 148 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 148 I C 1.064 177.176 176.117 -0.009 0.000 0.994 148 I CA -0.959 60.335 61.300 -0.010 0.000 1.158 148 I CB 0.956 38.950 38.000 -0.009 0.000 1.315 148 I HN 0.705 nan 8.210 nan 0.000 0.451 149 G N 5.072 113.866 108.800 -0.009 0.000 2.142 149 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.255 149 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.255 149 G C 1.127 176.022 174.900 -0.007 0.000 0.803 149 G CA 1.057 46.151 45.100 -0.009 0.000 1.195 149 G HN 1.600 nan 8.290 nan 0.000 0.366 150 G N -1.001 107.796 108.800 -0.006 0.000 2.253 150 G HA2 0.182 4.142 3.960 -0.000 0.000 0.251 150 G HA3 0.182 4.142 3.960 -0.000 0.000 0.251 150 G C 0.644 175.543 174.900 -0.001 0.000 0.998 150 G CA 1.198 46.296 45.100 -0.004 0.000 0.621 150 G HN 2.387 nan 8.290 nan 0.000 0.524 151 A N -0.031 122.789 122.820 -0.001 0.000 2.380 151 A HA 0.692 5.012 4.320 -0.000 0.000 0.315 151 A C -0.816 176.769 177.584 0.002 0.000 1.101 151 A CA -0.377 51.663 52.037 0.003 0.000 0.771 151 A CB 1.133 20.137 19.000 0.008 0.000 1.287 151 A HN 0.184 nan 8.150 nan 0.000 0.436 152 D N 1.407 121.810 120.400 0.005 0.000 2.232 152 D HA 0.450 5.090 4.640 -0.000 0.000 0.242 152 D C -0.382 175.926 176.300 0.014 0.000 1.093 152 D CA 0.135 54.137 54.000 0.003 0.000 0.845 152 D CB 1.848 42.650 40.800 0.004 0.000 1.124 152 D HN 0.563 nan 8.370 nan 0.000 0.467 153 V N -1.334 118.589 119.914 0.016 0.000 3.007 153 V HA 0.784 4.904 4.120 -0.000 0.000 0.311 153 V C -0.189 175.938 176.094 0.055 0.000 1.120 153 V CA -1.152 61.172 62.300 0.039 0.000 0.980 153 V CB 1.588 33.437 31.823 0.044 0.000 1.033 153 V HN 0.587 nan 8.190 nan 0.000 0.429 154 A N 3.403 126.264 122.820 0.068 0.000 2.567 154 A HA 0.494 4.814 4.320 -0.000 0.000 0.240 154 A C -0.693 176.945 177.584 0.090 0.000 1.053 154 A CA 0.432 52.504 52.037 0.058 0.000 0.755 154 A CB -0.545 18.472 19.000 0.029 0.000 0.978 154 A HN 1.511 nan 8.150 nan 0.000 0.507 155 F N 2.367 122.248 119.950 -0.115 0.000 2.507 155 F HA 0.668 5.195 4.527 -0.000 0.000 0.325 155 F C 0.402 176.109 175.800 -0.156 0.000 1.116 155 F CA 0.617 58.508 58.000 -0.181 0.000 0.930 155 F CB 1.716 40.507 39.000 -0.348 0.000 1.146 155 F HN 1.187 nan 8.300 nan 0.000 0.447 156 G N 2.506 110.827 108.800 -0.798 0.000 2.361 156 G HA2 0.175 4.135 3.960 -0.000 0.000 0.305 156 G HA3 0.175 4.135 3.960 -0.000 0.000 0.305 156 G C 0.004 174.653 174.900 -0.419 0.000 1.367 156 G CA -0.171 44.537 45.100 -0.654 0.000 0.951 156 G HN 0.995 nan 8.290 nan 0.000 0.615 157 T N -2.368 111.999 114.554 -0.312 0.000 3.067 157 T HA 0.078 4.428 4.350 -0.000 0.000 0.261 157 T C 1.202 175.828 174.700 -0.122 0.000 1.110 157 T CA 1.723 63.722 62.100 -0.168 0.000 1.113 157 T CB -0.078 68.720 68.868 -0.116 0.000 0.917 157 T HN 0.706 nan 8.240 nan 0.000 0.499 158 D N 1.703 121.923 120.400 -0.301 0.000 2.519 158 D HA 0.132 4.772 4.640 -0.000 0.000 0.238 158 D C 0.177 176.345 176.300 -0.220 0.000 1.192 158 D CA -0.305 53.358 54.000 -0.561 0.000 0.835 158 D CB -0.610 39.782 40.800 -0.680 0.000 0.975 158 D HN 0.419 nan 8.370 nan 0.000 0.490 159 L N -0.256 120.926 121.223 -0.069 0.000 2.343 159 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 159 L C -0.433 176.316 176.870 -0.201 0.000 1.056 159 L CA -1.107 53.601 54.840 -0.221 0.000 0.804 159 L CB 1.349 43.144 42.059 -0.440 0.000 1.203 159 L HN -0.120 nan 8.230 nan 0.000 0.440 160 L N 2.891 123.865 121.223 -0.415 0.000 2.376 160 L HA 0.467 4.807 4.340 -0.000 0.000 0.275 160 L C -0.931 175.652 176.870 -0.478 0.000 0.987 160 L CA -0.195 54.479 54.840 -0.277 0.000 0.828 160 L CB 1.423 43.447 42.059 -0.059 0.000 1.249 160 L HN 0.239 nan 8.230 nan 0.000 0.409 161 F N 3.113 123.103 119.950 0.067 0.000 2.308 161 F HA 0.697 5.224 4.527 -0.000 0.000 0.370 161 F C 0.645 176.553 175.800 0.180 0.000 1.100 161 F CA -0.655 57.432 58.000 0.145 0.000 1.108 161 F CB 1.141 40.153 39.000 0.021 0.000 1.293 161 F HN 0.506 nan 8.300 nan 0.000 0.478 162 A N 2.314 125.214 122.820 0.133 0.000 2.304 162 A HA 0.817 5.137 4.320 -0.000 0.000 0.323 162 A C -0.235 176.943 177.584 -0.677 0.000 1.195 162 A CA -0.744 51.172 52.037 -0.202 0.000 0.826 162 A CB 0.597 19.515 19.000 -0.137 0.000 1.184 162 A HN 0.797 nan 8.150 nan 0.000 0.496 163 A N 2.232 124.539 122.820 -0.855 0.000 2.347 163 A HA 0.468 4.788 4.320 -0.000 0.000 0.287 163 A C 1.415 178.692 177.584 -0.510 0.000 1.199 163 A CA 0.234 51.613 52.037 -1.097 0.000 0.851 163 A CB -0.167 18.467 19.000 -0.611 0.000 1.118 163 A HN 1.878 nan 8.150 nan 0.000 0.525 164 S N 1.641 117.069 115.700 -0.453 0.000 2.419 164 S HA -0.178 4.292 4.470 -0.000 0.000 0.235 164 S C 0.776 175.286 174.600 -0.150 0.000 1.019 164 S CA 1.611 59.677 58.200 -0.223 0.000 0.982 164 S CB -0.257 62.852 63.200 -0.152 0.000 0.789 164 S HN 0.776 nan 8.310 nan 0.000 0.490 165 D N -0.114 120.195 120.400 -0.152 0.000 2.433 165 D HA 0.245 4.885 4.640 -0.000 0.000 0.211 165 D C 0.224 176.493 176.300 -0.051 0.000 1.114 165 D CA -0.307 53.644 54.000 -0.081 0.000 0.837 165 D CB -0.139 40.626 40.800 -0.059 0.000 0.984 165 D HN 0.484 nan 8.370 nan 0.000 0.505 166 L N 0.723 121.914 121.223 -0.052 0.000 2.480 166 L HA 0.338 4.678 4.340 -0.000 0.000 0.253 166 L C -2.156 174.730 176.870 0.026 0.000 1.324 166 L CA -1.722 53.134 54.840 0.028 0.000 0.916 166 L CB 2.019 44.156 42.059 0.129 0.000 1.160 166 L HN -0.316 nan 8.230 nan 0.000 0.503 167 P HA -0.130 nan 4.420 nan 0.000 0.218 167 P C 1.387 178.698 177.300 0.019 0.000 1.146 167 P CA 1.283 64.372 63.100 -0.018 0.000 0.813 167 P CB 0.247 31.935 31.700 -0.021 0.000 0.778 168 G N -2.097 106.735 108.800 0.053 0.000 2.650 168 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 168 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 168 G C 0.055 175.062 174.900 0.178 0.000 1.136 168 G CA -0.133 45.011 45.100 0.074 0.000 0.789 168 G HN 0.193 nan 8.290 nan 0.000 0.536 169 F N 2.679 122.634 119.950 0.009 0.000 2.351 169 F HA 0.532 5.059 4.527 -0.000 0.000 0.362 169 F C -0.464 175.375 175.800 0.065 0.000 1.131 169 F CA -2.167 55.865 58.000 0.054 0.000 1.187 169 F CB 0.769 39.821 39.000 0.086 0.000 1.434 169 F HN -0.190 nan 8.300 nan 0.000 0.553 170 V N 7.356 127.276 119.914 0.009 0.000 2.350 170 V HA 0.276 4.396 4.120 -0.000 0.000 0.285 170 V C -0.377 175.701 176.094 -0.027 0.000 1.014 170 V CA -0.983 61.257 62.300 -0.099 0.000 0.831 170 V CB 1.215 33.034 31.823 -0.008 0.000 1.000 170 V HN 0.511 nan 8.190 nan 0.000 0.433 171 L N 5.147 126.309 121.223 -0.102 0.000 2.290 171 L HA 0.472 4.812 4.340 -0.000 0.000 0.284 171 L C -0.143 176.900 176.870 0.288 0.000 1.078 171 L CA 0.473 55.387 54.840 0.124 0.000 0.815 171 L CB 0.397 42.508 42.059 0.086 0.000 1.162 171 L HN 0.760 nan 8.230 nan 0.000 0.435 172 H N 4.536 123.703 119.070 0.161 0.000 2.529 172 H HA 0.609 5.165 4.556 -0.000 0.000 0.348 172 H C -1.538 173.878 175.328 0.146 0.000 1.152 172 H CA -0.778 55.373 56.048 0.172 0.000 1.202 172 H CB 1.981 31.809 29.762 0.111 0.000 1.562 172 H HN 0.465 nan 8.280 nan 0.000 0.515 173 V N 5.050 124.647 119.914 -0.528 0.000 2.604 173 V HA 0.259 4.379 4.120 -0.000 0.000 0.305 173 V C -0.167 175.691 176.094 -0.393 0.000 1.043 173 V CA -0.598 61.511 62.300 -0.318 0.000 0.888 173 V CB 1.729 33.461 31.823 -0.151 0.000 0.995 173 V HN 0.893 nan 8.190 nan 0.000 0.429 174 E N 4.494 124.636 120.200 -0.097 0.000 2.446 174 E HA 0.781 5.131 4.350 -0.000 0.000 0.267 174 E C -1.575 175.069 176.600 0.074 0.000 0.955 174 E CA -1.055 55.370 56.400 0.043 0.000 0.842 174 E CB 2.850 32.680 29.700 0.217 0.000 1.504 174 E HN 0.436 nan 8.360 nan 0.000 0.438 175 I N 1.133 121.778 120.570 0.125 0.000 2.500 175 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 175 I C 0.451 176.665 176.117 0.162 0.000 1.063 175 I CA -0.790 60.575 61.300 0.109 0.000 1.062 175 I CB 1.445 39.498 38.000 0.088 0.000 1.223 175 I HN 0.963 nan 8.210 nan 0.000 0.435 176 C N 4.306 123.697 119.300 0.150 0.000 5.661 176 C HA -0.365 4.095 4.460 -0.000 0.000 0.319 176 C C 2.712 177.933 174.990 0.385 0.000 2.377 176 C CA 2.432 61.579 59.018 0.215 0.000 2.176 176 C CB -0.960 26.810 27.740 0.049 0.000 3.152 176 C HN 1.032 nan 8.230 nan 0.000 0.262 177 E N 0.703 121.037 120.200 0.222 0.000 2.265 177 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 177 E C 1.417 178.245 176.600 0.380 0.000 0.996 177 E CA 1.953 58.498 56.400 0.242 0.000 0.832 177 E CB -0.422 29.295 29.700 0.028 0.000 0.756 177 E HN 0.736 nan 8.360 nan 0.000 0.491 178 D N 0.036 120.644 120.400 0.346 0.000 2.158 178 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 178 D C 1.615 178.079 176.300 0.273 0.000 0.995 178 D CA 1.117 55.330 54.000 0.355 0.000 0.846 178 D CB -0.278 40.716 40.800 0.323 0.000 0.941 178 D HN 0.335 nan 8.370 nan 0.000 0.456 179 M N -0.766 119.004 119.600 0.285 0.000 2.686 179 M HA -0.058 4.422 4.480 -0.000 0.000 0.246 179 M C 0.266 176.476 176.300 -0.150 0.000 1.096 179 M CA 0.730 56.085 55.300 0.092 0.000 1.076 179 M CB -0.028 32.601 32.600 0.048 0.000 1.504 179 M HN -0.098 nan 8.290 nan 0.000 0.524 180 F N -0.999 118.955 119.950 0.007 0.000 2.746 180 F HA 0.163 4.690 4.527 -0.000 0.000 0.320 180 F C 0.594 176.346 175.800 -0.080 0.000 1.097 180 F CA -0.493 57.488 58.000 -0.032 0.000 1.195 180 F CB 0.334 39.329 39.000 -0.008 0.000 1.056 180 F HN -0.137 nan 8.300 nan 0.000 0.562 181 V N -2.338 117.585 119.914 0.014 0.000 2.716 181 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 181 V C -1.688 174.346 176.094 -0.101 0.000 1.053 181 V CA -1.952 60.274 62.300 -0.123 0.000 0.984 181 V CB 0.954 32.541 31.823 -0.393 0.000 1.021 181 V HN -0.189 nan 8.190 nan 0.000 0.467 182 P HA -0.151 nan 4.420 nan 0.000 0.215 182 P C 0.683 177.943 177.300 -0.067 0.000 1.163 182 P CA 1.630 64.687 63.100 -0.071 0.000 0.894 182 P CB 0.069 31.733 31.700 -0.061 0.000 0.791 183 M N -0.562 118.994 119.600 -0.072 0.000 2.901 183 M HA 0.302 4.782 4.480 -0.000 0.000 0.294 183 M C -2.520 173.769 176.300 -0.018 0.000 1.255 183 M CA -2.527 52.743 55.300 -0.050 0.000 1.274 183 M CB 0.802 33.379 32.600 -0.038 0.000 1.173 183 M HN -0.227 nan 8.290 nan 0.000 0.525 184 P HA 0.182 nan 4.420 nan 0.000 0.271 184 P C -2.296 175.073 177.300 0.116 0.000 1.218 184 P CA -1.062 62.075 63.100 0.063 0.000 0.780 184 P CB 0.037 31.773 31.700 0.060 0.000 0.901 185 P HA -0.240 nan 4.420 nan 0.000 0.218 185 P C 1.362 178.733 177.300 0.118 0.000 1.152 185 P CA 1.963 65.199 63.100 0.226 0.000 0.857 185 P CB -0.307 31.593 31.700 0.333 0.000 0.787 186 S N -1.467 114.312 115.700 0.132 0.000 2.446 186 S HA 0.096 4.566 4.470 -0.000 0.000 0.225 186 S C 2.037 176.609 174.600 -0.048 0.000 1.016 186 S CA 0.668 58.889 58.200 0.036 0.000 0.943 186 S CB -1.105 62.250 63.200 0.258 0.000 0.786 186 S HN 0.115 nan 8.310 nan 0.000 0.508 187 A N 2.553 125.368 122.820 -0.009 0.000 1.877 187 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 187 A C 2.140 179.648 177.584 -0.128 0.000 1.186 187 A CA 1.519 53.526 52.037 -0.050 0.000 0.620 187 A CB -0.700 18.272 19.000 -0.047 0.000 0.822 187 A HN 0.659 nan 8.150 nan 0.000 0.443 188 E N -0.036 120.101 120.200 -0.106 0.000 2.106 188 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 188 E C 2.162 178.532 176.600 -0.384 0.000 0.984 188 E CA 0.874 57.202 56.400 -0.120 0.000 0.806 188 E CB -0.301 29.469 29.700 0.116 0.000 0.750 188 E HN 0.604 nan 8.360 nan 0.000 0.458 189 A N 1.414 123.971 122.820 -0.439 0.000 2.015 189 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 189 A C 2.325 179.615 177.584 -0.490 0.000 1.163 189 A CA 1.390 52.947 52.037 -0.800 0.000 0.646 189 A CB -0.376 18.047 19.000 -0.962 0.000 0.806 189 A HN 0.281 nan 8.150 nan 0.000 0.448 190 A N -0.087 122.579 122.820 -0.258 0.000 1.874 190 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 190 A C 2.009 179.558 177.584 -0.059 0.000 1.189 190 A CA 1.072 53.081 52.037 -0.047 0.000 0.615 190 A CB -0.596 18.475 19.000 0.118 0.000 0.830 190 A HN 0.426 nan 8.150 nan 0.000 0.443 191 L N -0.655 120.407 121.223 -0.269 0.000 2.197 191 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 191 L C 2.804 179.542 176.870 -0.220 0.000 1.095 191 L CA 1.220 55.864 54.840 -0.326 0.000 0.764 191 L CB -0.451 41.414 42.059 -0.324 0.000 0.897 191 L HN 0.486 nan 8.230 nan 0.000 0.436 192 A N -1.239 121.367 122.820 -0.358 0.000 2.095 192 A HA 0.343 4.663 4.320 -0.000 0.000 0.212 192 A C 1.681 179.129 177.584 -0.226 0.000 1.162 192 A CA 0.985 52.780 52.037 -0.405 0.000 0.753 192 A CB 0.189 18.585 19.000 -1.008 0.000 0.840 192 A HN 0.474 nan 8.150 nan 0.000 0.468 193 G N -2.226 106.478 108.800 -0.161 0.000 2.456 193 G HA2 0.313 4.273 3.960 -0.000 0.000 0.208 193 G HA3 0.313 4.273 3.960 -0.000 0.000 0.208 193 G C 0.225 175.117 174.900 -0.013 0.000 1.004 193 G CA -0.012 45.068 45.100 -0.032 0.000 0.791 193 G HN 1.217 nan 8.290 nan 0.000 0.537 194 A N 0.733 123.527 122.820 -0.043 0.000 2.520 194 A HA 0.613 4.933 4.320 -0.000 0.000 0.245 194 A C 1.529 179.168 177.584 0.091 0.000 1.072 194 A CA 1.573 53.632 52.037 0.037 0.000 0.761 194 A CB 0.333 19.366 19.000 0.055 0.000 1.004 194 A HN 1.309 nan 8.150 nan 0.000 0.499 195 T N -0.474 114.156 114.554 0.127 0.000 3.038 195 T HA 0.240 4.590 4.350 -0.000 0.000 0.244 195 T C 0.277 175.081 174.700 0.173 0.000 1.016 195 T CA 0.587 62.771 62.100 0.141 0.000 1.098 195 T CB -0.130 68.822 68.868 0.140 0.000 0.954 195 T HN 0.355 nan 8.240 nan 0.000 0.469 196 V N 2.795 122.851 119.914 0.237 0.000 2.384 196 V HA 0.538 4.658 4.120 -0.000 0.000 0.287 196 V C -0.705 175.496 176.094 0.178 0.000 1.020 196 V CA -0.914 61.534 62.300 0.247 0.000 0.850 196 V CB 1.437 33.535 31.823 0.458 0.000 0.987 196 V HN 0.405 nan 8.190 nan 0.000 0.436 197 L N 4.606 125.853 121.223 0.041 0.000 2.333 197 L HA 0.852 5.192 4.340 -0.000 0.000 0.280 197 L C 0.205 176.885 176.870 -0.317 0.000 1.004 197 L CA -0.496 54.279 54.840 -0.108 0.000 0.820 197 L CB 1.832 43.764 42.059 -0.213 0.000 1.247 197 L HN 0.710 nan 8.230 nan 0.000 0.416 198 A N 3.205 125.913 122.820 -0.187 0.000 2.325 198 A HA 0.711 5.031 4.320 -0.000 0.000 0.333 198 A C -0.802 176.696 177.584 -0.143 0.000 1.155 198 A CA -0.562 51.387 52.037 -0.147 0.000 0.814 198 A CB 1.324 20.296 19.000 -0.046 0.000 1.206 198 A HN 0.687 nan 8.150 nan 0.000 0.482 199 N N 1.717 120.386 118.700 -0.052 0.000 2.454 199 N HA 0.421 5.161 4.740 -0.000 0.000 0.291 199 N C -2.142 173.323 175.510 -0.075 0.000 1.079 199 N CA -0.390 52.682 53.050 0.038 0.000 0.893 199 N CB 1.226 39.906 38.487 0.322 0.000 1.512 199 N HN 0.376 nan 8.380 nan 0.000 0.497 200 L N 1.928 123.115 121.223 -0.060 0.000 2.264 200 L HA 0.473 4.813 4.340 -0.000 0.000 0.289 200 L C 0.629 177.428 176.870 -0.119 0.000 1.044 200 L CA -0.167 54.617 54.840 -0.094 0.000 0.807 200 L CB 1.302 43.347 42.059 -0.024 0.000 1.192 200 L HN 0.366 nan 8.230 nan 0.000 0.425 201 S N 0.740 116.294 115.700 -0.243 0.000 2.621 201 S HA 0.721 5.191 4.470 -0.000 0.000 0.302 201 S C 0.756 175.276 174.600 -0.132 0.000 1.093 201 S CA -0.145 57.950 58.200 -0.175 0.000 1.017 201 S CB 1.845 64.917 63.200 -0.214 0.000 1.077 201 S HN 0.793 nan 8.310 nan 0.000 0.517 202 G N 0.431 109.099 108.800 -0.221 0.000 2.760 202 G HA2 0.215 4.175 3.960 -0.000 0.000 0.214 202 G HA3 0.215 4.175 3.960 -0.000 0.000 0.214 202 G C 0.247 175.192 174.900 0.074 0.000 1.212 202 G CA 0.552 45.470 45.100 -0.302 0.000 0.858 202 G HN 1.326 nan 8.290 nan 0.000 0.611 203 S N 0.990 116.706 115.700 0.027 0.000 3.625 203 S HA -0.093 4.377 4.470 -0.000 0.000 0.426 203 S C -2.290 172.421 174.600 0.185 0.000 0.884 203 S CA 0.394 58.697 58.200 0.171 0.000 1.322 203 S CB -1.239 62.087 63.200 0.209 0.000 0.905 203 S HN 0.258 nan 8.310 nan 0.000 0.586 204 P HA 0.328 nan 4.420 nan 0.000 0.268 204 P C 0.135 177.274 177.300 -0.269 0.000 1.208 204 P CA -0.478 62.256 63.100 -0.609 0.000 0.777 204 P CB 0.424 31.400 31.700 -1.206 0.000 0.875 205 I N 1.413 121.813 120.570 -0.283 0.000 2.385 205 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 205 I C -0.187 175.896 176.117 -0.057 0.000 0.988 205 I CA 0.418 61.664 61.300 -0.089 0.000 1.265 205 I CB 0.906 38.874 38.000 -0.052 0.000 1.388 205 I HN 0.175 nan 8.210 nan 0.000 0.480 206 T N 6.999 121.555 114.554 0.003 0.000 2.896 206 T HA 0.539 4.889 4.350 -0.000 0.000 0.297 206 T C -0.186 174.546 174.700 0.054 0.000 1.108 206 T CA -0.593 61.515 62.100 0.013 0.000 1.004 206 T CB 1.147 70.014 68.868 -0.002 0.000 1.159 206 T HN 0.409 nan 8.240 nan 0.000 0.499 207 I N 2.383 122.983 120.570 0.050 0.000 2.906 207 I HA 0.103 4.273 4.170 -0.000 0.000 0.302 207 I C 1.667 177.818 176.117 0.056 0.000 1.220 207 I CA 1.617 62.951 61.300 0.056 0.000 1.441 207 I CB 0.208 38.231 38.000 0.039 0.000 1.336 207 I HN 1.062 nan 8.210 nan 0.000 0.565 208 G N 4.900 113.737 108.800 0.062 0.000 2.245 208 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.264 208 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.264 208 G C 1.341 176.283 174.900 0.069 0.000 0.985 208 G CA 0.740 45.876 45.100 0.059 0.000 0.625 208 G HN 0.706 nan 8.290 nan 0.000 0.536 209 R N 0.864 121.409 120.500 0.075 0.000 2.105 209 R HA 0.160 4.500 4.340 -0.000 0.000 0.239 209 R C 3.029 179.386 176.300 0.095 0.000 1.135 209 R CA 2.323 58.479 56.100 0.093 0.000 0.967 209 R CB -0.477 29.876 30.300 0.088 0.000 0.861 209 R HN 0.742 nan 8.270 nan 0.000 0.442 210 A N 0.583 123.448 122.820 0.074 0.000 1.933 210 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 210 A C 1.999 179.609 177.584 0.043 0.000 1.175 210 A CA 1.543 53.612 52.037 0.054 0.000 0.628 210 A CB -0.547 18.483 19.000 0.051 0.000 0.814 210 A HN 0.557 nan 8.150 nan 0.000 0.444 211 E N -0.033 120.197 120.200 0.049 0.000 2.058 211 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 211 E C 1.283 177.892 176.600 0.015 0.000 0.997 211 E CA 1.579 57.999 56.400 0.033 0.000 0.801 211 E CB -0.131 29.590 29.700 0.035 0.000 0.746 211 E HN 0.602 nan 8.360 nan 0.000 0.450 212 D N 0.015 120.446 120.400 0.051 0.000 2.084 212 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 212 D C 2.113 178.436 176.300 0.038 0.000 0.990 212 D CA 0.894 54.941 54.000 0.079 0.000 0.826 212 D CB -0.373 40.542 40.800 0.192 0.000 0.971 212 D HN 0.164 nan 8.370 nan 0.000 0.453 213 R N 0.588 121.134 120.500 0.076 0.000 2.112 213 R HA -0.131 4.209 4.340 -0.000 0.000 0.242 213 R C 2.499 178.647 176.300 -0.254 0.000 1.137 213 R CA 1.435 57.509 56.100 -0.044 0.000 0.944 213 R CB -0.196 30.055 30.300 -0.082 0.000 0.857 213 R HN 0.182 nan 8.270 nan 0.000 0.435 214 R N 0.220 120.619 120.500 -0.169 0.000 2.075 214 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 214 R C 2.359 178.409 176.300 -0.418 0.000 1.126 214 R CA 1.059 57.036 56.100 -0.204 0.000 0.963 214 R CB -0.519 29.820 30.300 0.066 0.000 0.858 214 R HN 0.126 nan 8.270 nan 0.000 0.435 215 L N 1.116 122.174 121.223 -0.275 0.000 2.013 215 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 215 L C 1.876 178.516 176.870 -0.383 0.000 1.073 215 L CA 1.763 56.431 54.840 -0.286 0.000 0.753 215 L CB -0.431 41.532 42.059 -0.160 0.000 0.890 215 L HN 0.103 nan 8.230 nan 0.000 0.432 216 L N -0.492 120.482 121.223 -0.415 0.000 2.046 216 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 216 L C 2.627 179.091 176.870 -0.676 0.000 1.077 216 L CA 1.565 56.083 54.840 -0.537 0.000 0.747 216 L CB -0.863 40.749 42.059 -0.744 0.000 0.896 216 L HN 0.383 nan 8.230 nan 0.000 0.432 217 A N -0.504 121.842 122.820 -0.791 0.000 1.930 217 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 217 A C 2.403 179.347 177.584 -1.067 0.000 1.176 217 A CA 1.395 52.804 52.037 -1.046 0.000 0.632 217 A CB -0.466 18.053 19.000 -0.802 0.000 0.819 217 A HN 0.335 nan 8.150 nan 0.000 0.445 218 R N 0.561 120.275 120.500 -1.310 0.000 2.070 218 R HA -0.146 4.194 4.340 -0.000 0.000 0.233 218 R C 2.478 178.428 176.300 -0.582 0.000 1.137 218 R CA 2.293 57.605 56.100 -1.314 0.000 0.945 218 R CB -0.358 29.023 30.300 -1.531 0.000 0.845 218 R HN 0.601 nan 8.270 nan 0.000 0.430 219 S N 0.182 115.599 115.700 -0.473 0.000 2.383 219 S HA -0.040 4.430 4.470 -0.000 0.000 0.227 219 S C 2.159 176.637 174.600 -0.203 0.000 1.026 219 S CA 0.744 58.782 58.200 -0.270 0.000 0.981 219 S CB -0.349 62.713 63.200 -0.229 0.000 0.818 219 S HN 0.480 nan 8.310 nan 0.000 0.472 220 A N 3.001 125.652 122.820 -0.281 0.000 1.852 220 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 220 A C 2.631 180.219 177.584 0.007 0.000 1.215 220 A CA 3.116 55.067 52.037 -0.145 0.000 0.641 220 A CB -1.774 17.050 19.000 -0.293 0.000 0.838 220 A HN 1.040 nan 8.150 nan 0.000 0.450 221 S N -0.180 115.527 115.700 0.010 0.000 2.419 221 S HA 0.042 4.512 4.470 -0.000 0.000 0.235 221 S C 1.910 176.571 174.600 0.102 0.000 1.019 221 S CA 1.615 59.904 58.200 0.148 0.000 0.982 221 S CB -0.560 62.786 63.200 0.244 0.000 0.789 221 S HN 1.024 nan 8.310 nan 0.000 0.490 222 A N 1.728 124.567 122.820 0.032 0.000 1.887 222 A HA 0.277 4.597 4.320 -0.000 0.000 0.212 222 A C 2.318 179.939 177.584 0.060 0.000 1.198 222 A CA 0.735 52.795 52.037 0.039 0.000 0.628 222 A CB -0.534 18.463 19.000 -0.004 0.000 0.847 222 A HN 0.467 nan 8.150 nan 0.000 0.449 223 R N -1.136 119.392 120.500 0.046 0.000 2.120 223 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 223 R C 0.955 177.368 176.300 0.188 0.000 1.123 223 R CA 1.508 57.659 56.100 0.085 0.000 0.975 223 R CB -0.311 30.010 30.300 0.034 0.000 0.866 223 R HN 0.531 nan 8.270 nan 0.000 0.446 224 C N 0.614 120.035 119.300 0.202 0.000 2.688 224 C HA 0.263 4.723 4.460 -0.000 0.000 0.297 224 C C -0.239 174.944 174.990 0.321 0.000 1.308 224 C CA -0.741 58.480 59.018 0.339 0.000 1.726 224 C CB -0.894 26.984 27.740 0.229 0.000 1.982 224 C HN 0.485 nan 8.230 nan 0.000 0.604 225 L N 0.761 122.077 121.223 0.154 0.000 3.954 225 L HA -0.232 4.108 4.340 -0.000 0.000 0.462 225 L C 0.534 177.413 176.870 0.016 0.000 1.195 225 L CA 1.267 56.098 54.840 -0.015 0.000 0.739 225 L CB -2.199 39.668 42.059 -0.320 0.000 1.599 225 L HN 0.562 nan 8.230 nan 0.000 0.838 226 A N -1.076 121.808 122.820 0.107 0.000 2.532 226 A HA 0.965 5.285 4.320 -0.000 0.000 0.290 226 A C 0.083 177.767 177.584 0.166 0.000 1.143 226 A CA -0.197 51.920 52.037 0.132 0.000 0.728 226 A CB 1.181 20.283 19.000 0.169 0.000 1.317 226 A HN 0.876 nan 8.150 nan 0.000 0.414 227 A N -0.301 122.615 122.820 0.159 0.000 2.425 227 A HA 0.540 4.860 4.320 -0.000 0.000 0.249 227 A C -0.944 176.776 177.584 0.228 0.000 1.084 227 A CA 0.150 52.301 52.037 0.190 0.000 0.781 227 A CB -0.104 18.977 19.000 0.135 0.000 1.019 227 A HN 1.204 nan 8.150 nan 0.000 0.490 228 Y N 2.348 122.777 120.300 0.215 0.000 2.426 228 Y HA 0.449 4.999 4.550 -0.000 0.000 0.325 228 Y C -0.631 175.432 175.900 0.272 0.000 0.989 228 Y CA -0.495 57.743 58.100 0.230 0.000 1.284 228 Y CB 1.501 40.076 38.460 0.193 0.000 1.104 228 Y HN 0.457 nan 8.280 nan 0.000 0.481 229 V N 6.711 126.703 119.914 0.129 0.000 2.406 229 V HA 0.195 4.315 4.120 -0.000 0.000 0.272 229 V C -0.879 175.388 176.094 0.288 0.000 1.043 229 V CA -0.616 61.801 62.300 0.196 0.000 0.915 229 V CB 0.648 32.513 31.823 0.071 0.000 0.988 229 V HN 0.627 nan 8.190 nan 0.000 0.466 230 Y N 3.724 124.156 120.300 0.220 0.000 2.425 230 Y HA 0.756 5.306 4.550 -0.000 0.000 0.344 230 Y C -0.227 175.750 175.900 0.129 0.000 0.969 230 Y CA -0.833 57.406 58.100 0.233 0.000 1.052 230 Y CB 1.915 40.578 38.460 0.339 0.000 1.215 230 Y HN 0.722 nan 8.280 nan 0.000 0.451 231 A N 4.444 127.148 122.820 -0.192 0.000 2.385 231 A HA 0.870 5.190 4.320 -0.000 0.000 0.290 231 A C -1.399 176.050 177.584 -0.224 0.000 1.094 231 A CA -0.110 51.875 52.037 -0.086 0.000 0.729 231 A CB 0.429 19.386 19.000 -0.071 0.000 1.194 231 A HN 1.108 nan 8.150 nan 0.000 0.442 232 A N 1.515 124.326 122.820 -0.014 0.000 2.281 232 A HA 0.913 5.233 4.320 -0.000 0.000 0.329 232 A C 0.516 178.167 177.584 0.111 0.000 1.122 232 A CA -0.001 52.069 52.037 0.055 0.000 0.850 232 A CB 0.881 20.035 19.000 0.257 0.000 1.207 232 A HN 2.234 nan 8.150 nan 0.000 0.495 233 A N -0.378 122.518 122.820 0.127 0.000 2.302 233 A HA 0.703 5.023 4.320 -0.000 0.000 0.285 233 A C 0.707 178.378 177.584 0.146 0.000 1.105 233 A CA 0.352 52.442 52.037 0.089 0.000 0.816 233 A CB 0.405 19.372 19.000 -0.054 0.000 1.067 233 A HN 1.800 nan 8.150 nan 0.000 0.489 234 G N -0.287 108.545 108.800 0.054 0.000 3.382 234 G HA2 0.419 4.379 3.960 -0.000 0.000 0.183 234 G HA3 0.419 4.379 3.960 -0.000 0.000 0.183 234 G C -0.610 174.327 174.900 0.062 0.000 1.246 234 G CA -0.520 44.655 45.100 0.125 0.000 0.828 234 G HN 0.708 nan 8.290 nan 0.000 0.728 235 E N 0.885 121.145 120.200 0.100 0.000 2.415 235 E HA 0.369 4.719 4.350 -0.000 0.000 0.263 235 E C 0.894 177.507 176.600 0.021 0.000 0.995 235 E CA 1.045 57.529 56.400 0.140 0.000 0.915 235 E CB 0.924 30.753 29.700 0.214 0.000 0.951 235 E HN 1.014 nan 8.360 nan 0.000 0.449 236 G N 3.149 111.933 108.800 -0.027 0.000 2.339 236 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.209 236 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.209 236 G C 0.205 174.960 174.900 -0.242 0.000 1.015 236 G CA -0.496 44.472 45.100 -0.220 0.000 0.635 236 G HN 0.490 nan 8.290 nan 0.000 0.499 237 E N 1.409 121.381 120.200 -0.380 0.000 2.437 237 E HA 0.311 4.661 4.350 -0.000 0.000 0.263 237 E C 0.581 177.059 176.600 -0.203 0.000 1.030 237 E CA 0.426 56.472 56.400 -0.590 0.000 0.934 237 E CB 1.042 29.765 29.700 -1.630 0.000 0.943 237 E HN 0.276 nan 8.360 nan 0.000 0.444 238 S N 0.606 116.276 115.700 -0.050 0.000 2.549 238 S HA 0.008 4.478 4.470 -0.000 0.000 0.286 238 S C 0.807 175.628 174.600 0.369 0.000 1.314 238 S CA 0.118 58.398 58.200 0.134 0.000 1.062 238 S CB 0.181 63.442 63.200 0.102 0.000 0.865 238 S HN 0.538 nan 8.310 nan 0.000 0.498 239 T N 1.643 116.352 114.554 0.259 0.000 3.243 239 T HA 0.166 4.516 4.350 -0.000 0.000 0.264 239 T C 1.391 176.168 174.700 0.128 0.000 1.000 239 T CA -0.164 62.081 62.100 0.242 0.000 0.901 239 T CB -0.264 68.730 68.868 0.210 0.000 1.083 239 T HN 0.554 nan 8.240 nan 0.000 0.559 240 T N 2.019 116.640 114.554 0.111 0.000 2.699 240 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 240 T C 1.031 175.752 174.700 0.035 0.000 1.036 240 T CA 1.602 63.737 62.100 0.058 0.000 1.147 240 T CB -0.145 68.749 68.868 0.042 0.000 0.862 240 T HN 0.472 nan 8.240 nan 0.000 0.446 241 D N -0.326 120.098 120.400 0.040 0.000 2.538 241 D HA 0.342 4.982 4.640 -0.000 0.000 0.241 241 D C -0.288 175.982 176.300 -0.051 0.000 1.297 241 D CA 0.049 54.044 54.000 -0.009 0.000 0.804 241 D CB 1.052 41.835 40.800 -0.029 0.000 1.122 241 D HN 0.305 nan 8.370 nan 0.000 0.519 242 L N 0.178 121.369 121.223 -0.053 0.000 2.540 242 L HA 0.709 5.049 4.340 -0.000 0.000 0.256 242 L C -0.993 175.699 176.870 -0.297 0.000 1.001 242 L CA -1.113 53.585 54.840 -0.237 0.000 0.843 242 L CB 2.156 43.970 42.059 -0.408 0.000 1.436 242 L HN -0.220 nan 8.230 nan 0.000 0.410 243 A N 0.239 122.756 122.820 -0.505 0.000 2.356 243 A HA 0.907 5.227 4.320 -0.000 0.000 0.323 243 A C -2.093 175.013 177.584 -0.797 0.000 1.119 243 A CA -0.339 51.471 52.037 -0.379 0.000 0.790 243 A CB 0.940 19.906 19.000 -0.057 0.000 1.273 243 A HN 0.615 nan 8.150 nan 0.000 0.452 244 W N 0.196 121.571 121.300 0.124 0.000 2.844 244 W HA 0.525 5.185 4.660 -0.000 0.000 0.340 244 W C 0.008 176.510 176.519 -0.028 0.000 1.093 244 W CA -0.282 57.097 57.345 0.057 0.000 1.212 244 W CB 1.616 31.112 29.460 0.060 0.000 1.422 244 W HN 0.785 nan 8.180 nan 0.000 0.515 245 D N -0.750 119.643 120.400 -0.011 0.000 2.474 245 D HA 0.141 4.781 4.640 -0.000 0.000 0.213 245 D C 1.552 177.729 176.300 -0.206 0.000 1.120 245 D CA 0.321 54.027 54.000 -0.490 0.000 0.836 245 D CB 0.104 40.269 40.800 -1.059 0.000 1.019 245 D HN 0.720 nan 8.370 nan 0.000 0.507 246 G N 1.139 109.951 108.800 0.020 0.000 2.179 246 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.257 246 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.257 246 G C 0.074 175.012 174.900 0.064 0.000 1.010 246 G CA 0.515 45.654 45.100 0.064 0.000 0.736 246 G HN 0.670 nan 8.290 nan 0.000 0.513 247 Q N 0.773 120.613 119.800 0.067 0.000 2.330 247 Q HA 0.460 4.800 4.340 -0.000 0.000 0.279 247 Q C 0.703 176.828 176.000 0.209 0.000 1.024 247 Q CA 0.867 56.732 55.803 0.105 0.000 0.900 247 Q CB 0.357 29.156 28.738 0.102 0.000 1.221 247 Q HN 0.666 nan 8.270 nan 0.000 0.396 248 T N 1.589 116.240 114.554 0.162 0.000 2.906 248 T HA 0.774 5.124 4.350 -0.000 0.000 0.295 248 T C -0.463 174.323 174.700 0.144 0.000 1.061 248 T CA -0.963 61.264 62.100 0.211 0.000 1.000 248 T CB 1.261 70.195 68.868 0.109 0.000 1.103 248 T HN 0.639 nan 8.240 nan 0.000 0.486 249 M N 2.275 121.991 119.600 0.193 0.000 2.470 249 M HA 0.520 5.000 4.480 -0.000 0.000 0.285 249 M C -1.533 174.822 176.300 0.092 0.000 1.213 249 M CA -0.768 54.566 55.300 0.055 0.000 0.901 249 M CB 2.782 35.435 32.600 0.090 0.000 1.718 249 M HN 0.546 nan 8.290 nan 0.000 0.469 250 I N 1.250 121.768 120.570 -0.088 0.000 2.418 250 I HA 0.448 4.617 4.170 -0.000 0.000 0.287 250 I C -1.646 174.387 176.117 -0.140 0.000 1.008 250 I CA -0.293 61.007 61.300 -0.001 0.000 1.104 250 I CB 1.398 39.388 38.000 -0.017 0.000 1.264 250 I HN 0.644 nan 8.210 nan 0.000 0.438 251 W N 4.921 126.288 121.300 0.112 0.000 2.587 251 W HA 0.477 5.137 4.660 -0.000 0.000 0.324 251 W C -0.037 176.543 176.519 0.102 0.000 1.040 251 W CA -0.459 56.939 57.345 0.089 0.000 1.222 251 W CB 1.465 30.976 29.460 0.085 0.000 1.381 251 W HN 0.343 nan 8.180 nan 0.000 0.483 252 E N 3.072 123.447 120.200 0.291 0.000 2.145 252 E HA 0.103 4.453 4.350 -0.000 0.000 0.262 252 E C 0.188 176.908 176.600 0.199 0.000 0.883 252 E CA -0.430 56.093 56.400 0.205 0.000 0.748 252 E CB 0.649 30.424 29.700 0.125 0.000 1.140 252 E HN 0.536 nan 8.360 nan 0.000 0.417 253 N N 3.869 122.675 118.700 0.177 0.000 2.716 253 N HA -0.266 4.474 4.740 -0.000 0.000 0.250 253 N C 0.462 176.058 175.510 0.143 0.000 1.033 253 N CA 1.839 54.970 53.050 0.135 0.000 0.727 253 N CB -1.253 37.298 38.487 0.107 0.000 0.950 253 N HN 0.943 nan 8.380 nan 0.000 0.541 254 G N -2.774 106.133 108.800 0.178 0.000 2.217 254 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.246 254 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.246 254 G C 0.267 175.377 174.900 0.350 0.000 0.990 254 G CA 0.712 45.918 45.100 0.175 0.000 0.627 254 G HN 1.420 nan 8.290 nan 0.000 0.522 255 A N 0.531 123.547 122.820 0.328 0.000 2.306 255 A HA 0.757 5.077 4.320 -0.000 0.000 0.314 255 A C 0.328 178.013 177.584 0.168 0.000 1.164 255 A CA -0.436 51.743 52.037 0.237 0.000 0.822 255 A CB 0.958 20.027 19.000 0.117 0.000 1.130 255 A HN 0.927 nan 8.150 nan 0.000 0.496 256 L N 3.218 124.320 121.223 -0.202 0.000 2.315 256 L HA 0.123 4.463 4.340 -0.000 0.000 0.283 256 L C 0.029 176.680 176.870 -0.365 0.000 1.089 256 L CA -0.478 53.919 54.840 -0.737 0.000 0.833 256 L CB 0.838 42.374 42.059 -0.872 0.000 1.170 256 L HN 0.747 nan 8.230 nan 0.000 0.442 257 L N 5.012 126.051 121.223 -0.307 0.000 2.298 257 L HA 0.342 4.682 4.340 -0.000 0.000 0.209 257 L C 0.700 177.454 176.870 -0.194 0.000 1.084 257 L CA 0.742 55.474 54.840 -0.180 0.000 0.816 257 L CB -0.598 41.400 42.059 -0.102 0.000 0.967 257 L HN 0.697 nan 8.230 nan 0.000 0.460 258 A N -0.719 121.955 122.820 -0.244 0.000 2.608 258 A HA 0.681 5.001 4.320 -0.000 0.000 0.292 258 A C -1.209 176.249 177.584 -0.209 0.000 1.066 258 A CA -0.424 51.502 52.037 -0.186 0.000 0.676 258 A CB 1.468 20.394 19.000 -0.124 0.000 1.277 258 A HN 0.125 nan 8.150 nan 0.000 0.413 259 E N -0.294 119.820 120.200 -0.143 0.000 2.396 259 E HA 0.632 4.982 4.350 -0.000 0.000 0.280 259 E C -0.820 175.747 176.600 -0.054 0.000 1.065 259 E CA -0.289 56.048 56.400 -0.104 0.000 0.831 259 E CB 1.370 30.989 29.700 -0.135 0.000 1.272 259 E HN 1.196 nan 8.360 nan 0.000 0.443 260 S N 0.641 116.330 115.700 -0.018 0.000 2.704 260 S HA 0.356 4.826 4.470 -0.000 0.000 0.305 260 S C -0.065 174.543 174.600 0.014 0.000 1.107 260 S CA -0.929 57.270 58.200 -0.000 0.000 0.993 260 S CB 1.468 64.677 63.200 0.014 0.000 1.110 260 S HN 0.669 nan 8.310 nan 0.000 0.534 261 E N 0.873 121.088 120.200 0.025 0.000 2.493 261 E HA -0.010 4.340 4.350 -0.000 0.000 0.255 261 E C -0.131 176.501 176.600 0.053 0.000 0.999 261 E CA 0.047 56.475 56.400 0.047 0.000 0.934 261 E CB 0.337 30.070 29.700 0.055 0.000 0.940 261 E HN 0.413 nan 8.360 nan 0.000 0.473 262 R N 3.021 123.559 120.500 0.063 0.000 2.643 262 R HA 0.044 4.384 4.340 -0.000 0.000 0.270 262 R C -0.012 176.378 176.300 0.150 0.000 1.061 262 R CA -0.008 56.090 56.100 -0.004 0.000 1.107 262 R CB 0.210 30.504 30.300 -0.011 0.000 0.999 262 R HN 0.598 nan 8.270 nan 0.000 0.460 263 F N -0.798 119.204 119.950 0.087 0.000 2.983 263 F HA -0.168 4.359 4.527 -0.000 0.000 0.288 263 F C -1.742 174.100 175.800 0.070 0.000 0.980 263 F CA -0.354 57.696 58.000 0.084 0.000 0.965 263 F CB -1.804 37.236 39.000 0.068 0.000 0.967 263 F HN 0.455 nan 8.300 nan 0.000 0.800 264 P HA 0.145 nan 4.420 nan 0.000 0.276 264 P C -0.168 177.201 177.300 0.114 0.000 1.244 264 P CA -0.352 62.824 63.100 0.125 0.000 0.801 264 P CB 0.997 32.748 31.700 0.084 0.000 1.006 265 K N 1.592 122.041 120.400 0.082 0.000 2.250 265 K HA 0.512 4.832 4.320 -0.000 0.000 0.280 265 K C 0.600 177.217 176.600 0.029 0.000 1.098 265 K CA 0.185 56.505 56.287 0.054 0.000 0.916 265 K CB 0.045 32.568 32.500 0.039 0.000 1.209 265 K HN 0.936 nan 8.250 nan 0.000 0.461 266 G N 0.442 109.253 108.800 0.019 0.000 2.462 266 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.685 266 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.685 266 G C -0.602 174.321 174.900 0.038 0.000 1.295 266 G CA -0.599 44.500 45.100 -0.001 0.000 0.941 266 G HN 0.397 nan 8.290 nan 0.000 0.554 267 V N -1.495 118.446 119.914 0.046 0.000 2.686 267 V HA 0.887 5.007 4.120 -0.000 0.000 0.295 267 V C 0.266 176.398 176.094 0.063 0.000 1.055 267 V CA -0.631 61.716 62.300 0.080 0.000 1.050 267 V CB 1.389 33.280 31.823 0.114 0.000 0.984 267 V HN 0.953 nan 8.190 nan 0.000 0.482 268 R N 3.453 123.991 120.500 0.064 0.000 2.795 268 R HA 0.691 5.030 4.340 -0.000 0.000 0.275 268 R C -0.948 175.365 176.300 0.023 0.000 0.981 268 R CA -0.817 55.307 56.100 0.040 0.000 0.917 268 R CB 2.412 32.735 30.300 0.039 0.000 1.202 268 R HN 0.885 nan 8.270 nan 0.000 0.469 269 R N -0.036 120.465 120.500 0.002 0.000 2.575 269 R HA 0.412 4.752 4.340 -0.000 0.000 0.293 269 R C -0.752 175.532 176.300 -0.028 0.000 0.983 269 R CA -0.506 55.577 56.100 -0.028 0.000 0.887 269 R CB 2.248 32.524 30.300 -0.040 0.000 1.184 269 R HN 0.439 nan 8.270 nan 0.000 0.445 270 S N 1.941 117.622 115.700 -0.032 0.000 2.411 270 S HA 0.296 4.766 4.470 -0.000 0.000 0.294 270 S C -0.233 174.336 174.600 -0.052 0.000 1.115 270 S CA -0.686 57.489 58.200 -0.041 0.000 1.071 270 S CB 0.794 63.973 63.200 -0.034 0.000 0.967 270 S HN 0.249 nan 8.310 nan 0.000 0.488 271 V N 2.577 122.457 119.914 -0.057 0.000 2.459 271 V HA 0.921 5.041 4.120 -0.000 0.000 0.295 271 V C 0.163 176.211 176.094 -0.077 0.000 1.029 271 V CA -0.585 61.678 62.300 -0.061 0.000 0.874 271 V CB 1.199 32.990 31.823 -0.053 0.000 0.985 271 V HN 0.944 nan 8.190 nan 0.000 0.438 272 A N 2.887 125.658 122.820 -0.081 0.000 2.606 272 A HA 0.737 5.057 4.320 -0.000 0.000 0.293 272 A C -1.577 175.944 177.584 -0.105 0.000 1.082 272 A CA -0.681 51.297 52.037 -0.098 0.000 0.685 272 A CB 1.663 20.611 19.000 -0.087 0.000 1.284 272 A HN 0.659 nan 8.150 nan 0.000 0.408 273 D N 1.504 121.821 120.400 -0.137 0.000 2.396 273 D HA 0.406 5.046 4.640 -0.000 0.000 0.225 273 D C -0.277 176.058 176.300 0.059 0.000 1.121 273 D CA 0.212 54.136 54.000 -0.126 0.000 0.853 273 D CB 1.480 42.062 40.800 -0.364 0.000 1.043 273 D HN 0.197 nan 8.370 nan 0.000 0.500 274 V N 2.846 122.807 119.914 0.078 0.000 2.555 274 V HA -0.005 4.115 4.120 -0.000 0.000 0.286 274 V C 0.646 176.827 176.094 0.145 0.000 1.044 274 V CA -0.303 62.056 62.300 0.098 0.000 1.026 274 V CB 1.397 33.225 31.823 0.008 0.000 0.981 274 V HN 0.405 nan 8.190 nan 0.000 0.480 275 D N 3.724 124.160 120.400 0.059 0.000 2.393 275 D HA 0.073 4.713 4.640 -0.000 0.000 0.232 275 D C 1.385 177.535 176.300 -0.250 0.000 1.192 275 D CA 0.159 53.961 54.000 -0.329 0.000 0.882 275 D CB 1.503 42.121 40.800 -0.303 0.000 1.038 275 D HN 0.774 nan 8.370 nan 0.000 0.499 276 T N 0.522 114.914 114.554 -0.269 0.000 3.035 276 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 276 T C 1.267 175.895 174.700 -0.120 0.000 1.109 276 T CA 0.834 62.860 62.100 -0.125 0.000 1.119 276 T CB 0.046 68.875 68.868 -0.066 0.000 0.900 276 T HN 0.372 nan 8.240 nan 0.000 0.503 277 E N 0.493 120.569 120.200 -0.208 0.000 2.112 277 E HA 0.128 4.478 4.350 -0.000 0.000 0.190 277 E C 2.072 178.726 176.600 0.090 0.000 0.979 277 E CA 0.522 56.879 56.400 -0.071 0.000 0.814 277 E CB -0.212 29.384 29.700 -0.174 0.000 0.762 277 E HN 0.404 nan 8.360 nan 0.000 0.460 278 L N 1.144 122.359 121.223 -0.013 0.000 1.990 278 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 278 L C 2.208 179.018 176.870 -0.100 0.000 1.072 278 L CA 1.430 56.168 54.840 -0.170 0.000 0.755 278 L CB -0.145 41.770 42.059 -0.240 0.000 0.889 278 L HN 0.126 nan 8.230 nan 0.000 0.432 279 L N -0.862 120.323 121.223 -0.063 0.000 2.017 279 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 279 L C 2.785 179.622 176.870 -0.055 0.000 1.073 279 L CA 1.564 56.375 54.840 -0.048 0.000 0.745 279 L CB -0.718 41.328 42.059 -0.022 0.000 0.894 279 L HN 0.288 nan 8.230 nan 0.000 0.432 280 R N -0.084 120.401 120.500 -0.025 0.000 2.103 280 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 280 R C 2.364 178.668 176.300 0.006 0.000 1.142 280 R CA 2.040 58.136 56.100 -0.007 0.000 0.960 280 R CB -0.129 30.183 30.300 0.019 0.000 0.858 280 R HN 0.227 nan 8.270 nan 0.000 0.439 281 S N 0.082 115.807 115.700 0.041 0.000 2.414 281 S HA -0.019 4.451 4.470 -0.000 0.000 0.227 281 S C 1.489 176.121 174.600 0.053 0.000 1.022 281 S CA 0.547 58.791 58.200 0.074 0.000 0.958 281 S CB 0.055 63.322 63.200 0.113 0.000 0.797 281 S HN 0.336 nan 8.310 nan 0.000 0.493 282 E N 1.537 121.756 120.200 0.031 0.000 2.072 282 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 282 E C 2.201 178.739 176.600 -0.103 0.000 0.985 282 E CA 0.856 57.256 56.400 -0.000 0.000 0.801 282 E CB -0.155 29.543 29.700 -0.002 0.000 0.750 282 E HN 0.426 nan 8.360 nan 0.000 0.452 283 R N 0.409 120.801 120.500 -0.179 0.000 2.066 283 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 283 R C 2.635 178.878 176.300 -0.094 0.000 1.131 283 R CA 0.591 56.526 56.100 -0.276 0.000 0.955 283 R CB -0.409 29.701 30.300 -0.318 0.000 0.851 283 R HN 0.137 nan 8.270 nan 0.000 0.432 284 L N 0.466 121.670 121.223 -0.031 0.000 2.089 284 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 284 L C 2.291 179.177 176.870 0.027 0.000 1.079 284 L CA 1.846 56.696 54.840 0.017 0.000 0.758 284 L CB -0.197 41.885 42.059 0.040 0.000 0.891 284 L HN 0.245 nan 8.230 nan 0.000 0.433 285 R N -1.761 118.750 120.500 0.019 0.000 2.146 285 R HA 0.100 4.440 4.340 -0.000 0.000 0.206 285 R C 1.075 177.396 176.300 0.034 0.000 1.049 285 R CA -0.030 56.088 56.100 0.031 0.000 1.029 285 R CB 0.189 30.505 30.300 0.028 0.000 0.949 285 R HN 0.137 nan 8.270 nan 0.000 0.471 286 M N 1.336 120.950 119.600 0.023 0.000 2.557 286 M HA 0.099 4.579 4.480 -0.000 0.000 0.328 286 M C 0.539 176.900 176.300 0.102 0.000 1.423 286 M CA 0.025 55.357 55.300 0.054 0.000 1.418 286 M CB 1.111 33.736 32.600 0.042 0.000 1.381 286 M HN 0.273 nan 8.290 nan 0.000 0.467 287 G N 1.296 110.150 108.800 0.091 0.000 2.464 287 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 287 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 287 G C 1.258 176.229 174.900 0.119 0.000 1.138 287 G CA 1.060 46.220 45.100 0.099 0.000 0.793 287 G HN 0.743 nan 8.290 nan 0.000 0.539 288 T N -1.379 113.243 114.554 0.114 0.000 2.929 288 T HA -0.092 4.258 4.350 -0.000 0.000 0.271 288 T C 1.992 176.772 174.700 0.135 0.000 1.085 288 T CA 0.846 63.005 62.100 0.099 0.000 1.125 288 T CB -0.346 68.566 68.868 0.074 0.000 0.874 288 T HN 0.182 nan 8.240 nan 0.000 0.494 289 F N 2.712 122.675 119.950 0.022 0.000 2.026 289 F HA -0.111 4.416 4.527 -0.000 0.000 0.296 289 F C 2.208 178.022 175.800 0.025 0.000 1.133 289 F CA 2.020 60.034 58.000 0.023 0.000 1.188 289 F CB -0.475 38.539 39.000 0.024 0.000 0.968 289 F HN 0.125 nan 8.300 nan 0.000 0.476 290 D N 0.029 120.589 120.400 0.266 0.000 2.182 290 D HA -0.193 4.447 4.640 -0.000 0.000 0.201 290 D C 1.743 178.073 176.300 0.051 0.000 0.986 290 D CA 1.619 55.700 54.000 0.136 0.000 0.847 290 D CB -0.330 40.559 40.800 0.148 0.000 0.942 290 D HN 0.311 nan 8.370 nan 0.000 0.467 291 D N -0.452 119.980 120.400 0.053 0.000 2.117 291 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 291 D C 1.769 178.076 176.300 0.012 0.000 0.987 291 D CA 0.762 54.780 54.000 0.030 0.000 0.829 291 D CB -0.559 40.259 40.800 0.030 0.000 0.961 291 D HN 0.272 nan 8.370 nan 0.000 0.460 292 N N 1.059 119.748 118.700 -0.019 0.000 2.166 292 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 292 N C 1.720 177.246 175.510 0.027 0.000 1.019 292 N CA 0.959 53.996 53.050 -0.020 0.000 0.856 292 N CB 0.007 38.448 38.487 -0.076 0.000 0.993 292 N HN 0.066 nan 8.380 nan 0.000 0.426 293 R N 0.374 120.840 120.500 -0.057 0.000 2.083 293 R HA -0.054 4.286 4.340 -0.000 0.000 0.237 293 R C 2.021 178.331 176.300 0.017 0.000 1.137 293 R CA 1.412 57.491 56.100 -0.034 0.000 0.951 293 R CB -0.123 30.130 30.300 -0.079 0.000 0.851 293 R HN 0.250 nan 8.270 nan 0.000 0.434 294 R N -1.206 119.301 120.500 0.012 0.000 2.115 294 R HA -0.159 4.181 4.340 -0.000 0.000 0.230 294 R C 2.301 178.590 176.300 -0.017 0.000 1.111 294 R CA 1.688 57.790 56.100 0.004 0.000 0.976 294 R CB -0.490 29.816 30.300 0.011 0.000 0.870 294 R HN 0.471 nan 8.270 nan 0.000 0.445 295 H N 0.110 119.096 119.070 -0.138 0.000 2.353 295 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 295 H C 0.561 175.644 175.328 -0.409 0.000 1.090 295 H CA 1.355 57.237 56.048 -0.276 0.000 1.327 295 H CB 0.213 29.769 29.762 -0.343 0.000 1.383 295 H HN 0.198 nan 8.280 nan 0.000 0.508 296 H N 0.527 119.650 119.070 0.089 0.000 2.595 296 H HA 0.124 4.680 4.556 -0.000 0.000 0.264 296 H C 1.494 176.826 175.328 0.007 0.000 1.503 296 H CA -0.075 55.992 56.048 0.033 0.000 1.142 296 H CB 0.083 29.885 29.762 0.067 0.000 1.554 296 H HN 0.439 nan 8.280 nan 0.000 0.501 297 R N 1.219 121.726 120.500 0.012 0.000 2.066 297 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 297 R C 2.137 178.464 176.300 0.045 0.000 1.131 297 R CA 1.172 57.284 56.100 0.019 0.000 0.955 297 R CB 0.188 30.478 30.300 -0.016 0.000 0.851 297 R HN 0.276 nan 8.270 nan 0.000 0.432 298 E N 0.672 120.892 120.200 0.035 0.000 2.118 298 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 298 E C 1.818 178.465 176.600 0.078 0.000 0.992 298 E CA 1.066 57.492 56.400 0.043 0.000 0.804 298 E CB -0.052 29.662 29.700 0.023 0.000 0.741 298 E HN 0.305 nan 8.360 nan 0.000 0.458 299 L N 0.987 122.280 121.223 0.116 0.000 2.156 299 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 299 L C 2.540 179.580 176.870 0.283 0.000 1.095 299 L CA 2.216 57.154 54.840 0.164 0.000 0.770 299 L CB -0.691 41.474 42.059 0.176 0.000 0.914 299 L HN 0.347 nan 8.230 nan 0.000 0.439 300 T N -6.008 108.673 114.554 0.212 0.000 3.023 300 T HA 0.029 4.379 4.350 -0.000 0.000 0.249 300 T C 1.608 176.419 174.700 0.185 0.000 1.050 300 T CA 0.137 62.337 62.100 0.167 0.000 1.088 300 T CB -0.156 68.716 68.868 0.007 0.000 0.946 300 T HN 0.240 nan 8.240 nan 0.000 0.480 301 E N 1.951 122.233 120.200 0.137 0.000 2.274 301 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 301 E C 1.798 178.472 176.600 0.124 0.000 0.996 301 E CA 1.105 57.565 56.400 0.100 0.000 0.840 301 E CB 0.009 29.742 29.700 0.056 0.000 0.772 301 E HN 0.736 nan 8.360 nan 0.000 0.491 302 S N -0.064 115.730 115.700 0.157 0.000 2.605 302 S HA 0.079 4.549 4.470 -0.000 0.000 0.217 302 S C 0.333 174.971 174.600 0.064 0.000 0.958 302 S CA -0.432 57.815 58.200 0.078 0.000 0.919 302 S CB -0.226 62.981 63.200 0.012 0.000 0.780 302 S HN -0.056 nan 8.310 nan 0.000 0.507 303 F N 2.883 122.811 119.950 -0.035 0.000 2.459 303 F HA 0.428 4.955 4.527 -0.000 0.000 0.346 303 F C 1.299 177.060 175.800 -0.065 0.000 1.128 303 F CA -0.707 57.263 58.000 -0.051 0.000 1.268 303 F CB 0.534 39.502 39.000 -0.054 0.000 1.161 303 F HN -0.052 nan 8.300 nan 0.000 0.583 304 R N 1.547 122.062 120.500 0.025 0.000 2.500 304 R HA 0.564 4.904 4.340 -0.000 0.000 0.277 304 R C -0.478 175.792 176.300 -0.050 0.000 1.026 304 R CA -0.912 55.172 56.100 -0.025 0.000 1.058 304 R CB 1.292 31.548 30.300 -0.073 0.000 1.078 304 R HN 0.566 nan 8.270 nan 0.000 0.509 305 R N 3.313 123.778 120.500 -0.058 0.000 2.473 305 R HA 0.302 4.642 4.340 -0.000 0.000 0.303 305 R C -1.123 175.137 176.300 -0.068 0.000 1.002 305 R CA -0.524 55.530 56.100 -0.077 0.000 0.884 305 R CB 0.796 31.076 30.300 -0.034 0.000 1.173 305 R HN 0.449 nan 8.270 nan 0.000 0.464 306 I N 3.651 124.162 120.570 -0.097 0.000 2.336 306 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 306 I C -0.170 176.029 176.117 0.138 0.000 0.991 306 I CA -0.536 60.779 61.300 0.025 0.000 1.227 306 I CB 1.499 39.540 38.000 0.069 0.000 1.366 306 I HN 0.559 nan 8.210 nan 0.000 0.466 307 D N 6.839 127.313 120.400 0.124 0.000 2.181 307 D HA 0.630 5.270 4.640 -0.000 0.000 0.248 307 D C -0.699 175.725 176.300 0.206 0.000 1.020 307 D CA 0.058 54.104 54.000 0.077 0.000 0.891 307 D CB 2.386 43.177 40.800 -0.014 0.000 1.187 307 D HN 0.383 nan 8.370 nan 0.000 0.443 308 F N -1.318 118.617 119.950 -0.024 0.000 2.608 308 F HA 0.685 5.212 4.527 -0.000 0.000 0.309 308 F C -1.035 174.733 175.800 -0.053 0.000 1.103 308 F CA -1.461 56.514 58.000 -0.041 0.000 0.954 308 F CB 1.165 40.067 39.000 -0.164 0.000 1.267 308 F HN 0.262 nan 8.300 nan 0.000 0.444 309 A N 3.985 126.858 122.820 0.088 0.000 2.276 309 A HA 0.451 4.771 4.320 -0.000 0.000 0.300 309 A C 0.489 178.171 177.584 0.163 0.000 1.235 309 A CA -0.632 51.424 52.037 0.032 0.000 0.867 309 A CB 0.849 19.889 19.000 0.066 0.000 1.137 309 A HN 1.119 nan 8.150 nan 0.000 0.527 310 L N 1.774 123.044 121.223 0.078 0.000 2.307 310 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 310 L C 0.420 177.376 176.870 0.143 0.000 1.099 310 L CA 1.336 56.294 54.840 0.197 0.000 0.816 310 L CB -0.490 41.685 42.059 0.193 0.000 0.952 310 L HN 0.979 nan 8.230 nan 0.000 0.455 311 D N 1.363 121.793 120.400 0.051 0.000 2.810 311 D HA -0.132 4.508 4.640 -0.000 0.000 0.224 311 D C -1.923 174.324 176.300 -0.087 0.000 1.222 311 D CA 0.108 54.105 54.000 -0.006 0.000 0.698 311 D CB -0.102 40.719 40.800 0.036 0.000 0.961 311 D HN 0.311 nan 8.370 nan 0.000 0.403 312 P HA 0.310 nan 4.420 nan 0.000 0.275 312 P C -2.512 174.577 177.300 -0.353 0.000 1.266 312 P CA -1.095 61.711 63.100 -0.489 0.000 0.793 312 P CB -0.041 30.889 31.700 -1.283 0.000 1.074 313 P HA 0.085 nan 4.420 nan 0.000 0.271 313 P C 0.062 177.345 177.300 -0.028 0.000 1.216 313 P CA -0.000 63.042 63.100 -0.097 0.000 0.771 313 P CB 0.632 32.323 31.700 -0.015 0.000 0.864 314 A N 3.553 126.377 122.820 0.006 0.000 1.997 314 A HA 0.257 4.577 4.320 -0.000 0.000 0.212 314 A C 1.409 179.040 177.584 0.078 0.000 1.178 314 A CA 1.039 53.099 52.037 0.038 0.000 0.698 314 A CB -0.875 18.134 19.000 0.015 0.000 0.842 314 A HN 0.630 nan 8.150 nan 0.000 0.458 315 G N -0.407 108.441 108.800 0.080 0.000 2.529 315 G HA2 0.305 4.265 3.960 -0.000 0.000 0.277 315 G HA3 0.305 4.265 3.960 -0.000 0.000 0.277 315 G C -0.674 174.310 174.900 0.140 0.000 1.383 315 G CA 0.093 45.254 45.100 0.102 0.000 1.050 315 G HN 0.190 nan 8.290 nan 0.000 0.526 316 D N -0.136 120.351 120.400 0.145 0.000 2.325 316 D HA 0.149 4.789 4.640 -0.000 0.000 0.251 316 D C 1.020 177.398 176.300 0.131 0.000 1.196 316 D CA -0.366 53.738 54.000 0.173 0.000 0.866 316 D CB 0.411 41.302 40.800 0.152 0.000 1.101 316 D HN 0.335 nan 8.370 nan 0.000 0.476 317 I N 1.258 121.911 120.570 0.138 0.000 3.658 317 I HA 0.475 4.645 4.170 -0.000 0.000 0.328 317 I C 0.813 176.968 176.117 0.063 0.000 1.567 317 I CA -0.498 60.856 61.300 0.090 0.000 1.078 317 I CB 0.159 38.214 38.000 0.092 0.000 1.267 317 I HN 0.462 nan 8.210 nan 0.000 0.495 318 G N 2.433 111.301 108.800 0.114 0.000 2.601 318 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.261 318 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.261 318 G C -0.874 173.998 174.900 -0.046 0.000 1.289 318 G CA 0.113 45.272 45.100 0.098 0.000 0.920 318 G HN 0.485 nan 8.290 nan 0.000 0.571 319 L N -0.540 120.542 121.223 -0.234 0.000 2.555 319 L HA 0.429 4.769 4.340 -0.000 0.000 0.264 319 L C -0.564 176.085 176.870 -0.369 0.000 0.972 319 L CA -0.854 53.713 54.840 -0.455 0.000 0.876 319 L CB 1.333 42.837 42.059 -0.927 0.000 1.216 319 L HN 0.538 nan 8.230 nan 0.000 0.415 320 L N 5.393 126.436 121.223 -0.300 0.000 2.437 320 L HA 0.357 4.697 4.340 -0.000 0.000 0.243 320 L C 0.291 177.016 176.870 -0.241 0.000 1.346 320 L CA 0.631 55.337 54.840 -0.223 0.000 1.233 320 L CB -0.899 41.062 42.059 -0.163 0.000 1.436 320 L HN 0.510 nan 8.230 nan 0.000 0.416 321 R N 0.716 121.053 120.500 -0.272 0.000 2.604 321 R HA 0.237 4.577 4.340 -0.000 0.000 0.270 321 R C -0.636 175.544 176.300 -0.199 0.000 1.052 321 R CA -0.599 55.362 56.100 -0.233 0.000 0.902 321 R CB 1.852 31.971 30.300 -0.303 0.000 1.233 321 R HN 0.374 nan 8.270 nan 0.000 0.455 322 E N 4.192 124.303 120.200 -0.148 0.000 2.105 322 E HA 0.193 4.543 4.350 -0.000 0.000 0.285 322 E C -1.253 175.277 176.600 -0.117 0.000 1.055 322 E CA -0.390 55.926 56.400 -0.140 0.000 0.843 322 E CB 1.133 30.759 29.700 -0.124 0.000 1.067 322 E HN 0.233 nan 8.360 nan 0.000 0.398 323 V N 5.673 125.510 119.914 -0.129 0.000 2.311 323 V HA 0.128 4.248 4.120 -0.000 0.000 0.275 323 V C 0.222 176.241 176.094 -0.127 0.000 1.022 323 V CA -0.866 61.394 62.300 -0.067 0.000 0.830 323 V CB 1.068 32.897 31.823 0.010 0.000 1.012 323 V HN 0.706 nan 8.190 nan 0.000 0.452 324 E N 3.706 123.832 120.200 -0.125 0.000 2.481 324 E HA 0.026 4.376 4.350 -0.000 0.000 0.263 324 E C 0.955 177.422 176.600 -0.222 0.000 0.992 324 E CA 0.123 56.404 56.400 -0.198 0.000 0.938 324 E CB 1.094 30.695 29.700 -0.165 0.000 0.933 324 E HN 0.470 nan 8.360 nan 0.000 0.453 325 R N 1.128 121.288 120.500 -0.567 0.000 2.115 325 R HA -0.013 4.327 4.340 -0.000 0.000 0.226 325 R C 0.197 176.183 176.300 -0.523 0.000 1.100 325 R CA 0.881 56.367 56.100 -1.024 0.000 0.980 325 R CB 0.134 29.142 30.300 -2.152 0.000 0.875 325 R HN 0.299 nan 8.270 nan 0.000 0.445 326 F N -0.043 119.857 119.950 -0.082 0.000 2.532 326 F HA 0.315 4.842 4.527 -0.000 0.000 0.365 326 F C -1.852 173.862 175.800 -0.143 0.000 1.112 326 F CA -2.588 55.443 58.000 0.051 0.000 1.082 326 F CB 1.969 41.013 39.000 0.072 0.000 1.319 326 F HN -0.202 nan 8.300 nan 0.000 0.457 327 P HA -0.039 nan 4.420 nan 0.000 0.229 327 P C 0.856 177.700 177.300 -0.760 0.000 1.160 327 P CA 1.100 63.711 63.100 -0.815 0.000 0.777 327 P CB -0.023 30.673 31.700 -1.674 0.000 0.814 328 F N -1.532 118.337 119.950 -0.135 0.000 2.727 328 F HA 0.135 4.662 4.527 -0.000 0.000 0.302 328 F C 0.626 176.429 175.800 0.005 0.000 1.097 328 F CA 0.084 58.073 58.000 -0.018 0.000 1.330 328 F CB 0.177 39.213 39.000 0.059 0.000 1.084 328 F HN -0.362 nan 8.300 nan 0.000 0.578 329 V N 1.684 121.688 119.914 0.151 0.000 2.380 329 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 329 V C -2.502 173.578 176.094 -0.024 0.000 1.011 329 V CA -2.105 60.206 62.300 0.018 0.000 0.826 329 V CB 0.827 32.587 31.823 -0.105 0.000 1.040 329 V HN -0.154 nan 8.190 nan 0.000 0.441 330 P HA 0.123 nan 4.420 nan 0.000 0.264 330 P C 0.851 178.123 177.300 -0.046 0.000 1.193 330 P CA 0.297 63.373 63.100 -0.039 0.000 0.763 330 P CB 1.179 32.867 31.700 -0.020 0.000 0.810 331 A N 3.331 126.128 122.820 -0.039 0.000 1.930 331 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 331 A C 0.990 178.574 177.584 -0.000 0.000 1.175 331 A CA 0.937 52.961 52.037 -0.021 0.000 0.627 331 A CB -1.074 17.894 19.000 -0.052 0.000 0.815 331 A HN 0.545 nan 8.150 nan 0.000 0.443 332 D N -0.202 120.193 120.400 -0.009 0.000 2.451 332 D HA 0.140 4.780 4.640 -0.000 0.000 0.254 332 D C -1.558 174.755 176.300 0.021 0.000 1.204 332 D CA -1.211 52.793 54.000 0.006 0.000 0.896 332 D CB 0.814 41.614 40.800 0.001 0.000 1.136 332 D HN 0.049 nan 8.370 nan 0.000 0.499 333 P HA -0.182 nan 4.420 nan 0.000 0.216 333 P C 1.134 178.468 177.300 0.057 0.000 1.153 333 P CA 1.277 64.407 63.100 0.051 0.000 0.858 333 P CB 0.176 31.906 31.700 0.051 0.000 0.789 334 Q N -1.080 118.748 119.800 0.047 0.000 2.079 334 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 334 Q C 2.452 178.485 176.000 0.056 0.000 0.974 334 Q CA 1.294 57.127 55.803 0.051 0.000 0.840 334 Q CB -0.266 28.494 28.738 0.038 0.000 0.898 334 Q HN 0.050 nan 8.270 nan 0.000 0.430 335 R N -0.022 120.503 120.500 0.041 0.000 2.096 335 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 335 R C 2.179 178.505 176.300 0.044 0.000 1.127 335 R CA 1.041 57.164 56.100 0.038 0.000 0.968 335 R CB -0.219 30.094 30.300 0.021 0.000 0.861 335 R HN 0.233 nan 8.270 nan 0.000 0.440 336 L N 1.143 122.389 121.223 0.038 0.000 2.017 336 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 336 L C 2.436 179.353 176.870 0.079 0.000 1.073 336 L CA 1.844 56.703 54.840 0.031 0.000 0.745 336 L CB -0.683 41.377 42.059 0.002 0.000 0.894 336 L HN 0.219 nan 8.230 nan 0.000 0.432 337 Q N -0.398 119.485 119.800 0.138 0.000 2.077 337 Q HA -0.303 4.037 4.340 -0.000 0.000 0.206 337 Q C 2.275 178.389 176.000 0.189 0.000 0.989 337 Q CA 2.292 58.243 55.803 0.246 0.000 0.853 337 Q CB -0.303 28.573 28.738 0.230 0.000 0.907 337 Q HN 0.648 nan 8.270 nan 0.000 0.418 338 Q N 0.740 120.619 119.800 0.131 0.000 2.020 338 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 338 Q C 1.521 177.591 176.000 0.116 0.000 0.982 338 Q CA 2.218 58.102 55.803 0.135 0.000 0.838 338 Q CB -0.432 28.363 28.738 0.096 0.000 0.899 338 Q HN 0.378 nan 8.270 nan 0.000 0.423 339 D N -1.015 119.417 120.400 0.054 0.000 2.104 339 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 339 D C 1.950 178.204 176.300 -0.077 0.000 0.994 339 D CA 1.542 55.553 54.000 0.017 0.000 0.830 339 D CB -0.590 40.227 40.800 0.030 0.000 0.959 339 D HN 0.328 nan 8.370 nan 0.000 0.452 340 C N 0.129 119.326 119.300 -0.172 0.000 2.446 340 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 340 C C 2.459 176.931 174.990 -0.864 0.000 1.275 340 C CA -0.063 58.688 59.018 -0.445 0.000 1.727 340 C CB -1.151 26.317 27.740 -0.453 0.000 2.010 340 C HN 0.380 nan 8.230 nan 0.000 0.486 341 Y N 2.385 122.152 120.300 -0.888 0.000 2.069 341 Y HA -0.269 4.281 4.550 -0.000 0.000 0.278 341 Y C 2.257 177.985 175.900 -0.287 0.000 1.175 341 Y CA 2.237 59.953 58.100 -0.640 0.000 1.134 341 Y CB -0.602 37.810 38.460 -0.079 0.000 0.965 341 Y HN 0.444 nan 8.280 nan 0.000 0.498 342 E N 0.036 120.025 120.200 -0.352 0.000 2.028 342 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 342 E C 2.473 178.939 176.600 -0.224 0.000 0.984 342 E CA 0.845 57.051 56.400 -0.323 0.000 0.800 342 E CB -0.448 29.208 29.700 -0.074 0.000 0.758 342 E HN 0.544 nan 8.360 nan 0.000 0.448 343 A N 1.212 123.945 122.820 -0.145 0.000 1.884 343 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 343 A C 2.129 179.694 177.584 -0.032 0.000 1.197 343 A CA 1.922 53.920 52.037 -0.065 0.000 0.637 343 A CB -1.107 17.868 19.000 -0.042 0.000 0.827 343 A HN 0.431 nan 8.150 nan 0.000 0.450 344 Y N 1.229 121.392 120.300 -0.229 0.000 2.114 344 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 344 Y C 2.321 178.166 175.900 -0.092 0.000 1.165 344 Y CA 2.227 60.252 58.100 -0.125 0.000 1.148 344 Y CB -0.299 38.007 38.460 -0.257 0.000 0.972 344 Y HN 0.374 nan 8.280 nan 0.000 0.504 345 N N 0.047 118.621 118.700 -0.210 0.000 2.331 345 N HA -0.115 4.625 4.740 -0.000 0.000 0.180 345 N C 1.920 177.327 175.510 -0.173 0.000 1.019 345 N CA 1.370 54.277 53.050 -0.239 0.000 0.881 345 N CB -0.097 38.194 38.487 -0.326 0.000 0.972 345 N HN 0.417 nan 8.380 nan 0.000 0.435 346 I N 1.883 122.371 120.570 -0.136 0.000 2.142 346 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 346 I C 2.422 178.515 176.117 -0.040 0.000 1.078 346 I CA 1.308 62.568 61.300 -0.067 0.000 1.343 346 I CB -0.192 37.785 38.000 -0.039 0.000 1.046 346 I HN 0.127 nan 8.210 nan 0.000 0.405 347 Q N -0.103 119.670 119.800 -0.046 0.000 2.050 347 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 347 Q C 2.397 178.372 176.000 -0.043 0.000 0.980 347 Q CA 1.679 57.476 55.803 -0.009 0.000 0.840 347 Q CB -0.241 28.499 28.738 0.003 0.000 0.898 347 Q HN 0.388 nan 8.270 nan 0.000 0.424 348 V N 1.142 120.963 119.914 -0.156 0.000 2.270 348 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 348 V C 2.474 178.506 176.094 -0.104 0.000 1.043 348 V CA 2.063 64.266 62.300 -0.161 0.000 1.014 348 V CB -0.768 30.904 31.823 -0.252 0.000 0.645 348 V HN 0.474 nan 8.190 nan 0.000 0.447 349 S N 0.820 116.465 115.700 -0.092 0.000 2.383 349 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 349 S C 2.157 176.727 174.600 -0.050 0.000 1.026 349 S CA 1.220 59.379 58.200 -0.067 0.000 0.981 349 S CB -1.049 62.120 63.200 -0.052 0.000 0.818 349 S HN 0.545 nan 8.310 nan 0.000 0.472 350 G N 2.235 111.030 108.800 -0.009 0.000 2.513 350 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 350 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 350 G C 1.394 176.229 174.900 -0.109 0.000 1.160 350 G CA 1.092 46.222 45.100 0.050 0.000 0.767 350 G HN 0.459 nan 8.290 nan 0.000 0.571 351 L N 0.023 121.176 121.223 -0.118 0.000 2.072 351 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 351 L C 2.880 179.610 176.870 -0.233 0.000 1.079 351 L CA 1.545 56.220 54.840 -0.276 0.000 0.752 351 L CB -0.437 41.566 42.059 -0.094 0.000 0.906 351 L HN 0.367 nan 8.230 nan 0.000 0.436 352 E N -0.475 119.645 120.200 -0.134 0.000 2.097 352 E HA -0.343 4.007 4.350 -0.000 0.000 0.196 352 E C 1.986 178.518 176.600 -0.114 0.000 1.000 352 E CA 1.654 58.002 56.400 -0.087 0.000 0.804 352 E CB -0.044 29.618 29.700 -0.064 0.000 0.740 352 E HN 0.401 nan 8.360 nan 0.000 0.454 353 Q N 1.218 120.934 119.800 -0.139 0.000 2.020 353 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 353 Q C 2.046 177.925 176.000 -0.202 0.000 0.982 353 Q CA 1.795 57.513 55.803 -0.141 0.000 0.838 353 Q CB -0.208 28.471 28.738 -0.098 0.000 0.899 353 Q HN -0.021 nan 8.270 nan 0.000 0.423 354 R N 0.012 120.323 120.500 -0.314 0.000 2.103 354 R HA -0.086 4.254 4.340 -0.000 0.000 0.242 354 R C 2.149 178.293 176.300 -0.259 0.000 1.142 354 R CA 1.872 57.758 56.100 -0.357 0.000 0.960 354 R CB -0.824 29.039 30.300 -0.728 0.000 0.858 354 R HN 0.484 nan 8.270 nan 0.000 0.439 355 L N -0.430 120.656 121.223 -0.228 0.000 2.093 355 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 355 L C 2.623 179.299 176.870 -0.324 0.000 1.085 355 L CA 1.354 56.099 54.840 -0.159 0.000 0.755 355 L CB -0.398 41.656 42.059 -0.008 0.000 0.904 355 L HN 0.166 nan 8.230 nan 0.000 0.435 356 R N 0.128 120.411 120.500 -0.362 0.000 2.075 356 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 356 R C 2.398 178.440 176.300 -0.430 0.000 1.126 356 R CA 1.320 57.084 56.100 -0.561 0.000 0.963 356 R CB -0.408 29.721 30.300 -0.284 0.000 0.858 356 R HN 0.333 nan 8.270 nan 0.000 0.435 357 A N 0.725 123.383 122.820 -0.270 0.000 2.015 357 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 357 A C 1.756 179.232 177.584 -0.179 0.000 1.163 357 A CA 0.964 52.886 52.037 -0.190 0.000 0.646 357 A CB -0.126 18.793 19.000 -0.135 0.000 0.806 357 A HN 0.189 nan 8.150 nan 0.000 0.448 358 L N -0.870 120.231 121.223 -0.203 0.000 2.741 358 L HA 0.134 4.474 4.340 -0.000 0.000 0.237 358 L C 0.363 177.138 176.870 -0.157 0.000 1.178 358 L CA 0.198 54.947 54.840 -0.152 0.000 0.973 358 L CB -0.057 41.926 42.059 -0.128 0.000 1.255 358 L HN 0.375 nan 8.230 nan 0.000 0.498 359 D N 0.248 120.504 120.400 -0.241 0.000 2.870 359 D HA -0.308 4.332 4.640 -0.000 0.000 0.228 359 D C -0.653 175.596 176.300 -0.086 0.000 1.147 359 D CA 0.540 54.417 54.000 -0.205 0.000 0.757 359 D CB -1.098 39.652 40.800 -0.083 0.000 1.091 359 D HN 0.306 nan 8.370 nan 0.000 0.429 360 Y N -4.092 116.176 120.300 -0.054 0.000 3.004 360 Y HA -0.202 4.348 4.550 -0.000 0.000 0.160 360 Y C -1.573 174.297 175.900 -0.050 0.000 1.739 360 Y CA 0.161 58.229 58.100 -0.053 0.000 0.959 360 Y CB -2.114 36.321 38.460 -0.043 0.000 1.460 360 Y HN 0.190 nan 8.280 nan 0.000 0.385 361 P HA 0.167 nan 4.420 nan 0.000 0.277 361 P C 0.149 177.466 177.300 0.027 0.000 1.271 361 P CA -0.453 62.656 63.100 0.016 0.000 0.795 361 P CB 1.091 32.766 31.700 -0.042 0.000 1.101 362 K N -0.315 120.091 120.400 0.010 0.000 2.187 362 K HA 0.316 4.636 4.320 -0.000 0.000 0.247 362 K C -0.315 176.290 176.600 0.009 0.000 1.019 362 K CA -0.435 55.860 56.287 0.014 0.000 0.893 362 K CB 0.237 32.748 32.500 0.019 0.000 1.025 362 K HN 0.215 nan 8.250 nan 0.000 0.500 363 V N 1.880 121.806 119.914 0.019 0.000 2.444 363 V HA 0.200 4.320 4.120 -0.000 0.000 0.294 363 V C -0.407 175.717 176.094 0.049 0.000 1.022 363 V CA -0.908 61.406 62.300 0.023 0.000 0.850 363 V CB 1.816 33.651 31.823 0.021 0.000 0.992 363 V HN 0.393 nan 8.190 nan 0.000 0.426 364 V N 6.671 126.621 119.914 0.059 0.000 2.417 364 V HA 0.607 4.727 4.120 -0.000 0.000 0.291 364 V C -0.334 175.823 176.094 0.105 0.000 1.024 364 V CA -0.492 61.883 62.300 0.124 0.000 0.861 364 V CB 1.718 33.599 31.823 0.098 0.000 0.985 364 V HN 0.774 nan 8.190 nan 0.000 0.436 365 I N 3.221 123.888 120.570 0.161 0.000 2.644 365 I HA 0.748 4.918 4.170 -0.000 0.000 0.291 365 I C 0.355 176.563 176.117 0.152 0.000 1.180 365 I CA -0.383 60.984 61.300 0.110 0.000 1.040 365 I CB 1.849 39.888 38.000 0.065 0.000 1.255 365 I HN 0.707 nan 8.210 nan 0.000 0.422 366 G N 7.007 115.873 108.800 0.109 0.000 2.349 366 G HA2 0.497 4.457 3.960 -0.000 0.000 0.281 366 G HA3 0.497 4.457 3.960 -0.000 0.000 0.281 366 G C -0.554 174.396 174.900 0.084 0.000 1.182 366 G CA -0.298 44.864 45.100 0.103 0.000 0.899 366 G HN 0.731 nan 8.290 nan 0.000 0.455 367 V N 1.259 121.235 119.914 0.104 0.000 2.409 367 V HA 0.680 4.800 4.120 -0.000 0.000 0.291 367 V C 0.580 176.731 176.094 0.094 0.000 1.020 367 V CA -0.057 62.301 62.300 0.096 0.000 0.848 367 V CB 1.264 33.160 31.823 0.122 0.000 0.990 367 V HN 0.783 nan 8.190 nan 0.000 0.430 368 S N 2.070 117.807 115.700 0.062 0.000 2.520 368 S HA 0.502 4.972 4.470 -0.000 0.000 0.219 368 S C 1.529 176.153 174.600 0.040 0.000 1.028 368 S CA 0.716 58.946 58.200 0.050 0.000 0.921 368 S CB 0.724 63.946 63.200 0.036 0.000 0.844 368 S HN 2.443 nan 8.310 nan 0.000 0.495 369 G N 0.683 109.502 108.800 0.031 0.000 2.195 369 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.224 369 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.224 369 G C 0.468 175.376 174.900 0.015 0.000 0.990 369 G CA -0.206 44.903 45.100 0.014 0.000 0.639 369 G HN 1.042 nan 8.290 nan 0.000 0.514 370 G N -0.388 108.426 108.800 0.024 0.000 2.572 370 G HA2 0.555 4.515 3.960 -0.000 0.000 0.261 370 G HA3 0.555 4.515 3.960 -0.000 0.000 0.261 370 G C 1.159 176.072 174.900 0.021 0.000 1.197 370 G CA -0.074 45.040 45.100 0.025 0.000 0.870 370 G HN 0.364 nan 8.290 nan 0.000 0.548 371 L N 0.464 121.695 121.223 0.013 0.000 2.012 371 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 371 L C 2.498 179.394 176.870 0.043 0.000 1.073 371 L CA 1.737 56.584 54.840 0.011 0.000 0.748 371 L CB -0.584 41.462 42.059 -0.021 0.000 0.891 371 L HN 0.484 nan 8.230 nan 0.000 0.431 372 D N -0.949 119.470 120.400 0.032 0.000 2.084 372 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 372 D C 2.369 178.715 176.300 0.076 0.000 0.990 372 D CA 1.723 55.753 54.000 0.050 0.000 0.826 372 D CB -0.186 40.627 40.800 0.021 0.000 0.971 372 D HN 0.417 nan 8.370 nan 0.000 0.453 373 S N -1.090 114.642 115.700 0.054 0.000 2.436 373 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 373 S C 1.989 176.615 174.600 0.043 0.000 1.014 373 S CA 0.881 59.109 58.200 0.048 0.000 0.950 373 S CB -0.359 62.867 63.200 0.043 0.000 0.784 373 S HN 0.078 nan 8.310 nan 0.000 0.504 374 T N 1.860 116.442 114.554 0.047 0.000 2.643 374 T HA -0.164 4.186 4.350 -0.000 0.000 0.264 374 T C 1.684 176.416 174.700 0.053 0.000 1.045 374 T CA 1.637 63.757 62.100 0.033 0.000 1.155 374 T CB -0.786 68.101 68.868 0.032 0.000 0.863 374 T HN 0.618 nan 8.240 nan 0.000 0.420 375 H N 0.903 119.983 119.070 0.016 0.000 2.353 375 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 375 H C 2.337 177.708 175.328 0.072 0.000 1.103 375 H CA 1.598 57.677 56.048 0.051 0.000 1.293 375 H CB -0.173 29.623 29.762 0.057 0.000 1.372 375 H HN 0.361 nan 8.280 nan 0.000 0.501 376 A N 1.420 124.230 122.820 -0.016 0.000 1.933 376 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 376 A C 2.694 180.248 177.584 -0.050 0.000 1.175 376 A CA 0.983 52.994 52.037 -0.044 0.000 0.628 376 A CB -0.780 18.236 19.000 0.025 0.000 0.814 376 A HN 0.493 nan 8.150 nan 0.000 0.444 377 L N -0.329 120.872 121.223 -0.037 0.000 2.056 377 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 377 L C 2.303 179.131 176.870 -0.069 0.000 1.078 377 L CA 1.238 56.055 54.840 -0.038 0.000 0.749 377 L CB -0.341 41.696 42.059 -0.038 0.000 0.901 377 L HN 0.293 nan 8.230 nan 0.000 0.433 378 I N -0.405 120.097 120.570 -0.114 0.000 2.091 378 I HA -0.294 3.876 4.170 -0.000 0.000 0.239 378 I C 2.686 178.846 176.117 0.071 0.000 1.061 378 I CA 1.330 62.557 61.300 -0.120 0.000 1.317 378 I CB -1.364 36.577 38.000 -0.099 0.000 1.031 378 I HN 0.100 nan 8.210 nan 0.000 0.401 379 V N 1.470 121.368 119.914 -0.025 0.000 2.278 379 V HA -0.333 3.787 4.120 -0.000 0.000 0.251 379 V C 2.821 178.938 176.094 0.037 0.000 1.062 379 V CA 2.167 64.452 62.300 -0.025 0.000 1.038 379 V CB -1.277 30.462 31.823 -0.140 0.000 0.646 379 V HN 0.523 nan 8.190 nan 0.000 0.447 380 A N -0.656 122.176 122.820 0.021 0.000 1.933 380 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 380 A C 2.379 180.000 177.584 0.062 0.000 1.175 380 A CA 2.433 54.488 52.037 0.030 0.000 0.628 380 A CB -0.872 18.140 19.000 0.020 0.000 0.814 380 A HN 0.533 nan 8.150 nan 0.000 0.444 381 T N -1.412 113.202 114.554 0.099 0.000 2.737 381 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 381 T C 1.934 176.797 174.700 0.271 0.000 1.038 381 T CA 1.728 63.923 62.100 0.157 0.000 1.144 381 T CB -0.435 68.512 68.868 0.131 0.000 0.866 381 T HN 0.699 nan 8.240 nan 0.000 0.434 382 H N 1.720 120.942 119.070 0.254 0.000 2.319 382 H HA 0.060 4.616 4.556 -0.000 0.000 0.299 382 H C 2.260 177.630 175.328 0.070 0.000 1.092 382 H CA 1.545 57.722 56.048 0.215 0.000 1.302 382 H CB -0.724 29.193 29.762 0.258 0.000 1.373 382 H HN 0.312 nan 8.280 nan 0.000 0.497 383 A N 0.631 123.443 122.820 -0.014 0.000 1.892 383 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 383 A C 2.430 179.975 177.584 -0.065 0.000 1.188 383 A CA 2.165 54.149 52.037 -0.089 0.000 0.631 383 A CB -0.538 18.434 19.000 -0.047 0.000 0.822 383 A HN 0.417 nan 8.150 nan 0.000 0.447 384 M N -0.473 119.117 119.600 -0.016 0.000 2.132 384 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 384 M C 1.582 177.853 176.300 -0.047 0.000 1.065 384 M CA 1.423 56.706 55.300 -0.027 0.000 1.122 384 M CB -1.502 31.097 32.600 -0.002 0.000 1.365 384 M HN 0.340 nan 8.290 nan 0.000 0.411 385 D N 0.341 120.736 120.400 -0.008 0.000 2.092 385 D HA -0.138 4.502 4.640 -0.000 0.000 0.193 385 D C 2.131 178.383 176.300 -0.079 0.000 0.994 385 D CA 1.235 55.228 54.000 -0.013 0.000 0.828 385 D CB -0.312 40.529 40.800 0.068 0.000 0.963 385 D HN 0.325 nan 8.370 nan 0.000 0.450 386 R N 0.393 120.795 120.500 -0.164 0.000 2.193 386 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 386 R C 1.323 177.563 176.300 -0.101 0.000 1.110 386 R CA 0.731 56.727 56.100 -0.173 0.000 0.988 386 R CB 0.077 30.201 30.300 -0.293 0.000 0.871 386 R HN 0.204 nan 8.270 nan 0.000 0.458 387 E N -0.591 119.553 120.200 -0.094 0.000 2.474 387 E HA 0.069 4.418 4.350 -0.000 0.000 0.195 387 E C 0.761 177.251 176.600 -0.183 0.000 1.039 387 E CA 0.386 56.731 56.400 -0.092 0.000 0.881 387 E CB 0.888 30.569 29.700 -0.032 0.000 0.970 387 E HN 0.450 nan 8.360 nan 0.000 0.486 388 G N 2.544 111.259 108.800 -0.141 0.000 2.221 388 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 388 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 388 G C 0.093 174.876 174.900 -0.194 0.000 1.041 388 G CA 0.059 45.074 45.100 -0.141 0.000 0.807 388 G HN 0.011 nan 8.290 nan 0.000 0.502 389 R N 0.286 120.667 120.500 -0.197 0.000 2.407 389 R HA 0.435 4.775 4.340 -0.000 0.000 0.303 389 R C -2.274 173.966 176.300 -0.099 0.000 0.981 389 R CA -1.929 54.052 56.100 -0.198 0.000 0.905 389 R CB 1.347 31.515 30.300 -0.220 0.000 1.099 389 R HN 0.195 nan 8.270 nan 0.000 0.459 390 P HA 0.169 nan 4.420 nan 0.000 0.271 390 P C 0.181 177.465 177.300 -0.025 0.000 1.216 390 P CA -0.186 62.888 63.100 -0.043 0.000 0.771 390 P CB 0.870 32.546 31.700 -0.040 0.000 0.864 391 R N 1.603 122.099 120.500 -0.006 0.000 2.120 391 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 391 R C 2.199 178.496 176.300 -0.005 0.000 1.123 391 R CA 1.950 58.053 56.100 0.006 0.000 0.975 391 R CB -0.497 29.818 30.300 0.024 0.000 0.866 391 R HN 0.631 nan 8.270 nan 0.000 0.446 392 S N 0.305 115.999 115.700 -0.011 0.000 2.500 392 S HA -0.110 4.360 4.470 -0.000 0.000 0.239 392 S C 1.017 175.605 174.600 -0.020 0.000 0.989 392 S CA 1.282 59.472 58.200 -0.017 0.000 0.951 392 S CB 0.025 63.216 63.200 -0.016 0.000 0.759 392 S HN 0.174 nan 8.310 nan 0.000 0.523 393 D N 1.049 121.440 120.400 -0.016 0.000 2.347 393 D HA 0.262 4.902 4.640 -0.000 0.000 0.213 393 D C 0.106 176.403 176.300 -0.005 0.000 0.985 393 D CA 0.205 54.199 54.000 -0.011 0.000 0.879 393 D CB -0.155 40.637 40.800 -0.013 0.000 0.919 393 D HN 0.490 nan 8.370 nan 0.000 0.526 394 I N 1.324 121.889 120.570 -0.009 0.000 2.416 394 I HA 0.077 4.247 4.170 -0.000 0.000 0.288 394 I C -0.012 176.080 176.117 -0.041 0.000 1.051 394 I CA -0.065 61.229 61.300 -0.009 0.000 1.375 394 I CB 0.975 38.973 38.000 -0.004 0.000 1.407 394 I HN -0.240 nan 8.210 nan 0.000 0.516 395 L N 7.483 128.681 121.223 -0.042 0.000 2.356 395 L HA 0.542 4.882 4.340 -0.000 0.000 0.264 395 L C 0.207 176.913 176.870 -0.274 0.000 1.029 395 L CA -0.503 54.239 54.840 -0.162 0.000 0.897 395 L CB 0.812 42.880 42.059 0.015 0.000 1.256 395 L HN 0.649 nan 8.230 nan 0.000 0.444 396 A N 3.040 125.660 122.820 -0.333 0.000 2.331 396 A HA 0.756 5.076 4.320 -0.000 0.000 0.283 396 A C -0.920 176.307 177.584 -0.595 0.000 1.142 396 A CA -0.035 51.873 52.037 -0.215 0.000 0.812 396 A CB 0.244 19.261 19.000 0.027 0.000 1.074 396 A HN 0.492 nan 8.150 nan 0.000 0.497 397 F N 1.237 121.111 119.950 -0.127 0.000 2.518 397 F HA 0.568 5.095 4.527 -0.000 0.000 0.323 397 F C 0.644 176.343 175.800 -0.168 0.000 1.129 397 F CA -0.320 57.526 58.000 -0.258 0.000 0.920 397 F CB 2.135 41.025 39.000 -0.184 0.000 1.160 397 F HN 0.705 nan 8.300 nan 0.000 0.440 398 A N 4.385 127.143 122.820 -0.104 0.000 2.331 398 A HA 0.757 5.077 4.320 -0.000 0.000 0.283 398 A C -0.598 176.980 177.584 -0.011 0.000 1.142 398 A CA -0.400 51.663 52.037 0.043 0.000 0.812 398 A CB 0.304 19.400 19.000 0.160 0.000 1.074 398 A HN 0.868 nan 8.150 nan 0.000 0.497 399 L N 4.418 125.630 121.223 -0.019 0.000 2.594 399 L HA 0.284 4.624 4.340 -0.000 0.000 0.245 399 L C -2.372 174.436 176.870 -0.104 0.000 1.460 399 L CA -1.439 53.347 54.840 -0.089 0.000 0.865 399 L CB 1.242 43.246 42.059 -0.092 0.000 1.131 399 L HN 0.490 nan 8.230 nan 0.000 0.506 400 P HA 0.246 nan 4.420 nan 0.000 0.276 400 P C -0.044 177.149 177.300 -0.178 0.000 1.230 400 P CA 0.228 63.270 63.100 -0.097 0.000 0.776 400 P CB 1.901 33.569 31.700 -0.053 0.000 0.888 401 G N 2.091 110.760 108.800 -0.217 0.000 2.600 401 G HA2 0.622 4.581 3.960 -0.000 0.000 0.303 401 G HA3 0.622 4.581 3.960 -0.000 0.000 0.303 401 G C -0.599 174.151 174.900 -0.249 0.000 1.253 401 G CA -1.106 43.746 45.100 -0.413 0.000 0.974 401 G HN 0.344 nan 8.290 nan 0.000 0.483 410 N N 1.904 120.590 118.700 -0.023 0.000 2.381 410 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 410 N C 1.522 176.982 175.510 -0.084 0.000 1.025 410 N CA 1.695 54.712 53.050 -0.054 0.000 0.888 410 N CB -0.875 37.587 38.487 -0.042 0.000 0.965 410 N HN 0.200 nan 8.380 nan 0.000 0.438 411 N N 0.563 119.227 118.700 -0.061 0.000 2.188 411 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 411 N C 2.251 177.704 175.510 -0.094 0.000 1.018 411 N CA 1.349 54.358 53.050 -0.069 0.000 0.858 411 N CB -0.433 38.028 38.487 -0.043 0.000 0.989 411 N HN 0.620 nan 8.380 nan 0.000 0.426 412 A N 1.194 123.966 122.820 -0.079 0.000 1.858 412 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 412 A C 2.313 179.733 177.584 -0.274 0.000 1.190 412 A CA 1.226 53.215 52.037 -0.081 0.000 0.617 412 A CB -0.744 18.276 19.000 0.034 0.000 0.827 412 A HN 0.312 nan 8.150 nan 0.000 0.443 413 I N -0.852 119.452 120.570 -0.443 0.000 2.252 413 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 413 I C 2.203 178.005 176.117 -0.525 0.000 1.102 413 I CA 1.907 62.668 61.300 -0.899 0.000 1.385 413 I CB -0.174 37.380 38.000 -0.742 0.000 1.064 413 I HN 0.218 nan 8.210 nan 0.000 0.414 414 K N 0.014 120.234 120.400 -0.300 0.000 2.032 414 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 414 K C 2.104 178.595 176.600 -0.182 0.000 1.048 414 K CA 1.908 58.075 56.287 -0.201 0.000 0.927 414 K CB -0.434 31.985 32.500 -0.135 0.000 0.712 414 K HN 0.301 nan 8.250 nan 0.000 0.441 415 L N 0.936 122.055 121.223 -0.174 0.000 2.017 415 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 415 L C 2.190 178.967 176.870 -0.154 0.000 1.073 415 L CA 1.902 56.654 54.840 -0.146 0.000 0.745 415 L CB -0.752 41.234 42.059 -0.121 0.000 0.894 415 L HN 0.132 nan 8.230 nan 0.000 0.432 416 A N -0.493 122.215 122.820 -0.186 0.000 1.883 416 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 416 A C 2.560 180.065 177.584 -0.131 0.000 1.186 416 A CA 2.008 53.961 52.037 -0.139 0.000 0.624 416 A CB -0.688 18.235 19.000 -0.129 0.000 0.822 416 A HN 0.493 nan 8.150 nan 0.000 0.444 417 R N -0.591 119.792 120.500 -0.195 0.000 2.070 417 R HA -0.112 4.228 4.340 -0.000 0.000 0.233 417 R C 2.411 178.657 176.300 -0.090 0.000 1.137 417 R CA 1.451 57.471 56.100 -0.134 0.000 0.945 417 R CB -0.475 29.729 30.300 -0.160 0.000 0.845 417 R HN 0.451 nan 8.270 nan 0.000 0.430 418 A N 0.846 123.607 122.820 -0.099 0.000 1.948 418 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 418 A C 1.959 179.513 177.584 -0.051 0.000 1.177 418 A CA 1.274 53.269 52.037 -0.070 0.000 0.636 418 A CB -0.417 18.535 19.000 -0.079 0.000 0.815 418 A HN 0.275 nan 8.150 nan 0.000 0.449 419 L N -1.809 119.372 121.223 -0.069 0.000 2.209 419 L HA 0.198 4.538 4.340 -0.000 0.000 0.207 419 L C 1.809 178.672 176.870 -0.010 0.000 1.094 419 L CA 1.569 56.380 54.840 -0.048 0.000 0.790 419 L CB -1.195 40.805 42.059 -0.098 0.000 0.932 419 L HN 0.792 nan 8.230 nan 0.000 0.447 420 G N -0.308 108.479 108.800 -0.022 0.000 2.165 420 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 420 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 420 G C 0.367 175.264 174.900 -0.005 0.000 1.035 420 G CA 0.340 45.434 45.100 -0.009 0.000 0.744 420 G HN 0.404 nan 8.290 nan 0.000 0.501 421 V N -2.895 117.013 119.914 -0.010 0.000 3.610 421 V HA 0.876 4.996 4.120 -0.000 0.000 0.285 421 V C 0.848 176.936 176.094 -0.010 0.000 1.012 421 V CA 0.077 62.371 62.300 -0.009 0.000 0.975 421 V CB 0.975 32.791 31.823 -0.011 0.000 1.247 421 V HN 0.398 nan 8.190 nan 0.000 0.424 422 T N 2.432 116.962 114.554 -0.039 0.000 2.762 422 T HA 0.449 4.799 4.350 -0.000 0.000 0.303 422 T C -0.788 173.839 174.700 -0.121 0.000 0.977 422 T CA 0.319 62.377 62.100 -0.070 0.000 0.961 422 T CB -0.201 68.607 68.868 -0.101 0.000 0.944 422 T HN 0.574 nan 8.240 nan 0.000 0.481 423 F N 2.954 122.778 119.950 -0.210 0.000 2.420 423 F HA 0.630 5.157 4.527 -0.000 0.000 0.342 423 F C 0.110 175.751 175.800 -0.264 0.000 1.113 423 F CA -0.282 57.567 58.000 -0.252 0.000 1.059 423 F CB 1.002 39.908 39.000 -0.157 0.000 1.128 423 F HN 0.411 nan 8.300 nan 0.000 0.475 424 S N 3.820 118.780 115.700 -1.233 0.000 2.588 424 S HA 0.355 4.825 4.470 -0.000 0.000 0.275 424 S C -1.503 172.559 174.600 -0.898 0.000 1.130 424 S CA -0.854 56.840 58.200 -0.843 0.000 0.855 424 S CB 1.936 64.873 63.200 -0.438 0.000 1.116 424 S HN 0.719 nan 8.310 nan 0.000 0.472 425 E N 1.451 121.401 120.200 -0.418 0.000 2.187 425 E HA 0.601 4.951 4.350 -0.000 0.000 0.268 425 E C -1.561 174.976 176.600 -0.104 0.000 0.896 425 E CA -0.494 55.770 56.400 -0.228 0.000 0.766 425 E CB 0.895 30.533 29.700 -0.103 0.000 1.142 425 E HN 0.508 nan 8.360 nan 0.000 0.408 426 I N 3.626 124.128 120.570 -0.113 0.000 2.418 426 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 426 I C -0.474 175.502 176.117 -0.235 0.000 1.008 426 I CA -0.725 60.447 61.300 -0.212 0.000 1.104 426 I CB 1.675 39.455 38.000 -0.367 0.000 1.264 426 I HN 0.473 nan 8.210 nan 0.000 0.438 427 D N 7.200 127.478 120.400 -0.203 0.000 2.325 427 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 427 D C 0.942 177.089 176.300 -0.255 0.000 1.196 427 D CA -0.192 53.696 54.000 -0.187 0.000 0.866 427 D CB 1.239 41.969 40.800 -0.116 0.000 1.101 427 D HN 0.600 nan 8.370 nan 0.000 0.476 428 I N 1.369 121.766 120.570 -0.290 0.000 3.684 428 I HA 0.236 4.405 4.170 -0.000 0.000 0.304 428 I C 1.762 177.721 176.117 -0.263 0.000 1.278 428 I CA -0.180 60.949 61.300 -0.285 0.000 1.272 428 I CB 0.208 38.055 38.000 -0.255 0.000 1.029 428 I HN 0.311 nan 8.210 nan 0.000 0.458 429 G N 1.754 110.370 108.800 -0.305 0.000 2.476 429 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 429 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 429 G C 1.153 176.017 174.900 -0.060 0.000 1.164 429 G CA 1.370 46.264 45.100 -0.343 0.000 0.768 429 G HN 0.388 nan 8.290 nan 0.000 0.560 430 D N 0.024 120.423 120.400 -0.001 0.000 2.144 430 D HA -0.044 4.596 4.640 -0.000 0.000 0.200 430 D C 2.828 179.172 176.300 0.074 0.000 0.978 430 D CA 1.464 55.502 54.000 0.064 0.000 0.833 430 D CB -0.520 40.306 40.800 0.043 0.000 0.961 430 D HN 0.292 nan 8.370 nan 0.000 0.470 431 T N 0.310 114.897 114.554 0.056 0.000 2.821 431 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 431 T C 2.045 176.788 174.700 0.071 0.000 1.046 431 T CA 1.272 63.428 62.100 0.092 0.000 1.139 431 T CB -0.236 68.753 68.868 0.201 0.000 0.871 431 T HN 0.166 nan 8.240 nan 0.000 0.454 432 A N 2.007 124.838 122.820 0.018 0.000 1.898 432 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 432 A C 2.415 180.124 177.584 0.208 0.000 1.181 432 A CA 1.279 53.332 52.037 0.026 0.000 0.620 432 A CB -0.518 18.358 19.000 -0.206 0.000 0.819 432 A HN 0.383 nan 8.150 nan 0.000 0.442 433 R N -1.118 119.574 120.500 0.320 0.000 2.083 433 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 433 R C 2.127 178.576 176.300 0.249 0.000 1.137 433 R CA 1.556 57.870 56.100 0.356 0.000 0.951 433 R CB -0.627 29.871 30.300 0.330 0.000 0.851 433 R HN 0.493 nan 8.270 nan 0.000 0.434 434 L N 0.900 122.228 121.223 0.175 0.000 2.017 434 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 434 L C 2.284 179.256 176.870 0.169 0.000 1.073 434 L CA 1.739 56.670 54.840 0.153 0.000 0.745 434 L CB -0.457 41.662 42.059 0.101 0.000 0.894 434 L HN 0.181 nan 8.230 nan 0.000 0.432 435 M N -1.481 118.196 119.600 0.129 0.000 2.117 435 M HA -0.208 4.271 4.480 -0.000 0.000 0.262 435 M C 2.089 178.465 176.300 0.128 0.000 1.065 435 M CA 1.850 57.210 55.300 0.099 0.000 1.114 435 M CB -0.139 32.492 32.600 0.052 0.000 1.361 435 M HN 0.339 nan 8.290 nan 0.000 0.408 436 L N -1.016 120.308 121.223 0.168 0.000 2.141 436 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 436 L C 2.791 179.811 176.870 0.250 0.000 1.094 436 L CA 1.216 56.180 54.840 0.206 0.000 0.763 436 L CB -1.134 41.068 42.059 0.238 0.000 0.908 436 L HN 0.498 nan 8.230 nan 0.000 0.437 437 H N 0.080 119.247 119.070 0.161 0.000 2.299 437 H HA -0.148 4.408 4.556 -0.000 0.000 0.302 437 H C 2.009 177.396 175.328 0.098 0.000 1.078 437 H CA 2.002 58.127 56.048 0.128 0.000 1.323 437 H CB 0.222 30.048 29.762 0.106 0.000 1.381 437 H HN 0.231 nan 8.280 nan 0.000 0.498 438 T N 1.587 116.204 114.554 0.104 0.000 2.803 438 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 438 T C 1.942 176.642 174.700 -0.001 0.000 1.052 438 T CA 1.000 63.124 62.100 0.039 0.000 1.136 438 T CB -0.027 68.891 68.868 0.084 0.000 0.864 438 T HN 0.219 nan 8.240 nan 0.000 0.467 439 I N 0.417 121.009 120.570 0.037 0.000 3.059 439 I HA 0.175 4.345 4.170 -0.000 0.000 0.270 439 I C 2.045 178.182 176.117 0.034 0.000 1.238 439 I CA 0.389 61.719 61.300 0.050 0.000 1.478 439 I CB -1.529 36.529 38.000 0.097 0.000 1.097 439 I HN 0.454 nan 8.210 nan 0.000 0.455 440 G N 1.397 110.195 108.800 -0.004 0.000 2.198 440 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 440 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 440 G C 0.486 175.421 174.900 0.058 0.000 1.042 440 G CA 0.254 45.341 45.100 -0.022 0.000 0.791 440 G HN 0.531 nan 8.290 nan 0.000 0.502 441 H N 1.209 120.313 119.070 0.057 0.000 2.803 441 H HA 0.221 4.777 4.556 -0.000 0.000 0.330 441 H C -0.736 174.661 175.328 0.115 0.000 1.057 441 H CA -0.761 55.350 56.048 0.106 0.000 1.458 441 H CB 1.545 31.410 29.762 0.172 0.000 1.470 441 H HN 0.119 nan 8.280 nan 0.000 0.560 442 P HA -0.207 nan 4.420 nan 0.000 0.222 442 P C 1.236 178.613 177.300 0.128 0.000 1.142 442 P CA 1.039 64.114 63.100 -0.042 0.000 0.788 442 P CB -0.183 31.414 31.700 -0.171 0.000 0.767 443 Y N 1.201 121.689 120.300 0.313 0.000 2.224 443 Y HA -0.184 4.366 4.550 -0.000 0.000 0.289 443 Y C 2.603 178.603 175.900 0.166 0.000 1.146 443 Y CA 1.575 59.818 58.100 0.239 0.000 1.182 443 Y CB -0.786 37.877 38.460 0.338 0.000 0.983 443 Y HN -0.105 nan 8.280 nan 0.000 0.524 444 S N -0.510 115.373 115.700 0.307 0.000 2.381 444 S HA -0.229 4.241 4.470 -0.000 0.000 0.230 444 S C 1.496 176.147 174.600 0.084 0.000 1.052 444 S CA 1.977 60.311 58.200 0.223 0.000 1.068 444 S CB -0.809 62.555 63.200 0.274 0.000 0.918 444 S HN 0.450 nan 8.310 nan 0.000 0.448 445 V N -2.110 117.826 119.914 0.036 0.000 3.110 445 V HA 0.717 4.837 4.120 -0.000 0.000 0.368 445 V C 1.057 177.105 176.094 -0.077 0.000 1.332 445 V CA 0.242 62.538 62.300 -0.006 0.000 1.287 445 V CB -0.539 31.290 31.823 0.011 0.000 1.277 445 V HN 0.525 nan 8.190 nan 0.000 0.502 446 G N 0.727 109.425 108.800 -0.170 0.000 2.199 446 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.254 446 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.254 446 G C 0.124 174.886 174.900 -0.230 0.000 0.982 446 G CA 0.311 45.269 45.100 -0.237 0.000 0.632 446 G HN 0.989 nan 8.290 nan 0.000 0.529 447 E N 1.055 121.152 120.200 -0.172 0.000 2.266 447 E HA 0.478 4.828 4.350 -0.000 0.000 0.277 447 E C -0.253 176.236 176.600 -0.185 0.000 1.018 447 E CA -0.857 55.450 56.400 -0.155 0.000 0.840 447 E CB 0.864 30.493 29.700 -0.118 0.000 1.082 447 E HN 0.305 nan 8.360 nan 0.000 0.395 448 K N 2.620 122.854 120.400 -0.276 0.000 2.155 448 K HA 0.179 4.499 4.320 -0.000 0.000 0.240 448 K C -0.670 175.419 176.600 -0.853 0.000 1.193 448 K CA -0.230 55.690 56.287 -0.612 0.000 1.104 448 K CB 0.166 32.359 32.500 -0.511 0.000 1.558 448 K HN 0.290 nan 8.250 nan 0.000 0.313 449 V N 3.355 122.940 119.914 -0.549 0.000 2.288 449 V HA 0.118 4.238 4.120 -0.000 0.000 0.266 449 V C -0.382 175.482 176.094 -0.383 0.000 1.048 449 V CA -0.669 61.418 62.300 -0.355 0.000 0.842 449 V CB -0.546 31.203 31.823 -0.123 0.000 1.064 449 V HN 0.542 nan 8.190 nan 0.000 0.472 450 Y N 2.775 122.902 120.300 -0.288 0.000 2.827 450 Y HA 0.280 4.830 4.550 -0.000 0.000 0.373 450 Y C 0.920 176.806 175.900 -0.023 0.000 1.198 450 Y CA -1.375 56.460 58.100 -0.443 0.000 1.589 450 Y CB 0.024 38.239 38.460 -0.407 0.000 1.682 450 Y HN 0.718 nan 8.280 nan 0.000 0.506 451 D N -1.746 118.778 120.400 0.208 0.000 2.440 451 D HA 0.024 4.664 4.640 -0.000 0.000 0.269 451 D C 1.188 177.642 176.300 0.257 0.000 1.249 451 D CA -0.599 53.530 54.000 0.214 0.000 1.055 451 D CB 0.446 41.360 40.800 0.190 0.000 1.104 451 D HN 0.066 nan 8.370 nan 0.000 0.561 452 V N -0.420 119.605 119.914 0.186 0.000 2.515 452 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 452 V C 2.386 178.569 176.094 0.148 0.000 1.058 452 V CA 2.232 64.619 62.300 0.145 0.000 1.064 452 V CB -0.976 30.910 31.823 0.106 0.000 0.675 452 V HN 0.649 nan 8.190 nan 0.000 0.461 453 T N 0.133 114.800 114.554 0.189 0.000 2.708 453 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 453 T C 1.670 176.430 174.700 0.101 0.000 1.037 453 T CA 2.034 64.234 62.100 0.168 0.000 1.146 453 T CB -0.434 68.592 68.868 0.264 0.000 0.865 453 T HN 0.484 nan 8.240 nan 0.000 0.435 454 F N 1.878 121.799 119.950 -0.048 0.000 2.091 454 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 454 F C 2.323 178.092 175.800 -0.051 0.000 1.103 454 F CA 1.711 59.610 58.000 -0.170 0.000 1.228 454 F CB -0.143 38.802 39.000 -0.092 0.000 0.984 454 F HN 0.211 nan 8.300 nan 0.000 0.477 455 E N -0.163 120.095 120.200 0.097 0.000 2.046 455 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 455 E C 1.874 178.417 176.600 -0.094 0.000 0.982 455 E CA 1.266 57.656 56.400 -0.017 0.000 0.800 455 E CB -0.261 29.482 29.700 0.073 0.000 0.756 455 E HN 0.385 nan 8.360 nan 0.000 0.449 456 N N 0.502 119.178 118.700 -0.040 0.000 2.120 456 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 456 N C 1.855 177.323 175.510 -0.071 0.000 1.024 456 N CA 0.704 53.729 53.050 -0.042 0.000 0.852 456 N CB -0.494 37.998 38.487 0.009 0.000 1.003 456 N HN -0.035 nan 8.380 nan 0.000 0.424 457 V N 1.465 121.325 119.914 -0.091 0.000 2.278 457 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 457 V C 2.267 178.277 176.094 -0.140 0.000 1.062 457 V CA 1.795 64.032 62.300 -0.106 0.000 1.038 457 V CB -0.548 31.201 31.823 -0.122 0.000 0.646 457 V HN 0.415 nan 8.190 nan 0.000 0.447 458 Q N -0.585 119.085 119.800 -0.217 0.000 2.016 458 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 458 Q C 2.458 178.368 176.000 -0.150 0.000 0.978 458 Q CA 1.653 57.315 55.803 -0.235 0.000 0.833 458 Q CB -0.459 28.081 28.738 -0.330 0.000 0.895 458 Q HN 0.664 nan 8.270 nan 0.000 0.427 459 A N 1.230 123.975 122.820 -0.124 0.000 1.883 459 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 459 A C 2.316 179.862 177.584 -0.064 0.000 1.186 459 A CA 1.849 53.834 52.037 -0.086 0.000 0.624 459 A CB -1.420 17.531 19.000 -0.083 0.000 0.822 459 A HN 0.499 nan 8.150 nan 0.000 0.444 460 G N -0.425 108.335 108.800 -0.067 0.000 2.440 460 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 460 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 460 G C 1.559 176.430 174.900 -0.049 0.000 1.154 460 G CA 1.074 46.136 45.100 -0.062 0.000 0.767 460 G HN 0.438 nan 8.290 nan 0.000 0.552 461 L N -0.320 120.880 121.223 -0.039 0.000 2.156 461 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 461 L C 3.170 180.109 176.870 0.115 0.000 1.095 461 L CA 0.477 55.328 54.840 0.018 0.000 0.770 461 L CB -0.236 41.845 42.059 0.036 0.000 0.914 461 L HN 0.160 nan 8.230 nan 0.000 0.439 462 R N -0.547 119.977 120.500 0.040 0.000 2.097 462 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 462 R C 2.220 178.559 176.300 0.065 0.000 1.135 462 R CA 2.135 58.255 56.100 0.034 0.000 0.934 462 R CB -0.935 29.353 30.300 -0.020 0.000 0.846 462 R HN 0.313 nan 8.270 nan 0.000 0.431 463 T N 0.894 115.481 114.554 0.054 0.000 2.746 463 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 463 T C 1.445 176.257 174.700 0.188 0.000 1.039 463 T CA 1.490 63.666 62.100 0.126 0.000 1.142 463 T CB -0.395 68.525 68.868 0.087 0.000 0.866 463 T HN 0.274 nan 8.240 nan 0.000 0.444 464 D N 0.068 120.496 120.400 0.048 0.000 2.104 464 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 464 D C 1.886 178.162 176.300 -0.039 0.000 0.994 464 D CA 1.325 55.300 54.000 -0.040 0.000 0.830 464 D CB -0.272 40.441 40.800 -0.144 0.000 0.959 464 D HN 0.401 nan 8.370 nan 0.000 0.452 465 Y N 0.716 120.986 120.300 -0.050 0.000 2.145 465 Y HA -0.120 4.430 4.550 -0.000 0.000 0.286 465 Y C 2.573 178.385 175.900 -0.147 0.000 1.145 465 Y CA 0.959 58.990 58.100 -0.114 0.000 1.148 465 Y CB -0.409 37.948 38.460 -0.172 0.000 0.981 465 Y HN 0.003 nan 8.280 nan 0.000 0.507 466 L N -2.030 119.215 121.223 0.036 0.000 2.017 466 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 466 L C 2.172 179.014 176.870 -0.047 0.000 1.073 466 L CA 1.345 56.137 54.840 -0.081 0.000 0.745 466 L CB -0.738 41.281 42.059 -0.067 0.000 0.894 466 L HN 0.134 nan 8.230 nan 0.000 0.432 467 F N -0.114 119.817 119.950 -0.032 0.000 2.126 467 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 467 F C 2.740 178.542 175.800 0.005 0.000 1.096 467 F CA 1.167 59.178 58.000 0.018 0.000 1.255 467 F CB -0.205 38.775 39.000 -0.034 0.000 0.997 467 F HN -0.048 nan 8.300 nan 0.000 0.479 468 R N 0.205 120.777 120.500 0.121 0.000 2.073 468 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 468 R C 2.307 178.611 176.300 0.007 0.000 1.120 468 R CA 1.140 57.258 56.100 0.031 0.000 0.967 468 R CB -1.198 29.067 30.300 -0.059 0.000 0.862 468 R HN 0.319 nan 8.270 nan 0.000 0.436 469 I N 0.930 121.483 120.570 -0.029 0.000 2.208 469 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 469 I C 2.442 178.550 176.117 -0.015 0.000 1.097 469 I CA 1.565 62.832 61.300 -0.053 0.000 1.363 469 I CB -0.379 37.497 38.000 -0.207 0.000 1.051 469 I HN 0.105 nan 8.210 nan 0.000 0.413 470 A N 0.669 123.479 122.820 -0.016 0.000 1.902 470 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 470 A C 2.117 179.691 177.584 -0.016 0.000 1.181 470 A CA 1.962 53.986 52.037 -0.023 0.000 0.623 470 A CB -0.680 18.289 19.000 -0.053 0.000 0.818 470 A HN 0.425 nan 8.150 nan 0.000 0.443 471 N N -0.482 118.231 118.700 0.022 0.000 2.084 471 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 471 N C 1.958 177.471 175.510 0.006 0.000 1.030 471 N CA 1.616 54.677 53.050 0.019 0.000 0.849 471 N CB -0.458 38.054 38.487 0.043 0.000 1.012 471 N HN 0.753 nan 8.380 nan 0.000 0.423 472 Q N 0.510 120.315 119.800 0.009 0.000 2.119 472 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 472 Q C 1.208 177.215 176.000 0.011 0.000 0.972 472 Q CA 1.306 57.114 55.803 0.009 0.000 0.847 472 Q CB 0.167 28.912 28.738 0.011 0.000 0.903 472 Q HN 0.113 nan 8.270 nan 0.000 0.433 473 R N -1.355 119.153 120.500 0.014 0.000 2.334 473 R HA 0.172 4.512 4.340 -0.000 0.000 0.212 473 R C 0.339 176.644 176.300 0.008 0.000 0.897 473 R CA 0.701 56.813 56.100 0.020 0.000 1.056 473 R CB 0.943 31.271 30.300 0.046 0.000 1.046 473 R HN 0.393 nan 8.270 nan 0.000 0.513 474 G N -0.094 108.701 108.800 -0.009 0.000 2.289 474 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.280 474 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.280 474 G C 0.104 174.984 174.900 -0.033 0.000 1.089 474 G CA -0.020 45.066 45.100 -0.023 0.000 0.939 474 G HN 0.526 nan 8.290 nan 0.000 0.499 475 G N -0.916 107.853 108.800 -0.051 0.000 2.788 475 G HA2 0.949 4.909 3.960 -0.000 0.000 0.293 475 G HA3 0.949 4.909 3.960 -0.000 0.000 0.293 475 G C -0.188 174.622 174.900 -0.150 0.000 1.305 475 G CA -0.621 44.443 45.100 -0.061 0.000 1.005 475 G HN 1.265 nan 8.290 nan 0.000 0.496 476 I N -1.913 118.580 120.570 -0.127 0.000 2.569 476 I HA 0.648 4.818 4.170 -0.000 0.000 0.296 476 I C -0.541 175.575 176.117 -0.000 0.000 1.028 476 I CA -1.311 59.878 61.300 -0.184 0.000 1.082 476 I CB 2.253 40.170 38.000 -0.137 0.000 1.264 476 I HN 0.149 nan 8.210 nan 0.000 0.429 477 V N 6.076 126.087 119.914 0.162 0.000 2.470 477 V HA 0.187 4.307 4.120 -0.000 0.000 0.276 477 V C 0.474 176.551 176.094 -0.027 0.000 1.040 477 V CA -0.243 62.003 62.300 -0.090 0.000 1.008 477 V CB 0.930 32.419 31.823 -0.557 0.000 0.990 477 V HN 0.496 nan 8.190 nan 0.000 0.477 478 L N 5.009 126.235 121.223 0.006 0.000 2.290 478 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 478 L C 1.035 177.914 176.870 0.014 0.000 1.078 478 L CA 0.093 54.960 54.840 0.045 0.000 0.815 478 L CB 1.042 43.137 42.059 0.059 0.000 1.162 478 L HN 0.774 nan 8.230 nan 0.000 0.435 479 G N 0.876 109.684 108.800 0.012 0.000 2.476 479 G HA2 0.369 4.329 3.960 -0.000 0.000 0.269 479 G HA3 0.369 4.329 3.960 -0.000 0.000 0.269 479 G C 0.636 175.540 174.900 0.007 0.000 1.195 479 G CA 0.092 45.189 45.100 -0.005 0.000 0.843 479 G HN 0.723 nan 8.290 nan 0.000 0.545 480 T N -1.702 112.856 114.554 0.008 0.000 3.087 480 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 480 T C 1.058 175.765 174.700 0.011 0.000 0.956 480 T CA 0.538 62.649 62.100 0.019 0.000 0.894 480 T CB 0.135 69.020 68.868 0.029 0.000 1.160 480 T HN 0.823 nan 8.240 nan 0.000 0.532 481 G N 2.119 110.918 108.800 -0.001 0.000 2.491 481 G HA2 0.460 4.420 3.960 -0.000 0.000 0.242 481 G HA3 0.460 4.420 3.960 -0.000 0.000 0.242 481 G C -0.455 174.433 174.900 -0.019 0.000 1.266 481 G CA -0.205 44.892 45.100 -0.004 0.000 0.844 481 G HN 0.626 nan 8.290 nan 0.000 0.571 482 D N 0.489 120.869 120.400 -0.034 0.000 2.384 482 D HA 0.243 4.883 4.640 -0.000 0.000 0.250 482 D C 1.317 177.573 176.300 -0.072 0.000 1.029 482 D CA -1.032 52.928 54.000 -0.066 0.000 0.990 482 D CB 1.182 41.917 40.800 -0.108 0.000 1.175 482 D HN 0.165 nan 8.370 nan 0.000 0.532 483 L N 0.729 121.889 121.223 -0.106 0.000 2.079 483 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 483 L C 1.875 178.703 176.870 -0.070 0.000 1.081 483 L CA 1.829 56.606 54.840 -0.105 0.000 0.752 483 L CB -0.715 41.233 42.059 -0.185 0.000 0.896 483 L HN 0.508 nan 8.230 nan 0.000 0.433 484 S N -0.671 114.971 115.700 -0.097 0.000 2.383 484 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 484 S C 1.768 176.440 174.600 0.120 0.000 1.026 484 S CA 1.416 59.618 58.200 0.002 0.000 0.981 484 S CB -0.287 62.849 63.200 -0.108 0.000 0.818 484 S HN 0.560 nan 8.310 nan 0.000 0.472 485 E N 0.796 121.038 120.200 0.070 0.000 2.106 485 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 485 E C 1.886 178.584 176.600 0.164 0.000 0.984 485 E CA 0.643 57.163 56.400 0.199 0.000 0.806 485 E CB -0.240 29.563 29.700 0.171 0.000 0.750 485 E HN 0.219 nan 8.360 nan 0.000 0.458 486 L N 0.839 122.108 121.223 0.076 0.000 2.043 486 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 486 L C 2.319 179.231 176.870 0.071 0.000 1.075 486 L CA 1.961 56.828 54.840 0.044 0.000 0.752 486 L CB -0.662 41.404 42.059 0.011 0.000 0.891 486 L HN 0.119 nan 8.230 nan 0.000 0.432 487 A N -1.401 121.494 122.820 0.126 0.000 1.930 487 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 487 A C 1.902 179.584 177.584 0.163 0.000 1.175 487 A CA 1.245 53.410 52.037 0.213 0.000 0.627 487 A CB -0.394 18.737 19.000 0.217 0.000 0.815 487 A HN 0.297 nan 8.150 nan 0.000 0.443 488 L N -1.272 120.060 121.223 0.181 0.000 2.585 488 L HA 0.223 4.562 4.340 -0.000 0.000 0.226 488 L C 1.552 178.598 176.870 0.294 0.000 1.113 488 L CA 1.163 56.114 54.840 0.186 0.000 0.876 488 L CB -1.590 40.588 42.059 0.199 0.000 1.072 488 L HN 0.620 nan 8.230 nan 0.000 0.468 489 G N -0.292 108.652 108.800 0.240 0.000 2.295 489 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.287 489 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.287 489 G C 0.041 175.194 174.900 0.422 0.000 1.055 489 G CA 0.039 45.285 45.100 0.243 0.000 0.922 489 G HN 0.500 nan 8.290 nan 0.000 0.503 490 W N 0.949 122.340 121.300 0.152 0.000 2.228 490 W HA 0.628 5.288 4.660 -0.000 0.000 0.364 490 W C 0.049 176.636 176.519 0.113 0.000 0.917 490 W CA 0.038 57.475 57.345 0.153 0.000 1.513 490 W CB 0.692 30.266 29.460 0.189 0.000 1.494 490 W HN 0.390 nan 8.180 nan 0.000 0.346 491 S N 2.364 118.016 115.700 -0.081 0.000 2.622 491 S HA 0.275 4.745 4.470 -0.000 0.000 0.275 491 S C -1.042 173.527 174.600 -0.053 0.000 1.112 491 S CA -0.396 57.770 58.200 -0.057 0.000 0.837 491 S CB 1.542 64.752 63.200 0.016 0.000 1.082 491 S HN 0.069 nan 8.310 nan 0.000 0.456 492 T N 3.506 118.033 114.554 -0.044 0.000 2.770 492 T HA 0.352 4.702 4.350 -0.000 0.000 0.297 492 T C -0.882 173.833 174.700 0.025 0.000 0.997 492 T CA -0.082 62.016 62.100 -0.002 0.000 0.949 492 T CB 0.208 69.052 68.868 -0.040 0.000 0.941 492 T HN 0.474 nan 8.240 nan 0.000 0.457 493 Y N 3.430 123.715 120.300 -0.026 0.000 2.377 493 Y HA 0.444 4.994 4.550 -0.000 0.000 0.330 493 Y C 1.145 177.034 175.900 -0.019 0.000 1.108 493 Y CA 1.357 59.430 58.100 -0.044 0.000 1.308 493 Y CB 0.023 38.469 38.460 -0.023 0.000 1.216 493 Y HN 0.919 nan 8.280 nan 0.000 0.518 494 G N 3.402 111.667 108.800 -0.893 0.000 4.315 494 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 494 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 494 G C -0.697 173.938 174.900 -0.441 0.000 1.649 494 G CA -0.182 44.396 45.100 -0.870 0.000 1.108 494 G HN 0.888 nan 8.290 nan 0.000 0.667 495 V N 2.780 122.515 119.914 -0.298 0.000 2.338 495 V HA 0.643 4.763 4.120 -0.000 0.000 0.255 495 V C 0.935 176.942 176.094 -0.144 0.000 1.082 495 V CA 0.965 63.132 62.300 -0.222 0.000 0.951 495 V CB -0.264 31.455 31.823 -0.173 0.000 1.102 495 V HN 2.140 nan 8.190 nan 0.000 0.489 496 G N 4.059 112.785 108.800 -0.122 0.000 2.337 496 G HA2 0.196 4.156 3.960 -0.000 0.000 0.298 496 G HA3 0.196 4.156 3.960 -0.000 0.000 0.298 496 G C -0.212 174.658 174.900 -0.051 0.000 1.335 496 G CA -0.072 44.983 45.100 -0.074 0.000 0.875 496 G HN 0.618 nan 8.290 nan 0.000 0.579 497 D N -0.673 119.704 120.400 -0.038 0.000 2.378 497 D HA -0.106 4.534 4.640 -0.000 0.000 0.222 497 D C 1.671 177.959 176.300 -0.020 0.000 0.980 497 D CA 1.268 55.256 54.000 -0.019 0.000 0.907 497 D CB 0.305 41.090 40.800 -0.025 0.000 0.899 497 D HN 0.375 nan 8.370 nan 0.000 0.527 498 Q N -0.417 119.359 119.800 -0.040 0.000 2.297 498 Q HA -0.039 4.301 4.340 -0.000 0.000 0.204 498 Q C 0.191 176.158 176.000 -0.055 0.000 0.962 498 Q CA 0.418 56.193 55.803 -0.046 0.000 0.879 498 Q CB 0.010 28.718 28.738 -0.049 0.000 0.947 498 Q HN 0.326 nan 8.270 nan 0.000 0.462 499 M N 0.740 120.310 119.600 -0.051 0.000 2.318 499 M HA 0.305 4.785 4.480 -0.000 0.000 0.347 499 M C -0.834 175.549 176.300 0.138 0.000 1.175 499 M CA -0.369 54.923 55.300 -0.014 0.000 1.075 499 M CB 1.593 34.109 32.600 -0.141 0.000 1.614 499 M HN 0.162 nan 8.290 nan 0.000 0.456 500 S N 2.044 117.823 115.700 0.131 0.000 2.643 500 S HA 0.431 4.901 4.470 -0.000 0.000 0.266 500 S C 0.013 174.546 174.600 -0.112 0.000 1.130 500 S CA -0.855 57.322 58.200 -0.037 0.000 0.817 500 S CB 0.495 63.666 63.200 -0.049 0.000 1.107 500 S HN 0.747 nan 8.310 nan 0.000 0.471 501 H N -0.611 118.439 119.070 -0.034 0.000 2.497 501 H HA 0.302 4.858 4.556 -0.000 0.000 0.282 501 H C -0.615 174.802 175.328 0.149 0.000 1.003 501 H CA 1.240 57.315 56.048 0.045 0.000 1.307 501 H CB 0.229 29.972 29.762 -0.031 0.000 1.437 501 H HN 0.604 nan 8.280 nan 0.000 0.544 502 Y N 0.795 121.133 120.300 0.063 0.000 2.376 502 Y HA 0.184 4.734 4.550 -0.000 0.000 0.321 502 Y C -1.364 174.543 175.900 0.012 0.000 1.189 502 Y CA -1.115 57.005 58.100 0.033 0.000 1.069 502 Y CB 1.056 39.532 38.460 0.027 0.000 1.292 502 Y HN -0.128 nan 8.280 nan 0.000 0.430 503 N N 4.402 122.874 118.700 -0.380 0.000 2.501 503 N HA 0.242 4.982 4.740 -0.000 0.000 0.245 503 N C 0.628 176.009 175.510 -0.214 0.000 0.974 503 N CA -0.084 52.844 53.050 -0.203 0.000 0.941 503 N CB 1.597 39.986 38.487 -0.164 0.000 1.122 503 N HN 0.598 nan 8.380 nan 0.000 0.507 504 V N 1.261 121.168 119.914 -0.012 0.000 2.809 504 V HA 0.071 4.191 4.120 -0.000 0.000 0.256 504 V C 0.987 177.094 176.094 0.021 0.000 1.080 504 V CA 1.132 63.460 62.300 0.047 0.000 1.102 504 V CB -0.303 31.585 31.823 0.109 0.000 0.705 504 V HN 0.424 nan 8.190 nan 0.000 0.475 505 N N 0.746 119.452 118.700 0.010 0.000 2.280 505 N HA 0.322 5.062 4.740 -0.000 0.000 0.192 505 N C 1.812 177.304 175.510 -0.030 0.000 1.109 505 N CA 0.952 54.013 53.050 0.018 0.000 0.855 505 N CB 0.567 39.075 38.487 0.034 0.000 0.974 505 N HN 0.576 nan 8.380 nan 0.000 0.482 506 A N 0.612 123.397 122.820 -0.059 0.000 1.927 506 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 506 A C 2.001 179.545 177.584 -0.068 0.000 1.185 506 A CA 2.057 54.050 52.037 -0.073 0.000 0.639 506 A CB -0.923 18.010 19.000 -0.110 0.000 0.820 506 A HN 0.316 nan 8.150 nan 0.000 0.451 507 G N -1.544 107.220 108.800 -0.060 0.000 3.284 507 G HA2 0.411 4.371 3.960 -0.000 0.000 0.236 507 G HA3 0.411 4.371 3.960 -0.000 0.000 0.236 507 G C -0.096 174.751 174.900 -0.089 0.000 1.158 507 G CA 0.385 45.449 45.100 -0.061 0.000 0.774 507 G HN 0.276 nan 8.290 nan 0.000 0.545 508 V N 2.724 122.578 119.914 -0.100 0.000 2.357 508 V HA 0.319 4.438 4.120 -0.000 0.000 0.284 508 V C -2.066 173.903 176.094 -0.210 0.000 1.018 508 V CA -2.173 60.050 62.300 -0.129 0.000 0.841 508 V CB 2.004 33.789 31.823 -0.064 0.000 0.991 508 V HN 0.036 nan 8.190 nan 0.000 0.437 509 P HA 0.122 nan 4.420 nan 0.000 0.269 509 P C 0.564 177.730 177.300 -0.223 0.000 1.209 509 P CA -0.243 62.619 63.100 -0.397 0.000 0.776 509 P CB 1.340 32.572 31.700 -0.780 0.000 0.876 510 K N 1.274 121.535 120.400 -0.230 0.000 2.113 510 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 510 K C 1.903 178.451 176.600 -0.086 0.000 1.047 510 K CA 1.931 58.067 56.287 -0.251 0.000 0.928 510 K CB -0.549 31.596 32.500 -0.591 0.000 0.716 510 K HN 0.358 nan 8.250 nan 0.000 0.446 511 T N 0.269 114.843 114.554 0.033 0.000 2.962 511 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 511 T C 1.292 176.116 174.700 0.207 0.000 1.088 511 T CA 0.765 62.993 62.100 0.214 0.000 1.127 511 T CB -0.024 69.095 68.868 0.418 0.000 0.883 511 T HN 0.112 nan 8.240 nan 0.000 0.493 512 L N 0.715 121.998 121.223 0.101 0.000 2.307 512 L HA 0.235 4.575 4.340 -0.000 0.000 0.211 512 L C 1.877 178.771 176.870 0.039 0.000 1.099 512 L CA 0.897 55.807 54.840 0.117 0.000 0.816 512 L CB -0.446 41.639 42.059 0.043 0.000 0.952 512 L HN 0.166 nan 8.230 nan 0.000 0.455 513 I N 0.375 120.907 120.570 -0.063 0.000 2.145 513 I HA -0.377 3.793 4.170 -0.000 0.000 0.244 513 I C 2.523 178.534 176.117 -0.175 0.000 1.075 513 I CA 2.079 63.278 61.300 -0.168 0.000 1.332 513 I CB -1.315 36.602 38.000 -0.138 0.000 1.033 513 I HN 0.561 nan 8.210 nan 0.000 0.410 514 Q N -0.093 119.603 119.800 -0.173 0.000 2.135 514 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 514 Q C 2.044 177.868 176.000 -0.292 0.000 0.981 514 Q CA 1.626 57.269 55.803 -0.267 0.000 0.856 514 Q CB -0.620 27.887 28.738 -0.385 0.000 0.902 514 Q HN 0.559 nan 8.270 nan 0.000 0.425 515 H N 0.105 119.140 119.070 -0.058 0.000 2.428 515 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 515 H C 1.961 177.308 175.328 0.032 0.000 1.062 515 H CA 0.938 56.982 56.048 -0.007 0.000 1.350 515 H CB 0.248 30.011 29.762 0.003 0.000 1.403 515 H HN 0.221 nan 8.280 nan 0.000 0.533 516 L N 0.688 121.931 121.223 0.034 0.000 2.093 516 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 516 L C 2.553 179.489 176.870 0.110 0.000 1.085 516 L CA 1.110 55.944 54.840 -0.011 0.000 0.755 516 L CB -1.050 40.792 42.059 -0.361 0.000 0.904 516 L HN 0.214 nan 8.230 nan 0.000 0.435 517 I N -1.003 119.581 120.570 0.024 0.000 2.233 517 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 517 I C 2.724 178.893 176.117 0.087 0.000 1.093 517 I CA 0.778 62.144 61.300 0.109 0.000 1.380 517 I CB -0.256 37.772 38.000 0.047 0.000 1.067 517 I HN 0.202 nan 8.210 nan 0.000 0.413 518 R N 0.239 120.764 120.500 0.041 0.000 2.117 518 R HA -0.275 4.065 4.340 -0.000 0.000 0.243 518 R C 2.237 178.593 176.300 0.094 0.000 1.143 518 R CA 2.128 58.248 56.100 0.034 0.000 0.968 518 R CB -0.451 29.851 30.300 0.004 0.000 0.863 518 R HN 0.472 nan 8.270 nan 0.000 0.444 519 W N -0.019 121.272 121.300 -0.016 0.000 2.388 519 W HA -0.155 4.505 4.660 -0.000 0.000 0.294 519 W C 1.638 178.116 176.519 -0.067 0.000 1.212 519 W CA 1.221 58.553 57.345 -0.023 0.000 1.271 519 W CB -0.044 29.411 29.460 -0.008 0.000 1.126 519 W HN -0.130 nan 8.180 nan 0.000 0.535 520 V N 1.009 121.005 119.914 0.137 0.000 2.548 520 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 520 V C 2.167 178.206 176.094 -0.092 0.000 1.055 520 V CA 1.309 63.589 62.300 -0.033 0.000 1.065 520 V CB -0.849 31.050 31.823 0.127 0.000 0.681 520 V HN 0.111 nan 8.190 nan 0.000 0.462 521 I N 1.599 122.137 120.570 -0.053 0.000 2.113 521 I HA -0.183 3.987 4.170 -0.000 0.000 0.238 521 I C 2.723 178.762 176.117 -0.130 0.000 1.070 521 I CA 2.292 63.554 61.300 -0.062 0.000 1.332 521 I CB -1.741 36.231 38.000 -0.046 0.000 1.044 521 I HN 0.524 nan 8.210 nan 0.000 0.402 522 S N 1.248 116.846 115.700 -0.170 0.000 2.474 522 S HA 0.023 4.493 4.470 -0.000 0.000 0.235 522 S C 2.065 176.480 174.600 -0.308 0.000 0.997 522 S CA 0.749 58.830 58.200 -0.198 0.000 0.949 522 S CB -0.470 62.634 63.200 -0.160 0.000 0.766 522 S HN 0.412 nan 8.310 nan 0.000 0.517 523 A N 1.567 124.100 122.820 -0.479 0.000 1.930 523 A HA 0.483 4.803 4.320 -0.000 0.000 0.215 523 A C 2.079 179.469 177.584 -0.324 0.000 1.176 523 A CA 0.898 52.602 52.037 -0.555 0.000 0.632 523 A CB -1.401 17.009 19.000 -0.985 0.000 0.819 523 A HN 1.518 nan 8.150 nan 0.000 0.445 524 G N 0.116 108.776 108.800 -0.233 0.000 2.153 524 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.252 524 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.252 524 G C 0.685 175.506 174.900 -0.132 0.000 0.994 524 G CA 0.954 45.976 45.100 -0.130 0.000 0.698 524 G HN 0.760 nan 8.290 nan 0.000 0.521 525 E N -0.411 119.657 120.200 -0.220 0.000 2.110 525 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 525 E C 0.906 177.297 176.600 -0.349 0.000 0.988 525 E CA 0.691 56.903 56.400 -0.312 0.000 0.804 525 E CB -0.290 29.136 29.700 -0.457 0.000 0.745 525 E HN 0.512 nan 8.360 nan 0.000 0.458 526 F N 1.646 121.564 119.950 -0.053 0.000 2.371 526 F HA 0.467 4.994 4.527 -0.000 0.000 0.329 526 F C 1.753 177.528 175.800 -0.040 0.000 1.107 526 F CA -0.196 57.787 58.000 -0.028 0.000 1.137 526 F CB 0.664 39.652 39.000 -0.020 0.000 1.214 526 F HN -0.062 nan 8.300 nan 0.000 0.536 527 G N 0.857 109.744 108.800 0.146 0.000 2.443 527 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.286 527 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.286 527 G C 0.767 175.690 174.900 0.038 0.000 1.393 527 G CA -0.194 44.940 45.100 0.058 0.000 1.080 527 G HN 0.755 nan 8.290 nan 0.000 0.566 528 E N -0.117 120.089 120.200 0.011 0.000 2.072 528 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 528 E C 2.588 179.184 176.600 -0.006 0.000 0.982 528 E CA 1.060 57.458 56.400 -0.003 0.000 0.803 528 E CB 0.065 29.758 29.700 -0.012 0.000 0.755 528 E HN 0.398 nan 8.360 nan 0.000 0.453 529 K N 0.699 121.096 120.400 -0.005 0.000 2.025 529 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 529 K C 2.127 178.713 176.600 -0.023 0.000 1.049 529 K CA 0.900 57.177 56.287 -0.017 0.000 0.933 529 K CB -1.209 31.280 32.500 -0.019 0.000 0.714 529 K HN 0.043 nan 8.250 nan 0.000 0.438 530 V N 2.041 121.950 119.914 -0.009 0.000 2.287 530 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 530 V C 2.651 178.726 176.094 -0.032 0.000 1.053 530 V CA 2.281 64.562 62.300 -0.032 0.000 1.027 530 V CB -1.354 30.464 31.823 -0.008 0.000 0.646 530 V HN 0.564 nan 8.190 nan 0.000 0.447 531 G N -0.789 108.009 108.800 -0.003 0.000 2.418 531 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 531 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 531 G C 1.601 176.485 174.900 -0.028 0.000 1.158 531 G CA 1.101 46.194 45.100 -0.012 0.000 0.771 531 G HN 0.485 nan 8.290 nan 0.000 0.545 532 E N -0.598 119.585 120.200 -0.029 0.000 2.038 532 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 532 E C 2.922 179.498 176.600 -0.040 0.000 1.000 532 E CA 1.294 57.674 56.400 -0.034 0.000 0.803 532 E CB -0.799 28.882 29.700 -0.032 0.000 0.750 532 E HN 0.426 nan 8.360 nan 0.000 0.448 533 V N 0.498 120.384 119.914 -0.047 0.000 2.295 533 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 533 V C 2.334 178.397 176.094 -0.051 0.000 1.049 533 V CA 2.274 64.541 62.300 -0.055 0.000 1.024 533 V CB -0.611 31.169 31.823 -0.071 0.000 0.648 533 V HN 0.486 nan 8.190 nan 0.000 0.447 534 L N -0.075 121.117 121.223 -0.052 0.000 2.013 534 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 534 L C 2.846 179.694 176.870 -0.038 0.000 1.073 534 L CA 2.406 57.220 54.840 -0.042 0.000 0.753 534 L CB -0.782 41.255 42.059 -0.037 0.000 0.890 534 L HN 0.451 nan 8.230 nan 0.000 0.432 535 Q N 0.087 119.864 119.800 -0.039 0.000 2.124 535 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 535 Q C 2.332 178.306 176.000 -0.043 0.000 0.977 535 Q CA 2.130 57.908 55.803 -0.042 0.000 0.850 535 Q CB -0.217 28.497 28.738 -0.040 0.000 0.901 535 Q HN 0.574 nan 8.270 nan 0.000 0.429 536 S N -1.748 113.928 115.700 -0.040 0.000 2.453 536 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 536 S C 1.898 176.477 174.600 -0.035 0.000 1.005 536 S CA 0.821 58.999 58.200 -0.037 0.000 0.949 536 S CB -0.434 62.745 63.200 -0.036 0.000 0.774 536 S HN 0.185 nan 8.310 nan 0.000 0.510 537 V N 1.627 121.520 119.914 -0.036 0.000 2.295 537 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 537 V C 2.565 178.638 176.094 -0.035 0.000 1.049 537 V CA 1.538 63.820 62.300 -0.030 0.000 1.024 537 V CB -0.861 30.947 31.823 -0.026 0.000 0.648 537 V HN 0.373 nan 8.190 nan 0.000 0.447 538 L N 0.251 121.446 121.223 -0.046 0.000 1.989 538 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 538 L C 2.218 179.051 176.870 -0.062 0.000 1.071 538 L CA 2.003 56.803 54.840 -0.066 0.000 0.749 538 L CB -1.182 40.828 42.059 -0.082 0.000 0.890 538 L HN 0.356 nan 8.230 nan 0.000 0.431 539 D N -1.540 118.829 120.400 -0.052 0.000 2.178 539 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 539 D C 2.040 178.321 176.300 -0.032 0.000 0.980 539 D CA 1.491 55.464 54.000 -0.045 0.000 0.842 539 D CB -0.168 40.608 40.800 -0.040 0.000 0.948 539 D HN 0.314 nan 8.370 nan 0.000 0.472 540 T N 0.368 114.907 114.554 -0.026 0.000 2.867 540 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 540 T C 0.925 175.621 174.700 -0.007 0.000 1.057 540 T CA 0.947 63.039 62.100 -0.014 0.000 1.136 540 T CB 0.319 69.180 68.868 -0.012 0.000 0.874 540 T HN 0.150 nan 8.240 nan 0.000 0.466 560 K N 0.598 120.813 120.400 -0.308 0.000 2.699 560 K HA 0.331 4.651 4.320 -0.000 0.000 0.210 560 K C 0.670 177.136 176.600 -0.225 0.000 1.076 560 K CA 0.779 56.962 56.287 -0.174 0.000 1.109 560 K CB -0.226 32.301 32.500 0.045 0.000 0.862 560 K HN 0.807 nan 8.250 nan 0.000 0.470 561 V N -1.812 117.752 119.914 -0.584 0.000 3.499 561 V HA 0.481 4.601 4.120 -0.000 0.000 0.308 561 V C 0.781 176.384 176.094 -0.818 0.000 1.319 561 V CA -0.025 61.944 62.300 -0.552 0.000 1.194 561 V CB -1.234 30.153 31.823 -0.727 0.000 1.072 561 V HN 0.401 nan 8.190 nan 0.000 0.426 562 G N 0.859 108.866 108.800 -1.321 0.000 2.781 562 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.683 562 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.683 562 G C -2.781 171.287 174.900 -1.386 0.000 1.390 562 G CA -0.517 43.264 45.100 -2.200 0.000 0.850 562 G HN 0.480 nan 8.290 nan 0.000 0.557 563 P HA 0.319 nan 4.420 nan 0.000 0.266 563 P C 0.860 177.806 177.300 -0.590 0.000 1.215 563 P CA -0.202 62.483 63.100 -0.691 0.000 0.763 563 P CB 0.046 31.394 31.700 -0.587 0.000 0.806 564 F N 2.823 122.641 119.950 -0.220 0.000 2.154 564 F HA -0.274 4.253 4.527 -0.000 0.000 0.301 564 F C 2.462 178.249 175.800 -0.021 0.000 1.087 564 F CA 1.967 59.906 58.000 -0.100 0.000 1.274 564 F CB -1.483 37.507 39.000 -0.017 0.000 1.009 564 F HN 0.335 nan 8.300 nan 0.000 0.485 565 A N 0.304 123.241 122.820 0.194 0.000 1.870 565 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 565 A C 2.163 179.663 177.584 -0.139 0.000 1.224 565 A CA 2.161 54.285 52.037 0.145 0.000 0.650 565 A CB -1.261 17.732 19.000 -0.012 0.000 0.836 565 A HN 0.278 nan 8.150 nan 0.000 0.454 566 L N -1.305 119.611 121.223 -0.513 0.000 2.083 566 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 566 L C 2.564 179.309 176.870 -0.209 0.000 1.083 566 L CA 2.197 56.713 54.840 -0.541 0.000 0.752 566 L CB -0.920 40.682 42.059 -0.762 0.000 0.899 566 L HN 0.458 nan 8.230 nan 0.000 0.433 567 Q N -0.988 118.714 119.800 -0.164 0.000 2.163 567 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 567 Q C 1.812 177.809 176.000 -0.005 0.000 0.954 567 Q CA 0.992 56.743 55.803 -0.085 0.000 0.851 567 Q CB -0.062 28.651 28.738 -0.041 0.000 0.928 567 Q HN 0.363 nan 8.270 nan 0.000 0.459 568 D N -0.843 119.658 120.400 0.168 0.000 2.178 568 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 568 D C 1.262 177.753 176.300 0.317 0.000 0.974 568 D CA 0.550 54.741 54.000 0.319 0.000 0.841 568 D CB -0.139 40.920 40.800 0.431 0.000 0.953 568 D HN 0.209 nan 8.370 nan 0.000 0.478 569 F N 0.933 120.918 119.950 0.058 0.000 2.113 569 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 569 F C 2.383 178.138 175.800 -0.074 0.000 1.103 569 F CA 1.148 59.157 58.000 0.014 0.000 1.248 569 F CB 0.027 39.040 39.000 0.021 0.000 0.999 569 F HN -0.163 nan 8.300 nan 0.000 0.475 570 S N 0.558 116.217 115.700 -0.067 0.000 2.383 570 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 570 S C 1.838 176.046 174.600 -0.652 0.000 1.026 570 S CA 1.105 59.048 58.200 -0.428 0.000 0.981 570 S CB -0.596 62.043 63.200 -0.935 0.000 0.818 570 S HN 0.391 nan 8.310 nan 0.000 0.472 571 L N 1.111 121.977 121.223 -0.595 0.000 2.012 571 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 571 L C 1.903 178.634 176.870 -0.231 0.000 1.073 571 L CA 1.747 56.398 54.840 -0.315 0.000 0.748 571 L CB -0.794 41.268 42.059 0.005 0.000 0.891 571 L HN 0.298 nan 8.230 nan 0.000 0.431 572 F N -0.149 119.636 119.950 -0.276 0.000 2.102 572 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 572 F C 2.479 177.974 175.800 -0.510 0.000 1.105 572 F CA 1.826 59.532 58.000 -0.490 0.000 1.239 572 F CB -0.249 38.243 39.000 -0.847 0.000 0.991 572 F HN 0.192 nan 8.300 nan 0.000 0.474 573 Q N 0.204 119.879 119.800 -0.208 0.000 2.030 573 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 573 Q C 2.534 178.346 176.000 -0.313 0.000 0.986 573 Q CA 1.933 57.656 55.803 -0.133 0.000 0.843 573 Q CB -1.334 27.508 28.738 0.173 0.000 0.904 573 Q HN 0.397 nan 8.270 nan 0.000 0.420 574 V N 0.874 120.621 119.914 -0.279 0.000 2.307 574 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 574 V C 2.275 178.130 176.094 -0.398 0.000 1.045 574 V CA 1.400 63.548 62.300 -0.253 0.000 1.024 574 V CB -0.586 31.026 31.823 -0.352 0.000 0.651 574 V HN 0.217 nan 8.190 nan 0.000 0.449 575 L N -0.063 120.822 121.223 -0.562 0.000 2.275 575 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 575 L C 2.302 178.857 176.870 -0.524 0.000 1.119 575 L CA 1.841 56.359 54.840 -0.536 0.000 0.790 575 L CB -0.550 41.213 42.059 -0.493 0.000 0.919 575 L HN 0.200 nan 8.230 nan 0.000 0.443 576 R N -2.099 117.906 120.500 -0.825 0.000 2.105 576 R HA 0.015 4.355 4.340 -0.000 0.000 0.214 576 R C 1.058 176.833 176.300 -0.875 0.000 1.091 576 R CA 1.541 56.972 56.100 -1.114 0.000 1.007 576 R CB -0.155 28.929 30.300 -2.027 0.000 0.912 576 R HN 0.388 nan 8.270 nan 0.000 0.450 577 Y N -1.778 118.197 120.300 -0.542 0.000 2.448 577 Y HA 0.412 4.962 4.550 -0.000 0.000 0.257 577 Y C 0.999 176.667 175.900 -0.387 0.000 1.089 577 Y CA -0.407 57.316 58.100 -0.628 0.000 1.245 577 Y CB 0.444 38.003 38.460 -1.502 0.000 1.282 577 Y HN 0.209 nan 8.280 nan 0.000 0.529 578 G N 1.098 109.836 108.800 -0.104 0.000 2.305 578 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.287 578 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.287 578 G C -0.282 174.792 174.900 0.288 0.000 1.036 578 G CA -0.150 45.048 45.100 0.163 0.000 0.887 578 G HN 0.085 nan 8.290 nan 0.000 0.505 579 F N 0.445 120.552 119.950 0.260 0.000 2.518 579 F HA 0.318 4.845 4.527 -0.000 0.000 0.359 579 F C 1.644 177.621 175.800 0.295 0.000 1.118 579 F CA -0.850 57.295 58.000 0.242 0.000 1.287 579 F CB 0.504 39.638 39.000 0.224 0.000 1.132 579 F HN 0.529 nan 8.300 nan 0.000 0.587 580 R N 4.281 125.064 120.500 0.471 0.000 2.698 580 R HA 0.083 4.423 4.340 -0.000 0.000 0.266 580 R C -2.227 174.312 176.300 0.399 0.000 1.026 580 R CA -0.857 55.473 56.100 0.383 0.000 1.102 580 R CB -0.264 30.174 30.300 0.230 0.000 0.978 580 R HN 0.294 nan 8.270 nan 0.000 0.436 581 P HA -0.218 nan 4.420 nan 0.000 0.216 581 P C 1.208 178.718 177.300 0.349 0.000 1.150 581 P CA 2.006 65.340 63.100 0.390 0.000 0.837 581 P CB 0.041 31.972 31.700 0.385 0.000 0.786 582 S N -1.005 114.890 115.700 0.324 0.000 2.423 582 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 582 S C 2.007 176.920 174.600 0.521 0.000 1.014 582 S CA 1.147 59.606 58.200 0.432 0.000 0.965 582 S CB -0.724 62.693 63.200 0.362 0.000 0.785 582 S HN -0.053 nan 8.310 nan 0.000 0.495 583 K N 1.977 122.602 120.400 0.375 0.000 2.001 583 K HA 0.135 4.455 4.320 -0.000 0.000 0.208 583 K C 1.829 178.622 176.600 0.321 0.000 1.048 583 K CA 1.635 58.082 56.287 0.267 0.000 0.932 583 K CB -0.972 31.542 32.500 0.025 0.000 0.715 583 K HN 0.529 nan 8.250 nan 0.000 0.437 584 I N 0.658 121.464 120.570 0.394 0.000 2.163 584 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 584 I C 2.317 178.694 176.117 0.434 0.000 1.085 584 I CA 1.454 63.024 61.300 0.450 0.000 1.347 584 I CB -0.523 37.713 38.000 0.393 0.000 1.044 584 I HN 0.241 nan 8.210 nan 0.000 0.408 585 A N 0.608 123.677 122.820 0.415 0.000 1.908 585 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 585 A C 2.265 180.194 177.584 0.575 0.000 1.181 585 A CA 1.772 54.072 52.037 0.437 0.000 0.627 585 A CB -1.070 18.171 19.000 0.401 0.000 0.818 585 A HN 0.454 nan 8.150 nan 0.000 0.445 586 F N 0.509 120.641 119.950 0.304 0.000 2.075 586 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 586 F C 2.015 177.909 175.800 0.156 0.000 1.113 586 F CA 1.808 59.719 58.000 -0.147 0.000 1.218 586 F CB -0.371 38.049 39.000 -0.967 0.000 0.984 586 F HN 0.146 nan 8.300 nan 0.000 0.472 587 L N -0.109 121.295 121.223 0.302 0.000 1.989 587 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 587 L C 2.796 179.778 176.870 0.187 0.000 1.071 587 L CA 1.419 56.444 54.840 0.308 0.000 0.749 587 L CB -1.320 41.058 42.059 0.532 0.000 0.890 587 L HN 0.265 nan 8.230 nan 0.000 0.431 588 A N -0.955 121.909 122.820 0.072 0.000 1.933 588 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 588 A C 1.983 179.527 177.584 -0.066 0.000 1.175 588 A CA 1.606 53.373 52.037 -0.450 0.000 0.628 588 A CB -0.974 17.760 19.000 -0.444 0.000 0.814 588 A HN 0.632 nan 8.150 nan 0.000 0.444 589 W N 0.105 121.354 121.300 -0.084 0.000 2.378 589 W HA -0.175 4.485 4.660 -0.000 0.000 0.313 589 W C 2.159 178.555 176.519 -0.205 0.000 1.197 589 W CA 2.156 59.457 57.345 -0.073 0.000 1.304 589 W CB -0.602 28.859 29.460 0.002 0.000 1.148 589 W HN 0.559 nan 8.180 nan 0.000 0.494 590 H N -0.515 118.501 119.070 -0.089 0.000 2.353 590 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 590 H C 2.300 177.403 175.328 -0.375 0.000 1.103 590 H CA 2.750 58.591 56.048 -0.344 0.000 1.293 590 H CB -0.624 28.903 29.762 -0.393 0.000 1.372 590 H HN 0.216 nan 8.280 nan 0.000 0.501 591 A N -0.540 122.152 122.820 -0.213 0.000 1.898 591 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 591 A C 1.621 178.871 177.584 -0.557 0.000 1.181 591 A CA 1.439 53.240 52.037 -0.393 0.000 0.620 591 A CB -0.626 18.137 19.000 -0.395 0.000 0.819 591 A HN 0.564 nan 8.150 nan 0.000 0.442 592 W N 0.186 121.240 121.300 -0.409 0.000 2.915 592 W HA 0.075 4.735 4.660 -0.000 0.000 0.276 592 W C 2.110 178.458 176.519 -0.284 0.000 1.215 592 W CA 0.209 57.363 57.345 -0.318 0.000 1.514 592 W CB 0.155 29.508 29.460 -0.179 0.000 1.017 592 W HN 0.556 nan 8.180 nan 0.000 0.598 593 N N 0.697 119.242 118.700 -0.258 0.000 2.289 593 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 593 N C -0.406 174.954 175.510 -0.251 0.000 1.016 593 N CA 1.427 54.263 53.050 -0.357 0.000 0.872 593 N CB -0.184 37.711 38.487 -0.988 0.000 0.973 593 N HN 0.059 nan 8.380 nan 0.000 0.433 594 D N -0.732 119.516 120.400 -0.253 0.000 2.549 594 D HA 0.490 5.130 4.640 -0.000 0.000 0.251 594 D C 0.020 176.277 176.300 -0.073 0.000 1.153 594 D CA -0.651 53.253 54.000 -0.159 0.000 0.861 594 D CB 1.856 42.533 40.800 -0.204 0.000 1.207 594 D HN 0.142 nan 8.370 nan 0.000 0.543 595 A N 3.385 126.227 122.820 0.036 0.000 2.119 595 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 595 A C 1.499 179.236 177.584 0.255 0.000 1.152 595 A CA 0.777 52.952 52.037 0.230 0.000 0.708 595 A CB -0.031 19.086 19.000 0.194 0.000 0.805 595 A HN 0.503 nan 8.150 nan 0.000 0.460 596 E N -0.581 119.667 120.200 0.080 0.000 2.385 596 E HA 0.109 4.459 4.350 -0.000 0.000 0.194 596 E C 0.436 177.050 176.600 0.023 0.000 1.013 596 E CA 0.300 56.729 56.400 0.048 0.000 0.866 596 E CB 0.123 29.822 29.700 -0.002 0.000 0.832 596 E HN 0.268 nan 8.360 nan 0.000 0.500 597 R N -0.247 120.235 120.500 -0.031 0.000 2.407 597 R HA 0.628 4.968 4.340 -0.000 0.000 0.303 597 R C -0.102 176.105 176.300 -0.154 0.000 0.981 597 R CA 0.214 56.258 56.100 -0.094 0.000 0.905 597 R CB 1.361 31.577 30.300 -0.140 0.000 1.099 597 R HN 0.156 nan 8.270 nan 0.000 0.459 598 G N 2.528 111.236 108.800 -0.154 0.000 2.755 598 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.686 598 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.686 598 G C -1.001 173.772 174.900 -0.211 0.000 1.427 598 G CA -0.906 44.060 45.100 -0.223 0.000 0.873 598 G HN 0.584 nan 8.290 nan 0.000 0.580 599 N N -0.255 118.318 118.700 -0.210 0.000 2.518 599 N HA 0.462 5.202 4.740 -0.000 0.000 0.283 599 N C -0.349 175.029 175.510 -0.220 0.000 1.119 599 N CA 0.101 53.084 53.050 -0.111 0.000 0.983 599 N CB 0.846 39.296 38.487 -0.061 0.000 1.139 599 N HN 0.487 nan 8.380 nan 0.000 0.465 600 W N 1.737 122.981 121.300 -0.093 0.000 2.438 600 W HA 0.376 5.036 4.660 -0.000 0.000 0.324 600 W C -1.609 174.901 176.519 -0.015 0.000 1.119 600 W CA -1.291 55.999 57.345 -0.093 0.000 1.221 600 W CB 0.203 29.609 29.460 -0.091 0.000 1.253 600 W HN 0.410 nan 8.180 nan 0.000 0.555 601 P HA 0.086 nan 4.420 nan 0.000 0.272 601 P C -2.355 175.148 177.300 0.338 0.000 1.254 601 P CA -0.849 62.362 63.100 0.185 0.000 0.795 601 P CB -0.358 31.371 31.700 0.048 0.000 1.022 602 P HA 0.169 nan 4.420 nan 0.000 0.269 602 P C 0.589 178.073 177.300 0.308 0.000 1.209 602 P CA 0.876 64.117 63.100 0.235 0.000 0.776 602 P CB 0.060 31.856 31.700 0.159 0.000 0.876 603 G N 0.555 109.460 108.800 0.176 0.000 2.141 603 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.195 603 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.195 603 G C -0.460 174.277 174.900 -0.272 0.000 1.012 603 G CA -0.664 44.412 45.100 -0.041 0.000 0.696 603 G HN 0.357 nan 8.290 nan 0.000 0.508 604 F N 1.048 121.018 119.950 0.033 0.000 2.443 604 F HA 0.440 4.967 4.527 -0.000 0.000 0.369 604 F C -1.992 173.727 175.800 -0.135 0.000 1.090 604 F CA -2.329 55.646 58.000 -0.042 0.000 1.129 604 F CB 1.953 40.928 39.000 -0.042 0.000 1.367 604 F HN -0.142 nan 8.300 nan 0.000 0.465 605 P HA 0.038 nan 4.420 nan 0.000 0.266 605 P C 0.454 177.704 177.300 -0.084 0.000 1.195 605 P CA -0.104 62.969 63.100 -0.045 0.000 0.768 605 P CB 0.884 32.555 31.700 -0.048 0.000 0.838 606 K N 0.771 121.106 120.400 -0.109 0.000 2.360 606 K HA -0.120 4.200 4.320 -0.000 0.000 0.201 606 K C 2.014 178.534 176.600 -0.134 0.000 1.046 606 K CA 1.183 57.373 56.287 -0.162 0.000 0.940 606 K CB -0.477 31.948 32.500 -0.125 0.000 0.748 606 K HN 0.300 nan 8.250 nan 0.000 0.465 607 S N 0.613 116.264 115.700 -0.082 0.000 2.423 607 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 607 S C 0.576 175.156 174.600 -0.034 0.000 1.014 607 S CA 0.875 59.044 58.200 -0.051 0.000 0.965 607 S CB 0.064 63.244 63.200 -0.033 0.000 0.785 607 S HN 0.230 nan 8.310 nan 0.000 0.495 608 E N 0.991 121.176 120.200 -0.025 0.000 2.723 608 E HA 0.216 4.566 4.350 -0.000 0.000 0.219 608 E C -0.535 176.102 176.600 0.061 0.000 1.060 608 E CA -0.066 56.372 56.400 0.063 0.000 1.291 608 E CB 0.353 30.116 29.700 0.106 0.000 1.265 608 E HN 0.269 nan 8.360 nan 0.000 0.438 609 R N 2.236 122.649 120.500 -0.145 0.000 2.477 609 R HA 0.239 4.579 4.340 -0.000 0.000 0.285 609 R C -2.351 173.919 176.300 -0.049 0.000 1.415 609 R CA -1.361 54.475 56.100 -0.440 0.000 1.446 609 R CB 1.032 30.735 30.300 -0.994 0.000 1.110 609 R HN 0.066 nan 8.270 nan 0.000 0.590 610 P HA 0.120 nan 4.420 nan 0.000 0.277 610 P C -0.646 176.673 177.300 0.032 0.000 1.240 610 P CA -0.388 62.715 63.100 0.006 0.000 0.798 610 P CB 1.601 33.227 31.700 -0.124 0.000 0.979 611 S N 0.999 116.587 115.700 -0.187 0.000 2.532 611 S HA 0.633 5.103 4.470 -0.000 0.000 0.301 611 S C -1.111 173.240 174.600 -0.417 0.000 1.083 611 S CA -0.593 57.523 58.200 -0.140 0.000 1.025 611 S CB 0.723 63.896 63.200 -0.044 0.000 1.056 611 S HN 0.298 nan 8.310 nan 0.000 0.494 612 Y N 1.245 121.621 120.300 0.126 0.000 2.409 612 Y HA 0.568 5.118 4.550 -0.000 0.000 0.339 612 Y C 0.959 176.917 175.900 0.097 0.000 1.033 612 Y CA -0.735 57.409 58.100 0.073 0.000 1.094 612 Y CB 1.901 40.362 38.460 0.001 0.000 1.210 612 Y HN 0.943 nan 8.280 nan 0.000 0.456 613 S N 2.170 118.039 115.700 0.282 0.000 2.603 613 S HA 0.128 4.598 4.470 -0.000 0.000 0.268 613 S C 0.972 175.768 174.600 0.327 0.000 1.317 613 S CA -0.698 57.669 58.200 0.278 0.000 1.012 613 S CB 0.880 64.190 63.200 0.182 0.000 0.926 613 S HN 0.774 nan 8.310 nan 0.000 0.539 614 L N 2.582 124.047 121.223 0.404 0.000 2.042 614 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 614 L C 2.637 179.545 176.870 0.064 0.000 1.076 614 L CA 2.496 57.475 54.840 0.231 0.000 0.749 614 L CB -1.558 40.480 42.059 -0.035 0.000 0.893 614 L HN 0.961 nan 8.230 nan 0.000 0.432 615 A N -0.879 121.965 122.820 0.041 0.000 1.958 615 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 615 A C 2.206 179.763 177.584 -0.045 0.000 1.178 615 A CA 2.232 54.260 52.037 -0.016 0.000 0.642 615 A CB -0.648 18.344 19.000 -0.013 0.000 0.816 615 A HN 0.677 nan 8.150 nan 0.000 0.453 616 E N -0.800 119.397 120.200 -0.004 0.000 2.051 616 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 616 E C 1.920 178.489 176.600 -0.051 0.000 0.979 616 E CA 0.875 57.230 56.400 -0.074 0.000 0.803 616 E CB -0.213 29.562 29.700 0.126 0.000 0.761 616 E HN 0.681 nan 8.360 nan 0.000 0.451 617 I N 1.099 121.701 120.570 0.054 0.000 2.208 617 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 617 I C 2.722 178.872 176.117 0.056 0.000 1.097 617 I CA 1.114 62.448 61.300 0.056 0.000 1.363 617 I CB -0.192 37.876 38.000 0.114 0.000 1.051 617 I HN 0.044 nan 8.210 nan 0.000 0.413 618 R N 0.194 120.702 120.500 0.014 0.000 2.070 618 R HA -0.265 4.075 4.340 -0.000 0.000 0.232 618 R C 2.489 178.779 176.300 -0.017 0.000 1.138 618 R CA 2.201 58.295 56.100 -0.009 0.000 0.936 618 R CB -0.559 29.701 30.300 -0.067 0.000 0.839 618 R HN 0.391 nan 8.270 nan 0.000 0.429 619 H N -0.913 118.028 119.070 -0.215 0.000 2.292 619 H HA -0.221 4.335 4.556 -0.000 0.000 0.292 619 H C 1.688 176.842 175.328 -0.289 0.000 1.100 619 H CA 2.794 58.625 56.048 -0.361 0.000 1.238 619 H CB -0.395 28.974 29.762 -0.656 0.000 1.355 619 H HN 0.393 nan 8.280 nan 0.000 0.484 620 W N -0.103 121.264 121.300 0.111 0.000 2.584 620 W HA 0.004 4.664 4.660 -0.000 0.000 0.264 620 W C 2.351 178.890 176.519 0.033 0.000 1.264 620 W CA -0.111 57.252 57.345 0.030 0.000 1.306 620 W CB 0.135 29.548 29.460 -0.078 0.000 1.110 620 W HN 0.254 nan 8.180 nan 0.000 0.606 621 L N 0.409 121.775 121.223 0.239 0.000 2.072 621 L HA -0.209 4.131 4.340 -0.000 0.000 0.205 621 L C 2.385 179.403 176.870 0.247 0.000 1.079 621 L CA 1.531 56.514 54.840 0.238 0.000 0.752 621 L CB -0.442 41.728 42.059 0.185 0.000 0.906 621 L HN 0.074 nan 8.230 nan 0.000 0.436 622 Q N -0.185 119.692 119.800 0.128 0.000 2.045 622 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 622 Q C 2.105 178.170 176.000 0.107 0.000 0.991 622 Q CA 1.674 57.528 55.803 0.084 0.000 0.851 622 Q CB -0.086 28.620 28.738 -0.053 0.000 0.911 622 Q HN 0.461 nan 8.270 nan 0.000 0.418 623 I N -0.064 120.564 120.570 0.096 0.000 2.226 623 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 623 I C 2.203 178.423 176.117 0.171 0.000 1.100 623 I CA 1.265 62.644 61.300 0.131 0.000 1.374 623 I CB -1.114 37.031 38.000 0.241 0.000 1.057 623 I HN 0.167 nan 8.210 nan 0.000 0.413 624 F N 2.368 122.385 119.950 0.112 0.000 2.075 624 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 624 F C 2.575 178.447 175.800 0.121 0.000 1.113 624 F CA 2.299 60.354 58.000 0.092 0.000 1.218 624 F CB -0.370 38.664 39.000 0.056 0.000 0.984 624 F HN -0.040 nan 8.300 nan 0.000 0.472 625 V N -0.890 119.186 119.914 0.270 0.000 2.407 625 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 625 V C 2.190 178.389 176.094 0.175 0.000 1.055 625 V CA 1.905 64.365 62.300 0.267 0.000 1.049 625 V CB -1.418 30.681 31.823 0.460 0.000 0.662 625 V HN 0.495 nan 8.190 nan 0.000 0.455 626 Q N 1.193 121.083 119.800 0.149 0.000 2.020 626 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 626 Q C 2.392 178.451 176.000 0.098 0.000 0.982 626 Q CA 2.292 58.173 55.803 0.130 0.000 0.838 626 Q CB -0.433 28.369 28.738 0.107 0.000 0.899 626 Q HN 0.666 nan 8.270 nan 0.000 0.423 627 R N -1.060 119.468 120.500 0.046 0.000 2.066 627 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 627 R C 2.276 178.558 176.300 -0.029 0.000 1.131 627 R CA 1.304 57.458 56.100 0.089 0.000 0.955 627 R CB -0.571 29.767 30.300 0.064 0.000 0.851 627 R HN 0.300 nan 8.270 nan 0.000 0.432 628 F N 0.390 120.068 119.950 -0.453 0.000 2.051 628 F HA -0.212 4.315 4.527 -0.000 0.000 0.296 628 F C 1.660 177.235 175.800 -0.375 0.000 1.122 628 F CA 1.523 59.142 58.000 -0.634 0.000 1.201 628 F CB -0.288 37.926 39.000 -1.309 0.000 0.978 628 F HN -0.076 nan 8.300 nan 0.000 0.472 629 Y N -1.426 118.675 120.300 -0.332 0.000 2.519 629 Y HA 0.063 4.613 4.550 -0.000 0.000 0.287 629 Y C 2.473 178.257 175.900 -0.195 0.000 1.128 629 Y CA 0.882 58.768 58.100 -0.356 0.000 1.282 629 Y CB -0.307 37.788 38.460 -0.609 0.000 1.027 629 Y HN 0.145 nan 8.280 nan 0.000 0.551 630 S N -1.499 114.233 115.700 0.053 0.000 3.142 630 S HA -0.018 4.452 4.470 -0.000 0.000 0.223 630 S C 1.652 176.321 174.600 0.115 0.000 0.939 630 S CA -0.140 58.122 58.200 0.103 0.000 0.826 630 S CB -0.868 62.425 63.200 0.156 0.000 0.823 630 S HN 0.243 nan 8.310 nan 0.000 0.612 631 F N 3.371 123.337 119.950 0.027 0.000 2.134 631 F HA 0.011 4.537 4.527 -0.000 0.000 0.299 631 F C 2.324 178.203 175.800 0.132 0.000 1.097 631 F CA 2.228 60.279 58.000 0.085 0.000 1.264 631 F CB -0.430 38.622 39.000 0.088 0.000 1.001 631 F HN 0.391 nan 8.300 nan 0.000 0.479 632 S N -1.180 114.395 115.700 -0.208 0.000 2.524 632 S HA -0.029 4.441 4.470 -0.000 0.000 0.216 632 S C 1.754 176.097 174.600 -0.428 0.000 0.987 632 S CA 0.416 58.380 58.200 -0.394 0.000 0.909 632 S CB -0.222 62.897 63.200 -0.135 0.000 0.781 632 S HN 0.470 nan 8.310 nan 0.000 0.521 633 Q N 2.189 121.825 119.800 -0.273 0.000 2.119 633 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 633 Q C 1.700 177.581 176.000 -0.198 0.000 0.972 633 Q CA 1.841 57.525 55.803 -0.199 0.000 0.847 633 Q CB -0.965 27.705 28.738 -0.113 0.000 0.903 633 Q HN 0.755 nan 8.270 nan 0.000 0.433 634 F N -0.211 119.554 119.950 -0.307 0.000 2.202 634 F HA -0.061 4.466 4.527 -0.000 0.000 0.301 634 F C 1.573 177.163 175.800 -0.351 0.000 1.082 634 F CA 1.311 59.110 58.000 -0.335 0.000 1.313 634 F CB -0.377 38.365 39.000 -0.430 0.000 1.024 634 F HN -0.050 nan 8.300 nan 0.000 0.495 635 K N 0.946 120.570 120.400 -1.292 0.000 2.025 635 K HA -0.124 4.195 4.320 -0.000 0.000 0.207 635 K C 2.217 178.649 176.600 -0.280 0.000 1.049 635 K CA 1.780 57.541 56.287 -0.878 0.000 0.933 635 K CB -0.275 31.724 32.500 -0.834 0.000 0.714 635 K HN 0.450 nan 8.250 nan 0.000 0.438 636 R N 0.082 120.438 120.500 -0.240 0.000 2.307 636 R HA 0.076 4.416 4.340 -0.000 0.000 0.199 636 R C 1.962 178.235 176.300 -0.044 0.000 1.000 636 R CA 0.958 57.003 56.100 -0.092 0.000 1.023 636 R CB -0.062 30.209 30.300 -0.049 0.000 0.908 636 R HN -0.092 nan 8.270 nan 0.000 0.473 637 S N 0.674 116.337 115.700 -0.061 0.000 2.406 637 S HA 0.102 4.572 4.470 -0.000 0.000 0.228 637 S C 1.093 175.707 174.600 0.023 0.000 1.020 637 S CA 0.753 58.944 58.200 -0.016 0.000 0.965 637 S CB 0.032 63.221 63.200 -0.018 0.000 0.798 637 S HN 0.558 nan 8.310 nan 0.000 0.488 638 A N 1.631 124.490 122.820 0.064 0.000 3.158 638 A HA 0.581 4.901 4.320 -0.000 0.000 0.319 638 A C -0.621 176.986 177.584 0.039 0.000 1.204 638 A CA -0.471 51.611 52.037 0.075 0.000 0.992 638 A CB -0.133 18.951 19.000 0.140 0.000 1.110 638 A HN 0.360 nan 8.150 nan 0.000 0.519 639 L N 1.818 123.048 121.223 0.011 0.000 2.326 639 L HA 0.519 4.859 4.340 -0.000 0.000 0.278 639 L C -2.070 174.787 176.870 -0.022 0.000 1.092 639 L CA -1.505 53.327 54.840 -0.013 0.000 0.810 639 L CB 0.647 42.695 42.059 -0.019 0.000 1.153 639 L HN 0.297 nan 8.230 nan 0.000 0.439 640 P HA 0.134 nan 4.420 nan 0.000 0.271 640 P C -0.977 176.265 177.300 -0.097 0.000 1.244 640 P CA -0.339 62.736 63.100 -0.042 0.000 0.793 640 P CB 0.368 32.039 31.700 -0.048 0.000 0.984 641 N N -0.491 118.143 118.700 -0.109 0.000 2.467 641 N HA 0.578 5.318 4.740 -0.000 0.000 0.262 641 N C 0.349 175.463 175.510 -0.660 0.000 1.234 641 N CA 0.266 53.198 53.050 -0.196 0.000 0.952 641 N CB 0.454 38.960 38.487 0.031 0.000 1.158 641 N HN 0.640 nan 8.380 nan 0.000 0.463 642 G N -0.125 108.308 108.800 -0.612 0.000 2.355 642 G HA2 0.328 4.288 3.960 -0.000 0.000 0.296 642 G HA3 0.328 4.288 3.960 -0.000 0.000 0.296 642 G C -3.183 171.590 174.900 -0.211 0.000 1.507 642 G CA -0.781 43.852 45.100 -0.779 0.000 0.823 642 G HN 0.410 nan 8.290 nan 0.000 0.569 643 P HA 0.340 nan 4.420 nan 0.000 0.288 643 P C -0.393 176.905 177.300 -0.003 0.000 1.267 643 P CA -0.501 62.614 63.100 0.025 0.000 0.815 643 P CB 1.801 33.547 31.700 0.075 0.000 0.989 644 K N 1.728 122.132 120.400 0.007 0.000 2.436 644 K HA 0.128 4.448 4.320 -0.000 0.000 0.275 644 K C 0.039 176.649 176.600 0.018 0.000 0.999 644 K CA -0.135 56.157 56.287 0.009 0.000 0.980 644 K CB 0.487 32.999 32.500 0.020 0.000 0.919 644 K HN 0.178 nan 8.250 nan 0.000 0.484 645 V N 1.651 121.577 119.914 0.020 0.000 3.029 645 V HA 0.012 4.132 4.120 -0.000 0.000 0.230 645 V C 0.561 176.697 176.094 0.070 0.000 1.254 645 V CA 0.398 62.716 62.300 0.031 0.000 1.276 645 V CB 0.856 32.688 31.823 0.015 0.000 1.080 645 V HN 0.858 nan 8.190 nan 0.000 0.495 646 S N 0.020 115.777 115.700 0.096 0.000 2.616 646 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 646 S C 1.217 175.914 174.600 0.162 0.000 1.234 646 S CA -0.212 58.100 58.200 0.187 0.000 1.028 646 S CB 0.762 64.146 63.200 0.306 0.000 0.988 646 S HN 0.671 nan 8.310 nan 0.000 0.522 647 H N 2.859 122.013 119.070 0.141 0.000 2.529 647 H HA 0.078 4.634 4.556 -0.000 0.000 0.277 647 H C 1.679 177.017 175.328 0.017 0.000 0.999 647 H CA 1.197 57.292 56.048 0.078 0.000 1.256 647 H CB -0.762 29.051 29.762 0.084 0.000 1.402 647 H HN 0.730 nan 8.280 nan 0.000 0.566 648 G N 0.614 109.125 108.800 -0.482 0.000 2.462 648 G HA2 0.125 4.085 3.960 -0.000 0.000 0.220 648 G HA3 0.125 4.085 3.960 -0.000 0.000 0.220 648 G C 0.737 175.374 174.900 -0.438 0.000 1.121 648 G CA 0.811 45.518 45.100 -0.655 0.000 0.758 648 G HN 0.934 nan 8.290 nan 0.000 0.559 649 G N -2.227 106.485 108.800 -0.148 0.000 2.408 649 G HA2 0.520 4.480 3.960 -0.000 0.000 0.682 649 G HA3 0.520 4.480 3.960 -0.000 0.000 0.682 649 G C -0.596 174.293 174.900 -0.019 0.000 1.303 649 G CA -0.169 44.876 45.100 -0.091 0.000 0.966 649 G HN 1.411 nan 8.290 nan 0.000 0.560 650 A N -1.402 121.411 122.820 -0.011 0.000 2.530 650 A HA 0.894 5.214 4.320 -0.000 0.000 0.288 650 A C 0.076 177.674 177.584 0.024 0.000 1.172 650 A CA -0.342 51.692 52.037 -0.005 0.000 0.733 650 A CB 1.276 20.277 19.000 0.003 0.000 1.320 650 A HN 1.444 nan 8.150 nan 0.000 0.419 651 L N 0.972 122.212 121.223 0.030 0.000 3.110 651 L HA 0.227 4.567 4.340 -0.000 0.000 0.266 651 L C 0.899 177.831 176.870 0.103 0.000 1.257 651 L CA 0.111 55.002 54.840 0.085 0.000 1.038 651 L CB 0.712 42.800 42.059 0.048 0.000 1.395 651 L HN 0.653 nan 8.230 nan 0.000 0.566 652 S N 1.772 117.515 115.700 0.071 0.000 2.533 652 S HA 0.158 4.628 4.470 -0.000 0.000 0.282 652 S C -1.104 173.542 174.600 0.076 0.000 1.304 652 S CA -0.968 57.262 58.200 0.050 0.000 1.063 652 S CB 0.766 63.979 63.200 0.021 0.000 0.881 652 S HN 0.113 nan 8.310 nan 0.000 0.493 653 P HA 0.036 nan 4.420 nan 0.000 0.241 653 P C 0.470 177.777 177.300 0.012 0.000 1.191 653 P CA 0.451 63.570 63.100 0.032 0.000 0.771 653 P CB 0.078 31.783 31.700 0.009 0.000 0.929 654 R N -0.702 119.809 120.500 0.019 0.000 2.297 654 R HA 0.231 4.571 4.340 -0.000 0.000 0.197 654 R C 1.775 178.089 176.300 0.023 0.000 0.943 654 R CA 0.676 56.785 56.100 0.015 0.000 1.038 654 R CB -0.023 30.286 30.300 0.015 0.000 0.957 654 R HN 0.233 nan 8.270 nan 0.000 0.484 655 G N 0.486 109.309 108.800 0.038 0.000 3.069 655 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.205 655 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.205 655 G C -0.041 174.900 174.900 0.069 0.000 1.771 655 G CA -0.171 44.957 45.100 0.046 0.000 0.739 655 G HN -0.049 nan 8.290 nan 0.000 0.784 656 D N -1.092 119.367 120.400 0.098 0.000 2.312 656 D HA 0.056 4.696 4.640 -0.000 0.000 0.211 656 D C -0.016 176.449 176.300 0.275 0.000 0.964 656 D CA 0.612 54.695 54.000 0.139 0.000 0.877 656 D CB 0.398 41.262 40.800 0.107 0.000 0.924 656 D HN 0.181 nan 8.370 nan 0.000 0.515 657 W N 1.717 123.019 121.300 0.003 0.000 2.664 657 W HA 0.309 4.969 4.660 -0.000 0.000 0.314 657 W C -1.266 175.251 176.519 -0.004 0.000 1.010 657 W CA -0.700 56.654 57.345 0.014 0.000 1.306 657 W CB 0.612 30.098 29.460 0.042 0.000 1.254 657 W HN -0.333 nan 8.180 nan 0.000 0.404 658 R N 4.152 124.429 120.500 -0.371 0.000 2.215 658 R HA 0.692 5.032 4.340 -0.000 0.000 0.336 658 R C -0.284 175.622 176.300 -0.655 0.000 0.996 658 R CA -0.234 55.642 56.100 -0.373 0.000 0.847 658 R CB 1.561 31.735 30.300 -0.211 0.000 1.127 658 R HN 0.343 nan 8.270 nan 0.000 0.465 659 A N 4.124 126.602 122.820 -0.571 0.000 2.566 659 A HA 0.720 5.040 4.320 -0.000 0.000 0.292 659 A C -2.665 174.785 177.584 -0.223 0.000 1.112 659 A CA -1.665 50.078 52.037 -0.489 0.000 0.707 659 A CB 1.482 20.099 19.000 -0.639 0.000 1.302 659 A HN 0.395 nan 8.150 nan 0.000 0.409 660 P HA 0.378 nan 4.420 nan 0.000 0.275 660 P C 0.219 177.490 177.300 -0.050 0.000 1.228 660 P CA -0.136 62.922 63.100 -0.070 0.000 0.786 660 P CB 1.107 32.786 31.700 -0.034 0.000 0.927 661 S N 0.027 115.704 115.700 -0.038 0.000 2.556 661 S HA 0.018 4.488 4.470 -0.000 0.000 0.216 661 S C 0.246 174.831 174.600 -0.025 0.000 0.970 661 S CA 0.077 58.264 58.200 -0.021 0.000 0.912 661 S CB -0.367 62.830 63.200 -0.005 0.000 0.790 661 S HN 0.638 nan 8.310 nan 0.000 0.504 662 D N 0.557 120.946 120.400 -0.019 0.000 2.895 662 D HA 0.282 4.922 4.640 -0.000 0.000 0.350 662 D C -0.279 176.030 176.300 0.015 0.000 1.389 662 D CA -0.147 53.844 54.000 -0.015 0.000 0.812 662 D CB -0.270 40.513 40.800 -0.028 0.000 1.164 662 D HN 0.213 nan 8.370 nan 0.000 0.455 663 M N 1.208 120.831 119.600 0.039 0.000 2.383 663 M HA 0.379 4.859 4.480 -0.000 0.000 0.325 663 M C -0.177 176.189 176.300 0.110 0.000 1.092 663 M CA -0.544 54.803 55.300 0.079 0.000 0.961 663 M CB 2.085 34.747 32.600 0.103 0.000 1.672 663 M HN 0.081 nan 8.290 nan 0.000 0.438 664 S N 3.020 118.796 115.700 0.127 0.000 2.645 664 S HA 0.620 5.090 4.470 -0.000 0.000 0.266 664 S C 0.305 175.057 174.600 0.254 0.000 1.258 664 S CA -0.082 58.212 58.200 0.156 0.000 0.990 664 S CB 1.440 64.714 63.200 0.124 0.000 0.967 664 S HN 0.799 nan 8.310 nan 0.000 0.556 665 A N 1.224 124.212 122.820 0.281 0.000 2.574 665 A HA 0.349 4.669 4.320 -0.000 0.000 0.283 665 A C 1.788 179.625 177.584 0.422 0.000 1.270 665 A CA -0.398 51.918 52.037 0.465 0.000 0.945 665 A CB -0.465 18.733 19.000 0.331 0.000 1.127 665 A HN 0.923 nan 8.150 nan 0.000 0.522 666 R N 0.689 121.336 120.500 0.245 0.000 2.134 666 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 666 R C 1.901 178.254 176.300 0.087 0.000 1.143 666 R CA 2.471 58.654 56.100 0.138 0.000 0.957 666 R CB -0.482 29.861 30.300 0.072 0.000 0.867 666 R HN 0.790 nan 8.270 nan 0.000 0.441 667 I N -2.706 117.851 120.570 -0.022 0.000 2.439 667 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 667 I C 1.778 177.733 176.117 -0.270 0.000 1.139 667 I CA 0.995 62.139 61.300 -0.261 0.000 1.438 667 I CB -0.559 37.117 38.000 -0.540 0.000 1.085 667 I HN 0.171 nan 8.210 nan 0.000 0.427 668 W N 1.566 122.861 121.300 -0.007 0.000 2.409 668 W HA 0.009 4.669 4.660 -0.000 0.000 0.299 668 W C 2.468 179.038 176.519 0.085 0.000 1.203 668 W CA 0.686 58.060 57.345 0.048 0.000 1.298 668 W CB -0.599 28.909 29.460 0.080 0.000 1.127 668 W HN 0.250 nan 8.180 nan 0.000 0.528 669 L N 0.094 121.509 121.223 0.319 0.000 2.131 669 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 669 L C 1.999 178.934 176.870 0.107 0.000 1.092 669 L CA 1.663 56.620 54.840 0.194 0.000 0.759 669 L CB -0.749 41.405 42.059 0.159 0.000 0.903 669 L HN -0.093 nan 8.230 nan 0.000 0.435 670 D N -0.794 119.647 120.400 0.069 0.000 2.194 670 D HA -0.207 4.433 4.640 -0.000 0.000 0.204 670 D C 2.161 178.468 176.300 0.012 0.000 0.964 670 D CA 0.543 54.556 54.000 0.022 0.000 0.846 670 D CB 0.221 41.016 40.800 -0.008 0.000 0.962 670 D HN 0.182 nan 8.370 nan 0.000 0.490 671 Q N 0.513 120.322 119.800 0.015 0.000 2.096 671 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 671 Q C 1.899 177.934 176.000 0.059 0.000 0.982 671 Q CA 1.667 57.485 55.803 0.024 0.000 0.850 671 Q CB -0.486 28.265 28.738 0.023 0.000 0.901 671 Q HN 0.465 nan 8.270 nan 0.000 0.422 672 I N 0.403 121.028 120.570 0.090 0.000 2.226 672 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 672 I C 1.537 177.663 176.117 0.015 0.000 1.100 672 I CA 1.499 62.841 61.300 0.071 0.000 1.374 672 I CB -0.367 37.691 38.000 0.096 0.000 1.057 672 I HN 0.246 nan 8.210 nan 0.000 0.413 673 D N 0.593 121.002 120.400 0.014 0.000 2.117 673 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 673 D C 2.389 178.678 176.300 -0.019 0.000 0.987 673 D CA 1.192 55.187 54.000 -0.008 0.000 0.829 673 D CB -0.014 40.785 40.800 -0.002 0.000 0.961 673 D HN 0.213 nan 8.370 nan 0.000 0.460 674 R N -0.106 120.387 120.500 -0.012 0.000 2.100 674 R HA 0.035 4.375 4.340 -0.000 0.000 0.220 674 R C 1.546 177.834 176.300 -0.021 0.000 1.091 674 R CA 0.798 56.888 56.100 -0.018 0.000 0.986 674 R CB 0.174 30.464 30.300 -0.017 0.000 0.888 674 R HN 0.129 nan 8.270 nan 0.000 0.444 675 E N -0.002 120.192 120.200 -0.010 0.000 2.290 675 E HA 0.080 4.429 4.350 -0.000 0.000 0.199 675 E C 0.196 176.781 176.600 -0.024 0.000 0.912 675 E CA 0.343 56.748 56.400 0.007 0.000 0.924 675 E CB 0.473 30.200 29.700 0.045 0.000 0.901 675 E HN -0.053 nan 8.360 nan 0.000 0.487 676 V N 5.137 124.994 119.914 -0.096 0.000 2.408 676 V HA 0.184 4.304 4.120 -0.000 0.000 0.267 676 V C -2.219 173.668 176.094 -0.344 0.000 1.047 676 V CA -1.661 60.437 62.300 -0.337 0.000 0.937 676 V CB 0.684 32.346 31.823 -0.268 0.000 0.999 676 V HN -0.015 nan 8.190 nan 0.000 0.472 677 P HA 0.118 nan 4.420 nan 0.000 0.268 677 P C 0.583 177.739 177.300 -0.241 0.000 1.208 677 P CA -0.236 62.691 63.100 -0.289 0.000 0.777 677 P CB 0.890 32.421 31.700 -0.281 0.000 0.875 678 K N 0.222 120.539 120.400 -0.138 0.000 2.365 678 K HA 0.098 4.418 4.320 -0.000 0.000 0.199 678 K C 0.945 177.494 176.600 -0.084 0.000 1.045 678 K CA 0.915 57.143 56.287 -0.098 0.000 0.962 678 K CB -0.117 32.346 32.500 -0.061 0.000 0.759 678 K HN 0.730 nan 8.250 nan 0.000 0.469 679 G N 0.000 108.751 108.800 -0.082 0.000 5.446 679 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 679 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 679 G CA 0.000 45.077 45.100 -0.039 0.000 0.502 679 G HN 0.000 nan 8.290 nan 0.000 0.925