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_A 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 PGXXXXXHTK NNAIKLARAL GVTFSEIDIG DTARLMLHTI GHXXXXXXXX DATA SEQUENCE XDVTFENVQA GLRTDYLFRI ANQRGGIVLG TGDLSELALG WSTYGVGDQM DATA SEQUENCE SHYNVNAGVP KTLIQHLIRW VISAGEFGEK VGEVLQSVLD TEITXXXXXX 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 0.000 174.591 174.600 -0.015 0.000 1.055 0 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 0 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 1 M N 2.977 122.560 119.600 -0.028 0.000 2.250 1 M HA 0.387 4.867 4.480 0.000 0.000 0.337 1 M C -0.233 176.055 176.300 -0.021 0.000 1.161 1 M CA 0.226 55.494 55.300 -0.053 0.000 1.088 1 M CB -0.105 32.429 32.600 -0.111 0.000 1.639 1 M HN 0.359 nan 8.290 nan 0.000 0.447 2 N N 3.098 121.784 118.700 -0.024 0.000 2.400 2 N HA -0.014 4.726 4.740 0.000 0.000 0.267 2 N C -0.093 175.405 175.510 -0.020 0.000 1.208 2 N CA -0.071 52.994 53.050 0.025 0.000 0.951 2 N CB -0.132 38.386 38.487 0.051 0.000 1.227 2 N HN 0.789 nan 8.380 nan 0.000 0.488 3 F N 4.349 124.197 119.950 -0.169 0.000 2.202 3 F HA -0.166 4.361 4.527 0.000 0.000 0.301 3 F C 0.526 176.223 175.800 -0.172 0.000 1.082 3 F CA 1.470 59.318 58.000 -0.254 0.000 1.313 3 F CB -0.034 38.685 39.000 -0.468 0.000 1.024 3 F HN 0.557 nan 8.300 nan 0.000 0.495 4 Y N -0.699 119.640 120.300 0.065 0.000 2.466 4 Y HA 0.216 4.766 4.550 0.000 0.000 0.272 4 Y C 1.248 177.255 175.900 0.178 0.000 1.169 4 Y CA 0.150 58.343 58.100 0.154 0.000 1.285 4 Y CB -0.613 37.925 38.460 0.130 0.000 1.078 4 Y HN -0.083 nan 8.280 nan 0.000 0.523 5 S N 0.635 116.391 115.700 0.093 0.000 2.439 5 S HA 0.489 4.959 4.470 0.000 0.000 0.282 5 S C 1.378 175.955 174.600 -0.038 0.000 1.170 5 S CA 0.000 58.243 58.200 0.071 0.000 1.054 5 S CB 0.794 64.016 63.200 0.037 0.000 0.956 5 S HN 0.415 nan 8.310 nan 0.000 0.490 6 A N 5.518 128.364 122.820 0.043 0.000 1.940 6 A HA -0.035 4.285 4.320 0.000 0.000 0.219 6 A C 1.550 179.142 177.584 0.015 0.000 1.176 6 A CA 1.445 53.473 52.037 -0.015 0.000 0.631 6 A CB -0.969 17.940 19.000 -0.151 0.000 0.814 6 A HN 0.922 nan 8.150 nan 0.000 0.446 7 Y N -0.055 120.271 120.300 0.045 0.000 2.181 7 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 7 Y C 2.645 178.505 175.900 -0.068 0.000 1.146 7 Y CA 1.943 60.049 58.100 0.010 0.000 1.164 7 Y CB -0.454 38.004 38.460 -0.004 0.000 0.982 7 Y HN 0.408 nan 8.280 nan 0.000 0.515 8 Q N -1.107 118.700 119.800 0.011 0.000 2.437 8 Q HA -0.150 4.190 4.340 0.000 0.000 0.210 8 Q C 0.739 176.509 176.000 -0.383 0.000 0.972 8 Q CA 0.744 56.439 55.803 -0.179 0.000 0.903 8 Q CB -0.028 28.571 28.738 -0.232 0.000 0.967 8 Q HN 0.598 nan 8.270 nan 0.000 0.486 9 H N -1.499 117.415 119.070 -0.259 0.000 2.505 9 H HA 0.186 4.742 4.556 0.000 0.000 0.289 9 H C 0.875 175.985 175.328 -0.363 0.000 1.052 9 H CA 0.641 56.483 56.048 -0.343 0.000 1.156 9 H CB 0.974 30.404 29.762 -0.552 0.000 1.507 9 H HN 0.384 nan 8.280 nan 0.000 0.548 10 G N 1.004 109.695 108.800 -0.181 0.000 2.147 10 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 10 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 10 G C -0.128 174.532 174.900 -0.401 0.000 1.005 10 G CA -0.180 44.767 45.100 -0.255 0.000 0.713 10 G HN 0.219 nan 8.290 nan 0.000 0.515 11 F N -1.033 118.805 119.950 -0.186 0.000 2.371 11 F HA 0.653 5.180 4.527 0.000 0.000 0.329 11 F C 0.692 176.268 175.800 -0.374 0.000 1.107 11 F CA -0.432 57.410 58.000 -0.264 0.000 1.137 11 F CB 1.936 40.757 39.000 -0.299 0.000 1.214 11 F HN 0.084 nan 8.300 nan 0.000 0.536 12 V N 3.877 123.703 119.914 -0.147 0.000 2.577 12 V HA 0.492 4.612 4.120 0.000 0.000 0.303 12 V C -0.796 175.150 176.094 -0.247 0.000 1.042 12 V CA -0.841 61.321 62.300 -0.230 0.000 0.872 12 V CB 1.654 33.310 31.823 -0.279 0.000 0.998 12 V HN 0.787 nan 8.190 nan 0.000 0.423 13 R N 4.547 124.920 120.500 -0.212 0.000 2.308 13 R HA 0.701 5.041 4.340 0.000 0.000 0.305 13 R C -0.820 175.425 176.300 -0.092 0.000 1.053 13 R CA -0.136 55.888 56.100 -0.128 0.000 0.957 13 R CB 1.361 31.624 30.300 -0.062 0.000 1.022 13 R HN 0.798 nan 8.270 nan 0.000 0.461 14 V N 0.748 120.605 119.914 -0.095 0.000 2.876 14 V HA 0.927 5.047 4.120 0.000 0.000 0.312 14 V C -0.919 175.138 176.094 -0.061 0.000 1.085 14 V CA -0.974 61.279 62.300 -0.079 0.000 0.945 14 V CB 1.863 33.634 31.823 -0.086 0.000 1.017 14 V HN 0.856 nan 8.190 nan 0.000 0.428 15 A N 2.890 125.672 122.820 -0.063 0.000 2.356 15 A HA 0.982 5.302 4.320 0.000 0.000 0.310 15 A C -0.050 177.458 177.584 -0.126 0.000 1.075 15 A CA -0.230 51.754 52.037 -0.088 0.000 0.746 15 A CB 1.473 20.417 19.000 -0.093 0.000 1.221 15 A HN 2.268 nan 8.150 nan 0.000 0.443 16 A N 1.372 124.124 122.820 -0.112 0.000 2.260 16 A HA 0.600 4.920 4.320 0.000 0.000 0.314 16 A C -0.308 177.163 177.584 -0.188 0.000 1.257 16 A CA -0.320 51.638 52.037 -0.132 0.000 0.871 16 A CB -0.015 18.973 19.000 -0.020 0.000 1.166 16 A HN 0.985 nan 8.150 nan 0.000 0.522 17 C N 1.030 120.121 119.300 -0.349 0.000 2.456 17 C HA 0.787 5.247 4.460 0.000 0.000 0.325 17 C C 0.656 175.548 174.990 -0.164 0.000 1.217 17 C CA -0.437 58.374 59.018 -0.345 0.000 1.687 17 C CB 1.332 28.616 27.740 -0.760 0.000 2.270 17 C HN 0.847 nan 8.230 nan 0.000 0.499 18 T N 3.026 117.580 114.554 0.000 0.000 2.772 18 T HA 0.426 4.776 4.350 0.000 0.000 0.288 18 T C -0.180 174.652 174.700 0.221 0.000 0.994 18 T CA -0.220 61.958 62.100 0.131 0.000 0.951 18 T CB -0.198 68.725 68.868 0.091 0.000 0.933 18 T HN 0.884 nan 8.240 nan 0.000 0.447 19 H N 2.736 121.892 119.070 0.143 0.000 2.523 19 H HA 0.419 4.975 4.556 0.000 0.000 0.345 19 H C -0.599 174.809 175.328 0.133 0.000 1.261 19 H CA -0.708 55.445 56.048 0.175 0.000 1.343 19 H CB 0.299 30.201 29.762 0.233 0.000 1.650 19 H HN 0.654 nan 8.280 nan 0.000 0.591 20 H N 0.301 119.258 119.070 -0.189 0.000 2.668 20 H HA 0.244 4.800 4.556 0.000 0.000 0.303 20 H C -0.558 174.474 175.328 -0.494 0.000 1.074 20 H CA -0.152 55.726 56.048 -0.283 0.000 1.406 20 H CB 0.222 29.926 29.762 -0.097 0.000 1.442 20 H HN 0.592 nan 8.280 nan 0.000 0.482 21 T N 4.956 118.900 114.554 -1.017 0.000 2.884 21 T HA 0.168 4.518 4.350 0.000 0.000 0.298 21 T C -0.157 174.147 174.700 -0.659 0.000 0.998 21 T CA -0.157 61.509 62.100 -0.723 0.000 1.124 21 T CB 0.388 68.937 68.868 -0.532 0.000 0.931 21 T HN 0.674 nan 8.240 nan 0.000 0.531 22 T N 4.593 118.970 114.554 -0.294 0.000 2.977 22 T HA 0.387 4.737 4.350 0.000 0.000 0.346 22 T C 0.781 175.415 174.700 -0.111 0.000 1.140 22 T CA -0.706 61.299 62.100 -0.160 0.000 1.040 22 T CB -0.294 68.550 68.868 -0.040 0.000 1.046 22 T HN 0.601 nan 8.240 nan 0.000 0.494 23 I N -0.173 120.322 120.570 -0.126 0.000 2.752 23 I HA 0.428 4.598 4.170 0.000 0.000 0.289 23 I C 1.233 177.316 176.117 -0.057 0.000 1.197 23 I CA 0.201 61.443 61.300 -0.096 0.000 1.432 23 I CB -0.207 37.731 38.000 -0.103 0.000 1.359 23 I HN 0.789 nan 8.210 nan 0.000 0.571 24 G N 3.674 112.447 108.800 -0.046 0.000 2.153 24 G HA2 -0.290 3.670 3.960 0.000 0.000 0.252 24 G HA3 -0.290 3.670 3.960 0.000 0.000 0.252 24 G C -0.066 174.820 174.900 -0.024 0.000 0.994 24 G CA 0.499 45.580 45.100 -0.032 0.000 0.698 24 G HN 0.974 nan 8.290 nan 0.000 0.521 25 D N -0.415 119.971 120.400 -0.024 0.000 2.400 25 D HA 0.450 5.091 4.640 0.000 0.000 0.272 25 D C -1.173 175.120 176.300 -0.011 0.000 1.220 25 D CA -1.840 52.151 54.000 -0.015 0.000 0.897 25 D CB 1.179 41.974 40.800 -0.010 0.000 1.134 25 D HN 0.105 nan 8.370 nan 0.000 0.507 26 P HA -0.028 nan 4.420 nan 0.000 0.220 26 P C 1.179 178.467 177.300 -0.019 0.000 1.148 26 P CA 0.729 63.819 63.100 -0.018 0.000 0.803 26 P CB 0.347 32.034 31.700 -0.023 0.000 0.782 27 A N 0.127 122.938 122.820 -0.014 0.000 1.972 27 A HA -0.047 4.273 4.320 0.000 0.000 0.219 27 A C 2.301 179.883 177.584 -0.004 0.000 1.169 27 A CA 1.939 53.968 52.037 -0.014 0.000 0.635 27 A CB -1.445 17.548 19.000 -0.011 0.000 0.810 27 A HN 0.213 nan 8.150 nan 0.000 0.446 28 A N 0.360 123.184 122.820 0.007 0.000 1.898 28 A HA -0.133 4.187 4.320 0.000 0.000 0.214 28 A C 1.834 179.446 177.584 0.046 0.000 1.183 28 A CA 1.495 53.549 52.037 0.028 0.000 0.622 28 A CB -0.746 18.275 19.000 0.035 0.000 0.824 28 A HN 0.668 nan 8.150 nan 0.000 0.444 29 N N 0.517 119.241 118.700 0.040 0.000 2.149 29 N HA -0.097 4.643 4.740 0.000 0.000 0.188 29 N C 1.846 177.365 175.510 0.015 0.000 1.019 29 N CA 1.281 54.383 53.050 0.087 0.000 0.857 29 N CB -0.256 38.278 38.487 0.078 0.000 0.997 29 N HN 0.493 nan 8.380 nan 0.000 0.426 30 A N 0.934 123.731 122.820 -0.039 0.000 1.930 30 A HA 0.074 4.394 4.320 0.000 0.000 0.217 30 A C 2.290 179.835 177.584 -0.064 0.000 1.175 30 A CA 1.514 53.497 52.037 -0.090 0.000 0.627 30 A CB -0.779 18.174 19.000 -0.078 0.000 0.815 30 A HN 0.336 nan 8.150 nan 0.000 0.443 31 A N -0.913 121.896 122.820 -0.018 0.000 2.015 31 A HA -0.041 4.279 4.320 0.000 0.000 0.219 31 A C 2.413 180.011 177.584 0.023 0.000 1.163 31 A CA 2.003 54.040 52.037 -0.001 0.000 0.646 31 A CB -0.688 18.319 19.000 0.011 0.000 0.806 31 A HN 0.528 nan 8.150 nan 0.000 0.448 32 S N -0.739 114.995 115.700 0.057 0.000 2.345 32 S HA -0.098 4.372 4.470 0.000 0.000 0.219 32 S C 1.937 176.594 174.600 0.096 0.000 1.031 32 S CA 1.386 59.657 58.200 0.118 0.000 0.984 32 S CB -0.512 62.818 63.200 0.216 0.000 0.874 32 S HN 0.273 nan 8.310 nan 0.000 0.451 33 V N 2.425 122.316 119.914 -0.037 0.000 2.252 33 V HA -0.192 3.928 4.120 0.000 0.000 0.249 33 V C 2.516 178.529 176.094 -0.135 0.000 1.056 33 V CA 2.152 64.269 62.300 -0.306 0.000 1.022 33 V CB -0.813 30.597 31.823 -0.688 0.000 0.641 33 V HN 0.560 nan 8.190 nan 0.000 0.445 34 L N 0.510 121.673 121.223 -0.100 0.000 2.042 34 L HA -0.223 4.118 4.340 0.000 0.000 0.210 34 L C 2.070 178.954 176.870 0.023 0.000 1.076 34 L CA 2.666 57.481 54.840 -0.042 0.000 0.749 34 L CB -0.897 41.135 42.059 -0.045 0.000 0.893 34 L HN 0.447 nan 8.230 nan 0.000 0.432 35 D N -1.159 119.266 120.400 0.042 0.000 2.117 35 D HA -0.226 4.414 4.640 0.000 0.000 0.197 35 D C 2.154 178.519 176.300 0.108 0.000 0.987 35 D CA 1.803 55.842 54.000 0.065 0.000 0.829 35 D CB -0.039 40.798 40.800 0.062 0.000 0.961 35 D HN 0.395 nan 8.370 nan 0.000 0.460 36 M N -0.098 119.605 119.600 0.171 0.000 2.117 36 M HA -0.094 4.386 4.480 0.000 0.000 0.262 36 M C 2.375 178.817 176.300 0.236 0.000 1.065 36 M CA 1.368 56.803 55.300 0.226 0.000 1.114 36 M CB -0.300 32.519 32.600 0.366 0.000 1.361 36 M HN 0.078 nan 8.290 nan 0.000 0.408 37 A N 0.651 123.644 122.820 0.287 0.000 1.940 37 A HA -0.163 4.157 4.320 0.000 0.000 0.219 37 A C 2.178 179.859 177.584 0.162 0.000 1.176 37 A CA 1.513 53.694 52.037 0.240 0.000 0.631 37 A CB -0.644 18.461 19.000 0.174 0.000 0.814 37 A HN 0.444 nan 8.150 nan 0.000 0.446 38 R N -0.728 119.840 120.500 0.114 0.000 2.115 38 R HA -0.043 4.297 4.340 0.000 0.000 0.230 38 R C 2.356 178.734 176.300 0.129 0.000 1.111 38 R CA 1.075 57.228 56.100 0.087 0.000 0.976 38 R CB -0.360 29.961 30.300 0.036 0.000 0.870 38 R HN 0.530 nan 8.270 nan 0.000 0.445 39 A N 0.382 123.271 122.820 0.115 0.000 1.970 39 A HA -0.099 4.221 4.320 0.000 0.000 0.216 39 A C 2.342 179.985 177.584 0.099 0.000 1.170 39 A CA 0.845 52.941 52.037 0.098 0.000 0.645 39 A CB -0.488 18.558 19.000 0.077 0.000 0.816 39 A HN 0.367 nan 8.150 nan 0.000 0.447 40 C N -1.515 117.851 119.300 0.110 0.000 2.432 40 C HA -0.077 4.383 4.460 0.000 0.000 0.277 40 C C 2.601 177.660 174.990 0.114 0.000 1.249 40 C CA 1.267 60.340 59.018 0.093 0.000 1.725 40 C CB -1.510 26.286 27.740 0.093 0.000 2.028 40 C HN 0.850 nan 8.230 nan 0.000 0.477 41 H N 1.214 120.322 119.070 0.064 0.000 2.319 41 H HA -0.166 4.390 4.556 0.000 0.000 0.297 41 H C 1.638 176.998 175.328 0.053 0.000 1.097 41 H CA 2.320 58.404 56.048 0.059 0.000 1.285 41 H CB -0.240 29.552 29.762 0.050 0.000 1.368 41 H HN 0.386 nan 8.280 nan 0.000 0.495 42 D N 0.046 120.560 120.400 0.189 0.000 2.178 42 D HA -0.112 4.528 4.640 0.000 0.000 0.202 42 D C 1.307 177.629 176.300 0.037 0.000 0.974 42 D CA 1.117 55.190 54.000 0.121 0.000 0.841 42 D CB -0.328 40.548 40.800 0.127 0.000 0.953 42 D HN 0.512 nan 8.370 nan 0.000 0.478 43 D N -0.326 120.095 120.400 0.035 0.000 2.363 43 D HA 0.077 4.717 4.640 0.000 0.000 0.226 43 D C 1.211 177.522 176.300 0.018 0.000 1.020 43 D CA 0.631 54.643 54.000 0.021 0.000 0.892 43 D CB -0.097 40.715 40.800 0.019 0.000 0.900 43 D HN 0.220 nan 8.370 nan 0.000 0.531 44 G N 0.655 109.446 108.800 -0.015 0.000 2.295 44 G HA2 -0.208 3.752 3.960 0.000 0.000 0.287 44 G HA3 -0.208 3.752 3.960 0.000 0.000 0.287 44 G C 0.418 175.385 174.900 0.112 0.000 1.055 44 G CA 0.271 45.378 45.100 0.012 0.000 0.922 44 G HN 0.563 nan 8.290 nan 0.000 0.503 45 A N -0.462 122.399 122.820 0.068 0.000 2.401 45 A HA 0.817 5.137 4.320 0.000 0.000 0.259 45 A C 1.502 179.156 177.584 0.116 0.000 1.103 45 A CA 0.902 52.990 52.037 0.086 0.000 0.789 45 A CB 0.809 19.835 19.000 0.045 0.000 1.035 45 A HN 1.774 nan 8.150 nan 0.000 0.491 46 A N 1.971 124.872 122.820 0.136 0.000 2.016 46 A HA 0.380 4.700 4.320 0.000 0.000 0.217 46 A C 0.539 178.214 177.584 0.152 0.000 1.162 46 A CA 1.168 53.292 52.037 0.144 0.000 0.662 46 A CB -0.214 18.836 19.000 0.084 0.000 0.812 46 A HN 1.336 nan 8.150 nan 0.000 0.450 47 L N -1.926 119.345 121.223 0.080 0.000 2.482 47 L HA 0.731 5.071 4.340 0.000 0.000 0.263 47 L C -1.026 175.866 176.870 0.037 0.000 0.957 47 L CA -0.254 54.644 54.840 0.096 0.000 0.836 47 L CB 1.923 44.050 42.059 0.115 0.000 1.324 47 L HN 0.151 nan 8.230 nan 0.000 0.406 48 A N 4.603 127.448 122.820 0.041 0.000 2.357 48 A HA 0.753 5.073 4.320 0.000 0.000 0.295 48 A C -1.497 176.037 177.584 -0.083 0.000 1.121 48 A CA -0.511 51.495 52.037 -0.053 0.000 0.742 48 A CB 1.381 20.393 19.000 0.019 0.000 1.181 48 A HN 0.496 nan 8.150 nan 0.000 0.454 49 V N 3.172 122.956 119.914 -0.216 0.000 2.427 49 V HA 0.542 4.662 4.120 0.000 0.000 0.286 49 V C -0.494 175.395 176.094 -0.341 0.000 1.034 49 V CA -0.093 62.119 62.300 -0.147 0.000 0.893 49 V CB 0.702 32.462 31.823 -0.105 0.000 0.982 49 V HN 0.737 nan 8.190 nan 0.000 0.452 50 F N 4.928 124.825 119.950 -0.089 0.000 2.509 50 F HA 0.648 5.175 4.527 0.000 0.000 0.334 50 F C -2.035 173.700 175.800 -0.109 0.000 1.060 50 F CA -2.528 55.405 58.000 -0.112 0.000 0.997 50 F CB 1.143 40.027 39.000 -0.193 0.000 1.271 50 F HN 0.300 nan 8.300 nan 0.000 0.488 51 P HA 0.040 nan 4.420 nan 0.000 0.272 51 P C -0.878 176.445 177.300 0.038 0.000 1.240 51 P CA -0.501 62.623 63.100 0.040 0.000 0.791 51 P CB 0.383 32.153 31.700 0.116 0.000 0.978 52 E N 1.439 121.652 120.200 0.022 0.000 2.502 52 E HA -0.056 4.294 4.350 0.000 0.000 0.261 52 E C 0.217 176.895 176.600 0.131 0.000 0.974 52 E CA 0.023 56.467 56.400 0.073 0.000 0.936 52 E CB -0.369 29.373 29.700 0.070 0.000 0.926 52 E HN 0.357 nan 8.360 nan 0.000 0.459 53 L N 3.667 124.962 121.223 0.121 0.000 3.976 53 L HA -0.370 3.970 4.340 0.000 0.000 0.418 53 L C 1.341 178.243 176.870 0.053 0.000 1.177 53 L CA 0.572 55.471 54.840 0.098 0.000 0.968 53 L CB -2.206 39.941 42.059 0.145 0.000 1.933 53 L HN 0.814 nan 8.230 nan 0.000 0.976 54 T N -0.742 113.815 114.554 0.005 0.000 2.656 54 T HA -0.299 4.051 4.350 0.000 0.000 0.262 54 T C 1.576 176.237 174.700 -0.065 0.000 1.070 54 T CA 2.113 64.148 62.100 -0.108 0.000 1.160 54 T CB -0.182 68.524 68.868 -0.271 0.000 0.855 54 T HN 0.249 nan 8.240 nan 0.000 0.456 55 L N 0.865 122.048 121.223 -0.067 0.000 2.217 55 L HA 0.080 4.420 4.340 0.000 0.000 0.211 55 L C 2.620 179.481 176.870 -0.014 0.000 1.107 55 L CA 1.671 56.479 54.840 -0.053 0.000 0.783 55 L CB -0.714 41.306 42.059 -0.065 0.000 0.919 55 L HN 0.508 nan 8.230 nan 0.000 0.442 56 S N -1.998 113.702 115.700 -0.001 0.000 2.514 56 S HA 0.469 4.939 4.470 0.000 0.000 0.223 56 S C 0.961 175.552 174.600 -0.015 0.000 1.046 56 S CA 0.241 58.437 58.200 -0.008 0.000 0.914 56 S CB 0.397 63.592 63.200 -0.008 0.000 0.807 56 S HN 0.454 nan 8.310 nan 0.000 0.497 57 G N 0.765 109.567 108.800 0.003 0.000 3.055 57 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 57 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 57 G C -0.323 174.576 174.900 -0.002 0.000 1.087 57 G CA -0.158 44.922 45.100 -0.033 0.000 0.779 57 G HN 0.460 nan 8.290 nan 0.000 0.599 58 Y N 1.777 121.999 120.300 -0.130 0.000 2.314 58 Y HA 0.068 4.618 4.550 0.000 0.000 0.293 58 Y C 2.678 178.569 175.900 -0.015 0.000 1.129 58 Y CA 2.422 60.493 58.100 -0.048 0.000 1.201 58 Y CB 0.160 38.613 38.460 -0.011 0.000 0.999 58 Y HN 0.994 nan 8.280 nan 0.000 0.541 59 S N 0.462 116.134 115.700 -0.047 0.000 2.650 59 S HA -0.019 4.451 4.470 0.000 0.000 0.219 59 S C 1.604 176.180 174.600 -0.040 0.000 0.960 59 S CA 0.387 58.602 58.200 0.024 0.000 0.925 59 S CB -1.335 61.902 63.200 0.062 0.000 0.775 59 S HN 0.672 nan 8.310 nan 0.000 0.525 60 I N -2.172 118.342 120.570 -0.093 0.000 3.428 60 I HA 0.121 4.291 4.170 0.000 0.000 0.286 60 I C 0.632 176.705 176.117 -0.073 0.000 1.287 60 I CA 0.095 61.353 61.300 -0.070 0.000 1.396 60 I CB -0.404 37.558 38.000 -0.063 0.000 1.062 60 I HN 0.053 nan 8.210 nan 0.000 0.471 61 E N 1.882 122.022 120.200 -0.100 0.000 3.180 61 E HA -0.311 4.040 4.350 0.000 0.000 0.321 61 E C 0.629 177.191 176.600 -0.063 0.000 1.452 61 E CA 1.924 58.273 56.400 -0.084 0.000 1.710 61 E CB -1.382 28.267 29.700 -0.085 0.000 1.867 61 E HN 0.482 nan 8.360 nan 0.000 0.513 62 D N 0.861 121.229 120.400 -0.053 0.000 2.351 62 D HA -0.023 4.617 4.640 0.000 0.000 0.216 62 D C 1.867 178.146 176.300 -0.034 0.000 0.968 62 D CA 0.835 54.811 54.000 -0.039 0.000 0.899 62 D CB -0.134 40.645 40.800 -0.035 0.000 0.907 62 D HN 0.125 nan 8.370 nan 0.000 0.514 63 V N 0.802 120.694 119.914 -0.038 0.000 2.594 63 V HA -0.205 3.915 4.120 0.000 0.000 0.253 63 V C 2.450 178.527 176.094 -0.029 0.000 1.069 63 V CA 0.874 63.154 62.300 -0.032 0.000 1.082 63 V CB -0.436 31.367 31.823 -0.033 0.000 0.680 63 V HN 0.277 nan 8.190 nan 0.000 0.469 64 L N -0.645 120.556 121.223 -0.035 0.000 2.263 64 L HA -0.178 4.162 4.340 0.000 0.000 0.216 64 L C 1.930 178.790 176.870 -0.018 0.000 1.111 64 L CA 1.356 56.179 54.840 -0.029 0.000 0.773 64 L CB -0.412 41.624 42.059 -0.039 0.000 0.906 64 L HN 0.343 nan 8.230 nan 0.000 0.439 65 L N -0.980 120.232 121.223 -0.019 0.000 2.611 65 L HA 0.076 4.416 4.340 0.000 0.000 0.229 65 L C 0.454 177.318 176.870 -0.010 0.000 1.137 65 L CA -0.229 54.604 54.840 -0.013 0.000 0.901 65 L CB -0.073 41.977 42.059 -0.014 0.000 1.098 65 L HN 0.200 nan 8.230 nan 0.000 0.456 66 Q N 0.267 120.060 119.800 -0.012 0.000 2.267 66 Q HA 0.073 4.413 4.340 0.000 0.000 0.255 66 Q C 0.266 176.262 176.000 -0.007 0.000 0.923 66 Q CA -0.180 55.617 55.803 -0.010 0.000 0.925 66 Q CB 1.590 30.321 28.738 -0.012 0.000 1.195 66 Q HN 0.051 nan 8.270 nan 0.000 0.417 67 D N 1.009 121.406 120.400 -0.005 0.000 2.190 67 D HA -0.125 4.515 4.640 0.000 0.000 0.200 67 D C 1.181 177.478 176.300 -0.005 0.000 0.992 67 D CA 1.401 55.398 54.000 -0.004 0.000 0.854 67 D CB 0.354 41.152 40.800 -0.003 0.000 0.936 67 D HN 0.366 nan 8.370 nan 0.000 0.462 68 S N -0.108 115.588 115.700 -0.006 0.000 2.414 68 S HA 0.006 4.476 4.470 0.000 0.000 0.227 68 S C 1.729 176.324 174.600 -0.008 0.000 1.022 68 S CA -0.154 58.042 58.200 -0.007 0.000 0.958 68 S CB 0.085 63.280 63.200 -0.008 0.000 0.797 68 S HN 0.234 nan 8.310 nan 0.000 0.493 69 L N 2.007 123.224 121.223 -0.009 0.000 1.994 69 L HA -0.066 4.274 4.340 0.000 0.000 0.208 69 L C 1.913 178.779 176.870 -0.008 0.000 1.071 69 L CA 1.902 56.736 54.840 -0.011 0.000 0.745 69 L CB -1.151 40.900 42.059 -0.014 0.000 0.892 69 L HN 0.342 nan 8.230 nan 0.000 0.431 70 L N -0.257 120.964 121.223 -0.004 0.000 2.046 70 L HA -0.240 4.100 4.340 0.000 0.000 0.208 70 L C 2.399 179.268 176.870 -0.001 0.000 1.077 70 L CA 1.385 56.226 54.840 0.002 0.000 0.747 70 L CB -0.753 41.310 42.059 0.007 0.000 0.896 70 L HN 0.267 nan 8.230 nan 0.000 0.432 71 D N 0.293 120.691 120.400 -0.003 0.000 2.097 71 D HA -0.147 4.493 4.640 0.000 0.000 0.195 71 D C 2.278 178.573 176.300 -0.008 0.000 0.989 71 D CA 1.585 55.582 54.000 -0.005 0.000 0.827 71 D CB -0.113 40.683 40.800 -0.006 0.000 0.966 71 D HN 0.289 nan 8.370 nan 0.000 0.456 72 A N 0.803 123.617 122.820 -0.009 0.000 1.908 72 A HA -0.169 4.151 4.320 0.000 0.000 0.218 72 A C 2.577 180.152 177.584 -0.015 0.000 1.181 72 A CA 1.440 53.470 52.037 -0.012 0.000 0.627 72 A CB -0.890 18.102 19.000 -0.012 0.000 0.818 72 A HN 0.142 nan 8.150 nan 0.000 0.445 73 V N 0.098 120.004 119.914 -0.013 0.000 2.252 73 V HA -0.339 3.781 4.120 0.000 0.000 0.249 73 V C 2.450 178.534 176.094 -0.018 0.000 1.056 73 V CA 2.520 64.810 62.300 -0.016 0.000 1.022 73 V CB -0.912 30.907 31.823 -0.007 0.000 0.641 73 V HN 0.673 nan 8.190 nan 0.000 0.445 74 E N -0.336 119.857 120.200 -0.011 0.000 2.118 74 E HA -0.260 4.090 4.350 0.000 0.000 0.195 74 E C 1.941 178.530 176.600 -0.019 0.000 0.992 74 E CA 1.609 58.002 56.400 -0.012 0.000 0.804 74 E CB -0.191 29.504 29.700 -0.007 0.000 0.741 74 E HN 0.631 nan 8.360 nan 0.000 0.458 75 D N 0.055 120.444 120.400 -0.019 0.000 2.123 75 D HA -0.062 4.578 4.640 0.000 0.000 0.200 75 D C 1.858 178.142 176.300 -0.027 0.000 0.976 75 D CA 1.177 55.165 54.000 -0.020 0.000 0.831 75 D CB -0.292 40.498 40.800 -0.017 0.000 0.974 75 D HN 0.152 nan 8.370 nan 0.000 0.469 76 A N 1.201 124.002 122.820 -0.031 0.000 1.902 76 A HA -0.125 4.196 4.320 0.000 0.000 0.217 76 A C 2.162 179.714 177.584 -0.053 0.000 1.181 76 A CA 0.807 52.819 52.037 -0.041 0.000 0.623 76 A CB -0.744 18.230 19.000 -0.043 0.000 0.818 76 A HN 0.256 nan 8.150 nan 0.000 0.443 77 L N -0.329 120.864 121.223 -0.049 0.000 2.017 77 L HA -0.155 4.185 4.340 0.000 0.000 0.208 77 L C 2.436 179.276 176.870 -0.050 0.000 1.073 77 L CA 1.864 56.671 54.840 -0.055 0.000 0.745 77 L CB -0.585 41.449 42.059 -0.043 0.000 0.894 77 L HN 0.452 nan 8.230 nan 0.000 0.432 78 L N -0.271 120.930 121.223 -0.038 0.000 2.079 78 L HA -0.264 4.076 4.340 0.000 0.000 0.210 78 L C 2.161 179.008 176.870 -0.037 0.000 1.081 78 L CA 1.400 56.221 54.840 -0.033 0.000 0.752 78 L CB -0.640 41.404 42.059 -0.025 0.000 0.896 78 L HN 0.271 nan 8.230 nan 0.000 0.433 79 D N -0.116 120.260 120.400 -0.040 0.000 2.149 79 D HA -0.106 4.534 4.640 0.000 0.000 0.201 79 D C 2.392 178.661 176.300 -0.052 0.000 0.972 79 D CA 0.901 54.876 54.000 -0.041 0.000 0.835 79 D CB -0.072 40.705 40.800 -0.038 0.000 0.966 79 D HN 0.202 nan 8.370 nan 0.000 0.476 80 L N 0.126 121.310 121.223 -0.065 0.000 2.131 80 L HA -0.129 4.211 4.340 0.000 0.000 0.210 80 L C 2.247 179.075 176.870 -0.071 0.000 1.092 80 L CA 0.548 55.340 54.840 -0.081 0.000 0.759 80 L CB -0.127 41.864 42.059 -0.113 0.000 0.903 80 L HN -0.004 nan 8.230 nan 0.000 0.435 81 V N -0.825 119.053 119.914 -0.061 0.000 2.358 81 V HA -0.260 3.860 4.120 0.000 0.000 0.246 81 V C 2.508 178.573 176.094 -0.048 0.000 1.047 81 V CA 2.222 64.491 62.300 -0.052 0.000 1.035 81 V CB -0.653 31.145 31.823 -0.042 0.000 0.658 81 V HN 0.457 nan 8.190 nan 0.000 0.452 82 T N -0.483 114.045 114.554 -0.043 0.000 2.708 82 T HA -0.172 4.178 4.350 0.000 0.000 0.266 82 T C 1.889 176.561 174.700 -0.046 0.000 1.037 82 T CA 1.392 63.468 62.100 -0.040 0.000 1.146 82 T CB -0.256 68.592 68.868 -0.034 0.000 0.865 82 T HN 0.422 nan 8.240 nan 0.000 0.435 83 E N 1.477 121.648 120.200 -0.050 0.000 2.204 83 E HA -0.083 4.267 4.350 0.000 0.000 0.195 83 E C 2.533 179.097 176.600 -0.059 0.000 0.990 83 E CA 1.125 57.493 56.400 -0.054 0.000 0.821 83 E CB -0.457 29.210 29.700 -0.054 0.000 0.750 83 E HN 0.642 nan 8.360 nan 0.000 0.477 84 S N 0.458 116.123 115.700 -0.058 0.000 2.507 84 S HA 0.021 4.491 4.470 0.000 0.000 0.235 84 S C 2.099 176.651 174.600 -0.080 0.000 0.988 84 S CA 0.765 58.930 58.200 -0.059 0.000 0.944 84 S CB -0.042 63.126 63.200 -0.054 0.000 0.762 84 S HN 0.223 nan 8.310 nan 0.000 0.526 85 A N 2.318 125.094 122.820 -0.074 0.000 1.948 85 A HA -0.144 4.176 4.320 0.000 0.000 0.220 85 A C 1.676 179.217 177.584 -0.072 0.000 1.177 85 A CA 1.806 53.798 52.037 -0.076 0.000 0.636 85 A CB -0.588 18.379 19.000 -0.055 0.000 0.815 85 A HN 0.616 nan 8.150 nan 0.000 0.449 86 D N -1.191 119.166 120.400 -0.073 0.000 2.368 86 D HA 0.274 4.914 4.640 0.000 0.000 0.218 86 D C -0.524 175.708 176.300 -0.113 0.000 1.112 86 D CA -0.014 53.936 54.000 -0.084 0.000 0.834 86 D CB 0.343 41.081 40.800 -0.103 0.000 0.953 86 D HN 0.149 nan 8.370 nan 0.000 0.505 87 L N 0.961 122.155 121.223 -0.047 0.000 2.331 87 L HA 0.210 4.550 4.340 0.000 0.000 0.275 87 L C 1.117 178.116 176.870 0.216 0.000 1.022 87 L CA -0.606 54.277 54.840 0.071 0.000 0.812 87 L CB 1.752 43.838 42.059 0.045 0.000 1.257 87 L HN -0.144 nan 8.230 nan 0.000 0.435 88 L N 4.231 125.733 121.223 0.464 0.000 2.044 88 L HA 0.212 4.552 4.340 0.000 0.000 0.205 88 L C -1.662 175.356 176.870 0.247 0.000 1.075 88 L CA 1.225 56.208 54.840 0.237 0.000 0.747 88 L CB -1.006 41.066 42.059 0.023 0.000 0.903 88 L HN 0.449 nan 8.230 nan 0.000 0.435 89 P HA 0.140 nan 4.420 nan 0.000 0.281 89 P C -0.777 176.673 177.300 0.252 0.000 1.249 89 P CA -0.255 62.975 63.100 0.216 0.000 0.810 89 P CB 0.896 32.692 31.700 0.161 0.000 1.008 90 V N 2.995 123.017 119.914 0.179 0.000 2.540 90 V HA -0.034 4.086 4.120 0.000 0.000 0.297 90 V C 0.631 176.756 176.094 0.050 0.000 1.024 90 V CA 0.450 62.761 62.300 0.019 0.000 1.105 90 V CB -0.871 30.837 31.823 -0.191 0.000 0.938 90 V HN 0.267 nan 8.190 nan 0.000 0.482 91 L N 5.734 126.978 121.223 0.036 0.000 2.309 91 L HA 0.617 4.957 4.340 0.000 0.000 0.282 91 L C -0.433 176.438 176.870 0.003 0.000 1.036 91 L CA -0.684 54.206 54.840 0.085 0.000 0.806 91 L CB 1.549 43.652 42.059 0.073 0.000 1.220 91 L HN 0.322 nan 8.230 nan 0.000 0.429 92 V N 3.798 123.755 119.914 0.073 0.000 2.325 92 V HA 0.332 4.452 4.120 0.000 0.000 0.280 92 V C -0.089 176.052 176.094 0.077 0.000 1.016 92 V CA -0.654 61.642 62.300 -0.007 0.000 0.818 92 V CB 1.601 33.395 31.823 -0.048 0.000 1.019 92 V HN 0.549 nan 8.190 nan 0.000 0.434 93 V N 2.082 121.982 119.914 -0.023 0.000 2.459 93 V HA 0.988 5.108 4.120 0.000 0.000 0.295 93 V C 0.540 176.596 176.094 -0.062 0.000 1.029 93 V CA -0.283 61.971 62.300 -0.077 0.000 0.874 93 V CB 1.528 33.211 31.823 -0.233 0.000 0.985 93 V HN 0.763 nan 8.190 nan 0.000 0.438 94 G N 3.086 111.861 108.800 -0.043 0.000 2.467 94 G HA2 0.737 4.698 3.960 0.000 0.000 0.257 94 G HA3 0.737 4.698 3.960 0.000 0.000 0.257 94 G C -0.206 174.685 174.900 -0.015 0.000 1.227 94 G CA -0.009 45.085 45.100 -0.010 0.000 0.835 94 G HN 1.956 nan 8.290 nan 0.000 0.556 95 A N 3.128 125.957 122.820 0.016 0.000 2.577 95 A HA 0.790 5.110 4.320 0.000 0.000 0.297 95 A C -3.106 174.510 177.584 0.054 0.000 1.060 95 A CA -1.232 50.816 52.037 0.018 0.000 0.697 95 A CB 2.271 21.271 19.000 -0.001 0.000 1.281 95 A HN 0.509 nan 8.150 nan 0.000 0.402 96 P HA 0.586 nan 4.420 nan 0.000 0.293 96 P C -1.057 176.289 177.300 0.076 0.000 1.313 96 P CA -0.001 63.142 63.100 0.070 0.000 0.787 96 P CB 0.701 32.425 31.700 0.040 0.000 0.910 97 L N 3.976 125.274 121.223 0.125 0.000 2.386 97 L HA 0.515 4.856 4.340 0.000 0.000 0.271 97 L C 0.752 177.721 176.870 0.165 0.000 0.993 97 L CA -1.065 53.844 54.840 0.115 0.000 0.819 97 L CB 2.437 44.558 42.059 0.103 0.000 1.294 97 L HN 0.202 nan 8.230 nan 0.000 0.414 98 R N 1.947 122.514 120.500 0.111 0.000 2.442 98 R HA 0.282 4.622 4.340 0.000 0.000 0.291 98 R C -0.540 175.846 176.300 0.144 0.000 1.069 98 R CA -0.179 55.994 56.100 0.122 0.000 1.022 98 R CB 0.392 30.726 30.300 0.057 0.000 0.976 98 R HN 0.517 nan 8.270 nan 0.000 0.443 99 H N 3.111 122.216 119.070 0.059 0.000 2.966 99 H HA 0.147 4.703 4.556 0.000 0.000 0.347 99 H C 0.327 175.639 175.328 -0.027 0.000 1.048 99 H CA -0.477 55.496 56.048 -0.125 0.000 1.295 99 H CB 0.996 30.449 29.762 -0.515 0.000 1.744 99 H HN 0.747 nan 8.280 nan 0.000 0.513 100 R N 1.758 121.929 120.500 -0.549 0.000 3.896 100 R HA -0.364 3.976 4.340 0.000 0.000 0.391 100 R C 0.386 176.521 176.300 -0.276 0.000 0.244 100 R CA 2.576 58.363 56.100 -0.521 0.000 1.261 100 R CB -1.280 28.599 30.300 -0.703 0.000 0.966 100 R HN 0.884 nan 8.270 nan 0.000 0.576 101 H N 0.176 119.234 119.070 -0.019 0.000 2.497 101 H HA 0.258 4.814 4.556 0.000 0.000 0.282 101 H C 0.927 176.251 175.328 -0.007 0.000 1.003 101 H CA 0.814 56.855 56.048 -0.011 0.000 1.307 101 H CB 0.310 30.067 29.762 -0.010 0.000 1.437 101 H HN 0.190 nan 8.280 nan 0.000 0.544 102 R N 0.450 121.011 120.500 0.101 0.000 3.076 102 R HA 0.452 4.792 4.340 0.000 0.000 0.239 102 R C -0.692 175.624 176.300 0.026 0.000 1.392 102 R CA -1.116 54.981 56.100 -0.005 0.000 1.044 102 R CB 1.706 31.916 30.300 -0.150 0.000 1.389 102 R HN 0.016 nan 8.270 nan 0.000 0.498 103 I N -1.387 119.157 120.570 -0.043 0.000 2.437 103 I HA 0.474 4.644 4.170 0.000 0.000 0.298 103 I C -1.120 174.943 176.117 -0.089 0.000 0.984 103 I CA -0.772 60.552 61.300 0.040 0.000 1.214 103 I CB 0.891 38.914 38.000 0.038 0.000 1.365 103 I HN 0.327 nan 8.210 nan 0.000 0.469 104 Y N 2.549 122.914 120.300 0.108 0.000 2.528 104 Y HA 0.358 4.908 4.550 0.000 0.000 0.335 104 Y C 0.338 176.297 175.900 0.098 0.000 1.093 104 Y CA -0.789 57.390 58.100 0.131 0.000 1.134 104 Y CB 1.064 39.666 38.460 0.237 0.000 1.253 104 Y HN 0.573 nan 8.280 nan 0.000 0.478 105 N N 1.866 120.694 118.700 0.215 0.000 2.439 105 N HA 0.090 4.830 4.740 0.000 0.000 0.243 105 N C -0.918 174.683 175.510 0.152 0.000 1.088 105 N CA -0.047 53.096 53.050 0.155 0.000 0.940 105 N CB 0.290 38.858 38.487 0.134 0.000 1.180 105 N HN 0.794 nan 8.380 nan 0.000 0.505 106 T N 0.170 114.804 114.554 0.133 0.000 2.918 106 T HA 0.792 5.142 4.350 0.000 0.000 0.286 106 T C -0.244 174.479 174.700 0.038 0.000 1.026 106 T CA -0.980 61.174 62.100 0.091 0.000 1.031 106 T CB 1.676 70.618 68.868 0.123 0.000 1.046 106 T HN 0.370 nan 8.240 nan 0.000 0.479 107 A N 2.068 124.887 122.820 -0.003 0.000 2.292 107 A HA 0.680 5.001 4.320 0.000 0.000 0.319 107 A C -0.313 177.236 177.584 -0.058 0.000 1.206 107 A CA -0.782 51.233 52.037 -0.035 0.000 0.835 107 A CB 0.718 19.682 19.000 -0.061 0.000 1.164 107 A HN 0.882 nan 8.150 nan 0.000 0.505 108 V N 3.798 123.671 119.914 -0.068 0.000 2.347 108 V HA 0.290 4.410 4.120 0.000 0.000 0.280 108 V C -0.133 175.874 176.094 -0.144 0.000 1.021 108 V CA -0.510 61.741 62.300 -0.082 0.000 0.847 108 V CB 1.214 33.004 31.823 -0.056 0.000 0.990 108 V HN 0.597 nan 8.190 nan 0.000 0.444 109 V N 7.167 126.944 119.914 -0.229 0.000 2.364 109 V HA 0.489 4.609 4.120 0.000 0.000 0.272 109 V C -0.057 175.879 176.094 -0.263 0.000 1.036 109 V CA -0.143 61.930 62.300 -0.379 0.000 0.880 109 V CB 1.128 32.427 31.823 -0.874 0.000 0.991 109 V HN 0.680 nan 8.190 nan 0.000 0.460 110 I N 5.018 125.474 120.570 -0.188 0.000 2.498 110 I HA 0.533 4.703 4.170 0.000 0.000 0.290 110 I C -0.586 175.516 176.117 -0.024 0.000 1.032 110 I CA -0.475 60.769 61.300 -0.093 0.000 1.073 110 I CB 1.902 39.858 38.000 -0.073 0.000 1.251 110 I HN 0.644 nan 8.210 nan 0.000 0.426 111 H N 6.912 125.902 119.070 -0.132 0.000 2.966 111 H HA 0.344 4.900 4.556 0.000 0.000 0.347 111 H C -0.495 174.812 175.328 -0.034 0.000 1.048 111 H CA -0.617 55.367 56.048 -0.107 0.000 1.295 111 H CB 1.637 31.270 29.762 -0.215 0.000 1.744 111 H HN 0.623 nan 8.280 nan 0.000 0.513 112 R N 2.876 123.110 120.500 -0.442 0.000 3.225 112 R HA -0.196 4.144 4.340 0.000 0.000 0.245 112 R C 0.883 177.090 176.300 -0.155 0.000 0.928 112 R CA 1.162 57.050 56.100 -0.353 0.000 0.632 112 R CB -2.063 27.917 30.300 -0.534 0.000 1.038 112 R HN 1.129 nan 8.270 nan 0.000 0.461 113 G N -2.582 106.159 108.800 -0.099 0.000 2.176 113 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 113 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 113 G C 0.111 174.991 174.900 -0.033 0.000 0.979 113 G CA 0.416 45.482 45.100 -0.057 0.000 0.641 113 G HN 1.077 nan 8.290 nan 0.000 0.530 114 A N -0.957 121.849 122.820 -0.024 0.000 2.469 114 A HA 0.870 5.190 4.320 0.000 0.000 0.299 114 A C -0.222 177.363 177.584 0.001 0.000 1.098 114 A CA -0.122 51.916 52.037 0.001 0.000 0.737 114 A CB 1.961 20.977 19.000 0.027 0.000 1.312 114 A HN 1.192 nan 8.150 nan 0.000 0.414 115 V N 2.155 122.071 119.914 0.004 0.000 2.546 115 V HA 0.155 4.275 4.120 0.000 0.000 0.284 115 V C 0.691 176.805 176.094 0.032 0.000 1.050 115 V CA -0.175 62.123 62.300 -0.003 0.000 0.981 115 V CB 1.169 32.992 31.823 -0.001 0.000 0.990 115 V HN 0.842 nan 8.190 nan 0.000 0.474 116 L N 3.509 124.746 121.223 0.023 0.000 2.298 116 L HA 0.506 4.846 4.340 0.000 0.000 0.209 116 L C 1.006 178.044 176.870 0.280 0.000 1.084 116 L CA 1.418 56.341 54.840 0.138 0.000 0.816 116 L CB -0.535 41.576 42.059 0.087 0.000 0.967 116 L HN 0.898 nan 8.230 nan 0.000 0.460 117 G N -2.145 106.769 108.800 0.191 0.000 2.451 117 G HA2 0.497 4.457 3.960 0.000 0.000 0.292 117 G HA3 0.497 4.457 3.960 0.000 0.000 0.292 117 G C -2.089 172.879 174.900 0.113 0.000 1.427 117 G CA -0.417 44.842 45.100 0.266 0.000 0.792 117 G HN -0.296 nan 8.290 nan 0.000 0.498 118 V N 0.226 120.204 119.914 0.107 0.000 2.524 118 V HA 0.537 4.657 4.120 0.000 0.000 0.297 118 V C -0.503 175.532 176.094 -0.098 0.000 1.035 118 V CA -0.636 61.694 62.300 0.051 0.000 0.867 118 V CB 1.649 33.573 31.823 0.169 0.000 1.004 118 V HN 0.724 nan 8.190 nan 0.000 0.426 119 V N 7.694 127.542 119.914 -0.111 0.000 2.334 119 V HA 0.435 4.556 4.120 0.000 0.000 0.281 119 V C -2.180 173.798 176.094 -0.193 0.000 1.016 119 V CA -1.837 60.344 62.300 -0.199 0.000 0.832 119 V CB 1.930 33.694 31.823 -0.099 0.000 0.999 119 V HN 0.684 nan 8.190 nan 0.000 0.439 120 P HA 0.184 nan 4.420 nan 0.000 0.279 120 P C -0.451 176.822 177.300 -0.045 0.000 1.239 120 P CA -0.594 62.441 63.100 -0.108 0.000 0.789 120 P CB 0.969 32.585 31.700 -0.140 0.000 0.933 121 K N 1.775 122.200 120.400 0.041 0.000 2.489 121 K HA 0.049 4.369 4.320 0.000 0.000 0.278 121 K C 0.982 177.570 176.600 -0.021 0.000 1.000 121 K CA 0.144 56.453 56.287 0.037 0.000 1.012 121 K CB 0.163 32.714 32.500 0.085 0.000 0.903 121 K HN 0.301 nan 8.250 nan 0.000 0.485 122 S N 2.831 118.469 115.700 -0.102 0.000 2.421 122 S HA 0.027 4.497 4.470 0.000 0.000 0.224 122 S C -0.616 173.626 174.600 -0.597 0.000 1.035 122 S CA 0.477 58.443 58.200 -0.389 0.000 0.953 122 S CB 0.030 62.889 63.200 -0.569 0.000 0.810 122 S HN 0.528 nan 8.310 nan 0.000 0.497 123 Y N 0.700 121.054 120.300 0.090 0.000 2.338 123 Y HA 0.548 5.098 4.550 0.000 0.000 0.333 123 Y C -0.980 174.953 175.900 0.056 0.000 0.968 123 Y CA -1.103 57.044 58.100 0.078 0.000 1.123 123 Y CB 0.855 39.367 38.460 0.088 0.000 1.165 123 Y HN -0.079 nan 8.280 nan 0.000 0.452 124 L N 6.972 128.301 121.223 0.176 0.000 2.283 124 L HA 0.452 4.792 4.340 0.000 0.000 0.281 124 L C -2.275 174.623 176.870 0.047 0.000 1.033 124 L CA -2.386 52.507 54.840 0.088 0.000 0.848 124 L CB 0.616 42.714 42.059 0.066 0.000 1.226 124 L HN 0.372 nan 8.230 nan 0.000 0.429 125 P HA 0.069 nan 4.420 nan 0.000 0.262 125 P C -0.448 176.703 177.300 -0.248 0.000 1.199 125 P CA 0.018 62.941 63.100 -0.296 0.000 0.763 125 P CB 0.411 31.548 31.700 -0.938 0.000 0.790 126 T N 4.500 119.005 114.554 -0.080 0.000 3.401 126 T HA 0.458 4.808 4.350 0.000 0.000 0.341 126 T C -0.718 173.991 174.700 0.014 0.000 1.674 126 T CA -0.312 61.743 62.100 -0.074 0.000 1.600 126 T CB -0.634 68.231 68.868 -0.005 0.000 0.974 126 T HN 0.421 nan 8.240 nan 0.000 0.672 127 Y N -1.384 118.869 120.300 -0.077 0.000 2.662 127 Y HA 0.629 5.179 4.550 0.000 0.000 0.334 127 Y C 0.265 176.166 175.900 0.001 0.000 1.185 127 Y CA -1.962 56.105 58.100 -0.055 0.000 1.074 127 Y CB 0.743 39.206 38.460 0.005 0.000 1.330 127 Y HN 0.148 nan 8.280 nan 0.000 0.458 128 R N 0.354 120.965 120.500 0.186 0.000 3.707 128 R HA -0.283 4.057 4.340 0.000 0.000 0.504 128 R C 1.310 177.594 176.300 -0.027 0.000 0.241 128 R CA 2.098 58.264 56.100 0.110 0.000 1.576 128 R CB -1.085 29.347 30.300 0.220 0.000 0.924 128 R HN 0.988 nan 8.270 nan 0.000 0.597 129 E N 2.140 122.237 120.200 -0.172 0.000 2.502 129 E HA -0.008 4.342 4.350 0.000 0.000 0.194 129 E C -0.100 176.332 176.600 -0.279 0.000 1.062 129 E CA 0.738 56.981 56.400 -0.261 0.000 0.867 129 E CB 0.137 29.555 29.700 -0.470 0.000 0.888 129 E HN 0.265 nan 8.360 nan 0.000 0.510 130 F N 0.200 120.100 119.950 -0.084 0.000 2.443 130 F HA 0.324 4.851 4.527 0.000 0.000 0.335 130 F C -0.140 175.516 175.800 -0.240 0.000 1.104 130 F CA -0.984 56.958 58.000 -0.097 0.000 1.013 130 F CB 1.023 39.814 39.000 -0.348 0.000 1.136 130 F HN -0.185 nan 8.300 nan 0.000 0.470 131 Y N 0.215 120.586 120.300 0.119 0.000 2.721 131 Y HA 0.208 4.758 4.550 0.000 0.000 0.251 131 Y C 1.194 177.113 175.900 0.030 0.000 1.136 131 Y CA -0.440 57.689 58.100 0.048 0.000 1.142 131 Y CB 0.061 38.530 38.460 0.015 0.000 1.212 131 Y HN 0.599 nan 8.280 nan 0.000 0.565 132 E N -0.058 120.213 120.200 0.118 0.000 2.204 132 E HA -0.105 4.245 4.350 0.000 0.000 0.194 132 E C 1.776 178.403 176.600 0.046 0.000 0.989 132 E CA 0.507 56.950 56.400 0.072 0.000 0.824 132 E CB 0.165 29.911 29.700 0.076 0.000 0.756 132 E HN 0.189 nan 8.360 nan 0.000 0.477 133 R N 0.767 121.293 120.500 0.044 0.000 2.285 133 R HA -0.045 4.295 4.340 0.000 0.000 0.213 133 R C 2.015 178.333 176.300 0.030 0.000 1.068 133 R CA 0.525 56.643 56.100 0.031 0.000 1.004 133 R CB -0.309 30.013 30.300 0.037 0.000 0.873 133 R HN 0.196 nan 8.270 nan 0.000 0.467 134 R N 0.776 121.310 120.500 0.056 0.000 2.075 134 R HA -0.139 4.201 4.340 0.000 0.000 0.232 134 R C 1.096 177.408 176.300 0.019 0.000 1.126 134 R CA 1.557 57.690 56.100 0.054 0.000 0.963 134 R CB 0.212 30.573 30.300 0.101 0.000 0.858 134 R HN 0.110 nan 8.270 nan 0.000 0.435 135 Q N -0.826 118.979 119.800 0.008 0.000 2.391 135 Q HA 0.254 4.594 4.340 0.000 0.000 0.211 135 Q C 0.021 175.999 176.000 -0.037 0.000 0.908 135 Q CA 0.602 56.396 55.803 -0.016 0.000 0.920 135 Q CB 0.810 29.534 28.738 -0.023 0.000 1.056 135 Q HN 0.190 nan 8.270 nan 0.000 0.523 136 M N -0.428 119.146 119.600 -0.043 0.000 2.518 136 M HA 0.629 5.109 4.480 0.000 0.000 0.300 136 M C -1.384 174.838 176.300 -0.131 0.000 1.175 136 M CA -0.886 54.362 55.300 -0.087 0.000 0.890 136 M CB 2.350 34.928 32.600 -0.037 0.000 1.710 136 M HN -0.013 nan 8.290 nan 0.000 0.453 137 A N 3.345 125.981 122.820 -0.306 0.000 2.310 137 A HA 0.821 5.141 4.320 0.000 0.000 0.299 137 A C -2.553 174.924 177.584 -0.180 0.000 1.147 137 A CA -1.478 50.353 52.037 -0.344 0.000 0.818 137 A CB -0.195 18.374 19.000 -0.719 0.000 1.096 137 A HN 0.467 nan 8.150 nan 0.000 0.495 138 P HA 0.150 nan 4.420 nan 0.000 0.271 138 P C 0.602 178.017 177.300 0.191 0.000 1.218 138 P CA 0.291 63.423 63.100 0.054 0.000 0.780 138 P CB 1.013 32.734 31.700 0.035 0.000 0.901 139 G N 1.072 109.943 108.800 0.119 0.000 3.020 139 G HA2 -0.004 3.956 3.960 0.000 0.000 0.217 139 G HA3 -0.004 3.956 3.960 0.000 0.000 0.217 139 G C 0.136 175.013 174.900 -0.038 0.000 1.144 139 G CA -0.122 45.052 45.100 0.124 0.000 0.760 139 G HN 0.615 nan 8.290 nan 0.000 0.548 140 D N 0.328 120.662 120.400 -0.109 0.000 2.424 140 D HA 0.319 4.959 4.640 0.000 0.000 0.244 140 D C 1.222 177.496 176.300 -0.044 0.000 1.134 140 D CA 0.393 54.310 54.000 -0.139 0.000 0.881 140 D CB 1.099 41.759 40.800 -0.233 0.000 1.191 140 D HN 0.375 nan 8.370 nan 0.000 0.445 141 G N 1.858 110.626 108.800 -0.052 0.000 2.179 141 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 141 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 141 G C -0.005 174.888 174.900 -0.010 0.000 0.977 141 G CA 0.189 45.275 45.100 -0.023 0.000 0.641 141 G HN 0.646 nan 8.290 nan 0.000 0.533 142 E N 0.905 121.093 120.200 -0.020 0.000 2.227 142 E HA 0.605 4.955 4.350 0.000 0.000 0.282 142 E C 0.818 177.394 176.600 -0.039 0.000 1.015 142 E CA -0.207 56.212 56.400 0.031 0.000 0.823 142 E CB 1.408 31.173 29.700 0.108 0.000 1.081 142 E HN 0.424 nan 8.360 nan 0.000 0.396 143 R N 0.497 121.030 120.500 0.055 0.000 3.416 143 R HA 0.621 4.961 4.340 0.000 0.000 0.236 143 R C 0.783 177.159 176.300 0.127 0.000 1.576 143 R CA -0.324 55.792 56.100 0.026 0.000 1.011 143 R CB -0.448 29.843 30.300 -0.014 0.000 1.670 143 R HN 0.689 nan 8.270 nan 0.000 0.519 144 G N 0.277 109.118 108.800 0.068 0.000 2.550 144 G HA2 -0.316 3.645 3.960 0.000 0.000 0.277 144 G HA3 -0.316 3.645 3.960 0.000 0.000 0.277 144 G C -0.326 174.630 174.900 0.093 0.000 1.190 144 G CA 0.585 45.730 45.100 0.075 0.000 0.971 144 G HN 0.997 nan 8.290 nan 0.000 0.559 145 T N -2.415 112.187 114.554 0.079 0.000 2.816 145 T HA 0.721 5.071 4.350 0.000 0.000 0.299 145 T C -0.559 174.101 174.700 -0.066 0.000 1.230 145 T CA 0.079 62.207 62.100 0.046 0.000 1.007 145 T CB 2.306 71.194 68.868 0.032 0.000 1.289 145 T HN 1.800 nan 8.240 nan 0.000 0.508 146 I N -0.115 120.395 120.570 -0.099 0.000 2.769 146 I HA 0.620 4.790 4.170 0.000 0.000 0.298 146 I C -0.862 175.220 176.117 -0.059 0.000 1.128 146 I CA -1.344 59.841 61.300 -0.191 0.000 1.031 146 I CB 2.231 39.941 38.000 -0.482 0.000 1.235 146 I HN 0.809 nan 8.210 nan 0.000 0.423 147 R N 6.389 126.867 120.500 -0.037 0.000 2.207 147 R HA 0.575 4.915 4.340 0.000 0.000 0.334 147 R C -1.654 174.635 176.300 -0.018 0.000 1.013 147 R CA -0.403 55.686 56.100 -0.018 0.000 0.858 147 R CB 0.717 31.009 30.300 -0.012 0.000 1.094 147 R HN 0.518 nan 8.270 nan 0.000 0.457 148 I N 3.557 124.121 120.570 -0.011 0.000 2.411 148 I HA 0.270 4.441 4.170 0.000 0.000 0.284 148 I C 0.312 176.425 176.117 -0.007 0.000 1.012 148 I CA -0.017 61.278 61.300 -0.009 0.000 1.119 148 I CB 2.096 40.093 38.000 -0.005 0.000 1.261 148 I HN 0.846 nan 8.210 nan 0.000 0.448 149 G N 4.921 113.716 108.800 -0.008 0.000 2.334 149 G HA2 0.033 3.993 3.960 0.000 0.000 0.279 149 G HA3 0.033 3.993 3.960 0.000 0.000 0.279 149 G C 0.961 175.857 174.900 -0.006 0.000 0.918 149 G CA 0.607 45.702 45.100 -0.008 0.000 1.314 149 G HN 1.675 nan 8.290 nan 0.000 0.463 150 G N -1.684 107.113 108.800 -0.005 0.000 2.249 150 G HA2 0.303 4.263 3.960 0.000 0.000 0.273 150 G HA3 0.303 4.263 3.960 0.000 0.000 0.273 150 G C 0.469 175.368 174.900 -0.000 0.000 1.036 150 G CA 1.133 46.231 45.100 -0.003 0.000 0.824 150 G HN 2.571 nan 8.290 nan 0.000 0.504 151 A N -0.295 122.526 122.820 0.001 0.000 2.488 151 A HA 0.628 4.948 4.320 0.000 0.000 0.295 151 A C -0.746 176.843 177.584 0.007 0.000 1.045 151 A CA -0.563 51.478 52.037 0.006 0.000 0.703 151 A CB 1.292 20.298 19.000 0.010 0.000 1.271 151 A HN 0.149 nan 8.150 nan 0.000 0.400 152 D N 2.442 122.849 120.400 0.010 0.000 2.313 152 D HA 0.420 5.060 4.640 0.000 0.000 0.239 152 D C 0.122 176.437 176.300 0.024 0.000 1.142 152 D CA 0.240 54.247 54.000 0.012 0.000 0.847 152 D CB 1.824 42.631 40.800 0.011 0.000 1.082 152 D HN 0.601 nan 8.370 nan 0.000 0.480 153 V N -0.864 119.068 119.914 0.030 0.000 2.815 153 V HA 0.799 4.919 4.120 0.000 0.000 0.314 153 V C 0.276 176.411 176.094 0.069 0.000 1.064 153 V CA -1.191 61.141 62.300 0.053 0.000 0.952 153 V CB 1.537 33.396 31.823 0.060 0.000 1.020 153 V HN 0.548 nan 8.190 nan 0.000 0.439 154 A N 3.157 126.023 122.820 0.077 0.000 2.586 154 A HA 0.481 4.801 4.320 0.000 0.000 0.231 154 A C -0.660 176.992 177.584 0.114 0.000 1.055 154 A CA 0.525 52.604 52.037 0.071 0.000 0.756 154 A CB -0.400 18.619 19.000 0.032 0.000 0.988 154 A HN 1.682 nan 8.150 nan 0.000 0.509 155 F N 1.454 121.342 119.950 -0.102 0.000 2.617 155 F HA 0.607 5.134 4.527 0.000 0.000 0.325 155 F C 0.206 175.908 175.800 -0.164 0.000 1.179 155 F CA 0.826 58.721 58.000 -0.174 0.000 0.965 155 F CB 1.397 40.193 39.000 -0.340 0.000 1.232 155 F HN 1.301 nan 8.300 nan 0.000 0.461 156 G N 2.594 110.928 108.800 -0.778 0.000 2.359 156 G HA2 0.247 4.207 3.960 0.000 0.000 0.293 156 G HA3 0.247 4.207 3.960 0.000 0.000 0.293 156 G C -0.097 174.580 174.900 -0.373 0.000 1.300 156 G CA -0.150 44.572 45.100 -0.630 0.000 0.888 156 G HN 0.975 nan 8.290 nan 0.000 0.541 157 T N -2.341 112.046 114.554 -0.278 0.000 3.107 157 T HA 0.180 4.530 4.350 0.000 0.000 0.249 157 T C 0.848 175.483 174.700 -0.107 0.000 1.096 157 T CA 1.362 63.380 62.100 -0.136 0.000 1.012 157 T CB 0.039 68.836 68.868 -0.118 0.000 0.977 157 T HN 0.683 nan 8.240 nan 0.000 0.527 158 D N 1.701 121.925 120.400 -0.293 0.000 2.706 158 D HA 0.185 4.825 4.640 0.000 0.000 0.236 158 D C 0.039 176.201 176.300 -0.231 0.000 1.231 158 D CA -0.418 53.198 54.000 -0.639 0.000 0.828 158 D CB -0.358 40.069 40.800 -0.621 0.000 1.015 158 D HN 0.412 nan 8.370 nan 0.000 0.484 159 L N -0.094 121.164 121.223 0.059 0.000 2.334 159 L HA 0.518 4.858 4.340 0.000 0.000 0.276 159 L C -0.785 176.061 176.870 -0.039 0.000 1.014 159 L CA -1.204 53.593 54.840 -0.072 0.000 0.815 159 L CB 1.914 43.848 42.059 -0.208 0.000 1.268 159 L HN -0.101 nan 8.230 nan 0.000 0.428 160 L N 2.617 123.614 121.223 -0.377 0.000 2.408 160 L HA 0.528 4.868 4.340 0.000 0.000 0.268 160 L C -1.103 175.422 176.870 -0.575 0.000 0.986 160 L CA -0.147 54.524 54.840 -0.281 0.000 0.820 160 L CB 1.841 43.856 42.059 -0.074 0.000 1.303 160 L HN 0.236 nan 8.230 nan 0.000 0.411 161 F N 2.771 122.755 119.950 0.056 0.000 2.366 161 F HA 0.706 5.233 4.527 0.000 0.000 0.366 161 F C 0.439 176.313 175.800 0.124 0.000 1.096 161 F CA -0.695 57.374 58.000 0.115 0.000 1.060 161 F CB 1.435 40.432 39.000 -0.004 0.000 1.282 161 F HN 0.484 nan 8.300 nan 0.000 0.450 162 A N 2.227 125.117 122.820 0.116 0.000 2.276 162 A HA 0.805 5.125 4.320 0.000 0.000 0.316 162 A C -0.097 177.138 177.584 -0.581 0.000 1.229 162 A CA -0.680 51.261 52.037 -0.160 0.000 0.851 162 A CB 0.485 19.411 19.000 -0.124 0.000 1.165 162 A HN 0.796 nan 8.150 nan 0.000 0.513 163 A N 2.396 124.746 122.820 -0.783 0.000 2.396 163 A HA 0.454 4.774 4.320 0.000 0.000 0.279 163 A C 1.362 178.668 177.584 -0.463 0.000 1.165 163 A CA 0.220 51.658 52.037 -0.998 0.000 0.824 163 A CB -0.207 18.481 19.000 -0.520 0.000 1.100 163 A HN 1.688 nan 8.150 nan 0.000 0.516 164 S N 1.586 117.038 115.700 -0.413 0.000 2.447 164 S HA -0.135 4.335 4.470 0.000 0.000 0.233 164 S C 0.748 175.265 174.600 -0.138 0.000 1.006 164 S CA 1.189 59.266 58.200 -0.205 0.000 0.957 164 S CB -0.209 62.904 63.200 -0.146 0.000 0.773 164 S HN 0.800 nan 8.310 nan 0.000 0.507 165 D N 0.301 120.616 120.400 -0.142 0.000 2.402 165 D HA 0.236 4.876 4.640 0.000 0.000 0.216 165 D C 0.198 176.471 176.300 -0.046 0.000 1.128 165 D CA -0.307 53.647 54.000 -0.076 0.000 0.833 165 D CB -0.091 40.674 40.800 -0.058 0.000 0.971 165 D HN 0.461 nan 8.370 nan 0.000 0.503 166 L N 0.577 121.774 121.223 -0.044 0.000 2.420 166 L HA 0.268 4.608 4.340 0.000 0.000 0.260 166 L C -2.401 174.491 176.870 0.036 0.000 1.508 166 L CA -1.373 53.487 54.840 0.033 0.000 0.835 166 L CB 2.046 44.181 42.059 0.127 0.000 1.018 166 L HN -0.299 nan 8.230 nan 0.000 0.520 167 P HA 0.023 nan 4.420 nan 0.000 0.234 167 P C 1.341 178.656 177.300 0.025 0.000 1.167 167 P CA 0.636 63.729 63.100 -0.012 0.000 0.763 167 P CB 0.280 31.966 31.700 -0.024 0.000 0.835 168 G N -1.376 107.460 108.800 0.060 0.000 2.712 168 G HA2 -0.101 3.859 3.960 0.000 0.000 0.212 168 G HA3 -0.101 3.859 3.960 0.000 0.000 0.212 168 G C -0.084 174.925 174.900 0.181 0.000 1.142 168 G CA -0.034 45.112 45.100 0.077 0.000 0.789 168 G HN 0.195 nan 8.290 nan 0.000 0.535 169 F N 2.395 122.355 119.950 0.016 0.000 2.334 169 F HA 0.600 5.127 4.527 0.000 0.000 0.365 169 F C -0.738 175.107 175.800 0.075 0.000 1.124 169 F CA -2.170 55.866 58.000 0.059 0.000 1.166 169 F CB 0.942 39.996 39.000 0.091 0.000 1.355 169 F HN -0.218 nan 8.300 nan 0.000 0.532 170 V N 7.691 127.649 119.914 0.073 0.000 2.407 170 V HA 0.316 4.436 4.120 0.000 0.000 0.291 170 V C -0.689 175.405 176.094 -0.000 0.000 1.018 170 V CA -0.871 61.385 62.300 -0.073 0.000 0.842 170 V CB 1.580 33.397 31.823 -0.010 0.000 0.996 170 V HN 0.553 nan 8.190 nan 0.000 0.426 171 L N 5.389 126.571 121.223 -0.068 0.000 2.275 171 L HA 0.556 4.896 4.340 0.000 0.000 0.288 171 L C -0.305 176.742 176.870 0.296 0.000 1.046 171 L CA 0.349 55.258 54.840 0.114 0.000 0.805 171 L CB 0.833 42.902 42.059 0.017 0.000 1.193 171 L HN 0.753 nan 8.230 nan 0.000 0.426 172 H N 4.401 123.564 119.070 0.155 0.000 2.524 172 H HA 0.621 5.177 4.556 0.000 0.000 0.353 172 H C -1.583 173.823 175.328 0.131 0.000 1.136 172 H CA -0.875 55.279 56.048 0.177 0.000 1.193 172 H CB 2.046 31.879 29.762 0.118 0.000 1.558 172 H HN 0.486 nan 8.280 nan 0.000 0.515 173 V N 5.219 124.907 119.914 -0.377 0.000 2.495 173 V HA 0.232 4.352 4.120 0.000 0.000 0.298 173 V C -0.156 175.676 176.094 -0.437 0.000 1.031 173 V CA -0.577 61.544 62.300 -0.299 0.000 0.871 173 V CB 1.533 33.255 31.823 -0.169 0.000 0.988 173 V HN 0.853 nan 8.190 nan 0.000 0.432 174 E N 5.036 125.117 120.200 -0.198 0.000 2.445 174 E HA 0.776 5.126 4.350 0.000 0.000 0.273 174 E C -1.597 175.022 176.600 0.032 0.000 0.961 174 E CA -1.058 55.314 56.400 -0.046 0.000 0.807 174 E CB 2.854 32.621 29.700 0.112 0.000 1.362 174 E HN 0.473 nan 8.360 nan 0.000 0.453 175 I N 1.463 122.087 120.570 0.090 0.000 2.466 175 I HA 0.194 4.364 4.170 0.000 0.000 0.289 175 I C 0.603 176.820 176.117 0.166 0.000 1.026 175 I CA -0.888 60.470 61.300 0.097 0.000 1.078 175 I CB 1.436 39.481 38.000 0.074 0.000 1.249 175 I HN 0.956 nan 8.210 nan 0.000 0.429 176 C N 4.203 123.612 119.300 0.181 0.000 5.139 176 C HA -0.366 4.094 4.460 0.000 0.000 0.295 176 C C 2.728 177.953 174.990 0.392 0.000 2.224 176 C CA 2.247 61.417 59.018 0.253 0.000 2.098 176 C CB -1.040 26.759 27.740 0.099 0.000 2.969 176 C HN 1.063 nan 8.230 nan 0.000 0.323 177 E N 0.809 121.141 120.200 0.220 0.000 2.284 177 E HA -0.200 4.150 4.350 0.000 0.000 0.200 177 E C 1.279 178.122 176.600 0.406 0.000 1.008 177 E CA 2.113 58.651 56.400 0.231 0.000 0.829 177 E CB -0.436 29.292 29.700 0.047 0.000 0.744 177 E HN 0.722 nan 8.360 nan 0.000 0.491 178 D N -0.522 120.102 120.400 0.374 0.000 2.263 178 D HA -0.157 4.483 4.640 0.000 0.000 0.208 178 D C 1.772 178.276 176.300 0.340 0.000 0.971 178 D CA 1.438 55.673 54.000 0.390 0.000 0.867 178 D CB -0.231 40.747 40.800 0.297 0.000 0.929 178 D HN 0.578 nan 8.370 nan 0.000 0.492 179 M N -2.549 117.248 119.600 0.329 0.000 2.428 179 M HA 0.199 4.679 4.480 0.000 0.000 0.239 179 M C 0.575 176.830 176.300 -0.075 0.000 1.121 179 M CA 0.506 55.882 55.300 0.127 0.000 1.019 179 M CB 0.115 32.758 32.600 0.073 0.000 1.485 179 M HN -0.261 nan 8.290 nan 0.000 0.484 180 F N 1.325 121.302 119.950 0.045 0.000 2.776 180 F HA 0.232 4.759 4.527 0.000 0.000 0.300 180 F C 0.969 176.744 175.800 -0.041 0.000 1.116 180 F CA -0.395 57.603 58.000 -0.003 0.000 1.375 180 F CB 0.171 39.181 39.000 0.016 0.000 1.109 180 F HN 0.075 nan 8.300 nan 0.000 0.585 181 V N -2.571 117.397 119.914 0.090 0.000 2.743 181 V HA 0.324 4.444 4.120 0.000 0.000 0.301 181 V C -1.477 174.581 176.094 -0.059 0.000 1.057 181 V CA -1.840 60.429 62.300 -0.052 0.000 1.006 181 V CB 0.819 32.483 31.823 -0.265 0.000 1.024 181 V HN -0.158 nan 8.190 nan 0.000 0.473 182 P HA -0.130 nan 4.420 nan 0.000 0.218 182 P C 0.531 177.804 177.300 -0.045 0.000 1.154 182 P CA 1.755 64.822 63.100 -0.056 0.000 0.872 182 P CB -0.012 31.656 31.700 -0.054 0.000 0.790 183 M N -1.133 118.441 119.600 -0.043 0.000 2.325 183 M HA 0.307 4.787 4.480 0.000 0.000 0.305 183 M C -2.515 173.814 176.300 0.049 0.000 1.047 183 M CA -2.022 53.272 55.300 -0.011 0.000 0.981 183 M CB 1.554 34.147 32.600 -0.011 0.000 1.307 183 M HN -0.244 nan 8.290 nan 0.000 0.418 184 P HA 0.157 nan 4.420 nan 0.000 0.271 184 P C -2.093 175.317 177.300 0.183 0.000 1.216 184 P CA -0.973 62.216 63.100 0.148 0.000 0.776 184 P CB 0.178 31.951 31.700 0.122 0.000 0.881 185 P HA -0.205 nan 4.420 nan 0.000 0.218 185 P C 1.404 178.857 177.300 0.255 0.000 1.148 185 P CA 1.646 64.917 63.100 0.286 0.000 0.822 185 P CB -0.270 31.645 31.700 0.358 0.000 0.784 186 S N -0.811 115.078 115.700 0.315 0.000 2.423 186 S HA -0.057 4.413 4.470 0.000 0.000 0.231 186 S C 2.055 176.692 174.600 0.062 0.000 1.014 186 S CA 0.942 59.293 58.200 0.253 0.000 0.965 186 S CB -1.282 62.174 63.200 0.425 0.000 0.785 186 S HN 0.118 nan 8.310 nan 0.000 0.495 187 A N 2.391 125.246 122.820 0.057 0.000 1.865 187 A HA -0.137 4.183 4.320 0.000 0.000 0.217 187 A C 2.166 179.685 177.584 -0.107 0.000 1.191 187 A CA 1.653 53.679 52.037 -0.019 0.000 0.623 187 A CB -0.888 18.094 19.000 -0.029 0.000 0.826 187 A HN 0.665 nan 8.150 nan 0.000 0.444 188 E N -0.205 119.939 120.200 -0.093 0.000 2.118 188 E HA -0.112 4.238 4.350 0.000 0.000 0.195 188 E C 2.214 178.598 176.600 -0.361 0.000 0.992 188 E CA 1.005 57.334 56.400 -0.118 0.000 0.804 188 E CB -0.319 29.431 29.700 0.083 0.000 0.741 188 E HN 0.621 nan 8.360 nan 0.000 0.458 189 A N 1.350 123.878 122.820 -0.486 0.000 2.015 189 A HA -0.037 4.283 4.320 0.000 0.000 0.219 189 A C 2.339 179.626 177.584 -0.495 0.000 1.163 189 A CA 1.437 52.929 52.037 -0.909 0.000 0.646 189 A CB -0.462 17.791 19.000 -1.246 0.000 0.806 189 A HN 0.287 nan 8.150 nan 0.000 0.448 190 A N -0.012 122.665 122.820 -0.238 0.000 1.873 190 A HA -0.000 4.320 4.320 0.000 0.000 0.215 190 A C 2.108 179.664 177.584 -0.048 0.000 1.186 190 A CA 1.355 53.371 52.037 -0.035 0.000 0.616 190 A CB -0.627 18.440 19.000 0.112 0.000 0.823 190 A HN 0.450 nan 8.150 nan 0.000 0.442 191 L N -0.649 120.443 121.223 -0.220 0.000 2.079 191 L HA -0.220 4.120 4.340 0.000 0.000 0.210 191 L C 2.856 179.631 176.870 -0.159 0.000 1.081 191 L CA 1.098 55.786 54.840 -0.252 0.000 0.752 191 L CB -0.445 41.451 42.059 -0.272 0.000 0.896 191 L HN 0.446 nan 8.230 nan 0.000 0.433 192 A N -1.022 121.616 122.820 -0.304 0.000 2.206 192 A HA 0.239 4.559 4.320 0.000 0.000 0.211 192 A C 1.802 179.260 177.584 -0.210 0.000 1.158 192 A CA 1.124 52.965 52.037 -0.327 0.000 0.761 192 A CB -0.247 18.286 19.000 -0.778 0.000 0.801 192 A HN 0.561 nan 8.150 nan 0.000 0.473 193 G N -2.296 106.426 108.800 -0.130 0.000 2.480 193 G HA2 0.209 4.169 3.960 0.000 0.000 0.193 193 G HA3 0.209 4.169 3.960 0.000 0.000 0.193 193 G C 0.482 175.365 174.900 -0.029 0.000 1.004 193 G CA -0.064 45.005 45.100 -0.051 0.000 0.696 193 G HN 1.436 nan 8.290 nan 0.000 0.478 194 A N 1.115 123.891 122.820 -0.073 0.000 2.546 194 A HA 0.533 4.853 4.320 0.000 0.000 0.243 194 A C 1.529 179.167 177.584 0.089 0.000 1.063 194 A CA 1.977 54.023 52.037 0.015 0.000 0.757 194 A CB 0.180 19.185 19.000 0.009 0.000 0.991 194 A HN 1.459 nan 8.150 nan 0.000 0.503 195 T N -0.705 113.927 114.554 0.131 0.000 2.969 195 T HA 0.323 4.673 4.350 0.000 0.000 0.250 195 T C 0.128 174.945 174.700 0.196 0.000 1.021 195 T CA 0.463 62.655 62.100 0.152 0.000 1.003 195 T CB 0.001 68.958 68.868 0.149 0.000 1.040 195 T HN 0.427 nan 8.240 nan 0.000 0.492 196 V N 2.728 122.788 119.914 0.244 0.000 2.443 196 V HA 0.521 4.641 4.120 0.000 0.000 0.293 196 V C -0.860 175.349 176.094 0.191 0.000 1.021 196 V CA -0.971 61.483 62.300 0.257 0.000 0.848 196 V CB 1.585 33.678 31.823 0.450 0.000 0.998 196 V HN 0.391 nan 8.190 nan 0.000 0.424 197 L N 4.532 125.809 121.223 0.090 0.000 2.287 197 L HA 0.862 5.202 4.340 0.000 0.000 0.287 197 L C 0.368 177.040 176.870 -0.329 0.000 1.022 197 L CA -0.485 54.329 54.840 -0.045 0.000 0.814 197 L CB 1.664 43.721 42.059 -0.003 0.000 1.217 197 L HN 0.680 nan 8.230 nan 0.000 0.420 198 A N 3.214 125.900 122.820 -0.224 0.000 2.312 198 A HA 0.610 4.930 4.320 0.000 0.000 0.326 198 A C -0.641 176.795 177.584 -0.247 0.000 1.172 198 A CA -0.545 51.357 52.037 -0.224 0.000 0.821 198 A CB 0.955 19.898 19.000 -0.096 0.000 1.166 198 A HN 0.712 nan 8.150 nan 0.000 0.493 199 N N 2.623 121.215 118.700 -0.180 0.000 2.461 199 N HA 0.371 5.111 4.740 0.000 0.000 0.284 199 N C -1.455 173.999 175.510 -0.094 0.000 1.049 199 N CA -0.336 52.702 53.050 -0.020 0.000 0.889 199 N CB 1.046 39.712 38.487 0.298 0.000 1.365 199 N HN 0.591 nan 8.380 nan 0.000 0.499 200 L N 1.825 123.006 121.223 -0.070 0.000 2.276 200 L HA 0.500 4.840 4.340 0.000 0.000 0.286 200 L C 0.322 177.135 176.870 -0.096 0.000 1.061 200 L CA -0.536 54.246 54.840 -0.096 0.000 0.807 200 L CB 1.211 43.251 42.059 -0.030 0.000 1.177 200 L HN 0.324 nan 8.230 nan 0.000 0.429 201 S N 0.979 116.562 115.700 -0.194 0.000 2.566 201 S HA 0.673 5.143 4.470 0.000 0.000 0.298 201 S C 0.635 175.174 174.600 -0.101 0.000 1.083 201 S CA -0.175 57.943 58.200 -0.136 0.000 0.978 201 S CB 2.147 65.233 63.200 -0.191 0.000 1.073 201 S HN 0.824 nan 8.310 nan 0.000 0.491 202 G N 0.477 109.168 108.800 -0.183 0.000 2.724 202 G HA2 0.252 4.212 3.960 0.000 0.000 0.217 202 G HA3 0.252 4.212 3.960 0.000 0.000 0.217 202 G C 0.214 175.156 174.900 0.070 0.000 1.251 202 G CA 0.538 45.476 45.100 -0.269 0.000 0.867 202 G HN 1.291 nan 8.290 nan 0.000 0.590 203 S N 1.418 117.108 115.700 -0.016 0.000 3.578 203 S HA -0.093 4.378 4.470 0.000 0.000 0.449 203 S C -2.107 172.528 174.600 0.058 0.000 0.853 203 S CA 0.350 58.621 58.200 0.118 0.000 1.348 203 S CB -1.009 62.309 63.200 0.197 0.000 0.907 203 S HN 0.378 nan 8.310 nan 0.000 0.627 204 P HA 0.229 nan 4.420 nan 0.000 0.267 204 P C 0.211 177.301 177.300 -0.350 0.000 1.200 204 P CA -0.388 62.216 63.100 -0.828 0.000 0.772 204 P CB 0.475 31.535 31.700 -1.066 0.000 0.855 205 I N 1.836 122.217 120.570 -0.313 0.000 2.440 205 I HA 0.391 4.561 4.170 0.000 0.000 0.294 205 I C -0.038 176.042 176.117 -0.060 0.000 0.995 205 I CA 0.462 61.702 61.300 -0.101 0.000 1.306 205 I CB 1.202 39.174 38.000 -0.047 0.000 1.407 205 I HN 0.267 nan 8.210 nan 0.000 0.501 206 T N 6.856 121.413 114.554 0.004 0.000 2.894 206 T HA 0.487 4.837 4.350 0.000 0.000 0.309 206 T C -0.372 174.359 174.700 0.053 0.000 1.208 206 T CA -0.548 61.560 62.100 0.015 0.000 1.016 206 T CB 1.199 70.067 68.868 0.000 0.000 1.192 206 T HN 0.395 nan 8.240 nan 0.000 0.491 207 I N 2.712 123.313 120.570 0.050 0.000 2.919 207 I HA 0.086 4.256 4.170 0.000 0.000 0.299 207 I C 1.590 177.739 176.117 0.054 0.000 1.221 207 I CA 1.743 63.076 61.300 0.055 0.000 1.424 207 I CB -0.009 38.014 38.000 0.039 0.000 1.358 207 I HN 1.097 nan 8.210 nan 0.000 0.551 208 G N 5.088 113.925 108.800 0.062 0.000 2.253 208 G HA2 -0.367 3.593 3.960 0.000 0.000 0.251 208 G HA3 -0.367 3.593 3.960 0.000 0.000 0.251 208 G C 1.285 176.225 174.900 0.066 0.000 0.998 208 G CA 0.556 45.691 45.100 0.058 0.000 0.621 208 G HN 0.683 nan 8.290 nan 0.000 0.524 209 R N 1.014 121.559 120.500 0.075 0.000 2.096 209 R HA 0.256 4.596 4.340 0.000 0.000 0.235 209 R C 2.964 179.319 176.300 0.092 0.000 1.127 209 R CA 2.181 58.337 56.100 0.094 0.000 0.968 209 R CB -0.503 29.851 30.300 0.089 0.000 0.861 209 R HN 0.761 nan 8.270 nan 0.000 0.440 210 A N 0.948 123.811 122.820 0.071 0.000 1.940 210 A HA -0.228 4.092 4.320 0.000 0.000 0.219 210 A C 2.031 179.637 177.584 0.037 0.000 1.176 210 A CA 1.700 53.769 52.037 0.053 0.000 0.631 210 A CB -0.603 18.428 19.000 0.052 0.000 0.814 210 A HN 0.627 nan 8.150 nan 0.000 0.446 211 E N -0.240 119.986 120.200 0.043 0.000 2.106 211 E HA -0.222 4.128 4.350 0.000 0.000 0.192 211 E C 1.055 177.654 176.600 -0.001 0.000 0.984 211 E CA 1.298 57.712 56.400 0.024 0.000 0.806 211 E CB -0.126 29.592 29.700 0.030 0.000 0.750 211 E HN 0.578 nan 8.360 nan 0.000 0.458 212 D N 0.295 120.717 120.400 0.036 0.000 2.117 212 D HA -0.113 4.527 4.640 0.000 0.000 0.198 212 D C 2.091 178.379 176.300 -0.020 0.000 0.982 212 D CA 0.787 54.819 54.000 0.053 0.000 0.828 212 D CB -0.161 40.751 40.800 0.186 0.000 0.967 212 D HN 0.181 nan 8.370 nan 0.000 0.464 213 R N 0.680 121.185 120.500 0.007 0.000 2.083 213 R HA -0.040 4.300 4.340 0.000 0.000 0.237 213 R C 2.494 178.598 176.300 -0.326 0.000 1.137 213 R CA 1.048 57.055 56.100 -0.155 0.000 0.951 213 R CB -0.132 30.048 30.300 -0.201 0.000 0.851 213 R HN 0.133 nan 8.270 nan 0.000 0.434 214 R N 0.429 120.807 120.500 -0.204 0.000 2.080 214 R HA -0.166 4.174 4.340 0.000 0.000 0.236 214 R C 2.340 178.383 176.300 -0.429 0.000 1.137 214 R CA 1.469 57.438 56.100 -0.217 0.000 0.943 214 R CB -0.703 29.609 30.300 0.020 0.000 0.846 214 R HN 0.112 nan 8.270 nan 0.000 0.431 215 L N 1.225 122.269 121.223 -0.298 0.000 1.997 215 L HA -0.201 4.139 4.340 0.000 0.000 0.216 215 L C 1.921 178.534 176.870 -0.428 0.000 1.074 215 L CA 1.835 56.490 54.840 -0.308 0.000 0.763 215 L CB -0.436 41.508 42.059 -0.193 0.000 0.890 215 L HN 0.171 nan 8.230 nan 0.000 0.434 216 L N -1.242 119.694 121.223 -0.478 0.000 2.240 216 L HA 0.007 4.347 4.340 0.000 0.000 0.211 216 L C 2.526 178.965 176.870 -0.719 0.000 1.106 216 L CA 0.717 55.211 54.840 -0.576 0.000 0.793 216 L CB -0.739 40.875 42.059 -0.742 0.000 0.927 216 L HN 0.347 nan 8.230 nan 0.000 0.446 217 A N 0.231 122.566 122.820 -0.807 0.000 1.898 217 A HA -0.171 4.149 4.320 0.000 0.000 0.214 217 A C 2.427 179.372 177.584 -1.064 0.000 1.183 217 A CA 1.210 52.637 52.037 -1.015 0.000 0.622 217 A CB -0.417 18.173 19.000 -0.684 0.000 0.824 217 A HN 0.292 nan 8.150 nan 0.000 0.444 218 R N 0.523 120.222 120.500 -1.335 0.000 2.082 218 R HA -0.162 4.178 4.340 0.000 0.000 0.234 218 R C 2.536 178.482 176.300 -0.590 0.000 1.136 218 R CA 2.397 57.711 56.100 -1.310 0.000 0.935 218 R CB -0.397 29.030 30.300 -1.456 0.000 0.842 218 R HN 0.614 nan 8.270 nan 0.000 0.430 219 S N 0.197 115.609 115.700 -0.479 0.000 2.382 219 S HA -0.079 4.391 4.470 0.000 0.000 0.228 219 S C 2.224 176.686 174.600 -0.229 0.000 1.027 219 S CA 0.943 58.974 58.200 -0.283 0.000 0.991 219 S CB -0.385 62.672 63.200 -0.239 0.000 0.823 219 S HN 0.493 nan 8.310 nan 0.000 0.469 220 A N 2.440 125.067 122.820 -0.322 0.000 1.917 220 A HA -0.132 4.188 4.320 0.000 0.000 0.219 220 A C 2.596 180.141 177.584 -0.066 0.000 1.182 220 A CA 2.574 54.474 52.037 -0.228 0.000 0.633 220 A CB -1.439 17.296 19.000 -0.440 0.000 0.819 220 A HN 0.948 nan 8.150 nan 0.000 0.448 221 S N -0.541 115.107 115.700 -0.086 0.000 2.406 221 S HA 0.233 4.703 4.470 0.000 0.000 0.228 221 S C 1.989 176.646 174.600 0.094 0.000 1.020 221 S CA 1.155 59.416 58.200 0.101 0.000 0.965 221 S CB -0.408 62.907 63.200 0.192 0.000 0.798 221 S HN 0.847 nan 8.310 nan 0.000 0.488 222 A N 2.211 125.047 122.820 0.027 0.000 1.850 222 A HA 0.227 4.547 4.320 0.000 0.000 0.212 222 A C 2.328 179.953 177.584 0.070 0.000 1.208 222 A CA 0.879 52.943 52.037 0.044 0.000 0.609 222 A CB -0.703 18.297 19.000 0.001 0.000 0.860 222 A HN 0.459 nan 8.150 nan 0.000 0.448 223 R N -0.989 119.535 120.500 0.040 0.000 2.159 223 R HA -0.152 4.188 4.340 0.000 0.000 0.237 223 R C 1.157 177.557 176.300 0.167 0.000 1.131 223 R CA 1.623 57.766 56.100 0.072 0.000 0.982 223 R CB -0.382 29.925 30.300 0.011 0.000 0.868 223 R HN 0.582 nan 8.270 nan 0.000 0.453 224 C N -0.022 119.391 119.300 0.188 0.000 2.855 224 C HA 0.272 4.732 4.460 0.000 0.000 0.279 224 C C -0.089 175.128 174.990 0.377 0.000 1.270 224 C CA -0.700 58.514 59.018 0.328 0.000 1.702 224 C CB -0.638 27.236 27.740 0.223 0.000 1.949 224 C HN 0.519 nan 8.230 nan 0.000 0.618 225 L N 0.612 121.961 121.223 0.210 0.000 3.677 225 L HA -0.199 4.141 4.340 0.000 0.000 0.464 225 L C 0.300 177.210 176.870 0.067 0.000 1.278 225 L CA 1.202 56.073 54.840 0.052 0.000 0.806 225 L CB -2.000 39.918 42.059 -0.235 0.000 1.610 225 L HN 0.559 nan 8.230 nan 0.000 0.867 226 A N -0.887 122.015 122.820 0.137 0.000 2.587 226 A HA 0.954 5.274 4.320 0.000 0.000 0.293 226 A C 0.020 177.722 177.584 0.196 0.000 1.087 226 A CA -0.216 51.920 52.037 0.164 0.000 0.692 226 A CB 1.148 20.274 19.000 0.210 0.000 1.291 226 A HN 1.125 nan 8.150 nan 0.000 0.407 227 A N 0.154 123.087 122.820 0.188 0.000 2.440 227 A HA 0.531 4.851 4.320 0.000 0.000 0.251 227 A C -0.892 176.857 177.584 0.275 0.000 1.089 227 A CA 0.259 52.426 52.037 0.216 0.000 0.779 227 A CB -0.184 18.906 19.000 0.151 0.000 1.022 227 A HN 1.228 nan 8.150 nan 0.000 0.492 228 Y N 2.199 122.633 120.300 0.224 0.000 2.326 228 Y HA 0.481 5.031 4.550 0.000 0.000 0.331 228 Y C -0.657 175.408 175.900 0.274 0.000 0.962 228 Y CA -0.403 57.839 58.100 0.236 0.000 1.167 228 Y CB 1.812 40.396 38.460 0.207 0.000 1.148 228 Y HN 0.434 nan 8.280 nan 0.000 0.463 229 V N 7.287 127.225 119.914 0.040 0.000 2.357 229 V HA 0.264 4.384 4.120 0.000 0.000 0.284 229 V C -1.253 174.939 176.094 0.163 0.000 1.018 229 V CA -0.822 61.550 62.300 0.119 0.000 0.841 229 V CB 1.000 32.837 31.823 0.023 0.000 0.991 229 V HN 0.635 nan 8.190 nan 0.000 0.437 230 Y N 4.229 124.622 120.300 0.154 0.000 2.361 230 Y HA 0.768 5.318 4.550 0.000 0.000 0.337 230 Y C -0.206 175.761 175.900 0.112 0.000 0.965 230 Y CA -0.786 57.427 58.100 0.189 0.000 1.091 230 Y CB 1.786 40.458 38.460 0.352 0.000 1.182 230 Y HN 0.680 nan 8.280 nan 0.000 0.450 231 A N 4.769 127.369 122.820 -0.367 0.000 2.335 231 A HA 0.891 5.211 4.320 0.000 0.000 0.304 231 A C -1.156 176.190 177.584 -0.397 0.000 1.118 231 A CA -0.169 51.722 52.037 -0.244 0.000 0.757 231 A CB 0.445 19.354 19.000 -0.151 0.000 1.188 231 A HN 1.084 nan 8.150 nan 0.000 0.460 232 A N 1.640 124.375 122.820 -0.142 0.000 2.281 232 A HA 0.868 5.189 4.320 0.000 0.000 0.329 232 A C 0.640 178.266 177.584 0.071 0.000 1.122 232 A CA 0.030 52.059 52.037 -0.013 0.000 0.850 232 A CB 0.679 19.789 19.000 0.185 0.000 1.207 232 A HN 2.165 nan 8.150 nan 0.000 0.495 233 A N -0.166 122.720 122.820 0.110 0.000 2.346 233 A HA 0.658 4.978 4.320 0.000 0.000 0.252 233 A C 0.766 178.421 177.584 0.119 0.000 1.089 233 A CA 0.448 52.538 52.037 0.088 0.000 0.797 233 A CB 0.065 19.053 19.000 -0.019 0.000 1.047 233 A HN 1.836 nan 8.150 nan 0.000 0.494 234 G N -0.809 107.998 108.800 0.011 0.000 3.253 234 G HA2 0.487 4.447 3.960 0.000 0.000 0.175 234 G HA3 0.487 4.447 3.960 0.000 0.000 0.175 234 G C -0.707 174.194 174.900 0.002 0.000 1.098 234 G CA -0.590 44.548 45.100 0.062 0.000 0.790 234 G HN 0.732 nan 8.290 nan 0.000 0.648 235 E N 0.305 120.532 120.200 0.046 0.000 2.414 235 E HA 0.365 4.716 4.350 0.000 0.000 0.263 235 E C 0.915 177.422 176.600 -0.155 0.000 1.000 235 E CA 1.191 57.627 56.400 0.059 0.000 0.914 235 E CB 0.886 30.698 29.700 0.186 0.000 0.948 235 E HN 1.038 nan 8.360 nan 0.000 0.444 236 G N 2.844 111.541 108.800 -0.170 0.000 2.391 236 G HA2 -0.194 3.766 3.960 0.000 0.000 0.204 236 G HA3 -0.194 3.766 3.960 0.000 0.000 0.204 236 G C 0.185 174.896 174.900 -0.314 0.000 1.012 236 G CA -0.500 44.373 45.100 -0.377 0.000 0.651 236 G HN 0.475 nan 8.290 nan 0.000 0.494 237 E N 1.307 121.253 120.200 -0.424 0.000 2.404 237 E HA 0.383 4.733 4.350 0.000 0.000 0.261 237 E C 0.531 176.956 176.600 -0.291 0.000 1.074 237 E CA 0.342 56.374 56.400 -0.613 0.000 0.917 237 E CB 1.238 29.985 29.700 -1.590 0.000 0.965 237 E HN 0.287 nan 8.360 nan 0.000 0.433 238 S N 0.423 116.038 115.700 -0.141 0.000 2.549 238 S HA 0.028 4.498 4.470 0.000 0.000 0.283 238 S C 0.689 175.491 174.600 0.338 0.000 1.320 238 S CA -0.020 58.231 58.200 0.085 0.000 1.058 238 S CB 0.156 63.399 63.200 0.072 0.000 0.882 238 S HN 0.522 nan 8.310 nan 0.000 0.498 239 T N 1.785 116.483 114.554 0.241 0.000 3.258 239 T HA 0.194 4.544 4.350 0.000 0.000 0.263 239 T C 1.313 176.095 174.700 0.136 0.000 0.983 239 T CA -0.265 61.981 62.100 0.243 0.000 0.907 239 T CB -0.216 68.776 68.868 0.207 0.000 1.096 239 T HN 0.551 nan 8.240 nan 0.000 0.556 240 T N 1.914 116.540 114.554 0.120 0.000 2.720 240 T HA -0.086 4.264 4.350 0.000 0.000 0.268 240 T C 1.101 175.827 174.700 0.044 0.000 1.037 240 T CA 1.440 63.579 62.100 0.064 0.000 1.144 240 T CB -0.108 68.787 68.868 0.046 0.000 0.864 240 T HN 0.481 nan 8.240 nan 0.000 0.444 241 D N -0.639 119.793 120.400 0.054 0.000 2.490 241 D HA 0.307 4.947 4.640 0.000 0.000 0.246 241 D C -0.082 176.199 176.300 -0.032 0.000 1.196 241 D CA 0.066 54.070 54.000 0.006 0.000 0.812 241 D CB 1.139 41.930 40.800 -0.015 0.000 1.191 241 D HN 0.296 nan 8.370 nan 0.000 0.531 242 L N 0.290 121.504 121.223 -0.015 0.000 2.359 242 L HA 0.789 5.129 4.340 0.000 0.000 0.256 242 L C -0.769 175.968 176.870 -0.222 0.000 1.026 242 L CA -1.046 53.668 54.840 -0.210 0.000 0.828 242 L CB 2.282 44.088 42.059 -0.423 0.000 1.406 242 L HN -0.219 nan 8.230 nan 0.000 0.413 243 A N -0.011 122.537 122.820 -0.454 0.000 2.430 243 A HA 0.895 5.215 4.320 0.000 0.000 0.300 243 A C -2.346 174.864 177.584 -0.624 0.000 1.124 243 A CA -0.386 51.481 52.037 -0.283 0.000 0.766 243 A CB 1.259 20.272 19.000 0.021 0.000 1.328 243 A HN 0.622 nan 8.150 nan 0.000 0.424 244 W N 0.531 121.902 121.300 0.118 0.000 2.883 244 W HA 0.468 5.128 4.660 0.000 0.000 0.335 244 W C 0.015 176.515 176.519 -0.032 0.000 1.083 244 W CA -0.349 57.022 57.345 0.043 0.000 1.233 244 W CB 1.724 31.207 29.460 0.038 0.000 1.412 244 W HN 0.802 nan 8.180 nan 0.000 0.490 245 D N 0.250 120.621 120.400 -0.048 0.000 2.407 245 D HA 0.113 4.753 4.640 0.000 0.000 0.208 245 D C 1.610 177.767 176.300 -0.239 0.000 1.083 245 D CA 0.436 54.120 54.000 -0.527 0.000 0.844 245 D CB 0.111 40.231 40.800 -1.134 0.000 0.967 245 D HN 0.733 nan 8.370 nan 0.000 0.506 246 G N 1.300 110.096 108.800 -0.007 0.000 2.168 246 G HA2 -0.388 3.572 3.960 0.000 0.000 0.257 246 G HA3 -0.388 3.572 3.960 0.000 0.000 0.257 246 G C 0.124 175.050 174.900 0.044 0.000 0.997 246 G CA 0.560 45.685 45.100 0.041 0.000 0.708 246 G HN 0.669 nan 8.290 nan 0.000 0.520 247 Q N 0.954 120.783 119.800 0.048 0.000 2.286 247 Q HA 0.439 4.779 4.340 0.000 0.000 0.290 247 Q C 0.678 176.799 176.000 0.202 0.000 1.049 247 Q CA 0.912 56.778 55.803 0.104 0.000 0.923 247 Q CB 0.303 29.112 28.738 0.119 0.000 1.183 247 Q HN 0.668 nan 8.270 nan 0.000 0.383 248 T N 2.461 117.109 114.554 0.155 0.000 2.893 248 T HA 0.754 5.104 4.350 0.000 0.000 0.291 248 T C -0.385 174.409 174.700 0.156 0.000 1.028 248 T CA -1.037 61.175 62.100 0.185 0.000 0.995 248 T CB 1.304 70.215 68.868 0.072 0.000 1.051 248 T HN 0.739 nan 8.240 nan 0.000 0.470 249 M N 1.497 121.224 119.600 0.212 0.000 2.534 249 M HA 0.642 5.122 4.480 0.000 0.000 0.280 249 M C -2.197 174.175 176.300 0.121 0.000 1.217 249 M CA -1.083 54.271 55.300 0.090 0.000 0.893 249 M CB 2.000 34.656 32.600 0.093 0.000 1.730 249 M HN 0.556 nan 8.290 nan 0.000 0.483 250 I N 1.696 122.218 120.570 -0.081 0.000 2.478 250 I HA 0.527 4.697 4.170 0.000 0.000 0.287 250 I C -1.773 174.241 176.117 -0.172 0.000 1.042 250 I CA -0.198 61.096 61.300 -0.010 0.000 1.067 250 I CB 1.501 39.476 38.000 -0.041 0.000 1.233 250 I HN 0.741 nan 8.210 nan 0.000 0.431 251 W N 4.292 125.664 121.300 0.119 0.000 2.647 251 W HA 0.594 5.255 4.660 0.000 0.000 0.353 251 W C -0.073 176.506 176.519 0.100 0.000 1.080 251 W CA -0.447 56.955 57.345 0.095 0.000 1.208 251 W CB 1.376 30.893 29.460 0.095 0.000 1.396 251 W HN 0.314 nan 8.180 nan 0.000 0.573 252 E N 1.980 122.387 120.200 0.344 0.000 2.334 252 E HA 0.094 4.445 4.350 0.000 0.000 0.280 252 E C -0.460 176.264 176.600 0.207 0.000 0.899 252 E CA -0.447 56.087 56.400 0.222 0.000 0.813 252 E CB 0.627 30.408 29.700 0.134 0.000 1.318 252 E HN 0.576 nan 8.360 nan 0.000 0.399 253 N N 3.465 122.275 118.700 0.183 0.000 2.716 253 N HA -0.264 4.476 4.740 0.000 0.000 0.250 253 N C 0.535 176.136 175.510 0.151 0.000 1.033 253 N CA 2.253 55.389 53.050 0.144 0.000 0.727 253 N CB -1.127 37.433 38.487 0.122 0.000 0.950 253 N HN 0.988 nan 8.380 nan 0.000 0.541 254 G N -2.874 106.037 108.800 0.185 0.000 2.195 254 G HA2 -0.038 3.923 3.960 0.000 0.000 0.246 254 G HA3 -0.038 3.923 3.960 0.000 0.000 0.246 254 G C 0.175 175.286 174.900 0.352 0.000 0.984 254 G CA 0.518 45.717 45.100 0.165 0.000 0.633 254 G HN 1.370 nan 8.290 nan 0.000 0.525 255 A N 0.845 123.882 122.820 0.361 0.000 2.304 255 A HA 0.743 5.063 4.320 0.000 0.000 0.323 255 A C 0.326 177.995 177.584 0.140 0.000 1.195 255 A CA -0.522 51.671 52.037 0.261 0.000 0.826 255 A CB 1.054 20.128 19.000 0.124 0.000 1.184 255 A HN 0.945 nan 8.150 nan 0.000 0.496 256 L N 3.832 124.916 121.223 -0.231 0.000 2.433 256 L HA 0.071 4.411 4.340 0.000 0.000 0.275 256 L C 0.117 176.744 176.870 -0.404 0.000 1.128 256 L CA -0.146 54.194 54.840 -0.832 0.000 0.875 256 L CB 0.667 42.147 42.059 -0.965 0.000 1.171 256 L HN 0.811 nan 8.230 nan 0.000 0.463 257 L N 5.531 126.545 121.223 -0.348 0.000 2.145 257 L HA 0.284 4.624 4.340 0.000 0.000 0.201 257 L C 0.767 177.512 176.870 -0.208 0.000 1.075 257 L CA 1.099 55.819 54.840 -0.200 0.000 0.773 257 L CB -0.489 41.499 42.059 -0.118 0.000 0.936 257 L HN 0.735 nan 8.230 nan 0.000 0.451 258 A N -0.856 121.817 122.820 -0.245 0.000 2.594 258 A HA 0.699 5.019 4.320 0.000 0.000 0.295 258 A C -1.196 176.265 177.584 -0.205 0.000 1.071 258 A CA -0.431 51.495 52.037 -0.186 0.000 0.685 258 A CB 1.493 20.418 19.000 -0.125 0.000 1.285 258 A HN 0.158 nan 8.150 nan 0.000 0.405 259 E N -0.099 120.016 120.200 -0.143 0.000 2.390 259 E HA 0.648 4.998 4.350 0.000 0.000 0.280 259 E C -0.758 175.814 176.600 -0.046 0.000 0.992 259 E CA -0.446 55.898 56.400 -0.093 0.000 0.790 259 E CB 1.622 31.256 29.700 -0.110 0.000 1.248 259 E HN 0.939 nan 8.360 nan 0.000 0.447 260 S N 0.856 116.550 115.700 -0.010 0.000 2.718 260 S HA 0.327 4.797 4.470 0.000 0.000 0.300 260 S C 0.037 174.647 174.600 0.018 0.000 1.117 260 S CA -0.910 57.291 58.200 0.003 0.000 1.002 260 S CB 1.390 64.598 63.200 0.013 0.000 1.092 260 S HN 0.700 nan 8.310 nan 0.000 0.542 261 E N 0.648 120.864 120.200 0.027 0.000 2.529 261 E HA -0.015 4.335 4.350 0.000 0.000 0.259 261 E C -0.280 176.350 176.600 0.049 0.000 0.966 261 E CA 0.073 56.501 56.400 0.047 0.000 0.937 261 E CB 0.386 30.120 29.700 0.056 0.000 0.923 261 E HN 0.443 nan 8.360 nan 0.000 0.468 262 R N 3.280 123.818 120.500 0.064 0.000 2.441 262 R HA 0.160 4.500 4.340 0.000 0.000 0.284 262 R C -0.285 176.104 176.300 0.148 0.000 1.070 262 R CA -0.356 55.736 56.100 -0.015 0.000 1.047 262 R CB 0.360 30.640 30.300 -0.032 0.000 1.016 262 R HN 0.613 nan 8.270 nan 0.000 0.477 263 F N -0.173 119.828 119.950 0.085 0.000 2.983 263 F HA -0.162 4.365 4.527 0.000 0.000 0.288 263 F C -1.772 174.070 175.800 0.070 0.000 0.980 263 F CA -0.420 57.630 58.000 0.083 0.000 0.965 263 F CB -1.803 37.238 39.000 0.068 0.000 0.967 263 F HN 0.461 nan 8.300 nan 0.000 0.800 264 P HA 0.209 nan 4.420 nan 0.000 0.274 264 P C -0.170 177.204 177.300 0.123 0.000 1.231 264 P CA -0.368 62.809 63.100 0.127 0.000 0.790 264 P CB 1.175 32.927 31.700 0.087 0.000 0.951 265 K N 1.494 121.950 120.400 0.094 0.000 2.250 265 K HA 0.555 4.875 4.320 0.000 0.000 0.280 265 K C 0.267 176.897 176.600 0.051 0.000 1.098 265 K CA 0.484 56.813 56.287 0.071 0.000 0.916 265 K CB -0.656 31.876 32.500 0.054 0.000 1.209 265 K HN 0.875 nan 8.250 nan 0.000 0.461 266 G N 0.845 109.676 108.800 0.052 0.000 2.541 266 G HA2 -0.118 3.842 3.960 0.000 0.000 0.686 266 G HA3 -0.118 3.842 3.960 0.000 0.000 0.686 266 G C -0.791 174.147 174.900 0.063 0.000 1.286 266 G CA -0.647 44.476 45.100 0.038 0.000 0.894 266 G HN 0.861 nan 8.290 nan 0.000 0.575 267 V N -1.452 118.501 119.914 0.065 0.000 2.775 267 V HA 0.886 5.006 4.120 0.000 0.000 0.299 267 V C 0.338 176.470 176.094 0.064 0.000 1.062 267 V CA -0.571 61.780 62.300 0.085 0.000 1.063 267 V CB 1.398 33.289 31.823 0.114 0.000 0.994 267 V HN 0.979 nan 8.190 nan 0.000 0.483 268 R N 3.276 123.811 120.500 0.059 0.000 2.854 268 R HA 0.717 5.057 4.340 0.000 0.000 0.271 268 R C -0.892 175.416 176.300 0.013 0.000 0.994 268 R CA -0.841 55.280 56.100 0.035 0.000 0.945 268 R CB 2.370 32.691 30.300 0.035 0.000 1.194 268 R HN 0.899 nan 8.270 nan 0.000 0.476 269 R N -0.268 120.229 120.500 -0.005 0.000 2.725 269 R HA 0.487 4.827 4.340 0.000 0.000 0.277 269 R C -0.793 175.487 176.300 -0.033 0.000 0.987 269 R CA -0.612 55.466 56.100 -0.036 0.000 0.901 269 R CB 2.267 32.539 30.300 -0.045 0.000 1.207 269 R HN 0.463 nan 8.270 nan 0.000 0.463 270 S N 1.128 116.802 115.700 -0.043 0.000 2.462 270 S HA 0.526 4.996 4.470 0.000 0.000 0.294 270 S C -0.580 173.984 174.600 -0.059 0.000 1.144 270 S CA -0.762 57.409 58.200 -0.049 0.000 1.088 270 S CB 1.438 64.612 63.200 -0.043 0.000 1.009 270 S HN 0.253 nan 8.310 nan 0.000 0.484 271 V N 1.794 121.671 119.914 -0.062 0.000 2.656 271 V HA 0.954 5.074 4.120 0.000 0.000 0.307 271 V C -0.150 175.896 176.094 -0.079 0.000 1.051 271 V CA -0.671 61.590 62.300 -0.064 0.000 0.893 271 V CB 1.477 33.269 31.823 -0.052 0.000 0.999 271 V HN 1.017 nan 8.190 nan 0.000 0.426 272 A N 2.406 125.175 122.820 -0.084 0.000 2.574 272 A HA 0.729 5.049 4.320 0.000 0.000 0.297 272 A C -1.632 175.889 177.584 -0.106 0.000 1.062 272 A CA -0.675 51.303 52.037 -0.099 0.000 0.686 272 A CB 1.589 20.536 19.000 -0.087 0.000 1.285 272 A HN 0.690 nan 8.150 nan 0.000 0.403 273 D N 1.583 121.902 120.400 -0.136 0.000 2.313 273 D HA 0.398 5.038 4.640 0.000 0.000 0.239 273 D C -0.181 176.141 176.300 0.037 0.000 1.142 273 D CA 0.220 54.149 54.000 -0.118 0.000 0.847 273 D CB 1.626 42.242 40.800 -0.306 0.000 1.082 273 D HN 0.198 nan 8.370 nan 0.000 0.480 274 V N 2.869 122.817 119.914 0.056 0.000 2.530 274 V HA 0.010 4.130 4.120 0.000 0.000 0.282 274 V C 0.533 176.708 176.094 0.136 0.000 1.048 274 V CA -0.435 61.913 62.300 0.080 0.000 0.997 274 V CB 1.455 33.278 31.823 -0.000 0.000 0.987 274 V HN 0.406 nan 8.190 nan 0.000 0.477 275 D N 3.719 124.160 120.400 0.068 0.000 2.393 275 D HA 0.098 4.738 4.640 0.000 0.000 0.232 275 D C 1.415 177.572 176.300 -0.239 0.000 1.192 275 D CA 0.139 53.964 54.000 -0.291 0.000 0.882 275 D CB 1.526 42.202 40.800 -0.206 0.000 1.038 275 D HN 0.748 nan 8.370 nan 0.000 0.499 276 T N 0.682 115.078 114.554 -0.264 0.000 2.915 276 T HA -0.107 4.243 4.350 0.000 0.000 0.269 276 T C 1.332 175.959 174.700 -0.121 0.000 1.071 276 T CA 0.886 62.911 62.100 -0.125 0.000 1.132 276 T CB -0.024 68.806 68.868 -0.062 0.000 0.878 276 T HN 0.392 nan 8.240 nan 0.000 0.479 277 E N 0.816 120.886 120.200 -0.216 0.000 2.112 277 E HA 0.114 4.464 4.350 0.000 0.000 0.190 277 E C 2.143 178.794 176.600 0.086 0.000 0.979 277 E CA 0.626 56.971 56.400 -0.092 0.000 0.814 277 E CB -0.273 29.282 29.700 -0.243 0.000 0.762 277 E HN 0.430 nan 8.360 nan 0.000 0.460 278 L N 1.092 122.315 121.223 0.000 0.000 2.042 278 L HA -0.228 4.112 4.340 0.000 0.000 0.210 278 L C 2.126 178.963 176.870 -0.056 0.000 1.076 278 L CA 1.301 56.087 54.840 -0.090 0.000 0.749 278 L CB -0.069 41.862 42.059 -0.214 0.000 0.893 278 L HN 0.149 nan 8.230 nan 0.000 0.432 279 L N -0.795 120.407 121.223 -0.035 0.000 2.072 279 L HA -0.189 4.152 4.340 0.000 0.000 0.205 279 L C 2.787 179.633 176.870 -0.040 0.000 1.079 279 L CA 1.272 56.095 54.840 -0.028 0.000 0.752 279 L CB -0.630 41.424 42.059 -0.009 0.000 0.906 279 L HN 0.276 nan 8.230 nan 0.000 0.436 280 R N 0.014 120.506 120.500 -0.012 0.000 2.103 280 R HA -0.182 4.158 4.340 0.000 0.000 0.242 280 R C 2.432 178.742 176.300 0.017 0.000 1.142 280 R CA 1.953 58.052 56.100 -0.001 0.000 0.960 280 R CB -0.131 30.182 30.300 0.021 0.000 0.858 280 R HN 0.191 nan 8.270 nan 0.000 0.439 281 S N 0.230 115.969 115.700 0.067 0.000 2.383 281 S HA -0.063 4.407 4.470 0.000 0.000 0.227 281 S C 1.499 176.140 174.600 0.067 0.000 1.026 281 S CA 0.932 59.193 58.200 0.102 0.000 0.981 281 S CB -0.015 63.286 63.200 0.169 0.000 0.818 281 S HN 0.365 nan 8.310 nan 0.000 0.472 282 E N 1.099 121.321 120.200 0.037 0.000 2.112 282 E HA 0.011 4.361 4.350 0.000 0.000 0.190 282 E C 2.166 178.708 176.600 -0.097 0.000 0.979 282 E CA 0.585 56.986 56.400 0.002 0.000 0.814 282 E CB -0.112 29.592 29.700 0.007 0.000 0.762 282 E HN 0.429 nan 8.360 nan 0.000 0.460 283 R N 0.401 120.793 120.500 -0.179 0.000 2.090 283 R HA 0.074 4.415 4.340 0.000 0.000 0.228 283 R C 2.495 178.724 176.300 -0.118 0.000 1.110 283 R CA 0.310 56.224 56.100 -0.310 0.000 0.973 283 R CB -0.181 29.874 30.300 -0.409 0.000 0.869 283 R HN 0.110 nan 8.270 nan 0.000 0.440 284 L N 0.635 121.831 121.223 -0.044 0.000 2.127 284 L HA -0.199 4.141 4.340 0.000 0.000 0.211 284 L C 1.908 178.793 176.870 0.024 0.000 1.089 284 L CA 1.782 56.629 54.840 0.011 0.000 0.757 284 L CB -0.118 41.965 42.059 0.039 0.000 0.899 284 L HN 0.241 nan 8.230 nan 0.000 0.434 285 R N -1.652 118.857 120.500 0.015 0.000 2.167 285 R HA 0.097 4.437 4.340 0.000 0.000 0.201 285 R C 1.125 177.444 176.300 0.031 0.000 1.024 285 R CA -0.083 56.034 56.100 0.029 0.000 1.053 285 R CB 0.227 30.543 30.300 0.026 0.000 0.987 285 R HN 0.140 nan 8.270 nan 0.000 0.493 286 M N 1.726 121.339 119.600 0.022 0.000 2.974 286 M HA 0.138 4.618 4.480 0.000 0.000 0.301 286 M C 0.625 176.987 176.300 0.102 0.000 1.409 286 M CA -0.036 55.298 55.300 0.057 0.000 1.515 286 M CB 0.941 33.575 32.600 0.057 0.000 1.163 286 M HN 0.236 nan 8.290 nan 0.000 0.520 287 G N 1.241 110.093 108.800 0.086 0.000 2.462 287 G HA2 -0.238 3.722 3.960 0.000 0.000 0.220 287 G HA3 -0.238 3.722 3.960 0.000 0.000 0.220 287 G C 1.242 176.215 174.900 0.121 0.000 1.121 287 G CA 1.404 46.561 45.100 0.096 0.000 0.758 287 G HN 0.745 nan 8.290 nan 0.000 0.559 288 T N -1.346 113.276 114.554 0.114 0.000 2.929 288 T HA -0.101 4.249 4.350 0.000 0.000 0.271 288 T C 2.010 176.791 174.700 0.135 0.000 1.085 288 T CA 0.956 63.115 62.100 0.098 0.000 1.125 288 T CB -0.325 68.588 68.868 0.075 0.000 0.874 288 T HN 0.195 nan 8.240 nan 0.000 0.494 289 F N 2.742 122.708 119.950 0.027 0.000 2.102 289 F HA -0.052 4.475 4.527 0.000 0.000 0.298 289 F C 2.023 177.844 175.800 0.034 0.000 1.105 289 F CA 1.816 59.835 58.000 0.030 0.000 1.239 289 F CB -0.428 38.590 39.000 0.030 0.000 0.991 289 F HN 0.165 nan 8.300 nan 0.000 0.474 290 D N -0.362 120.207 120.400 0.282 0.000 2.183 290 D HA -0.160 4.480 4.640 0.000 0.000 0.203 290 D C 1.747 178.096 176.300 0.081 0.000 0.969 290 D CA 1.341 55.444 54.000 0.172 0.000 0.842 290 D CB -0.244 40.655 40.800 0.166 0.000 0.957 290 D HN 0.202 nan 8.370 nan 0.000 0.484 291 D N -0.159 120.286 120.400 0.073 0.000 2.133 291 D HA -0.192 4.448 4.640 0.000 0.000 0.195 291 D C 1.730 178.052 176.300 0.037 0.000 0.997 291 D CA 0.831 54.859 54.000 0.046 0.000 0.840 291 D CB -0.496 40.325 40.800 0.034 0.000 0.947 291 D HN 0.233 nan 8.370 nan 0.000 0.452 292 N N 0.697 119.404 118.700 0.012 0.000 2.188 292 N HA -0.142 4.598 4.740 0.000 0.000 0.184 292 N C 1.676 177.235 175.510 0.082 0.000 1.018 292 N CA 0.847 53.912 53.050 0.025 0.000 0.858 292 N CB -0.005 38.445 38.487 -0.061 0.000 0.989 292 N HN 0.083 nan 8.380 nan 0.000 0.426 293 R N 0.448 120.946 120.500 -0.004 0.000 2.083 293 R HA -0.058 4.282 4.340 0.000 0.000 0.237 293 R C 1.914 178.251 176.300 0.060 0.000 1.137 293 R CA 1.448 57.558 56.100 0.016 0.000 0.951 293 R CB -0.086 30.208 30.300 -0.010 0.000 0.851 293 R HN 0.255 nan 8.270 nan 0.000 0.434 294 R N -1.230 119.301 120.500 0.052 0.000 2.115 294 R HA -0.127 4.213 4.340 0.000 0.000 0.230 294 R C 2.287 178.601 176.300 0.023 0.000 1.111 294 R CA 1.465 57.588 56.100 0.038 0.000 0.976 294 R CB -0.543 29.779 30.300 0.037 0.000 0.870 294 R HN 0.412 nan 8.270 nan 0.000 0.445 295 H N 0.223 119.241 119.070 -0.086 0.000 2.387 295 H HA -0.076 4.480 4.556 0.000 0.000 0.299 295 H C 0.497 175.634 175.328 -0.318 0.000 1.099 295 H CA 1.348 57.268 56.048 -0.213 0.000 1.315 295 H CB 0.188 29.773 29.762 -0.295 0.000 1.380 295 H HN 0.194 nan 8.280 nan 0.000 0.513 296 H N -0.055 119.023 119.070 0.013 0.000 2.476 296 H HA 0.168 4.724 4.556 0.000 0.000 0.256 296 H C 1.506 176.824 175.328 -0.016 0.000 1.321 296 H CA -0.077 55.954 56.048 -0.028 0.000 1.056 296 H CB 0.228 30.005 29.762 0.025 0.000 1.643 296 H HN 0.410 nan 8.280 nan 0.000 0.541 297 R N 1.238 121.753 120.500 0.025 0.000 2.066 297 R HA -0.146 4.194 4.340 0.000 0.000 0.232 297 R C 2.286 178.614 176.300 0.046 0.000 1.131 297 R CA 1.733 57.852 56.100 0.031 0.000 0.955 297 R CB 0.168 30.468 30.300 -0.000 0.000 0.851 297 R HN 0.446 nan 8.270 nan 0.000 0.432 298 E N 1.076 121.294 120.200 0.030 0.000 2.077 298 E HA -0.175 4.175 4.350 0.000 0.000 0.193 298 E C 1.795 178.433 176.600 0.063 0.000 0.989 298 E CA 1.381 57.802 56.400 0.034 0.000 0.800 298 E CB -0.790 28.919 29.700 0.014 0.000 0.746 298 E HN 0.298 nan 8.360 nan 0.000 0.452 299 L N 1.293 122.571 121.223 0.091 0.000 2.275 299 L HA -0.006 4.334 4.340 0.000 0.000 0.215 299 L C 2.517 179.520 176.870 0.221 0.000 1.119 299 L CA 2.588 57.502 54.840 0.123 0.000 0.790 299 L CB -0.195 41.944 42.059 0.134 0.000 0.919 299 L HN 0.579 nan 8.230 nan 0.000 0.443 300 T N -6.469 108.199 114.554 0.191 0.000 3.001 300 T HA 0.114 4.464 4.350 0.000 0.000 0.251 300 T C 1.466 176.284 174.700 0.196 0.000 1.040 300 T CA 0.060 62.272 62.100 0.187 0.000 0.985 300 T CB 0.004 68.899 68.868 0.044 0.000 1.011 300 T HN 0.289 nan 8.240 nan 0.000 0.509 301 E N 1.579 121.873 120.200 0.158 0.000 2.452 301 E HA 0.068 4.418 4.350 0.000 0.000 0.197 301 E C 1.545 178.214 176.600 0.115 0.000 1.022 301 E CA 0.480 56.945 56.400 0.109 0.000 0.890 301 E CB 0.346 30.082 29.700 0.061 0.000 0.918 301 E HN 0.672 nan 8.360 nan 0.000 0.496 302 S N -0.091 115.686 115.700 0.128 0.000 2.575 302 S HA 0.110 4.580 4.470 0.000 0.000 0.215 302 S C 0.376 174.980 174.600 0.007 0.000 0.966 302 S CA -0.466 57.758 58.200 0.040 0.000 0.911 302 S CB -0.298 62.886 63.200 -0.026 0.000 0.780 302 S HN -0.043 nan 8.310 nan 0.000 0.514 303 F N 3.119 123.042 119.950 -0.045 0.000 2.572 303 F HA 0.288 4.815 4.527 0.000 0.000 0.370 303 F C 1.306 177.061 175.800 -0.074 0.000 1.103 303 F CA -0.378 57.584 58.000 -0.063 0.000 1.286 303 F CB 0.398 39.354 39.000 -0.073 0.000 1.105 303 F HN -0.053 nan 8.300 nan 0.000 0.583 304 R N 2.884 123.391 120.500 0.012 0.000 2.234 304 R HA 0.243 4.583 4.340 0.000 0.000 0.324 304 R C -0.012 176.252 176.300 -0.060 0.000 1.054 304 R CA -0.603 55.476 56.100 -0.034 0.000 0.912 304 R CB 0.683 30.935 30.300 -0.079 0.000 1.030 304 R HN 0.545 nan 8.270 nan 0.000 0.455 305 R N 4.560 125.033 120.500 -0.046 0.000 2.265 305 R HA 0.205 4.545 4.340 0.000 0.000 0.314 305 R C -0.455 175.786 176.300 -0.097 0.000 1.053 305 R CA -0.287 55.766 56.100 -0.078 0.000 0.931 305 R CB 0.558 30.834 30.300 -0.040 0.000 1.024 305 R HN 0.506 nan 8.270 nan 0.000 0.457 306 I N 4.776 125.254 120.570 -0.154 0.000 2.354 306 I HA 0.227 4.397 4.170 0.000 0.000 0.286 306 I C -0.430 175.746 176.117 0.098 0.000 1.007 306 I CA -0.771 60.501 61.300 -0.046 0.000 1.167 306 I CB 1.359 39.311 38.000 -0.079 0.000 1.320 306 I HN 0.555 nan 8.210 nan 0.000 0.458 307 D N 7.399 127.853 120.400 0.089 0.000 2.283 307 D HA 0.598 5.238 4.640 0.000 0.000 0.248 307 D C -0.470 175.962 176.300 0.221 0.000 1.072 307 D CA 0.279 54.318 54.000 0.066 0.000 0.929 307 D CB 1.833 42.625 40.800 -0.013 0.000 1.182 307 D HN 0.426 nan 8.370 nan 0.000 0.433 308 F N -1.839 118.117 119.950 0.010 0.000 2.654 308 F HA 0.644 5.171 4.527 0.000 0.000 0.308 308 F C -1.413 174.397 175.800 0.016 0.000 1.108 308 F CA -1.455 56.565 58.000 0.033 0.000 0.957 308 F CB 1.093 40.084 39.000 -0.015 0.000 1.309 308 F HN 0.282 nan 8.300 nan 0.000 0.446 309 A N 3.496 126.394 122.820 0.129 0.000 2.274 309 A HA 0.532 4.852 4.320 0.000 0.000 0.309 309 A C 0.350 178.090 177.584 0.259 0.000 1.226 309 A CA -0.675 51.397 52.037 0.059 0.000 0.853 309 A CB 0.958 20.001 19.000 0.072 0.000 1.146 309 A HN 1.114 nan 8.150 nan 0.000 0.518 310 L N 1.309 122.613 121.223 0.135 0.000 2.131 310 L HA -0.014 4.326 4.340 0.000 0.000 0.206 310 L C 0.432 177.397 176.870 0.159 0.000 1.087 310 L CA 1.185 56.168 54.840 0.237 0.000 0.767 310 L CB -0.230 41.920 42.059 0.152 0.000 0.917 310 L HN 0.993 nan 8.230 nan 0.000 0.441 311 D N 0.815 121.250 120.400 0.058 0.000 2.886 311 D HA -0.130 4.510 4.640 0.000 0.000 0.221 311 D C -2.014 174.237 176.300 -0.081 0.000 1.227 311 D CA -0.009 53.987 54.000 -0.006 0.000 0.746 311 D CB -0.018 40.797 40.800 0.025 0.000 0.935 311 D HN 0.218 nan 8.370 nan 0.000 0.399 312 P HA 0.300 nan 4.420 nan 0.000 0.274 312 P C -2.485 174.614 177.300 -0.335 0.000 1.256 312 P CA -1.126 61.693 63.100 -0.469 0.000 0.795 312 P CB -0.001 30.998 31.700 -1.168 0.000 1.038 313 P HA 0.074 nan 4.420 nan 0.000 0.268 313 P C 0.052 177.333 177.300 -0.031 0.000 1.205 313 P CA 0.009 63.052 63.100 -0.095 0.000 0.771 313 P CB 0.456 32.143 31.700 -0.022 0.000 0.858 314 A N 2.832 125.654 122.820 0.003 0.000 2.169 314 A HA 0.325 4.645 4.320 0.000 0.000 0.210 314 A C 1.289 178.911 177.584 0.064 0.000 1.168 314 A CA 0.861 52.915 52.037 0.029 0.000 0.813 314 A CB -0.544 18.460 19.000 0.007 0.000 0.861 314 A HN 0.630 nan 8.150 nan 0.000 0.481 315 G N -0.711 108.134 108.800 0.074 0.000 2.510 315 G HA2 0.368 4.328 3.960 0.000 0.000 0.280 315 G HA3 0.368 4.328 3.960 0.000 0.000 0.280 315 G C -0.922 174.056 174.900 0.130 0.000 1.386 315 G CA -0.203 44.953 45.100 0.093 0.000 1.047 315 G HN 0.093 nan 8.290 nan 0.000 0.527 316 D N 0.039 120.521 120.400 0.137 0.000 2.339 316 D HA 0.149 4.790 4.640 0.000 0.000 0.256 316 D C 0.979 177.354 176.300 0.126 0.000 1.214 316 D CA -0.235 53.864 54.000 0.164 0.000 0.877 316 D CB 0.380 41.263 40.800 0.137 0.000 1.111 316 D HN 0.334 nan 8.370 nan 0.000 0.478 317 I N 1.203 121.855 120.570 0.137 0.000 3.658 317 I HA 0.479 4.649 4.170 0.000 0.000 0.328 317 I C 0.783 176.948 176.117 0.080 0.000 1.567 317 I CA -0.539 60.819 61.300 0.096 0.000 1.078 317 I CB 0.245 38.302 38.000 0.095 0.000 1.267 317 I HN 0.434 nan 8.210 nan 0.000 0.495 318 G N 2.167 111.048 108.800 0.135 0.000 2.692 318 G HA2 -0.226 3.734 3.960 0.000 0.000 0.248 318 G HA3 -0.226 3.734 3.960 0.000 0.000 0.248 318 G C -1.013 173.895 174.900 0.014 0.000 1.340 318 G CA -0.052 45.132 45.100 0.140 0.000 0.896 318 G HN 0.431 nan 8.290 nan 0.000 0.570 319 L N -0.357 120.768 121.223 -0.164 0.000 2.404 319 L HA 0.482 4.822 4.340 0.000 0.000 0.272 319 L C -0.393 176.267 176.870 -0.350 0.000 0.980 319 L CA -0.927 53.644 54.840 -0.448 0.000 0.836 319 L CB 1.405 42.840 42.059 -1.041 0.000 1.238 319 L HN 0.537 nan 8.230 nan 0.000 0.408 320 L N 5.760 126.803 121.223 -0.300 0.000 2.583 320 L HA 0.380 4.721 4.340 0.000 0.000 0.239 320 L C 0.107 176.839 176.870 -0.230 0.000 1.347 320 L CA 0.506 55.216 54.840 -0.216 0.000 1.246 320 L CB -0.800 41.163 42.059 -0.159 0.000 1.496 320 L HN 0.534 nan 8.230 nan 0.000 0.413 321 R N -0.002 120.342 120.500 -0.260 0.000 2.594 321 R HA 0.266 4.606 4.340 0.000 0.000 0.265 321 R C -0.956 175.222 176.300 -0.203 0.000 1.070 321 R CA -0.630 55.334 56.100 -0.228 0.000 0.909 321 R CB 1.654 31.777 30.300 -0.294 0.000 1.243 321 R HN 0.058 nan 8.270 nan 0.000 0.455 322 E N 3.136 123.245 120.200 -0.152 0.000 1.996 322 E HA 0.158 4.508 4.350 0.000 0.000 0.280 322 E C -0.760 175.766 176.600 -0.124 0.000 1.092 322 E CA -0.186 56.127 56.400 -0.144 0.000 0.862 322 E CB 1.491 31.115 29.700 -0.127 0.000 1.066 322 E HN 0.248 nan 8.360 nan 0.000 0.396 323 V N 4.555 124.386 119.914 -0.139 0.000 2.320 323 V HA 0.067 4.187 4.120 0.000 0.000 0.265 323 V C 0.691 176.713 176.094 -0.120 0.000 1.048 323 V CA -0.659 61.596 62.300 -0.075 0.000 0.865 323 V CB 0.717 32.523 31.823 -0.029 0.000 1.043 323 V HN 0.418 nan 8.190 nan 0.000 0.474 324 E N 3.864 124.000 120.200 -0.107 0.000 2.415 324 E HA 0.073 4.423 4.350 0.000 0.000 0.263 324 E C 0.966 177.472 176.600 -0.156 0.000 0.995 324 E CA 0.008 56.306 56.400 -0.170 0.000 0.915 324 E CB 1.110 30.724 29.700 -0.144 0.000 0.951 324 E HN 0.472 nan 8.360 nan 0.000 0.449 325 R N 1.655 121.875 120.500 -0.467 0.000 2.115 325 R HA -0.055 4.285 4.340 0.000 0.000 0.230 325 R C 0.231 176.276 176.300 -0.426 0.000 1.111 325 R CA 0.998 56.583 56.100 -0.859 0.000 0.976 325 R CB 0.121 29.326 30.300 -1.826 0.000 0.870 325 R HN 0.314 nan 8.270 nan 0.000 0.445 326 F N -0.148 119.799 119.950 -0.006 0.000 2.443 326 F HA 0.308 4.835 4.527 0.000 0.000 0.369 326 F C -1.789 173.936 175.800 -0.124 0.000 1.090 326 F CA -2.558 55.493 58.000 0.086 0.000 1.129 326 F CB 1.934 40.993 39.000 0.098 0.000 1.367 326 F HN -0.202 nan 8.300 nan 0.000 0.465 327 P HA -0.104 nan 4.420 nan 0.000 0.222 327 P C 1.041 177.894 177.300 -0.745 0.000 1.147 327 P CA 1.407 64.004 63.100 -0.837 0.000 0.790 327 P CB 0.015 30.700 31.700 -1.693 0.000 0.780 328 F N -1.817 118.029 119.950 -0.172 0.000 2.727 328 F HA 0.106 4.633 4.527 0.000 0.000 0.302 328 F C 0.537 176.340 175.800 0.004 0.000 1.097 328 F CA 0.084 58.058 58.000 -0.043 0.000 1.330 328 F CB 0.514 39.536 39.000 0.037 0.000 1.084 328 F HN -0.375 nan 8.300 nan 0.000 0.578 329 V N 2.298 122.312 119.914 0.166 0.000 2.443 329 V HA 0.254 4.374 4.120 0.000 0.000 0.272 329 V C -2.440 173.650 176.094 -0.008 0.000 1.002 329 V CA -1.978 60.332 62.300 0.015 0.000 0.840 329 V CB 0.767 32.483 31.823 -0.179 0.000 1.042 329 V HN -0.159 nan 8.190 nan 0.000 0.446 330 P HA 0.113 nan 4.420 nan 0.000 0.267 330 P C 0.751 178.032 177.300 -0.032 0.000 1.205 330 P CA 0.165 63.248 63.100 -0.029 0.000 0.765 330 P CB 1.521 33.210 31.700 -0.017 0.000 0.828 331 A N 2.811 125.615 122.820 -0.027 0.000 2.066 331 A HA -0.091 4.229 4.320 0.000 0.000 0.218 331 A C 0.987 178.575 177.584 0.008 0.000 1.157 331 A CA 0.760 52.791 52.037 -0.010 0.000 0.670 331 A CB -0.782 18.195 19.000 -0.039 0.000 0.804 331 A HN 0.513 nan 8.150 nan 0.000 0.453 332 D N -0.323 120.076 120.400 -0.002 0.000 2.371 332 D HA 0.223 4.863 4.640 0.000 0.000 0.256 332 D C -1.604 174.713 176.300 0.027 0.000 1.193 332 D CA -1.991 52.016 54.000 0.011 0.000 0.881 332 D CB 1.033 41.835 40.800 0.003 0.000 1.143 332 D HN 0.001 nan 8.370 nan 0.000 0.473 333 P HA -0.178 nan 4.420 nan 0.000 0.215 333 P C 1.390 178.728 177.300 0.064 0.000 1.157 333 P CA 0.925 64.061 63.100 0.060 0.000 0.874 333 P CB 0.229 31.964 31.700 0.059 0.000 0.790 334 Q N -1.170 118.660 119.800 0.050 0.000 2.119 334 Q HA -0.141 4.199 4.340 0.000 0.000 0.201 334 Q C 2.463 178.495 176.000 0.055 0.000 0.972 334 Q CA 1.523 57.358 55.803 0.053 0.000 0.847 334 Q CB -0.832 27.928 28.738 0.037 0.000 0.903 334 Q HN 0.111 nan 8.270 nan 0.000 0.433 335 R N 0.481 121.005 120.500 0.040 0.000 2.075 335 R HA -0.026 4.314 4.340 0.000 0.000 0.232 335 R C 2.067 178.392 176.300 0.041 0.000 1.126 335 R CA 1.442 57.562 56.100 0.034 0.000 0.963 335 R CB -0.981 29.329 30.300 0.016 0.000 0.858 335 R HN 0.401 nan 8.270 nan 0.000 0.435 336 L N 0.590 121.837 121.223 0.040 0.000 2.046 336 L HA -0.159 4.181 4.340 0.000 0.000 0.208 336 L C 2.376 179.294 176.870 0.079 0.000 1.077 336 L CA 2.262 57.124 54.840 0.036 0.000 0.747 336 L CB -1.237 40.830 42.059 0.014 0.000 0.896 336 L HN 0.281 nan 8.230 nan 0.000 0.432 337 Q N -0.887 118.995 119.800 0.136 0.000 2.096 337 Q HA -0.302 4.038 4.340 0.000 0.000 0.204 337 Q C 2.345 178.462 176.000 0.195 0.000 0.982 337 Q CA 2.045 57.997 55.803 0.249 0.000 0.850 337 Q CB -0.478 28.404 28.738 0.241 0.000 0.901 337 Q HN 0.780 nan 8.270 nan 0.000 0.422 338 Q N 0.361 120.238 119.800 0.128 0.000 2.079 338 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 338 Q C 1.731 177.793 176.000 0.103 0.000 0.974 338 Q CA 2.382 58.261 55.803 0.127 0.000 0.840 338 Q CB -0.631 28.160 28.738 0.088 0.000 0.898 338 Q HN 0.641 nan 8.270 nan 0.000 0.430 339 D N -1.075 119.353 120.400 0.046 0.000 2.123 339 D HA -0.159 4.481 4.640 0.000 0.000 0.196 339 D C 1.796 178.051 176.300 -0.076 0.000 0.992 339 D CA 1.438 55.448 54.000 0.017 0.000 0.833 339 D CB -0.376 40.442 40.800 0.030 0.000 0.954 339 D HN 0.334 nan 8.370 nan 0.000 0.455 340 C N -0.139 119.050 119.300 -0.184 0.000 2.446 340 C HA -0.115 4.345 4.460 0.000 0.000 0.277 340 C C 2.481 176.966 174.990 -0.841 0.000 1.275 340 C CA 0.155 58.890 59.018 -0.472 0.000 1.727 340 C CB -1.162 26.221 27.740 -0.595 0.000 2.010 340 C HN 0.431 nan 8.230 nan 0.000 0.486 341 Y N 2.348 122.104 120.300 -0.907 0.000 2.165 341 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 341 Y C 2.240 177.966 175.900 -0.290 0.000 1.155 341 Y CA 2.104 59.772 58.100 -0.721 0.000 1.164 341 Y CB -0.493 37.902 38.460 -0.108 0.000 0.978 341 Y HN 0.447 nan 8.280 nan 0.000 0.513 342 E N 0.207 120.222 120.200 -0.308 0.000 2.076 342 E HA -0.078 4.272 4.350 0.000 0.000 0.190 342 E C 2.461 178.944 176.600 -0.196 0.000 0.979 342 E CA 0.731 56.965 56.400 -0.277 0.000 0.807 342 E CB -0.343 29.335 29.700 -0.036 0.000 0.761 342 E HN 0.552 nan 8.360 nan 0.000 0.454 343 A N 1.229 123.967 122.820 -0.135 0.000 1.883 343 A HA -0.251 4.069 4.320 0.000 0.000 0.217 343 A C 2.102 179.672 177.584 -0.023 0.000 1.186 343 A CA 1.665 53.667 52.037 -0.058 0.000 0.624 343 A CB -0.910 18.067 19.000 -0.038 0.000 0.822 343 A HN 0.416 nan 8.150 nan 0.000 0.444 344 Y N 0.978 121.151 120.300 -0.211 0.000 2.181 344 Y HA -0.178 4.372 4.550 0.000 0.000 0.288 344 Y C 2.284 178.136 175.900 -0.080 0.000 1.146 344 Y CA 2.096 60.131 58.100 -0.108 0.000 1.164 344 Y CB -0.212 38.120 38.460 -0.213 0.000 0.982 344 Y HN 0.326 nan 8.280 nan 0.000 0.515 345 N N 0.246 118.849 118.700 -0.162 0.000 2.331 345 N HA -0.112 4.629 4.740 0.000 0.000 0.180 345 N C 1.875 177.298 175.510 -0.145 0.000 1.019 345 N CA 1.366 54.299 53.050 -0.195 0.000 0.881 345 N CB -0.070 38.228 38.487 -0.316 0.000 0.972 345 N HN 0.428 nan 8.380 nan 0.000 0.435 346 I N 1.848 122.348 120.570 -0.117 0.000 2.113 346 I HA -0.302 3.869 4.170 0.000 0.000 0.238 346 I C 2.385 178.486 176.117 -0.027 0.000 1.070 346 I CA 1.211 62.479 61.300 -0.054 0.000 1.332 346 I CB -0.211 37.772 38.000 -0.029 0.000 1.044 346 I HN 0.114 nan 8.210 nan 0.000 0.402 347 Q N 0.003 119.786 119.800 -0.028 0.000 2.077 347 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 347 Q C 2.358 178.346 176.000 -0.021 0.000 0.989 347 Q CA 1.869 57.676 55.803 0.008 0.000 0.853 347 Q CB -0.439 28.311 28.738 0.020 0.000 0.907 347 Q HN 0.374 nan 8.270 nan 0.000 0.418 348 V N 1.369 121.203 119.914 -0.133 0.000 2.287 348 V HA -0.284 3.836 4.120 0.000 0.000 0.248 348 V C 2.476 178.522 176.094 -0.079 0.000 1.053 348 V CA 2.131 64.349 62.300 -0.137 0.000 1.027 348 V CB -0.816 30.872 31.823 -0.225 0.000 0.646 348 V HN 0.504 nan 8.190 nan 0.000 0.447 349 S N 0.550 116.211 115.700 -0.065 0.000 2.428 349 S HA -0.052 4.418 4.470 0.000 0.000 0.230 349 S C 2.085 176.669 174.600 -0.027 0.000 1.014 349 S CA 1.112 59.286 58.200 -0.043 0.000 0.957 349 S CB -0.744 62.437 63.200 -0.032 0.000 0.784 349 S HN 0.548 nan 8.310 nan 0.000 0.499 350 G N 1.813 110.623 108.800 0.016 0.000 2.418 350 G HA2 -0.065 3.895 3.960 0.000 0.000 0.217 350 G HA3 -0.065 3.895 3.960 0.000 0.000 0.217 350 G C 1.377 176.238 174.900 -0.065 0.000 1.158 350 G CA 0.794 45.947 45.100 0.089 0.000 0.771 350 G HN 0.458 nan 8.290 nan 0.000 0.545 351 L N -0.211 120.967 121.223 -0.076 0.000 2.095 351 L HA 0.068 4.408 4.340 0.000 0.000 0.204 351 L C 2.846 179.581 176.870 -0.224 0.000 1.080 351 L CA 1.198 55.891 54.840 -0.245 0.000 0.759 351 L CB -0.309 41.711 42.059 -0.065 0.000 0.914 351 L HN 0.309 nan 8.230 nan 0.000 0.439 352 E N -0.432 119.696 120.200 -0.119 0.000 2.070 352 E HA -0.352 3.998 4.350 0.000 0.000 0.197 352 E C 1.981 178.523 176.600 -0.097 0.000 1.004 352 E CA 1.798 58.154 56.400 -0.074 0.000 0.805 352 E CB -0.059 29.611 29.700 -0.051 0.000 0.744 352 E HN 0.377 nan 8.360 nan 0.000 0.451 353 Q N 1.148 120.877 119.800 -0.119 0.000 2.030 353 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 353 Q C 2.039 177.929 176.000 -0.183 0.000 0.986 353 Q CA 1.862 57.592 55.803 -0.122 0.000 0.843 353 Q CB -0.240 28.446 28.738 -0.086 0.000 0.904 353 Q HN -0.031 nan 8.270 nan 0.000 0.420 354 R N 0.002 120.326 120.500 -0.293 0.000 2.096 354 R HA -0.100 4.240 4.340 0.000 0.000 0.240 354 R C 2.237 178.385 176.300 -0.254 0.000 1.139 354 R CA 2.002 57.894 56.100 -0.348 0.000 0.952 354 R CB -0.945 28.928 30.300 -0.713 0.000 0.854 354 R HN 0.490 nan 8.270 nan 0.000 0.436 355 L N -0.291 120.799 121.223 -0.221 0.000 2.056 355 L HA -0.124 4.216 4.340 0.000 0.000 0.207 355 L C 2.640 179.337 176.870 -0.288 0.000 1.078 355 L CA 1.588 56.339 54.840 -0.148 0.000 0.749 355 L CB -0.406 41.652 42.059 -0.001 0.000 0.901 355 L HN 0.192 nan 8.230 nan 0.000 0.433 356 R N 0.085 120.401 120.500 -0.307 0.000 2.080 356 R HA -0.168 4.172 4.340 0.000 0.000 0.236 356 R C 2.431 178.486 176.300 -0.408 0.000 1.137 356 R CA 1.482 57.273 56.100 -0.514 0.000 0.943 356 R CB -0.664 29.484 30.300 -0.252 0.000 0.846 356 R HN 0.350 nan 8.270 nan 0.000 0.431 357 A N 1.120 123.790 122.820 -0.250 0.000 1.986 357 A HA -0.125 4.195 4.320 0.000 0.000 0.220 357 A C 1.901 179.378 177.584 -0.179 0.000 1.171 357 A CA 1.264 53.193 52.037 -0.181 0.000 0.640 357 A CB -0.397 18.525 19.000 -0.130 0.000 0.811 357 A HN 0.222 nan 8.150 nan 0.000 0.451 358 L N -0.996 120.105 121.223 -0.203 0.000 2.653 358 L HA 0.098 4.438 4.340 0.000 0.000 0.231 358 L C 0.433 177.195 176.870 -0.181 0.000 1.153 358 L CA 0.348 55.091 54.840 -0.161 0.000 0.933 358 L CB -0.334 41.644 42.059 -0.136 0.000 1.175 358 L HN 0.452 nan 8.230 nan 0.000 0.473 359 D N 0.571 120.796 120.400 -0.291 0.000 2.723 359 D HA -0.309 4.331 4.640 0.000 0.000 0.236 359 D C -0.708 175.486 176.300 -0.177 0.000 1.138 359 D CA 0.509 54.321 54.000 -0.314 0.000 0.676 359 D CB -1.081 39.636 40.800 -0.137 0.000 1.069 359 D HN 0.328 nan 8.370 nan 0.000 0.430 360 Y N -4.407 115.858 120.300 -0.057 0.000 3.016 360 Y HA -0.194 4.356 4.550 0.000 0.000 0.152 360 Y C -1.590 174.277 175.900 -0.054 0.000 1.832 360 Y CA 0.012 58.079 58.100 -0.056 0.000 0.998 360 Y CB -2.326 36.108 38.460 -0.045 0.000 1.507 360 Y HN 0.198 nan 8.280 nan 0.000 0.378 361 P HA 0.135 nan 4.420 nan 0.000 0.274 361 P C 0.151 177.462 177.300 0.017 0.000 1.256 361 P CA -0.370 62.731 63.100 0.003 0.000 0.795 361 P CB 0.955 32.619 31.700 -0.059 0.000 1.038 362 K N 0.032 120.435 120.400 0.004 0.000 2.319 362 K HA 0.219 4.539 4.320 0.000 0.000 0.265 362 K C -0.265 176.338 176.600 0.004 0.000 1.000 362 K CA -0.354 55.940 56.287 0.011 0.000 0.943 362 K CB 0.212 32.725 32.500 0.022 0.000 0.950 362 K HN 0.207 nan 8.250 nan 0.000 0.485 363 V N 2.877 122.802 119.914 0.017 0.000 2.370 363 V HA 0.151 4.271 4.120 0.000 0.000 0.283 363 V C -0.082 176.042 176.094 0.051 0.000 1.023 363 V CA -0.844 61.469 62.300 0.021 0.000 0.857 363 V CB 1.593 33.429 31.823 0.022 0.000 0.985 363 V HN 0.385 nan 8.190 nan 0.000 0.443 364 V N 6.956 126.907 119.914 0.062 0.000 2.394 364 V HA 0.565 4.685 4.120 0.000 0.000 0.282 364 V C -0.226 175.941 176.094 0.122 0.000 1.031 364 V CA -0.443 61.938 62.300 0.136 0.000 0.881 364 V CB 1.637 33.523 31.823 0.105 0.000 0.982 364 V HN 0.765 nan 8.190 nan 0.000 0.451 365 I N 3.354 124.032 120.570 0.180 0.000 2.571 365 I HA 0.694 4.864 4.170 0.000 0.000 0.289 365 I C 0.429 176.648 176.117 0.171 0.000 1.115 365 I CA -0.391 60.989 61.300 0.132 0.000 1.045 365 I CB 1.668 39.720 38.000 0.087 0.000 1.238 365 I HN 0.718 nan 8.210 nan 0.000 0.424 366 G N 7.011 115.893 108.800 0.137 0.000 2.364 366 G HA2 0.485 4.445 3.960 0.000 0.000 0.267 366 G HA3 0.485 4.445 3.960 0.000 0.000 0.267 366 G C -0.545 174.424 174.900 0.115 0.000 1.233 366 G CA -0.282 44.898 45.100 0.134 0.000 0.885 366 G HN 0.667 nan 8.290 nan 0.000 0.490 367 V N 1.187 121.179 119.914 0.130 0.000 2.409 367 V HA 0.627 4.747 4.120 0.000 0.000 0.291 367 V C 0.595 176.764 176.094 0.124 0.000 1.020 367 V CA -0.116 62.258 62.300 0.124 0.000 0.848 367 V CB 1.215 33.129 31.823 0.152 0.000 0.990 367 V HN 0.783 nan 8.190 nan 0.000 0.430 368 S N 2.092 117.848 115.700 0.093 0.000 2.523 368 S HA 0.450 4.920 4.470 0.000 0.000 0.217 368 S C 1.560 176.200 174.600 0.067 0.000 0.996 368 S CA 0.578 58.828 58.200 0.083 0.000 0.921 368 S CB 0.509 63.752 63.200 0.072 0.000 0.829 368 S HN 2.481 nan 8.310 nan 0.000 0.495 369 G N 0.598 109.432 108.800 0.056 0.000 2.157 369 G HA2 -0.098 3.862 3.960 0.000 0.000 0.248 369 G HA3 -0.098 3.862 3.960 0.000 0.000 0.248 369 G C 0.422 175.339 174.900 0.028 0.000 0.979 369 G CA -0.180 44.939 45.100 0.032 0.000 0.650 369 G HN 1.057 nan 8.290 nan 0.000 0.529 370 G N -0.882 107.941 108.800 0.039 0.000 2.562 370 G HA2 0.589 4.549 3.960 0.000 0.000 0.275 370 G HA3 0.589 4.549 3.960 0.000 0.000 0.275 370 G C 1.251 176.168 174.900 0.029 0.000 1.196 370 G CA -0.255 44.866 45.100 0.034 0.000 0.908 370 G HN 0.421 nan 8.290 nan 0.000 0.524 371 L N -0.156 121.077 121.223 0.016 0.000 2.046 371 L HA -0.087 4.253 4.340 0.000 0.000 0.208 371 L C 2.403 179.299 176.870 0.043 0.000 1.077 371 L CA 1.184 56.031 54.840 0.012 0.000 0.747 371 L CB -0.257 41.788 42.059 -0.024 0.000 0.896 371 L HN 0.406 nan 8.230 nan 0.000 0.432 372 D N -0.243 120.177 120.400 0.032 0.000 2.078 372 D HA -0.157 4.483 4.640 0.000 0.000 0.193 372 D C 2.431 178.783 176.300 0.087 0.000 0.990 372 D CA 1.868 55.899 54.000 0.051 0.000 0.827 372 D CB -0.234 40.580 40.800 0.023 0.000 0.975 372 D HN 0.312 nan 8.370 nan 0.000 0.451 373 S N -0.565 115.176 115.700 0.068 0.000 2.402 373 S HA -0.108 4.362 4.470 0.000 0.000 0.229 373 S C 2.038 176.673 174.600 0.059 0.000 1.021 373 S CA 1.315 59.555 58.200 0.067 0.000 0.974 373 S CB -0.713 62.527 63.200 0.067 0.000 0.800 373 S HN 0.116 nan 8.310 nan 0.000 0.484 374 T N 1.785 116.374 114.554 0.058 0.000 2.622 374 T HA -0.193 4.157 4.350 0.000 0.000 0.266 374 T C 1.760 176.489 174.700 0.048 0.000 1.047 374 T CA 1.719 63.843 62.100 0.039 0.000 1.159 374 T CB -0.774 68.117 68.868 0.038 0.000 0.863 374 T HN 0.645 nan 8.240 nan 0.000 0.422 375 H N 1.152 120.233 119.070 0.018 0.000 2.357 375 H HA 0.030 4.586 4.556 0.000 0.000 0.301 375 H C 2.417 177.784 175.328 0.065 0.000 1.082 375 H CA 1.479 57.556 56.048 0.048 0.000 1.342 375 H CB -0.312 29.484 29.762 0.056 0.000 1.389 375 H HN 0.341 nan 8.280 nan 0.000 0.511 376 A N 1.719 124.559 122.820 0.032 0.000 1.948 376 A HA -0.169 4.151 4.320 0.000 0.000 0.220 376 A C 2.746 180.305 177.584 -0.043 0.000 1.177 376 A CA 1.482 53.516 52.037 -0.004 0.000 0.636 376 A CB -0.979 18.055 19.000 0.057 0.000 0.815 376 A HN 0.514 nan 8.150 nan 0.000 0.449 377 L N -0.565 120.636 121.223 -0.038 0.000 2.044 377 L HA -0.133 4.207 4.340 0.000 0.000 0.205 377 L C 2.325 179.144 176.870 -0.085 0.000 1.075 377 L CA 1.017 55.832 54.840 -0.042 0.000 0.747 377 L CB -0.295 41.742 42.059 -0.037 0.000 0.903 377 L HN 0.297 nan 8.230 nan 0.000 0.435 378 I N -0.407 120.073 120.570 -0.150 0.000 2.151 378 I HA -0.302 3.868 4.170 0.000 0.000 0.243 378 I C 2.639 178.779 176.117 0.039 0.000 1.080 378 I CA 1.372 62.564 61.300 -0.181 0.000 1.339 378 I CB -1.344 36.552 38.000 -0.174 0.000 1.039 378 I HN 0.111 nan 8.210 nan 0.000 0.409 379 V N 1.277 121.154 119.914 -0.062 0.000 2.295 379 V HA -0.281 3.839 4.120 0.000 0.000 0.246 379 V C 2.838 178.944 176.094 0.020 0.000 1.049 379 V CA 1.896 64.162 62.300 -0.057 0.000 1.024 379 V CB -1.171 30.561 31.823 -0.152 0.000 0.648 379 V HN 0.489 nan 8.190 nan 0.000 0.447 380 A N -0.195 122.633 122.820 0.013 0.000 1.917 380 A HA -0.267 4.054 4.320 0.000 0.000 0.219 380 A C 2.394 180.014 177.584 0.061 0.000 1.182 380 A CA 2.750 54.804 52.037 0.029 0.000 0.633 380 A CB -1.040 17.973 19.000 0.022 0.000 0.819 380 A HN 0.541 nan 8.150 nan 0.000 0.448 381 T N -1.468 113.144 114.554 0.097 0.000 2.701 381 T HA -0.150 4.200 4.350 0.000 0.000 0.263 381 T C 1.936 176.806 174.700 0.283 0.000 1.040 381 T CA 1.789 63.990 62.100 0.168 0.000 1.147 381 T CB -0.488 68.465 68.868 0.142 0.000 0.865 381 T HN 0.735 nan 8.240 nan 0.000 0.426 382 H N 1.616 120.862 119.070 0.294 0.000 2.387 382 H HA 0.111 4.668 4.556 0.000 0.000 0.299 382 H C 2.217 177.589 175.328 0.073 0.000 1.090 382 H CA 1.402 57.592 56.048 0.236 0.000 1.332 382 H CB -0.638 29.307 29.762 0.305 0.000 1.386 382 H HN 0.314 nan 8.280 nan 0.000 0.516 383 A N 0.573 123.393 122.820 0.001 0.000 1.908 383 A HA -0.203 4.117 4.320 0.000 0.000 0.218 383 A C 2.370 179.906 177.584 -0.079 0.000 1.181 383 A CA 1.992 53.977 52.037 -0.085 0.000 0.627 383 A CB -0.495 18.480 19.000 -0.041 0.000 0.818 383 A HN 0.430 nan 8.150 nan 0.000 0.445 384 M N -0.491 119.091 119.600 -0.029 0.000 2.200 384 M HA -0.088 4.392 4.480 0.000 0.000 0.265 384 M C 1.497 177.755 176.300 -0.070 0.000 1.066 384 M CA 1.265 56.539 55.300 -0.044 0.000 1.127 384 M CB -1.354 31.238 32.600 -0.013 0.000 1.379 384 M HN 0.344 nan 8.290 nan 0.000 0.420 385 D N 0.416 120.791 120.400 -0.042 0.000 2.087 385 D HA -0.142 4.498 4.640 0.000 0.000 0.192 385 D C 2.120 178.353 176.300 -0.112 0.000 0.993 385 D CA 1.241 55.211 54.000 -0.050 0.000 0.828 385 D CB -0.331 40.473 40.800 0.005 0.000 0.968 385 D HN 0.311 nan 8.370 nan 0.000 0.448 386 R N 0.411 120.793 120.500 -0.196 0.000 2.159 386 R HA -0.094 4.246 4.340 0.000 0.000 0.237 386 R C 1.495 177.724 176.300 -0.118 0.000 1.131 386 R CA 0.792 56.777 56.100 -0.192 0.000 0.982 386 R CB 0.022 30.146 30.300 -0.292 0.000 0.868 386 R HN 0.203 nan 8.270 nan 0.000 0.453 387 E N -0.665 119.466 120.200 -0.116 0.000 2.479 387 E HA 0.055 4.405 4.350 0.000 0.000 0.193 387 E C 0.756 177.232 176.600 -0.207 0.000 1.049 387 E CA 0.427 56.757 56.400 -0.116 0.000 0.870 387 E CB 0.737 30.395 29.700 -0.070 0.000 0.944 387 E HN 0.478 nan 8.360 nan 0.000 0.492 388 G N 2.346 111.049 108.800 -0.162 0.000 2.225 388 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 388 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 388 G C 0.019 174.797 174.900 -0.203 0.000 1.060 388 G CA -0.014 44.993 45.100 -0.156 0.000 0.833 388 G HN -0.002 nan 8.290 nan 0.000 0.498 389 R N -0.273 120.107 120.500 -0.200 0.000 2.514 389 R HA 0.442 4.782 4.340 0.000 0.000 0.301 389 R C -2.700 173.538 176.300 -0.103 0.000 0.962 389 R CA -2.064 53.916 56.100 -0.201 0.000 0.882 389 R CB 1.438 31.592 30.300 -0.243 0.000 1.143 389 R HN 0.051 nan 8.270 nan 0.000 0.452 390 P HA 0.170 nan 4.420 nan 0.000 0.266 390 P C 0.397 177.682 177.300 -0.025 0.000 1.215 390 P CA -0.066 63.008 63.100 -0.043 0.000 0.763 390 P CB 0.532 32.209 31.700 -0.038 0.000 0.806 391 R N 1.751 122.247 120.500 -0.007 0.000 2.200 391 R HA -0.123 4.217 4.340 0.000 0.000 0.234 391 R C 1.781 178.081 176.300 -0.000 0.000 1.127 391 R CA 1.762 57.867 56.100 0.009 0.000 0.989 391 R CB -0.461 29.857 30.300 0.030 0.000 0.869 391 R HN 0.572 nan 8.270 nan 0.000 0.459 392 S N 0.223 115.919 115.700 -0.007 0.000 2.555 392 S HA -0.067 4.403 4.470 0.000 0.000 0.230 392 S C 0.945 175.536 174.600 -0.015 0.000 0.978 392 S CA 0.826 59.019 58.200 -0.012 0.000 0.934 392 S CB 0.132 63.325 63.200 -0.012 0.000 0.766 392 S HN 0.156 nan 8.310 nan 0.000 0.533 393 D N 1.319 121.712 120.400 -0.013 0.000 2.355 393 D HA 0.246 4.886 4.640 0.000 0.000 0.218 393 D C 0.176 176.475 176.300 -0.001 0.000 1.004 393 D CA 0.124 54.120 54.000 -0.007 0.000 0.880 393 D CB -0.091 40.704 40.800 -0.009 0.000 0.911 393 D HN 0.488 nan 8.370 nan 0.000 0.528 394 I N 1.714 122.281 120.570 -0.005 0.000 2.379 394 I HA 0.069 4.239 4.170 0.000 0.000 0.290 394 I C 0.030 176.129 176.117 -0.031 0.000 1.063 394 I CA -0.174 61.124 61.300 -0.002 0.000 1.351 394 I CB 0.745 38.747 38.000 0.003 0.000 1.410 394 I HN -0.321 nan 8.210 nan 0.000 0.505 395 L N 7.447 128.655 121.223 -0.025 0.000 2.287 395 L HA 0.544 4.884 4.340 0.000 0.000 0.280 395 L C 0.365 177.110 176.870 -0.208 0.000 1.055 395 L CA -0.417 54.341 54.840 -0.136 0.000 0.863 395 L CB 0.844 42.916 42.059 0.021 0.000 1.245 395 L HN 0.635 nan 8.230 nan 0.000 0.432 396 A N 3.769 126.402 122.820 -0.312 0.000 2.301 396 A HA 0.779 5.099 4.320 0.000 0.000 0.298 396 A C -0.918 176.323 177.584 -0.573 0.000 1.185 396 A CA -0.157 51.763 52.037 -0.196 0.000 0.830 396 A CB 0.245 19.267 19.000 0.036 0.000 1.112 396 A HN 0.504 nan 8.150 nan 0.000 0.508 397 F N 1.376 121.238 119.950 -0.147 0.000 2.507 397 F HA 0.581 5.108 4.527 0.000 0.000 0.325 397 F C 0.633 176.321 175.800 -0.187 0.000 1.116 397 F CA -0.367 57.464 58.000 -0.282 0.000 0.930 397 F CB 2.193 41.088 39.000 -0.176 0.000 1.146 397 F HN 0.686 nan 8.300 nan 0.000 0.447 398 A N 4.456 127.192 122.820 -0.141 0.000 2.301 398 A HA 0.768 5.088 4.320 0.000 0.000 0.298 398 A C -0.779 176.821 177.584 0.027 0.000 1.185 398 A CA -0.433 51.637 52.037 0.055 0.000 0.830 398 A CB 0.223 19.352 19.000 0.215 0.000 1.112 398 A HN 0.835 nan 8.150 nan 0.000 0.508 399 L N 4.659 125.906 121.223 0.041 0.000 2.495 399 L HA 0.320 4.660 4.340 0.000 0.000 0.248 399 L C -2.476 174.396 176.870 0.003 0.000 1.229 399 L CA -1.487 53.350 54.840 -0.005 0.000 0.942 399 L CB 1.314 43.368 42.059 -0.008 0.000 1.242 399 L HN 0.434 nan 8.230 nan 0.000 0.484 400 P HA 0.375 nan 4.420 nan 0.000 0.277 400 P C 0.078 177.377 177.300 -0.001 0.000 1.240 400 P CA -0.156 62.952 63.100 0.012 0.000 0.798 400 P CB 1.456 33.168 31.700 0.019 0.000 0.979 408 T N 0.363 114.927 114.554 0.016 0.000 2.737 408 T HA -0.161 4.189 4.350 0.000 0.000 0.269 408 T C 1.974 176.683 174.700 0.016 0.000 1.040 408 T CA 2.675 64.785 62.100 0.016 0.000 1.142 408 T CB -0.880 68.004 68.868 0.026 0.000 0.861 408 T HN 0.626 nan 8.240 nan 0.000 0.456 409 K N 1.242 121.657 120.400 0.025 0.000 2.059 409 K HA -0.154 4.166 4.320 0.000 0.000 0.212 409 K C 2.747 179.350 176.600 0.006 0.000 1.050 409 K CA 1.738 58.047 56.287 0.035 0.000 0.927 409 K CB -0.901 31.627 32.500 0.047 0.000 0.714 409 K HN 0.616 nan 8.250 nan 0.000 0.447 410 N N 1.633 120.325 118.700 -0.013 0.000 2.137 410 N HA -0.255 4.485 4.740 0.000 0.000 0.190 410 N C 1.685 177.152 175.510 -0.072 0.000 1.017 410 N CA 2.047 55.070 53.050 -0.045 0.000 0.859 410 N CB -1.032 37.434 38.487 -0.035 0.000 1.002 410 N HN 0.416 nan 8.380 nan 0.000 0.428 411 N N 0.020 118.690 118.700 -0.049 0.000 2.104 411 N HA -0.043 4.697 4.740 0.000 0.000 0.190 411 N C 2.297 177.758 175.510 -0.081 0.000 1.024 411 N CA 1.472 54.487 53.050 -0.058 0.000 0.853 411 N CB -0.176 38.291 38.487 -0.034 0.000 1.008 411 N HN 0.639 nan 8.380 nan 0.000 0.424 412 A N 1.175 123.961 122.820 -0.057 0.000 1.873 412 A HA -0.207 4.113 4.320 0.000 0.000 0.218 412 A C 2.214 179.661 177.584 -0.229 0.000 1.193 412 A CA 1.463 53.469 52.037 -0.051 0.000 0.629 412 A CB -0.879 18.163 19.000 0.069 0.000 0.826 412 A HN 0.448 nan 8.150 nan 0.000 0.447 413 I N -0.972 119.349 120.570 -0.414 0.000 2.315 413 I HA -0.231 3.939 4.170 0.000 0.000 0.248 413 I C 2.244 178.068 176.117 -0.489 0.000 1.117 413 I CA 1.785 62.573 61.300 -0.853 0.000 1.404 413 I CB -0.159 37.344 38.000 -0.828 0.000 1.071 413 I HN 0.269 nan 8.210 nan 0.000 0.419 414 K N 0.220 120.453 120.400 -0.278 0.000 2.002 414 K HA -0.212 4.108 4.320 0.000 0.000 0.209 414 K C 2.064 178.567 176.600 -0.162 0.000 1.048 414 K CA 1.725 57.901 56.287 -0.184 0.000 0.930 414 K CB -0.438 31.988 32.500 -0.123 0.000 0.714 414 K HN 0.258 nan 8.250 nan 0.000 0.438 415 L N 1.241 122.375 121.223 -0.149 0.000 2.046 415 L HA -0.138 4.202 4.340 0.000 0.000 0.208 415 L C 2.221 179.017 176.870 -0.122 0.000 1.077 415 L CA 1.839 56.606 54.840 -0.122 0.000 0.747 415 L CB -0.753 41.246 42.059 -0.101 0.000 0.896 415 L HN 0.155 nan 8.230 nan 0.000 0.432 416 A N -0.871 121.863 122.820 -0.144 0.000 1.883 416 A HA -0.232 4.088 4.320 0.000 0.000 0.217 416 A C 2.535 180.063 177.584 -0.093 0.000 1.186 416 A CA 2.035 54.015 52.037 -0.095 0.000 0.624 416 A CB -0.742 18.214 19.000 -0.073 0.000 0.822 416 A HN 0.378 nan 8.150 nan 0.000 0.444 417 R N -1.137 119.274 120.500 -0.147 0.000 2.075 417 R HA 0.055 4.395 4.340 0.000 0.000 0.232 417 R C 2.668 178.926 176.300 -0.070 0.000 1.126 417 R CA 1.358 57.396 56.100 -0.104 0.000 0.963 417 R CB -1.573 28.646 30.300 -0.134 0.000 0.858 417 R HN 0.772 nan 8.270 nan 0.000 0.435 418 A N 0.496 123.269 122.820 -0.078 0.000 1.902 418 A HA -0.053 4.267 4.320 0.000 0.000 0.217 418 A C 2.126 179.692 177.584 -0.031 0.000 1.181 418 A CA 1.351 53.357 52.037 -0.052 0.000 0.623 418 A CB -0.416 18.548 19.000 -0.061 0.000 0.818 418 A HN 0.285 nan 8.150 nan 0.000 0.443 419 L N -1.224 119.971 121.223 -0.047 0.000 2.156 419 L HA 0.127 4.467 4.340 0.000 0.000 0.208 419 L C 1.777 178.652 176.870 0.008 0.000 1.095 419 L CA 1.571 56.397 54.840 -0.023 0.000 0.770 419 L CB -1.415 40.603 42.059 -0.068 0.000 0.914 419 L HN 0.783 nan 8.230 nan 0.000 0.439 420 G N -0.340 108.455 108.800 -0.009 0.000 2.248 420 G HA2 -0.171 3.789 3.960 0.000 0.000 0.252 420 G HA3 -0.171 3.789 3.960 0.000 0.000 0.252 420 G C 0.344 175.245 174.900 0.003 0.000 1.085 420 G CA 0.350 45.450 45.100 -0.001 0.000 0.845 420 G HN 0.439 nan 8.290 nan 0.000 0.494 421 V N -3.050 116.864 119.914 -0.000 0.000 3.610 421 V HA 0.899 5.019 4.120 0.000 0.000 0.285 421 V C 0.852 176.946 176.094 -0.001 0.000 1.012 421 V CA 0.033 62.333 62.300 -0.000 0.000 0.975 421 V CB 1.015 32.838 31.823 -0.000 0.000 1.247 421 V HN 0.418 nan 8.190 nan 0.000 0.424 422 T N 2.239 116.775 114.554 -0.030 0.000 2.738 422 T HA 0.485 4.835 4.350 0.000 0.000 0.298 422 T C -0.824 173.812 174.700 -0.107 0.000 0.962 422 T CA 0.309 62.373 62.100 -0.061 0.000 0.972 422 T CB -0.054 68.758 68.868 -0.093 0.000 0.928 422 T HN 0.566 nan 8.240 nan 0.000 0.474 423 F N 2.572 122.403 119.950 -0.198 0.000 2.422 423 F HA 0.695 5.223 4.527 0.000 0.000 0.333 423 F C 0.255 175.901 175.800 -0.257 0.000 1.095 423 F CA -0.282 57.577 58.000 -0.235 0.000 1.038 423 F CB 1.396 40.312 39.000 -0.140 0.000 1.156 423 F HN 0.468 nan 8.300 nan 0.000 0.483 424 S N 3.190 118.149 115.700 -1.236 0.000 2.570 424 S HA 0.345 4.815 4.470 0.000 0.000 0.270 424 S C -1.786 172.334 174.600 -0.800 0.000 1.149 424 S CA -0.728 57.004 58.200 -0.781 0.000 0.837 424 S CB 1.513 64.374 63.200 -0.564 0.000 1.124 424 S HN 0.769 nan 8.310 nan 0.000 0.465 425 E N 2.131 122.145 120.200 -0.311 0.000 2.224 425 E HA 0.594 4.944 4.350 0.000 0.000 0.265 425 E C -1.651 174.919 176.600 -0.050 0.000 0.878 425 E CA -0.515 55.792 56.400 -0.155 0.000 0.759 425 E CB 1.067 30.735 29.700 -0.053 0.000 1.164 425 E HN 0.496 nan 8.360 nan 0.000 0.414 426 I N 3.793 124.328 120.570 -0.058 0.000 2.389 426 I HA 0.150 4.320 4.170 0.000 0.000 0.288 426 I C -0.448 175.560 176.117 -0.182 0.000 0.999 426 I CA -0.432 60.771 61.300 -0.162 0.000 1.129 426 I CB 1.634 39.447 38.000 -0.312 0.000 1.288 426 I HN 0.476 nan 8.210 nan 0.000 0.444 427 D N 6.931 127.236 120.400 -0.159 0.000 2.316 427 D HA 0.183 4.823 4.640 0.000 0.000 0.245 427 D C 0.930 177.127 176.300 -0.173 0.000 1.171 427 D CA -0.161 53.768 54.000 -0.118 0.000 0.856 427 D CB 1.142 41.904 40.800 -0.063 0.000 1.090 427 D HN 0.568 nan 8.370 nan 0.000 0.476 428 I N 1.309 121.793 120.570 -0.143 0.000 3.793 428 I HA 0.266 4.436 4.170 0.000 0.000 0.315 428 I C 1.851 177.969 176.117 0.001 0.000 1.275 428 I CA -0.234 61.007 61.300 -0.100 0.000 1.214 428 I CB 0.322 38.300 38.000 -0.036 0.000 1.018 428 I HN 0.323 nan 8.210 nan 0.000 0.439 429 G N 1.556 110.350 108.800 -0.009 0.000 2.469 429 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 429 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 429 G C 1.207 176.121 174.900 0.024 0.000 1.150 429 G CA 1.370 46.476 45.100 0.010 0.000 0.763 429 G HN 0.385 nan 8.290 nan 0.000 0.561 430 D N -0.108 120.306 120.400 0.022 0.000 2.149 430 D HA -0.023 4.617 4.640 0.000 0.000 0.201 430 D C 2.835 179.166 176.300 0.052 0.000 0.972 430 D CA 1.317 55.335 54.000 0.031 0.000 0.835 430 D CB -0.471 40.342 40.800 0.022 0.000 0.966 430 D HN 0.255 nan 8.370 nan 0.000 0.476 431 T N 0.687 115.292 114.554 0.085 0.000 2.777 431 T HA -0.099 4.251 4.350 0.000 0.000 0.266 431 T C 2.067 176.818 174.700 0.084 0.000 1.040 431 T CA 1.396 63.565 62.100 0.115 0.000 1.141 431 T CB -0.324 68.692 68.868 0.247 0.000 0.868 431 T HN 0.161 nan 8.240 nan 0.000 0.444 432 A N 2.132 125.000 122.820 0.080 0.000 1.892 432 A HA -0.206 4.114 4.320 0.000 0.000 0.218 432 A C 2.423 180.036 177.584 0.047 0.000 1.188 432 A CA 1.732 53.802 52.037 0.054 0.000 0.631 432 A CB -0.577 18.448 19.000 0.041 0.000 0.822 432 A HN 0.436 nan 8.150 nan 0.000 0.447 433 R N -1.360 119.168 120.500 0.047 0.000 2.075 433 R HA -0.076 4.264 4.340 0.000 0.000 0.232 433 R C 2.154 178.498 176.300 0.074 0.000 1.126 433 R CA 1.297 57.430 56.100 0.055 0.000 0.963 433 R CB -0.587 29.739 30.300 0.044 0.000 0.858 433 R HN 0.484 nan 8.270 nan 0.000 0.435 434 L N 1.112 122.369 121.223 0.056 0.000 2.012 434 L HA -0.177 4.163 4.340 0.000 0.000 0.210 434 L C 2.290 179.205 176.870 0.075 0.000 1.073 434 L CA 1.751 56.622 54.840 0.052 0.000 0.748 434 L CB -0.514 41.565 42.059 0.032 0.000 0.891 434 L HN 0.165 nan 8.230 nan 0.000 0.431 435 M N -1.472 118.164 119.600 0.059 0.000 2.080 435 M HA -0.253 4.228 4.480 0.000 0.000 0.260 435 M C 2.174 178.515 176.300 0.069 0.000 1.068 435 M CA 1.981 57.312 55.300 0.051 0.000 1.109 435 M CB -0.169 32.450 32.600 0.031 0.000 1.342 435 M HN 0.349 nan 8.290 nan 0.000 0.405 436 L N -1.142 120.126 121.223 0.075 0.000 2.046 436 L HA -0.264 4.076 4.340 0.000 0.000 0.208 436 L C 2.812 179.751 176.870 0.116 0.000 1.077 436 L CA 1.265 56.154 54.840 0.083 0.000 0.747 436 L CB -1.024 41.069 42.059 0.056 0.000 0.896 436 L HN 0.478 nan 8.230 nan 0.000 0.432 437 H N -0.180 118.918 119.070 0.046 0.000 2.389 437 H HA -0.109 4.448 4.556 0.000 0.000 0.299 437 H C 1.978 177.325 175.328 0.032 0.000 1.081 437 H CA 1.853 57.926 56.048 0.042 0.000 1.345 437 H CB 0.217 29.997 29.762 0.031 0.000 1.393 437 H HN 0.267 nan 8.280 nan 0.000 0.520 438 T N 0.798 115.472 114.554 0.200 0.000 2.867 438 T HA -0.084 4.266 4.350 0.000 0.000 0.268 438 T C 2.012 176.743 174.700 0.051 0.000 1.057 438 T CA 0.959 63.138 62.100 0.132 0.000 1.136 438 T CB -0.098 68.824 68.868 0.090 0.000 0.874 438 T HN 0.127 nan 8.240 nan 0.000 0.466 439 I N 0.710 121.306 120.570 0.042 0.000 3.111 439 I HA 0.205 4.375 4.170 0.000 0.000 0.272 439 I C 1.748 177.865 176.117 -0.000 0.000 1.268 439 I CA 0.337 61.653 61.300 0.027 0.000 1.467 439 I CB -0.620 37.410 38.000 0.049 0.000 1.087 439 I HN 0.466 nan 8.210 nan 0.000 0.467 440 G N -0.027 108.747 108.800 -0.043 0.000 2.165 440 G HA2 -0.242 3.718 3.960 0.000 0.000 0.226 440 G HA3 -0.242 3.718 3.960 0.000 0.000 0.226 440 G C 0.382 175.232 174.900 -0.083 0.000 1.035 440 G CA 0.100 45.139 45.100 -0.101 0.000 0.744 440 G HN 0.403 nan 8.290 nan 0.000 0.501 452 V N 1.090 120.993 119.914 -0.019 0.000 0.565 452 V HA -0.449 3.671 4.120 0.000 0.000 0.092 452 V C 2.187 178.256 176.094 -0.042 0.000 1.978 452 V CA 2.965 65.253 62.300 -0.019 0.000 3.460 452 V CB -2.010 29.816 31.823 0.004 0.000 0.751 452 V HN 0.750 nan 8.190 nan 0.000 0.781 453 T N -0.532 113.981 114.554 -0.068 0.000 2.652 453 T HA -0.222 4.128 4.350 0.000 0.000 0.267 453 T C 1.714 176.333 174.700 -0.134 0.000 1.039 453 T CA 4.216 66.249 62.100 -0.113 0.000 1.153 453 T CB -0.382 68.341 68.868 -0.241 0.000 0.863 453 T HN 1.301 nan 8.240 nan 0.000 0.428 454 F N 1.089 120.935 119.950 -0.174 0.000 2.161 454 F HA -0.001 4.526 4.527 0.000 0.000 0.300 454 F C 2.355 178.121 175.800 -0.057 0.000 1.089 454 F CA 2.122 60.053 58.000 -0.115 0.000 1.282 454 F CB -1.176 37.763 39.000 -0.103 0.000 1.010 454 F HN 0.492 nan 8.300 nan 0.000 0.485 455 E N -0.462 119.709 120.200 -0.048 0.000 2.107 455 E HA -0.152 4.198 4.350 0.000 0.000 0.191 455 E C 1.883 178.465 176.600 -0.030 0.000 0.982 455 E CA 1.189 57.572 56.400 -0.029 0.000 0.809 455 E CB -0.416 29.268 29.700 -0.026 0.000 0.756 455 E HN 0.812 nan 8.360 nan 0.000 0.459 456 N N 0.122 118.801 118.700 -0.035 0.000 2.084 456 N HA -0.156 4.584 4.740 0.000 0.000 0.190 456 N C 1.860 177.359 175.510 -0.018 0.000 1.030 456 N CA 1.224 54.258 53.050 -0.026 0.000 0.849 456 N CB -0.024 38.453 38.487 -0.017 0.000 1.012 456 N HN -0.084 nan 8.380 nan 0.000 0.423 457 V N 1.263 121.166 119.914 -0.019 0.000 2.324 457 V HA -0.294 3.826 4.120 0.000 0.000 0.250 457 V C 2.207 178.305 176.094 0.006 0.000 1.060 457 V CA 1.726 64.022 62.300 -0.008 0.000 1.042 457 V CB -0.618 31.199 31.823 -0.009 0.000 0.650 457 V HN 0.373 nan 8.190 nan 0.000 0.450 458 Q N -0.397 119.406 119.800 0.006 0.000 2.016 458 Q HA -0.152 4.188 4.340 0.000 0.000 0.200 458 Q C 2.480 178.496 176.000 0.026 0.000 0.978 458 Q CA 1.751 57.567 55.803 0.022 0.000 0.833 458 Q CB -0.461 28.286 28.738 0.015 0.000 0.895 458 Q HN 0.660 nan 8.270 nan 0.000 0.427 459 A N 1.005 123.831 122.820 0.010 0.000 1.908 459 A HA -0.169 4.151 4.320 0.000 0.000 0.218 459 A C 2.274 179.863 177.584 0.009 0.000 1.181 459 A CA 1.820 53.862 52.037 0.008 0.000 0.627 459 A CB -1.340 17.652 19.000 -0.013 0.000 0.818 459 A HN 0.509 nan 8.150 nan 0.000 0.445 460 G N -0.404 108.393 108.800 -0.005 0.000 2.421 460 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 460 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 460 G C 1.565 176.463 174.900 -0.003 0.000 1.171 460 G CA 1.066 46.153 45.100 -0.021 0.000 0.775 460 G HN 0.433 nan 8.290 nan 0.000 0.543 461 L N -0.243 120.999 121.223 0.032 0.000 2.141 461 L HA 0.021 4.361 4.340 0.000 0.000 0.209 461 L C 3.173 180.152 176.870 0.181 0.000 1.094 461 L CA 0.574 55.466 54.840 0.086 0.000 0.763 461 L CB -0.215 41.924 42.059 0.133 0.000 0.908 461 L HN 0.155 nan 8.230 nan 0.000 0.437 462 R N -0.722 119.855 120.500 0.128 0.000 2.094 462 R HA -0.177 4.163 4.340 0.000 0.000 0.239 462 R C 2.219 178.595 176.300 0.126 0.000 1.137 462 R CA 2.095 58.265 56.100 0.117 0.000 0.943 462 R CB -0.949 29.393 30.300 0.071 0.000 0.850 462 R HN 0.317 nan 8.270 nan 0.000 0.433 463 T N 0.859 115.475 114.554 0.104 0.000 2.708 463 T HA -0.177 4.173 4.350 0.000 0.000 0.266 463 T C 1.444 176.257 174.700 0.189 0.000 1.037 463 T CA 1.563 63.757 62.100 0.157 0.000 1.146 463 T CB -0.429 68.493 68.868 0.090 0.000 0.865 463 T HN 0.271 nan 8.240 nan 0.000 0.435 464 D N 0.005 120.433 120.400 0.046 0.000 2.106 464 D HA -0.127 4.513 4.640 0.000 0.000 0.191 464 D C 1.931 178.221 176.300 -0.018 0.000 0.997 464 D CA 1.439 55.414 54.000 -0.041 0.000 0.834 464 D CB -0.324 40.384 40.800 -0.153 0.000 0.956 464 D HN 0.416 nan 8.370 nan 0.000 0.448 465 Y N 0.801 121.092 120.300 -0.015 0.000 2.097 465 Y HA -0.154 4.396 4.550 0.000 0.000 0.282 465 Y C 2.620 178.451 175.900 -0.115 0.000 1.152 465 Y CA 1.026 59.080 58.100 -0.076 0.000 1.136 465 Y CB -0.596 37.791 38.460 -0.122 0.000 0.975 465 Y HN -0.000 nan 8.280 nan 0.000 0.498 466 L N -1.783 119.479 121.223 0.066 0.000 1.990 466 L HA -0.298 4.042 4.340 0.000 0.000 0.213 466 L C 2.250 179.120 176.870 0.000 0.000 1.072 466 L CA 1.644 56.459 54.840 -0.040 0.000 0.755 466 L CB -0.886 41.174 42.059 0.002 0.000 0.889 466 L HN 0.148 nan 8.230 nan 0.000 0.432 467 F N -0.145 119.796 119.950 -0.015 0.000 2.134 467 F HA -0.195 4.332 4.527 0.000 0.000 0.299 467 F C 2.739 178.546 175.800 0.011 0.000 1.097 467 F CA 1.147 59.160 58.000 0.022 0.000 1.264 467 F CB -0.164 38.816 39.000 -0.032 0.000 1.001 467 F HN -0.042 nan 8.300 nan 0.000 0.479 468 R N 0.115 120.694 120.500 0.132 0.000 2.090 468 R HA -0.038 4.302 4.340 0.000 0.000 0.228 468 R C 2.239 178.550 176.300 0.019 0.000 1.110 468 R CA 1.033 57.163 56.100 0.049 0.000 0.973 468 R CB -1.165 29.119 30.300 -0.027 0.000 0.869 468 R HN 0.333 nan 8.270 nan 0.000 0.440 469 I N 0.833 121.390 120.570 -0.021 0.000 2.286 469 I HA -0.244 3.926 4.170 0.000 0.000 0.248 469 I C 2.397 178.502 176.117 -0.020 0.000 1.115 469 I CA 1.353 62.615 61.300 -0.063 0.000 1.392 469 I CB -0.338 37.509 38.000 -0.256 0.000 1.065 469 I HN 0.077 nan 8.210 nan 0.000 0.418 470 A N 0.795 123.602 122.820 -0.021 0.000 1.877 470 A HA -0.214 4.106 4.320 0.000 0.000 0.216 470 A C 2.115 179.690 177.584 -0.015 0.000 1.186 470 A CA 1.824 53.843 52.037 -0.030 0.000 0.620 470 A CB -0.674 18.284 19.000 -0.071 0.000 0.822 470 A HN 0.404 nan 8.150 nan 0.000 0.443 471 N N -0.405 118.311 118.700 0.026 0.000 2.104 471 N HA -0.211 4.529 4.740 0.000 0.000 0.190 471 N C 1.947 177.464 175.510 0.013 0.000 1.024 471 N CA 1.719 54.785 53.050 0.028 0.000 0.853 471 N CB -0.409 38.108 38.487 0.050 0.000 1.008 471 N HN 0.776 nan 8.380 nan 0.000 0.424 472 Q N 0.634 120.442 119.800 0.015 0.000 2.083 472 Q HA 0.013 4.353 4.340 0.000 0.000 0.198 472 Q C 1.015 177.026 176.000 0.018 0.000 0.969 472 Q CA 1.107 56.920 55.803 0.016 0.000 0.838 472 Q CB 0.169 28.919 28.738 0.020 0.000 0.900 472 Q HN 0.183 nan 8.270 nan 0.000 0.436 473 R N -1.085 119.428 120.500 0.022 0.000 2.427 473 R HA 0.173 4.513 4.340 0.000 0.000 0.262 473 R C 0.366 176.674 176.300 0.014 0.000 0.943 473 R CA 0.507 56.625 56.100 0.030 0.000 1.081 473 R CB 0.735 31.072 30.300 0.062 0.000 1.166 473 R HN 0.430 nan 8.270 nan 0.000 0.534 474 G N 0.342 109.141 108.800 -0.003 0.000 2.221 474 G HA2 -0.247 3.713 3.960 0.000 0.000 0.265 474 G HA3 -0.247 3.713 3.960 0.000 0.000 0.265 474 G C 0.211 175.089 174.900 -0.036 0.000 1.041 474 G CA 0.103 45.191 45.100 -0.019 0.000 0.807 474 G HN 0.513 nan 8.290 nan 0.000 0.502 475 G N -0.821 107.948 108.800 -0.050 0.000 2.667 475 G HA2 0.909 4.869 3.960 0.000 0.000 0.310 475 G HA3 0.909 4.869 3.960 0.000 0.000 0.310 475 G C -0.071 174.724 174.900 -0.175 0.000 1.259 475 G CA -0.653 44.406 45.100 -0.068 0.000 1.019 475 G HN 1.326 nan 8.290 nan 0.000 0.496 476 I N -2.116 118.349 120.570 -0.175 0.000 2.608 476 I HA 0.643 4.813 4.170 0.000 0.000 0.295 476 I C -0.806 175.268 176.117 -0.072 0.000 1.049 476 I CA -1.222 59.900 61.300 -0.297 0.000 1.063 476 I CB 2.306 40.143 38.000 -0.271 0.000 1.248 476 I HN 0.174 nan 8.210 nan 0.000 0.424 477 V N 6.305 126.263 119.914 0.073 0.000 2.455 477 V HA 0.217 4.337 4.120 0.000 0.000 0.273 477 V C 0.541 176.643 176.094 0.013 0.000 1.045 477 V CA -0.307 61.961 62.300 -0.053 0.000 0.976 477 V CB 0.978 32.553 31.823 -0.415 0.000 0.993 477 V HN 0.529 nan 8.190 nan 0.000 0.475 478 L N 4.753 125.998 121.223 0.037 0.000 2.331 478 L HA 0.455 4.795 4.340 0.000 0.000 0.278 478 L C 1.048 177.948 176.870 0.051 0.000 1.106 478 L CA 0.174 55.057 54.840 0.072 0.000 0.824 478 L CB 1.022 43.127 42.059 0.076 0.000 1.142 478 L HN 0.788 nan 8.230 nan 0.000 0.443 479 G N 1.101 109.932 108.800 0.051 0.000 2.504 479 G HA2 0.396 4.356 3.960 0.000 0.000 0.288 479 G HA3 0.396 4.356 3.960 0.000 0.000 0.288 479 G C 0.306 175.227 174.900 0.036 0.000 1.182 479 G CA -0.078 45.041 45.100 0.033 0.000 0.894 479 G HN 0.625 nan 8.290 nan 0.000 0.521 480 T N -0.650 113.924 114.554 0.033 0.000 3.073 480 T HA 0.261 4.611 4.350 0.000 0.000 0.264 480 T C 1.154 175.871 174.700 0.029 0.000 0.893 480 T CA 0.523 62.648 62.100 0.042 0.000 0.863 480 T CB -0.240 68.660 68.868 0.054 0.000 1.247 480 T HN 0.840 nan 8.240 nan 0.000 0.546 481 G N 2.332 111.144 108.800 0.019 0.000 2.441 481 G HA2 0.428 4.388 3.960 0.000 0.000 0.243 481 G HA3 0.428 4.388 3.960 0.000 0.000 0.243 481 G C -0.443 174.447 174.900 -0.016 0.000 1.281 481 G CA -0.202 44.905 45.100 0.011 0.000 0.854 481 G HN 0.516 nan 8.290 nan 0.000 0.560 482 D N 0.767 121.143 120.400 -0.040 0.000 2.442 482 D HA 0.269 4.909 4.640 0.000 0.000 0.254 482 D C 1.371 177.618 176.300 -0.089 0.000 1.069 482 D CA -1.016 52.937 54.000 -0.079 0.000 1.017 482 D CB 1.051 41.778 40.800 -0.123 0.000 1.172 482 D HN 0.169 nan 8.370 nan 0.000 0.561 483 L N 0.658 121.807 121.223 -0.125 0.000 2.042 483 L HA -0.154 4.187 4.340 0.000 0.000 0.210 483 L C 1.898 178.716 176.870 -0.087 0.000 1.076 483 L CA 1.925 56.691 54.840 -0.124 0.000 0.749 483 L CB -0.878 41.054 42.059 -0.211 0.000 0.893 483 L HN 0.532 nan 8.230 nan 0.000 0.432 484 S N -0.700 114.929 115.700 -0.119 0.000 2.399 484 S HA -0.175 4.295 4.470 0.000 0.000 0.231 484 S C 1.752 176.406 174.600 0.089 0.000 1.022 484 S CA 1.433 59.621 58.200 -0.020 0.000 0.983 484 S CB -0.338 62.785 63.200 -0.129 0.000 0.803 484 S HN 0.579 nan 8.310 nan 0.000 0.480 485 E N 0.649 120.866 120.200 0.028 0.000 2.107 485 E HA -0.028 4.322 4.350 0.000 0.000 0.191 485 E C 1.840 178.528 176.600 0.147 0.000 0.982 485 E CA 0.566 57.058 56.400 0.154 0.000 0.809 485 E CB -0.191 29.588 29.700 0.131 0.000 0.756 485 E HN 0.227 nan 8.360 nan 0.000 0.459 486 L N 0.932 122.194 121.223 0.064 0.000 2.042 486 L HA -0.188 4.152 4.340 0.000 0.000 0.210 486 L C 2.321 179.224 176.870 0.055 0.000 1.076 486 L CA 1.805 56.662 54.840 0.029 0.000 0.749 486 L CB -0.738 41.321 42.059 0.000 0.000 0.893 486 L HN 0.084 nan 8.230 nan 0.000 0.432 487 A N -1.422 121.465 122.820 0.112 0.000 1.933 487 A HA -0.121 4.199 4.320 0.000 0.000 0.218 487 A C 2.007 179.708 177.584 0.195 0.000 1.175 487 A CA 1.348 53.512 52.037 0.211 0.000 0.628 487 A CB -0.429 18.704 19.000 0.222 0.000 0.814 487 A HN 0.296 nan 8.150 nan 0.000 0.444 488 L N -1.706 119.640 121.223 0.205 0.000 2.554 488 L HA 0.215 4.555 4.340 0.000 0.000 0.225 488 L C 1.578 178.618 176.870 0.284 0.000 1.104 488 L CA 1.448 56.423 54.840 0.224 0.000 0.866 488 L CB -1.142 41.090 42.059 0.289 0.000 1.047 488 L HN 0.689 nan 8.230 nan 0.000 0.468 489 G N -0.755 108.174 108.800 0.214 0.000 2.212 489 G HA2 -0.282 3.678 3.960 0.000 0.000 0.255 489 G HA3 -0.282 3.678 3.960 0.000 0.000 0.255 489 G C 0.008 175.105 174.900 0.330 0.000 1.062 489 G CA -0.036 45.165 45.100 0.169 0.000 0.815 489 G HN 0.418 nan 8.290 nan 0.000 0.497 490 W N 1.273 122.649 121.300 0.128 0.000 2.175 490 W HA 0.675 5.335 4.660 0.000 0.000 0.350 490 W C -0.321 176.254 176.519 0.093 0.000 0.877 490 W CA 0.057 57.487 57.345 0.142 0.000 1.544 490 W CB 0.630 30.199 29.460 0.181 0.000 1.585 490 W HN 0.200 nan 8.180 nan 0.000 0.347 491 S N 1.123 116.788 115.700 -0.059 0.000 2.597 491 S HA 0.233 4.703 4.470 0.000 0.000 0.274 491 S C -0.739 173.819 174.600 -0.070 0.000 1.132 491 S CA -0.524 57.641 58.200 -0.057 0.000 0.835 491 S CB 1.916 65.117 63.200 0.002 0.000 1.092 491 S HN 0.045 nan 8.310 nan 0.000 0.457 492 T N 2.686 117.210 114.554 -0.050 0.000 2.744 492 T HA 0.352 4.702 4.350 0.000 0.000 0.291 492 T C -0.744 173.967 174.700 0.018 0.000 0.957 492 T CA -0.108 61.986 62.100 -0.010 0.000 1.002 492 T CB 0.097 68.946 68.868 -0.031 0.000 0.919 492 T HN 0.456 nan 8.240 nan 0.000 0.468 493 Y N 3.198 123.467 120.300 -0.052 0.000 2.377 493 Y HA 0.437 4.987 4.550 0.000 0.000 0.330 493 Y C 1.196 177.075 175.900 -0.035 0.000 1.108 493 Y CA 1.153 59.214 58.100 -0.066 0.000 1.308 493 Y CB 0.022 38.457 38.460 -0.042 0.000 1.216 493 Y HN 0.920 nan 8.280 nan 0.000 0.518 494 G N 3.353 111.624 108.800 -0.883 0.000 5.347 494 G HA2 -0.276 3.684 3.960 0.000 0.000 0.299 494 G HA3 -0.276 3.684 3.960 0.000 0.000 0.299 494 G C -0.325 174.305 174.900 -0.449 0.000 1.492 494 G CA 0.046 44.630 45.100 -0.860 0.000 0.991 494 G HN 1.495 nan 8.290 nan 0.000 0.749 495 V N -0.281 119.446 119.914 -0.313 0.000 2.288 495 V HA 0.808 4.928 4.120 0.000 0.000 0.266 495 V C 0.646 176.653 176.094 -0.145 0.000 1.048 495 V CA 0.644 62.803 62.300 -0.234 0.000 0.842 495 V CB 0.056 31.762 31.823 -0.194 0.000 1.064 495 V HN 2.411 nan 8.190 nan 0.000 0.472 496 G N 3.807 112.536 108.800 -0.119 0.000 2.320 496 G HA2 0.240 4.200 3.960 0.000 0.000 0.297 496 G HA3 0.240 4.200 3.960 0.000 0.000 0.297 496 G C -0.215 174.667 174.900 -0.031 0.000 1.344 496 G CA 0.033 45.097 45.100 -0.060 0.000 0.851 496 G HN 0.595 nan 8.290 nan 0.000 0.567 497 D N -0.458 119.938 120.400 -0.007 0.000 2.371 497 D HA -0.115 4.525 4.640 0.000 0.000 0.221 497 D C 1.591 177.900 176.300 0.014 0.000 0.986 497 D CA 0.761 54.774 54.000 0.021 0.000 0.899 497 D CB 0.130 40.945 40.800 0.025 0.000 0.902 497 D HN 0.405 nan 8.370 nan 0.000 0.530 498 Q N -0.455 119.337 119.800 -0.013 0.000 2.224 498 Q HA -0.070 4.271 4.340 0.000 0.000 0.203 498 Q C 0.296 176.283 176.000 -0.023 0.000 0.970 498 Q CA 0.449 56.240 55.803 -0.019 0.000 0.865 498 Q CB 0.014 28.739 28.738 -0.021 0.000 0.922 498 Q HN 0.198 nan 8.270 nan 0.000 0.445 499 M N 0.718 120.304 119.600 -0.024 0.000 2.233 499 M HA 0.236 4.716 4.480 0.000 0.000 0.355 499 M C -0.264 176.141 176.300 0.174 0.000 1.191 499 M CA -0.170 55.139 55.300 0.015 0.000 1.101 499 M CB 1.293 33.824 32.600 -0.115 0.000 1.592 499 M HN 0.190 nan 8.290 nan 0.000 0.461 500 S N 2.474 118.274 115.700 0.167 0.000 2.703 500 S HA 0.506 4.976 4.470 0.000 0.000 0.273 500 S C 0.338 174.909 174.600 -0.047 0.000 1.178 500 S CA -0.737 57.497 58.200 0.056 0.000 0.838 500 S CB 1.070 64.281 63.200 0.019 0.000 1.178 500 S HN 0.719 nan 8.310 nan 0.000 0.494 501 H N -0.888 118.163 119.070 -0.032 0.000 2.486 501 H HA 0.325 4.881 4.556 0.000 0.000 0.287 501 H C -0.696 174.717 175.328 0.142 0.000 1.010 501 H CA 1.160 57.228 56.048 0.033 0.000 1.324 501 H CB 0.324 30.053 29.762 -0.056 0.000 1.446 501 H HN 0.595 nan 8.280 nan 0.000 0.537 502 Y N 0.889 121.238 120.300 0.082 0.000 2.390 502 Y HA 0.205 4.755 4.550 0.000 0.000 0.324 502 Y C -1.313 174.605 175.900 0.030 0.000 1.151 502 Y CA -1.110 57.018 58.100 0.048 0.000 1.053 502 Y CB 1.123 39.605 38.460 0.036 0.000 1.277 502 Y HN -0.120 nan 8.280 nan 0.000 0.432 503 N N 4.357 122.850 118.700 -0.345 0.000 2.501 503 N HA 0.259 5.000 4.740 0.000 0.000 0.245 503 N C 0.526 175.917 175.510 -0.198 0.000 0.974 503 N CA -0.159 52.783 53.050 -0.181 0.000 0.941 503 N CB 1.660 40.062 38.487 -0.142 0.000 1.122 503 N HN 0.577 nan 8.380 nan 0.000 0.507 504 V N 1.271 121.177 119.914 -0.012 0.000 2.871 504 V HA 0.123 4.243 4.120 0.000 0.000 0.256 504 V C 0.942 177.053 176.094 0.028 0.000 1.082 504 V CA 1.016 63.343 62.300 0.045 0.000 1.105 504 V CB -0.311 31.579 31.823 0.112 0.000 0.713 504 V HN 0.391 nan 8.190 nan 0.000 0.473 505 N N 0.777 119.488 118.700 0.018 0.000 2.280 505 N HA 0.354 5.094 4.740 0.000 0.000 0.192 505 N C 1.711 177.200 175.510 -0.035 0.000 1.109 505 N CA 0.912 53.973 53.050 0.018 0.000 0.855 505 N CB 0.503 39.011 38.487 0.035 0.000 0.974 505 N HN 0.562 nan 8.380 nan 0.000 0.482 506 A N 0.252 123.038 122.820 -0.058 0.000 1.940 506 A HA -0.031 4.289 4.320 0.000 0.000 0.219 506 A C 2.009 179.548 177.584 -0.074 0.000 1.176 506 A CA 1.828 53.822 52.037 -0.072 0.000 0.631 506 A CB -0.785 18.157 19.000 -0.097 0.000 0.814 506 A HN 0.298 nan 8.150 nan 0.000 0.446 507 G N -1.421 107.337 108.800 -0.070 0.000 3.189 507 G HA2 0.399 4.359 3.960 0.000 0.000 0.225 507 G HA3 0.399 4.359 3.960 0.000 0.000 0.225 507 G C -0.022 174.814 174.900 -0.106 0.000 1.159 507 G CA 0.268 45.324 45.100 -0.074 0.000 0.763 507 G HN 0.231 nan 8.290 nan 0.000 0.549 508 V N 3.139 122.985 119.914 -0.114 0.000 2.350 508 V HA 0.315 4.435 4.120 0.000 0.000 0.276 508 V C -1.917 174.041 176.094 -0.226 0.000 1.028 508 V CA -1.979 60.233 62.300 -0.146 0.000 0.860 508 V CB 2.019 33.787 31.823 -0.092 0.000 0.990 508 V HN 0.060 nan 8.190 nan 0.000 0.453 509 P HA 0.178 nan 4.420 nan 0.000 0.274 509 P C 0.465 177.623 177.300 -0.237 0.000 1.237 509 P CA -0.407 62.450 63.100 -0.406 0.000 0.793 509 P CB 1.496 32.728 31.700 -0.781 0.000 0.977 510 K N 0.587 120.851 120.400 -0.227 0.000 2.097 510 K HA -0.122 4.198 4.320 0.000 0.000 0.206 510 K C 1.754 178.314 176.600 -0.066 0.000 1.049 510 K CA 2.195 58.351 56.287 -0.219 0.000 0.933 510 K CB -0.636 31.586 32.500 -0.463 0.000 0.717 510 K HN 0.578 nan 8.250 nan 0.000 0.442 511 T N -0.430 114.158 114.554 0.056 0.000 2.929 511 T HA -0.150 4.200 4.350 0.000 0.000 0.271 511 T C 1.608 176.423 174.700 0.191 0.000 1.085 511 T CA 0.931 63.159 62.100 0.215 0.000 1.125 511 T CB -0.041 69.104 68.868 0.461 0.000 0.874 511 T HN 0.152 nan 8.240 nan 0.000 0.494 512 L N -0.420 120.857 121.223 0.090 0.000 2.463 512 L HA 0.483 4.823 4.340 0.000 0.000 0.219 512 L C 2.008 178.883 176.870 0.010 0.000 1.088 512 L CA 0.601 55.494 54.840 0.089 0.000 0.849 512 L CB -0.361 41.715 42.059 0.028 0.000 1.012 512 L HN 0.140 nan 8.230 nan 0.000 0.468 513 I N 0.246 120.765 120.570 -0.084 0.000 2.151 513 I HA -0.390 3.780 4.170 0.000 0.000 0.243 513 I C 2.661 178.681 176.117 -0.162 0.000 1.080 513 I CA 2.132 63.318 61.300 -0.190 0.000 1.339 513 I CB -0.370 37.523 38.000 -0.178 0.000 1.039 513 I HN 0.498 nan 8.210 nan 0.000 0.409 514 Q N -0.091 119.628 119.800 -0.134 0.000 2.135 514 Q HA -0.268 4.072 4.340 0.000 0.000 0.204 514 Q C 1.993 177.865 176.000 -0.214 0.000 0.981 514 Q CA 1.774 57.455 55.803 -0.204 0.000 0.856 514 Q CB -0.681 27.872 28.738 -0.307 0.000 0.902 514 Q HN 0.590 nan 8.270 nan 0.000 0.425 515 H N -0.167 118.866 119.070 -0.062 0.000 2.457 515 H HA -0.011 4.545 4.556 0.000 0.000 0.294 515 H C 1.930 177.288 175.328 0.050 0.000 1.064 515 H CA 1.009 57.052 56.048 -0.008 0.000 1.330 515 H CB 0.294 30.054 29.762 -0.004 0.000 1.395 515 H HN 0.221 nan 8.280 nan 0.000 0.541 516 L N 0.581 121.854 121.223 0.084 0.000 2.072 516 L HA -0.082 4.258 4.340 0.000 0.000 0.205 516 L C 2.520 179.513 176.870 0.204 0.000 1.079 516 L CA 1.055 55.941 54.840 0.077 0.000 0.752 516 L CB -0.664 41.278 42.059 -0.194 0.000 0.906 516 L HN 0.164 nan 8.230 nan 0.000 0.436 517 I N -0.328 120.309 120.570 0.112 0.000 2.226 517 I HA -0.303 3.867 4.170 0.000 0.000 0.245 517 I C 2.559 178.749 176.117 0.122 0.000 1.100 517 I CA 1.399 62.801 61.300 0.170 0.000 1.374 517 I CB -0.378 37.672 38.000 0.084 0.000 1.057 517 I HN 0.330 nan 8.210 nan 0.000 0.413 518 R N 0.143 120.690 120.500 0.078 0.000 2.236 518 R HA -0.182 4.158 4.340 0.000 0.000 0.208 518 R C 2.076 178.436 176.300 0.101 0.000 1.036 518 R CA 0.784 56.913 56.100 0.049 0.000 1.001 518 R CB -0.836 29.456 30.300 -0.013 0.000 0.896 518 R HN 0.434 nan 8.270 nan 0.000 0.464 519 W N 1.409 122.707 121.300 -0.003 0.000 2.381 519 W HA -0.111 4.549 4.660 0.000 0.000 0.301 519 W C 1.696 178.178 176.519 -0.061 0.000 1.205 519 W CA 1.388 58.725 57.345 -0.014 0.000 1.285 519 W CB -0.028 29.433 29.460 0.001 0.000 1.133 519 W HN -0.141 nan 8.180 nan 0.000 0.521 520 V N 0.967 120.964 119.914 0.138 0.000 2.358 520 V HA -0.305 3.815 4.120 0.000 0.000 0.246 520 V C 2.162 178.200 176.094 -0.093 0.000 1.047 520 V CA 1.951 64.236 62.300 -0.025 0.000 1.035 520 V CB -0.831 31.081 31.823 0.149 0.000 0.658 520 V HN 0.184 nan 8.190 nan 0.000 0.452 521 I N -0.133 120.413 120.570 -0.041 0.000 2.127 521 I HA -0.262 3.908 4.170 0.000 0.000 0.241 521 I C 2.623 178.666 176.117 -0.124 0.000 1.075 521 I CA 1.846 63.114 61.300 -0.053 0.000 1.334 521 I CB -0.390 37.590 38.000 -0.034 0.000 1.040 521 I HN 0.234 nan 8.210 nan 0.000 0.405 522 S N 0.247 115.839 115.700 -0.180 0.000 2.383 522 S HA -0.113 4.357 4.470 0.000 0.000 0.227 522 S C 2.183 176.585 174.600 -0.331 0.000 1.026 522 S CA 1.168 59.235 58.200 -0.222 0.000 0.981 522 S CB -0.260 62.815 63.200 -0.207 0.000 0.818 522 S HN 0.529 nan 8.310 nan 0.000 0.472 523 A N 0.724 123.218 122.820 -0.542 0.000 1.877 523 A HA 0.221 4.541 4.320 0.000 0.000 0.216 523 A C 1.999 179.395 177.584 -0.314 0.000 1.186 523 A CA 1.635 53.329 52.037 -0.572 0.000 0.620 523 A CB -1.338 17.111 19.000 -0.919 0.000 0.822 523 A HN 1.106 nan 8.150 nan 0.000 0.443 524 G N -2.038 106.627 108.800 -0.225 0.000 2.168 524 G HA2 -0.295 3.665 3.960 0.000 0.000 0.257 524 G HA3 -0.295 3.665 3.960 0.000 0.000 0.257 524 G C 0.558 175.397 174.900 -0.102 0.000 0.997 524 G CA 1.121 46.154 45.100 -0.113 0.000 0.708 524 G HN 0.538 nan 8.290 nan 0.000 0.520 525 E N -1.252 118.841 120.200 -0.178 0.000 2.347 525 E HA 0.260 4.610 4.350 0.000 0.000 0.196 525 E C 1.342 177.774 176.600 -0.280 0.000 1.008 525 E CA 0.673 56.932 56.400 -0.234 0.000 0.852 525 E CB -0.077 29.440 29.700 -0.304 0.000 0.783 525 E HN 0.620 nan 8.360 nan 0.000 0.505 526 F N 0.055 119.980 119.950 -0.043 0.000 2.181 526 F HA 0.523 5.050 4.527 0.000 0.000 0.285 526 F C 1.842 177.626 175.800 -0.026 0.000 1.134 526 F CA -0.033 57.958 58.000 -0.015 0.000 1.139 526 F CB -0.428 38.567 39.000 -0.007 0.000 1.614 526 F HN 0.110 nan 8.300 nan 0.000 0.519 527 G N -0.736 108.187 108.800 0.205 0.000 2.651 527 G HA2 0.305 4.265 3.960 0.000 0.000 0.260 527 G HA3 0.305 4.265 3.960 0.000 0.000 0.260 527 G C 0.623 175.554 174.900 0.052 0.000 1.216 527 G CA 0.089 45.241 45.100 0.086 0.000 0.913 527 G HN 0.536 nan 8.290 nan 0.000 0.535 528 E N -0.545 119.667 120.200 0.019 0.000 2.150 528 E HA -0.127 4.223 4.350 0.000 0.000 0.193 528 E C 2.087 178.686 176.600 -0.001 0.000 0.985 528 E CA 1.575 57.976 56.400 0.002 0.000 0.814 528 E CB -0.531 29.164 29.700 -0.008 0.000 0.752 528 E HN 0.705 nan 8.360 nan 0.000 0.466 529 K N 0.676 121.077 120.400 0.002 0.000 2.026 529 K HA -0.028 4.292 4.320 0.000 0.000 0.208 529 K C 2.414 179.006 176.600 -0.014 0.000 1.048 529 K CA 1.452 57.734 56.287 -0.009 0.000 0.929 529 K CB -0.586 31.908 32.500 -0.009 0.000 0.713 529 K HN 0.198 nan 8.250 nan 0.000 0.439 530 V N 1.334 121.248 119.914 0.001 0.000 2.343 530 V HA -0.188 3.932 4.120 0.000 0.000 0.247 530 V C 2.418 178.498 176.094 -0.023 0.000 1.051 530 V CA 2.197 64.485 62.300 -0.020 0.000 1.036 530 V CB -1.143 30.679 31.823 -0.001 0.000 0.654 530 V HN 0.562 nan 8.190 nan 0.000 0.451 531 G N -0.507 108.295 108.800 0.002 0.000 2.469 531 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 531 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 531 G C 1.470 176.356 174.900 -0.024 0.000 1.136 531 G CA 1.032 46.127 45.100 -0.009 0.000 0.759 531 G HN 0.582 nan 8.290 nan 0.000 0.562 532 E N -0.490 119.695 120.200 -0.025 0.000 2.072 532 E HA -0.067 4.283 4.350 0.000 0.000 0.191 532 E C 2.594 179.172 176.600 -0.036 0.000 0.985 532 E CA 0.966 57.348 56.400 -0.030 0.000 0.801 532 E CB -0.191 29.491 29.700 -0.028 0.000 0.750 532 E HN 0.289 nan 8.360 nan 0.000 0.452 533 V N 0.922 120.811 119.914 -0.042 0.000 2.548 533 V HA -0.161 3.959 4.120 0.000 0.000 0.249 533 V C 1.890 177.956 176.094 -0.047 0.000 1.055 533 V CA 1.245 63.516 62.300 -0.050 0.000 1.065 533 V CB -0.122 31.663 31.823 -0.063 0.000 0.681 533 V HN 0.202 nan 8.190 nan 0.000 0.462 534 L N -0.160 121.036 121.223 -0.045 0.000 2.109 534 L HA -0.112 4.228 4.340 0.000 0.000 0.207 534 L C 2.624 179.475 176.870 -0.032 0.000 1.086 534 L CA 1.765 56.584 54.840 -0.036 0.000 0.760 534 L CB -0.609 41.432 42.059 -0.031 0.000 0.910 534 L HN 0.384 nan 8.230 nan 0.000 0.437 535 Q N -0.205 119.574 119.800 -0.035 0.000 2.124 535 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 535 Q C 2.384 178.359 176.000 -0.040 0.000 0.977 535 Q CA 2.085 57.865 55.803 -0.039 0.000 0.850 535 Q CB -0.301 28.414 28.738 -0.038 0.000 0.901 535 Q HN 0.327 nan 8.270 nan 0.000 0.429 536 S N -1.289 114.389 115.700 -0.037 0.000 2.359 536 S HA -0.136 4.334 4.470 0.000 0.000 0.224 536 S C 1.857 176.437 174.600 -0.033 0.000 1.035 536 S CA 1.391 59.570 58.200 -0.035 0.000 1.018 536 S CB -0.480 62.699 63.200 -0.035 0.000 0.876 536 S HN 0.314 nan 8.310 nan 0.000 0.448 537 V N 2.044 121.939 119.914 -0.032 0.000 2.252 537 V HA -0.175 3.945 4.120 0.000 0.000 0.249 537 V C 2.524 178.598 176.094 -0.033 0.000 1.056 537 V CA 1.832 64.116 62.300 -0.026 0.000 1.022 537 V CB -0.798 31.013 31.823 -0.020 0.000 0.641 537 V HN 0.397 nan 8.190 nan 0.000 0.445 538 L N 0.165 121.362 121.223 -0.044 0.000 1.990 538 L HA -0.216 4.124 4.340 0.000 0.000 0.213 538 L C 2.216 179.048 176.870 -0.063 0.000 1.072 538 L CA 2.106 56.907 54.840 -0.065 0.000 0.755 538 L CB -1.297 40.714 42.059 -0.081 0.000 0.889 538 L HN 0.375 nan 8.230 nan 0.000 0.432 539 D N -1.636 118.733 120.400 -0.053 0.000 2.144 539 D HA -0.121 4.519 4.640 0.000 0.000 0.200 539 D C 2.091 178.371 176.300 -0.033 0.000 0.978 539 D CA 1.575 55.547 54.000 -0.046 0.000 0.833 539 D CB -0.127 40.648 40.800 -0.041 0.000 0.961 539 D HN 0.318 nan 8.370 nan 0.000 0.470 540 T N 1.002 115.539 114.554 -0.027 0.000 2.812 540 T HA -0.071 4.279 4.350 0.000 0.000 0.264 540 T C 1.664 176.358 174.700 -0.011 0.000 1.042 540 T CA 0.857 62.948 62.100 -0.016 0.000 1.140 540 T CB 0.122 68.983 68.868 -0.012 0.000 0.870 540 T HN 0.070 nan 8.240 nan 0.000 0.445 541 E N 0.780 120.971 120.200 -0.016 0.000 2.060 541 E HA 0.126 4.476 4.350 0.000 0.000 0.189 541 E C 0.656 177.250 176.600 -0.011 0.000 0.974 541 E CA 0.284 56.679 56.400 -0.008 0.000 0.808 541 E CB -0.342 29.352 29.700 -0.010 0.000 0.768 541 E HN 0.412 nan 8.360 nan 0.000 0.453 542 I N 1.830 122.380 120.570 -0.033 0.000 2.421 542 I HA 0.009 4.180 4.170 0.000 0.000 0.291 542 I C 0.712 176.816 176.117 -0.022 0.000 1.089 542 I CA 0.507 61.785 61.300 -0.037 0.000 1.354 542 I CB 0.703 38.650 38.000 -0.089 0.000 1.413 542 I HN -0.136 nan 8.210 nan 0.000 0.513 560 K N 1.610 121.750 120.400 -0.433 0.000 2.847 560 K HA 0.451 4.771 4.320 0.000 0.000 0.213 560 K C -0.257 176.218 176.600 -0.208 0.000 1.174 560 K CA -0.087 56.044 56.287 -0.261 0.000 1.095 560 K CB 0.335 32.823 32.500 -0.021 0.000 1.581 560 K HN 1.091 nan 8.250 nan 0.000 0.514 561 V N -1.557 118.099 119.914 -0.430 0.000 2.467 561 V HA 0.800 4.920 4.120 0.000 0.000 0.260 561 V C 0.070 175.792 176.094 -0.620 0.000 0.963 561 V CA -0.513 61.675 62.300 -0.186 0.000 0.856 561 V CB 0.717 32.581 31.823 0.068 0.000 1.087 561 V HN 0.451 nan 8.190 nan 0.000 0.467 562 G N 3.212 111.194 108.800 -1.362 0.000 2.841 562 G HA2 0.124 4.084 3.960 0.000 0.000 0.684 562 G HA3 0.124 4.084 3.960 0.000 0.000 0.684 562 G C -3.085 170.956 174.900 -1.431 0.000 1.273 562 G CA -0.512 43.403 45.100 -1.975 0.000 0.811 562 G HN 0.566 nan 8.290 nan 0.000 0.631 563 P HA 0.256 nan 4.420 nan 0.000 0.263 563 P C 0.682 177.581 177.300 -0.668 0.000 1.195 563 P CA -0.074 62.571 63.100 -0.758 0.000 0.762 563 P CB 0.259 31.593 31.700 -0.611 0.000 0.799 564 F N 2.193 121.994 119.950 -0.249 0.000 2.365 564 F HA -0.123 4.404 4.527 0.000 0.000 0.300 564 F C 2.507 178.285 175.800 -0.037 0.000 1.090 564 F CA 1.432 59.353 58.000 -0.132 0.000 1.408 564 F CB -1.218 37.744 39.000 -0.062 0.000 1.060 564 F HN 0.340 nan 8.300 nan 0.000 0.534 565 A N -0.039 122.856 122.820 0.124 0.000 1.917 565 A HA -0.184 4.136 4.320 0.000 0.000 0.219 565 A C 2.131 179.594 177.584 -0.203 0.000 1.182 565 A CA 1.655 53.750 52.037 0.098 0.000 0.633 565 A CB -0.880 18.103 19.000 -0.029 0.000 0.819 565 A HN 0.268 nan 8.150 nan 0.000 0.448 566 L N -0.625 120.308 121.223 -0.484 0.000 2.068 566 L HA -0.085 4.255 4.340 0.000 0.000 0.204 566 L C 2.642 179.365 176.870 -0.245 0.000 1.076 566 L CA 1.643 56.174 54.840 -0.515 0.000 0.753 566 L CB -0.839 40.771 42.059 -0.748 0.000 0.910 566 L HN 0.383 nan 8.230 nan 0.000 0.439 567 Q N -0.641 119.022 119.800 -0.229 0.000 2.172 567 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 567 Q C 1.704 177.652 176.000 -0.086 0.000 0.964 567 Q CA 1.055 56.755 55.803 -0.172 0.000 0.855 567 Q CB -0.320 28.399 28.738 -0.031 0.000 0.918 567 Q HN 0.463 nan 8.270 nan 0.000 0.444 568 D N 0.070 120.537 120.400 0.112 0.000 2.219 568 D HA -0.094 4.546 4.640 0.000 0.000 0.205 568 D C 1.536 178.006 176.300 0.283 0.000 0.970 568 D CA 0.438 54.595 54.000 0.263 0.000 0.851 568 D CB -0.281 40.743 40.800 0.374 0.000 0.943 568 D HN 0.157 nan 8.370 nan 0.000 0.488 569 F N 1.233 121.192 119.950 0.015 0.000 2.113 569 F HA -0.175 4.352 4.527 0.000 0.000 0.297 569 F C 2.420 178.166 175.800 -0.089 0.000 1.103 569 F CA 1.161 59.152 58.000 -0.014 0.000 1.248 569 F CB 0.012 39.000 39.000 -0.020 0.000 0.999 569 F HN -0.175 nan 8.300 nan 0.000 0.475 570 S N 0.706 116.364 115.700 -0.070 0.000 2.382 570 S HA -0.173 4.297 4.470 0.000 0.000 0.228 570 S C 1.841 176.073 174.600 -0.614 0.000 1.027 570 S CA 1.187 59.141 58.200 -0.410 0.000 0.991 570 S CB -0.662 61.978 63.200 -0.933 0.000 0.823 570 S HN 0.369 nan 8.310 nan 0.000 0.469 571 L N 1.104 121.960 121.223 -0.613 0.000 2.013 571 L HA -0.089 4.251 4.340 0.000 0.000 0.212 571 L C 1.897 178.641 176.870 -0.209 0.000 1.073 571 L CA 1.784 56.445 54.840 -0.299 0.000 0.753 571 L CB -0.906 41.160 42.059 0.012 0.000 0.890 571 L HN 0.307 nan 8.230 nan 0.000 0.432 572 F N -0.260 119.524 119.950 -0.277 0.000 2.102 572 F HA -0.270 4.257 4.527 0.000 0.000 0.298 572 F C 2.484 177.998 175.800 -0.477 0.000 1.105 572 F CA 1.741 59.442 58.000 -0.498 0.000 1.239 572 F CB -0.180 38.323 39.000 -0.828 0.000 0.991 572 F HN 0.207 nan 8.300 nan 0.000 0.474 573 Q N 0.007 119.704 119.800 -0.173 0.000 2.096 573 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 573 Q C 2.535 178.421 176.000 -0.189 0.000 0.982 573 Q CA 1.701 57.468 55.803 -0.061 0.000 0.850 573 Q CB -1.237 27.621 28.738 0.200 0.000 0.901 573 Q HN 0.382 nan 8.270 nan 0.000 0.422 574 V N 0.745 120.542 119.914 -0.195 0.000 2.255 574 V HA -0.198 3.922 4.120 0.000 0.000 0.243 574 V C 2.290 178.174 176.094 -0.350 0.000 1.038 574 V CA 1.276 63.462 62.300 -0.191 0.000 1.008 574 V CB -0.603 31.034 31.823 -0.310 0.000 0.645 574 V HN 0.203 nan 8.190 nan 0.000 0.449 575 L N 0.004 120.916 121.223 -0.519 0.000 2.083 575 L HA -0.134 4.206 4.340 0.000 0.000 0.209 575 L C 2.473 179.051 176.870 -0.486 0.000 1.083 575 L CA 2.083 56.625 54.840 -0.496 0.000 0.752 575 L CB -0.709 41.078 42.059 -0.453 0.000 0.899 575 L HN 0.248 nan 8.230 nan 0.000 0.433 576 R N -2.063 117.949 120.500 -0.812 0.000 2.066 576 R HA -0.063 4.277 4.340 0.000 0.000 0.224 576 R C 1.402 177.184 176.300 -0.863 0.000 1.122 576 R CA 1.653 57.111 56.100 -1.069 0.000 0.974 576 R CB -0.234 28.904 30.300 -1.936 0.000 0.871 576 R HN 0.406 nan 8.270 nan 0.000 0.435 577 Y N -1.693 118.287 120.300 -0.533 0.000 2.453 577 Y HA 0.409 4.960 4.550 0.000 0.000 0.247 577 Y C 1.172 176.899 175.900 -0.289 0.000 1.124 577 Y CA -0.236 57.514 58.100 -0.584 0.000 1.243 577 Y CB 0.502 38.086 38.460 -1.461 0.000 1.213 577 Y HN 0.244 nan 8.280 nan 0.000 0.523 578 G N 0.765 109.553 108.800 -0.020 0.000 2.258 578 G HA2 -0.324 3.636 3.960 0.000 0.000 0.274 578 G HA3 -0.324 3.636 3.960 0.000 0.000 0.274 578 G C -0.084 175.046 174.900 0.382 0.000 1.021 578 G CA -0.129 45.109 45.100 0.230 0.000 0.798 578 G HN 0.101 nan 8.290 nan 0.000 0.507 579 F N 0.706 120.814 119.950 0.264 0.000 2.595 579 F HA 0.262 4.789 4.527 0.000 0.000 0.359 579 F C 1.688 177.662 175.800 0.290 0.000 1.147 579 F CA -0.579 57.564 58.000 0.238 0.000 1.341 579 F CB 0.420 39.553 39.000 0.221 0.000 1.104 579 F HN 0.534 nan 8.300 nan 0.000 0.603 580 R N 3.730 124.490 120.500 0.433 0.000 2.679 580 R HA 0.219 4.559 4.340 0.000 0.000 0.269 580 R C -2.261 174.271 176.300 0.387 0.000 1.076 580 R CA -1.094 55.224 56.100 0.364 0.000 1.160 580 R CB -0.230 30.195 30.300 0.209 0.000 1.054 580 R HN 0.250 nan 8.270 nan 0.000 0.507 581 P HA -0.248 nan 4.420 nan 0.000 0.215 581 P C 1.258 178.764 177.300 0.344 0.000 1.157 581 P CA 2.228 65.561 63.100 0.389 0.000 0.874 581 P CB -0.005 31.926 31.700 0.386 0.000 0.790 582 S N -0.399 115.492 115.700 0.318 0.000 2.382 582 S HA -0.211 4.259 4.470 0.000 0.000 0.228 582 S C 2.020 176.910 174.600 0.484 0.000 1.027 582 S CA 1.554 60.010 58.200 0.427 0.000 0.991 582 S CB -1.024 62.407 63.200 0.384 0.000 0.823 582 S HN -0.004 nan 8.310 nan 0.000 0.469 583 K N 1.885 122.494 120.400 0.348 0.000 2.063 583 K HA 0.030 4.350 4.320 0.000 0.000 0.208 583 K C 1.839 178.608 176.600 0.282 0.000 1.048 583 K CA 1.697 58.114 56.287 0.217 0.000 0.928 583 K CB -0.821 31.683 32.500 0.006 0.000 0.713 583 K HN 0.582 nan 8.250 nan 0.000 0.442 584 I N 0.311 121.101 120.570 0.367 0.000 2.179 584 I HA -0.251 3.919 4.170 0.000 0.000 0.242 584 I C 2.354 178.720 176.117 0.416 0.000 1.088 584 I CA 1.169 62.726 61.300 0.428 0.000 1.357 584 I CB -0.597 37.636 38.000 0.387 0.000 1.051 584 I HN 0.253 nan 8.210 nan 0.000 0.409 585 A N 1.098 124.156 122.820 0.397 0.000 1.873 585 A HA -0.306 4.014 4.320 0.000 0.000 0.218 585 A C 2.278 180.201 177.584 0.565 0.000 1.193 585 A CA 1.933 54.221 52.037 0.420 0.000 0.629 585 A CB -1.215 18.012 19.000 0.378 0.000 0.826 585 A HN 0.441 nan 8.150 nan 0.000 0.447 586 F N 0.541 120.704 119.950 0.354 0.000 2.065 586 F HA -0.225 4.302 4.527 0.000 0.000 0.298 586 F C 2.041 177.985 175.800 0.240 0.000 1.112 586 F CA 2.104 60.102 58.000 -0.002 0.000 1.212 586 F CB -0.421 38.058 39.000 -0.869 0.000 0.975 586 F HN 0.168 nan 8.300 nan 0.000 0.476 587 L N -0.383 121.003 121.223 0.271 0.000 2.017 587 L HA -0.210 4.130 4.340 0.000 0.000 0.208 587 L C 2.802 179.771 176.870 0.165 0.000 1.073 587 L CA 1.265 56.268 54.840 0.273 0.000 0.745 587 L CB -1.332 41.045 42.059 0.529 0.000 0.894 587 L HN 0.249 nan 8.230 nan 0.000 0.432 588 A N -0.591 122.238 122.820 0.015 0.000 1.877 588 A HA -0.285 4.035 4.320 0.000 0.000 0.216 588 A C 2.025 179.569 177.584 -0.066 0.000 1.186 588 A CA 1.725 53.456 52.037 -0.509 0.000 0.620 588 A CB -1.160 17.550 19.000 -0.483 0.000 0.822 588 A HN 0.629 nan 8.150 nan 0.000 0.443 589 W N 0.152 121.423 121.300 -0.049 0.000 2.358 589 W HA -0.212 4.448 4.660 0.000 0.000 0.303 589 W C 2.100 178.529 176.519 -0.149 0.000 1.208 589 W CA 2.154 59.490 57.345 -0.016 0.000 1.274 589 W CB -0.430 29.087 29.460 0.096 0.000 1.138 589 W HN 0.576 nan 8.180 nan 0.000 0.515 590 H N -0.776 118.225 119.070 -0.114 0.000 2.353 590 H HA -0.075 4.481 4.556 0.000 0.000 0.300 590 H C 2.338 177.418 175.328 -0.414 0.000 1.090 590 H CA 2.397 58.219 56.048 -0.376 0.000 1.327 590 H CB -0.540 28.982 29.762 -0.399 0.000 1.383 590 H HN 0.171 nan 8.280 nan 0.000 0.508 591 A N -0.579 122.098 122.820 -0.239 0.000 1.969 591 A HA -0.152 4.168 4.320 0.000 0.000 0.218 591 A C 1.352 178.538 177.584 -0.664 0.000 1.169 591 A CA 1.429 53.198 52.037 -0.446 0.000 0.635 591 A CB -0.509 18.232 19.000 -0.433 0.000 0.810 591 A HN 0.579 nan 8.150 nan 0.000 0.445 592 W N -0.319 120.719 121.300 -0.436 0.000 2.865 592 W HA 0.105 4.765 4.660 0.000 0.000 0.300 592 W C 2.025 178.349 176.519 -0.324 0.000 1.096 592 W CA 0.093 57.232 57.345 -0.344 0.000 1.524 592 W CB 0.174 29.521 29.460 -0.188 0.000 0.991 592 W HN 0.524 nan 8.180 nan 0.000 0.571 593 N N 0.474 118.958 118.700 -0.359 0.000 2.223 593 N HA -0.121 4.619 4.740 0.000 0.000 0.185 593 N C -0.243 175.106 175.510 -0.269 0.000 1.016 593 N CA 1.301 54.089 53.050 -0.436 0.000 0.863 593 N CB -0.251 37.558 38.487 -1.131 0.000 0.983 593 N HN 0.008 nan 8.380 nan 0.000 0.429 594 D N -0.337 119.890 120.400 -0.289 0.000 2.344 594 D HA 0.458 5.098 4.640 0.000 0.000 0.239 594 D C 0.382 176.630 176.300 -0.086 0.000 1.064 594 D CA -0.521 53.378 54.000 -0.168 0.000 0.829 594 D CB 1.941 42.624 40.800 -0.195 0.000 1.129 594 D HN 0.189 nan 8.370 nan 0.000 0.506 595 A N 3.729 126.560 122.820 0.019 0.000 2.019 595 A HA -0.124 4.196 4.320 0.000 0.000 0.219 595 A C 1.416 179.130 177.584 0.216 0.000 1.164 595 A CA 1.269 53.413 52.037 0.177 0.000 0.644 595 A CB -0.082 18.982 19.000 0.107 0.000 0.805 595 A HN 0.660 nan 8.150 nan 0.000 0.449 596 E N -0.835 119.408 120.200 0.070 0.000 2.465 596 E HA 0.111 4.461 4.350 0.000 0.000 0.195 596 E C 0.044 176.648 176.600 0.007 0.000 1.028 596 E CA -0.276 56.158 56.400 0.057 0.000 0.899 596 E CB 0.395 30.102 29.700 0.010 0.000 1.032 596 E HN 0.339 nan 8.360 nan 0.000 0.468 597 R N 0.426 120.895 120.500 -0.051 0.000 2.540 597 R HA 0.503 4.843 4.340 0.000 0.000 0.287 597 R C 0.447 176.637 176.300 -0.183 0.000 0.980 597 R CA 0.041 56.071 56.100 -0.118 0.000 0.966 597 R CB 1.485 31.684 30.300 -0.168 0.000 1.106 597 R HN 0.228 nan 8.270 nan 0.000 0.480 598 G N 2.150 110.842 108.800 -0.181 0.000 2.877 598 G HA2 -0.265 3.695 3.960 0.000 0.000 0.279 598 G HA3 -0.265 3.695 3.960 0.000 0.000 0.279 598 G C -0.640 174.126 174.900 -0.224 0.000 1.431 598 G CA -0.715 44.241 45.100 -0.240 0.000 0.883 598 G HN 0.628 nan 8.290 nan 0.000 0.547 599 N N -0.759 117.789 118.700 -0.254 0.000 2.489 599 N HA 0.605 5.345 4.740 0.000 0.000 0.284 599 N C -0.688 174.645 175.510 -0.295 0.000 1.158 599 N CA -0.021 52.940 53.050 -0.150 0.000 0.965 599 N CB 1.119 39.553 38.487 -0.088 0.000 1.195 599 N HN 0.506 nan 8.380 nan 0.000 0.506 600 W N 0.540 121.756 121.300 -0.140 0.000 2.706 600 W HA 0.448 5.108 4.660 0.000 0.000 0.346 600 W C -1.880 174.598 176.519 -0.068 0.000 1.071 600 W CA -1.358 55.882 57.345 -0.175 0.000 1.206 600 W CB 0.307 29.628 29.460 -0.231 0.000 1.413 600 W HN 0.369 nan 8.180 nan 0.000 0.542 601 P HA 0.184 nan 4.420 nan 0.000 0.274 601 P C -2.279 175.270 177.300 0.415 0.000 1.246 601 P CA -1.023 62.206 63.100 0.216 0.000 0.795 601 P CB -0.165 31.594 31.700 0.099 0.000 1.006 602 P HA 0.059 nan 4.420 nan 0.000 0.271 602 P C 0.532 178.022 177.300 0.316 0.000 1.233 602 P CA 0.510 63.775 63.100 0.274 0.000 0.789 602 P CB 0.070 31.876 31.700 0.178 0.000 0.951 603 G N -0.289 108.599 108.800 0.148 0.000 2.198 603 G HA2 -0.234 3.726 3.960 0.000 0.000 0.257 603 G HA3 -0.234 3.726 3.960 0.000 0.000 0.257 603 G C -0.503 174.265 174.900 -0.221 0.000 1.042 603 G CA -0.402 44.671 45.100 -0.045 0.000 0.791 603 G HN 0.373 nan 8.290 nan 0.000 0.502 604 F N 0.788 120.756 119.950 0.030 0.000 2.434 604 F HA 0.447 4.974 4.527 0.000 0.000 0.367 604 F C -1.882 173.862 175.800 -0.093 0.000 1.093 604 F CA -2.196 55.793 58.000 -0.019 0.000 1.085 604 F CB 2.042 41.055 39.000 0.022 0.000 1.322 604 F HN -0.105 nan 8.300 nan 0.000 0.452 605 P HA 0.079 nan 4.420 nan 0.000 0.271 605 P C 0.624 177.884 177.300 -0.066 0.000 1.216 605 P CA -0.416 62.668 63.100 -0.026 0.000 0.776 605 P CB 0.938 32.614 31.700 -0.041 0.000 0.881 606 K N 1.622 121.965 120.400 -0.095 0.000 2.520 606 K HA -0.124 4.196 4.320 0.000 0.000 0.197 606 K C 0.986 177.504 176.600 -0.137 0.000 1.044 606 K CA 1.488 57.685 56.287 -0.150 0.000 0.938 606 K CB -0.242 32.191 32.500 -0.112 0.000 0.767 606 K HN 0.482 nan 8.250 nan 0.000 0.481 607 S N -1.230 114.416 115.700 -0.090 0.000 2.539 607 S HA 0.136 4.606 4.470 0.000 0.000 0.221 607 S C 0.313 174.884 174.600 -0.047 0.000 0.987 607 S CA -0.531 57.629 58.200 -0.066 0.000 0.929 607 S CB 0.309 63.484 63.200 -0.042 0.000 0.832 607 S HN 0.312 nan 8.310 nan 0.000 0.492 608 E N 1.003 121.176 120.200 -0.046 0.000 2.685 608 E HA 0.256 4.606 4.350 0.000 0.000 0.208 608 E C -0.567 176.052 176.600 0.032 0.000 0.996 608 E CA -0.199 56.221 56.400 0.033 0.000 1.054 608 E CB 0.471 30.209 29.700 0.063 0.000 1.075 608 E HN 0.308 nan 8.360 nan 0.000 0.460 609 R N 2.452 122.837 120.500 -0.192 0.000 2.505 609 R HA 0.217 4.557 4.340 0.000 0.000 0.284 609 R C -2.421 173.782 176.300 -0.162 0.000 1.324 609 R CA -1.470 54.287 56.100 -0.571 0.000 1.432 609 R CB 0.761 30.329 30.300 -1.220 0.000 1.107 609 R HN 0.073 nan 8.270 nan 0.000 0.587 610 P HA 0.203 nan 4.420 nan 0.000 0.276 610 P C -0.477 176.846 177.300 0.038 0.000 1.244 610 P CA -0.348 62.765 63.100 0.021 0.000 0.801 610 P CB 1.524 33.153 31.700 -0.119 0.000 1.006 611 S N 0.481 116.096 115.700 -0.141 0.000 2.654 611 S HA 0.574 5.044 4.470 0.000 0.000 0.283 611 S C -0.906 173.459 174.600 -0.392 0.000 1.180 611 S CA -0.137 57.988 58.200 -0.125 0.000 1.021 611 S CB 0.223 63.399 63.200 -0.040 0.000 1.018 611 S HN 0.312 nan 8.310 nan 0.000 0.532 612 Y N 0.809 121.190 120.300 0.135 0.000 2.406 612 Y HA 0.382 4.932 4.550 0.000 0.000 0.340 612 Y C 0.603 176.574 175.900 0.118 0.000 0.975 612 Y CA -1.047 57.108 58.100 0.091 0.000 1.056 612 Y CB 1.361 39.828 38.460 0.010 0.000 1.210 612 Y HN 0.697 nan 8.280 nan 0.000 0.448 613 S N 1.855 117.733 115.700 0.297 0.000 2.624 613 S HA 0.189 4.659 4.470 0.000 0.000 0.263 613 S C 1.036 175.848 174.600 0.352 0.000 1.287 613 S CA -0.694 57.684 58.200 0.297 0.000 0.990 613 S CB 0.936 64.256 63.200 0.200 0.000 0.950 613 S HN 0.731 nan 8.310 nan 0.000 0.561 614 L N 1.712 123.184 121.223 0.415 0.000 2.013 614 L HA -0.070 4.270 4.340 0.000 0.000 0.212 614 L C 2.680 179.595 176.870 0.075 0.000 1.073 614 L CA 2.543 57.515 54.840 0.221 0.000 0.753 614 L CB -1.632 40.395 42.059 -0.053 0.000 0.890 614 L HN 0.957 nan 8.230 nan 0.000 0.432 615 A N -0.961 121.888 122.820 0.047 0.000 1.917 615 A HA -0.284 4.036 4.320 0.000 0.000 0.219 615 A C 2.141 179.713 177.584 -0.021 0.000 1.182 615 A CA 2.119 54.150 52.037 -0.010 0.000 0.633 615 A CB -0.667 18.321 19.000 -0.021 0.000 0.819 615 A HN 0.664 nan 8.150 nan 0.000 0.448 616 E N -0.260 119.962 120.200 0.037 0.000 2.028 616 E HA -0.142 4.208 4.350 0.000 0.000 0.191 616 E C 1.994 178.623 176.600 0.048 0.000 0.988 616 E CA 1.179 57.594 56.400 0.025 0.000 0.799 616 E CB -0.307 29.522 29.700 0.214 0.000 0.755 616 E HN 0.581 nan 8.360 nan 0.000 0.447 617 I N 1.184 121.818 120.570 0.106 0.000 2.145 617 I HA -0.335 3.835 4.170 0.000 0.000 0.244 617 I C 2.610 178.773 176.117 0.077 0.000 1.075 617 I CA 1.576 62.928 61.300 0.086 0.000 1.332 617 I CB -1.002 37.080 38.000 0.137 0.000 1.033 617 I HN 0.163 nan 8.210 nan 0.000 0.410 618 R N 0.021 120.544 120.500 0.037 0.000 2.081 618 R HA -0.235 4.105 4.340 0.000 0.000 0.235 618 R C 2.555 178.858 176.300 0.004 0.000 1.131 618 R CA 1.905 58.012 56.100 0.012 0.000 0.960 618 R CB -0.381 29.893 30.300 -0.043 0.000 0.856 618 R HN 0.445 nan 8.270 nan 0.000 0.436 619 H N -0.948 118.013 119.070 -0.182 0.000 2.293 619 H HA -0.153 4.403 4.556 0.000 0.000 0.300 619 H C 1.613 176.783 175.328 -0.263 0.000 1.082 619 H CA 2.495 58.346 56.048 -0.328 0.000 1.308 619 H CB -0.490 28.901 29.762 -0.618 0.000 1.375 619 H HN 0.281 nan 8.280 nan 0.000 0.495 620 W N 0.135 121.404 121.300 -0.052 0.000 2.425 620 W HA -0.061 4.599 4.660 0.000 0.000 0.277 620 W C 2.408 178.892 176.519 -0.058 0.000 1.231 620 W CA 0.108 57.373 57.345 -0.133 0.000 1.248 620 W CB 0.064 29.428 29.460 -0.159 0.000 1.117 620 W HN 0.249 nan 8.180 nan 0.000 0.568 621 L N 0.444 121.781 121.223 0.191 0.000 2.072 621 L HA -0.215 4.125 4.340 0.000 0.000 0.205 621 L C 2.300 179.306 176.870 0.228 0.000 1.079 621 L CA 1.656 56.627 54.840 0.219 0.000 0.752 621 L CB -0.546 41.623 42.059 0.183 0.000 0.906 621 L HN 0.100 nan 8.230 nan 0.000 0.436 622 Q N -0.310 119.556 119.800 0.109 0.000 2.077 622 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 622 Q C 2.083 178.133 176.000 0.084 0.000 0.989 622 Q CA 1.646 57.500 55.803 0.085 0.000 0.853 622 Q CB -0.042 28.690 28.738 -0.010 0.000 0.907 622 Q HN 0.418 nan 8.270 nan 0.000 0.418 623 I N 0.032 120.619 120.570 0.027 0.000 2.163 623 I HA -0.254 3.916 4.170 0.000 0.000 0.243 623 I C 2.159 178.360 176.117 0.139 0.000 1.085 623 I CA 1.316 62.655 61.300 0.064 0.000 1.347 623 I CB -1.329 36.731 38.000 0.099 0.000 1.044 623 I HN 0.174 nan 8.210 nan 0.000 0.408 624 F N 2.175 122.174 119.950 0.082 0.000 2.069 624 F HA -0.246 4.281 4.527 0.000 0.000 0.298 624 F C 2.549 178.414 175.800 0.109 0.000 1.113 624 F CA 2.423 60.470 58.000 0.078 0.000 1.214 624 F CB -0.423 38.603 39.000 0.043 0.000 0.978 624 F HN -0.011 nan 8.300 nan 0.000 0.474 625 V N -0.949 119.081 119.914 0.194 0.000 2.427 625 V HA -0.250 3.870 4.120 0.000 0.000 0.248 625 V C 2.190 178.358 176.094 0.124 0.000 1.051 625 V CA 1.823 64.240 62.300 0.195 0.000 1.048 625 V CB -1.407 30.671 31.823 0.426 0.000 0.666 625 V HN 0.501 nan 8.190 nan 0.000 0.456 626 Q N 1.292 121.163 119.800 0.119 0.000 2.050 626 Q HA -0.147 4.194 4.340 0.000 0.000 0.202 626 Q C 2.353 178.404 176.000 0.085 0.000 0.980 626 Q CA 2.165 58.035 55.803 0.112 0.000 0.840 626 Q CB -0.455 28.338 28.738 0.092 0.000 0.898 626 Q HN 0.662 nan 8.270 nan 0.000 0.424 627 R N -1.246 119.274 120.500 0.033 0.000 2.119 627 R HA -0.006 4.334 4.340 0.000 0.000 0.222 627 R C 2.104 178.389 176.300 -0.025 0.000 1.088 627 R CA 1.087 57.242 56.100 0.092 0.000 0.984 627 R CB -0.291 30.070 30.300 0.102 0.000 0.884 627 R HN 0.314 nan 8.270 nan 0.000 0.447 628 F N -0.250 119.430 119.950 -0.451 0.000 2.187 628 F HA -0.088 4.439 4.527 0.000 0.000 0.295 628 F C 1.405 176.949 175.800 -0.427 0.000 1.091 628 F CA 1.189 58.800 58.000 -0.649 0.000 1.308 628 F CB -0.004 38.187 39.000 -1.348 0.000 1.030 628 F HN -0.123 nan 8.300 nan 0.000 0.487 629 Y N -1.316 118.781 120.300 -0.338 0.000 2.490 629 Y HA 0.069 4.619 4.550 0.000 0.000 0.285 629 Y C 2.612 178.389 175.900 -0.205 0.000 1.117 629 Y CA 0.996 58.877 58.100 -0.364 0.000 1.262 629 Y CB -0.356 37.743 38.460 -0.601 0.000 1.043 629 Y HN 0.169 nan 8.280 nan 0.000 0.553 630 S N -1.605 114.123 115.700 0.046 0.000 2.979 630 S HA -0.022 4.448 4.470 0.000 0.000 0.243 630 S C 1.689 176.368 174.600 0.130 0.000 1.036 630 S CA -0.084 58.178 58.200 0.102 0.000 0.846 630 S CB -0.803 62.486 63.200 0.149 0.000 0.806 630 S HN 0.235 nan 8.310 nan 0.000 0.568 631 F N 3.318 123.275 119.950 0.012 0.000 2.128 631 F HA 0.079 4.606 4.527 0.000 0.000 0.295 631 F C 2.395 178.266 175.800 0.119 0.000 1.100 631 F CA 2.173 60.215 58.000 0.071 0.000 1.260 631 F CB -0.512 38.529 39.000 0.070 0.000 1.009 631 F HN 0.390 nan 8.300 nan 0.000 0.476 632 S N -1.068 114.511 115.700 -0.202 0.000 2.501 632 S HA -0.049 4.421 4.470 0.000 0.000 0.220 632 S C 1.791 176.129 174.600 -0.437 0.000 0.997 632 S CA 0.451 58.402 58.200 -0.414 0.000 0.919 632 S CB -0.315 62.769 63.200 -0.193 0.000 0.778 632 S HN 0.411 nan 8.310 nan 0.000 0.523 633 Q N 2.310 121.948 119.800 -0.269 0.000 2.112 633 Q HA -0.146 4.195 4.340 0.000 0.000 0.206 633 Q C 1.745 177.620 176.000 -0.209 0.000 0.987 633 Q CA 2.176 57.860 55.803 -0.198 0.000 0.858 633 Q CB -1.044 27.628 28.738 -0.110 0.000 0.905 633 Q HN 0.766 nan 8.270 nan 0.000 0.420 634 F N -0.125 119.638 119.950 -0.313 0.000 2.192 634 F HA -0.127 4.400 4.527 0.000 0.000 0.301 634 F C 1.483 177.035 175.800 -0.413 0.000 1.079 634 F CA 1.492 59.272 58.000 -0.366 0.000 1.303 634 F CB -0.462 38.266 39.000 -0.453 0.000 1.024 634 F HN -0.020 nan 8.300 nan 0.000 0.494 635 K N 0.337 119.984 120.400 -1.255 0.000 2.103 635 K HA -0.034 4.286 4.320 0.000 0.000 0.204 635 K C 2.270 178.705 176.600 -0.276 0.000 1.052 635 K CA 1.152 56.949 56.287 -0.817 0.000 0.945 635 K CB -0.276 31.725 32.500 -0.832 0.000 0.722 635 K HN 0.269 nan 8.250 nan 0.000 0.443 636 R N 0.454 120.804 120.500 -0.249 0.000 2.189 636 R HA -0.024 4.316 4.340 0.000 0.000 0.218 636 R C 2.418 178.687 176.300 -0.053 0.000 1.074 636 R CA 0.774 56.812 56.100 -0.103 0.000 0.991 636 R CB -0.034 30.227 30.300 -0.066 0.000 0.883 636 R HN 0.054 nan 8.270 nan 0.000 0.457 637 S N -0.020 115.636 115.700 -0.074 0.000 2.383 637 S HA -0.007 4.463 4.470 0.000 0.000 0.227 637 S C 0.967 175.576 174.600 0.014 0.000 1.026 637 S CA 1.052 59.236 58.200 -0.028 0.000 0.981 637 S CB 0.117 63.299 63.200 -0.030 0.000 0.818 637 S HN 0.385 nan 8.310 nan 0.000 0.472 638 A N 1.473 124.328 122.820 0.059 0.000 3.245 638 A HA 0.573 4.893 4.320 0.000 0.000 0.282 638 A C -0.511 177.105 177.584 0.053 0.000 1.417 638 A CA -0.432 51.657 52.037 0.087 0.000 1.149 638 A CB -0.264 18.846 19.000 0.184 0.000 1.155 638 A HN 0.417 nan 8.150 nan 0.000 0.602 639 L N 1.572 122.806 121.223 0.019 0.000 2.295 639 L HA 0.600 4.940 4.340 0.000 0.000 0.285 639 L C -2.255 174.608 176.870 -0.011 0.000 1.035 639 L CA -1.646 53.193 54.840 -0.002 0.000 0.806 639 L CB 1.044 43.095 42.059 -0.013 0.000 1.214 639 L HN 0.235 nan 8.230 nan 0.000 0.426 640 P HA 0.121 nan 4.420 nan 0.000 0.271 640 P C -1.062 176.192 177.300 -0.076 0.000 1.238 640 P CA -0.261 62.824 63.100 -0.025 0.000 0.794 640 P CB 0.339 32.024 31.700 -0.026 0.000 0.959 641 N N -0.517 118.135 118.700 -0.081 0.000 2.444 641 N HA 0.546 5.286 4.740 0.000 0.000 0.255 641 N C 0.354 175.476 175.510 -0.645 0.000 1.255 641 N CA 0.375 53.320 53.050 -0.175 0.000 0.933 641 N CB 0.264 38.791 38.487 0.067 0.000 1.143 641 N HN 0.650 nan 8.380 nan 0.000 0.453 642 G N 0.013 108.433 108.800 -0.633 0.000 2.384 642 G HA2 0.298 4.258 3.960 0.000 0.000 0.300 642 G HA3 0.298 4.258 3.960 0.000 0.000 0.300 642 G C -3.183 171.586 174.900 -0.219 0.000 1.582 642 G CA -0.849 43.808 45.100 -0.739 0.000 0.875 642 G HN 0.418 nan 8.290 nan 0.000 0.628 643 P HA 0.381 nan 4.420 nan 0.000 0.282 643 P C -0.362 176.934 177.300 -0.008 0.000 1.249 643 P CA -0.541 62.569 63.100 0.017 0.000 0.806 643 P CB 1.639 33.381 31.700 0.071 0.000 0.984 644 K N 1.365 121.769 120.400 0.006 0.000 2.382 644 K HA 0.166 4.486 4.320 0.000 0.000 0.275 644 K C 0.079 176.689 176.600 0.017 0.000 1.009 644 K CA -0.193 56.100 56.287 0.009 0.000 0.970 644 K CB 0.454 32.966 32.500 0.020 0.000 0.934 644 K HN 0.158 nan 8.250 nan 0.000 0.479 645 V N 1.665 121.589 119.914 0.018 0.000 3.058 645 V HA 0.028 4.148 4.120 0.000 0.000 0.233 645 V C 0.321 176.456 176.094 0.069 0.000 1.255 645 V CA 0.407 62.724 62.300 0.029 0.000 1.267 645 V CB 0.997 32.826 31.823 0.010 0.000 1.049 645 V HN 0.847 nan 8.190 nan 0.000 0.486 646 S N 0.168 115.919 115.700 0.086 0.000 2.489 646 S HA 0.232 4.702 4.470 0.000 0.000 0.291 646 S C 1.404 176.060 174.600 0.094 0.000 1.151 646 S CA -0.357 57.934 58.200 0.152 0.000 1.082 646 S CB 0.764 64.122 63.200 0.264 0.000 1.019 646 S HN 0.665 nan 8.310 nan 0.000 0.492 647 H N 3.595 122.738 119.070 0.123 0.000 2.460 647 H HA -0.071 4.485 4.556 0.000 0.000 0.297 647 H C 1.785 177.116 175.328 0.004 0.000 1.103 647 H CA 1.672 57.760 56.048 0.067 0.000 1.292 647 H CB -1.041 28.766 29.762 0.076 0.000 1.376 647 H HN 0.715 nan 8.280 nan 0.000 0.531 648 G N 0.425 108.835 108.800 -0.649 0.000 2.448 648 G HA2 0.215 4.175 3.960 0.000 0.000 0.219 648 G HA3 0.215 4.175 3.960 0.000 0.000 0.219 648 G C 0.729 175.386 174.900 -0.405 0.000 1.127 648 G CA 0.796 45.483 45.100 -0.689 0.000 0.766 648 G HN 0.961 nan 8.290 nan 0.000 0.552 649 G N -2.325 106.400 108.800 -0.126 0.000 2.347 649 G HA2 0.554 4.514 3.960 0.000 0.000 0.477 649 G HA3 0.554 4.514 3.960 0.000 0.000 0.477 649 G C -0.683 174.213 174.900 -0.007 0.000 1.349 649 G CA -0.198 44.857 45.100 -0.074 0.000 1.000 649 G HN 1.214 nan 8.290 nan 0.000 0.605 650 A N -1.387 121.432 122.820 -0.002 0.000 2.486 650 A HA 0.931 5.251 4.320 0.000 0.000 0.277 650 A C 0.076 177.676 177.584 0.027 0.000 1.282 650 A CA -0.358 51.678 52.037 -0.002 0.000 0.784 650 A CB 1.061 20.063 19.000 0.003 0.000 1.350 650 A HN 1.388 nan 8.150 nan 0.000 0.454 651 L N 0.520 121.765 121.223 0.036 0.000 3.267 651 L HA 0.231 4.571 4.340 0.000 0.000 0.289 651 L C 0.754 177.694 176.870 0.117 0.000 1.260 651 L CA 0.123 55.018 54.840 0.091 0.000 1.034 651 L CB 0.864 42.951 42.059 0.047 0.000 1.413 651 L HN 0.612 nan 8.230 nan 0.000 0.594 652 S N 1.876 117.624 115.700 0.080 0.000 2.533 652 S HA 0.156 4.626 4.470 0.000 0.000 0.282 652 S C -1.166 173.479 174.600 0.075 0.000 1.304 652 S CA -0.958 57.275 58.200 0.054 0.000 1.063 652 S CB 0.776 63.993 63.200 0.027 0.000 0.881 652 S HN 0.097 nan 8.310 nan 0.000 0.493 653 P HA 0.048 nan 4.420 nan 0.000 0.241 653 P C 0.438 177.740 177.300 0.003 0.000 1.191 653 P CA 0.451 63.561 63.100 0.017 0.000 0.771 653 P CB 0.081 31.779 31.700 -0.004 0.000 0.929 654 R N -0.775 119.733 120.500 0.014 0.000 2.317 654 R HA 0.259 4.599 4.340 0.000 0.000 0.208 654 R C 1.634 177.946 176.300 0.019 0.000 0.914 654 R CA 0.564 56.670 56.100 0.011 0.000 1.060 654 R CB 0.191 30.499 30.300 0.013 0.000 1.015 654 R HN 0.243 nan 8.270 nan 0.000 0.498 655 G N 0.219 109.039 108.800 0.033 0.000 2.890 655 G HA2 -0.050 3.910 3.960 0.000 0.000 0.199 655 G HA3 -0.050 3.910 3.960 0.000 0.000 0.199 655 G C -0.119 174.821 174.900 0.067 0.000 1.729 655 G CA -0.183 44.943 45.100 0.043 0.000 0.767 655 G HN -0.045 nan 8.290 nan 0.000 0.804 656 D N -1.034 119.427 120.400 0.101 0.000 2.317 656 D HA 0.080 4.720 4.640 0.000 0.000 0.211 656 D C -0.018 176.457 176.300 0.293 0.000 0.966 656 D CA 0.550 54.638 54.000 0.147 0.000 0.876 656 D CB 0.453 41.323 40.800 0.117 0.000 0.927 656 D HN 0.176 nan 8.370 nan 0.000 0.519 657 W N 1.601 122.903 121.300 0.003 0.000 2.591 657 W HA 0.376 5.036 4.660 0.000 0.000 0.311 657 W C -1.198 175.316 176.519 -0.007 0.000 1.003 657 W CA -0.751 56.602 57.345 0.013 0.000 1.332 657 W CB 0.618 30.098 29.460 0.034 0.000 1.272 657 W HN -0.358 nan 8.180 nan 0.000 0.412 658 R N 3.764 123.990 120.500 -0.455 0.000 2.229 658 R HA 0.708 5.048 4.340 0.000 0.000 0.332 658 R C -0.269 175.570 176.300 -0.769 0.000 0.989 658 R CA -0.156 55.670 56.100 -0.455 0.000 0.842 658 R CB 1.752 31.899 30.300 -0.255 0.000 1.119 658 R HN 0.369 nan 8.270 nan 0.000 0.456 659 A N 4.047 126.500 122.820 -0.613 0.000 2.594 659 A HA 0.679 4.999 4.320 0.000 0.000 0.291 659 A C -2.685 174.760 177.584 -0.231 0.000 1.105 659 A CA -1.653 50.081 52.037 -0.505 0.000 0.694 659 A CB 1.277 19.916 19.000 -0.602 0.000 1.291 659 A HN 0.438 nan 8.150 nan 0.000 0.410 660 P HA 0.332 nan 4.420 nan 0.000 0.271 660 P C 0.368 177.635 177.300 -0.055 0.000 1.218 660 P CA -0.043 63.012 63.100 -0.074 0.000 0.780 660 P CB 0.990 32.669 31.700 -0.035 0.000 0.901 661 S N 0.404 116.078 115.700 -0.043 0.000 2.603 661 S HA -0.026 4.444 4.470 0.000 0.000 0.220 661 S C 0.470 175.055 174.600 -0.025 0.000 0.967 661 S CA 0.415 58.602 58.200 -0.023 0.000 0.920 661 S CB -0.481 62.714 63.200 -0.008 0.000 0.773 661 S HN 0.650 nan 8.310 nan 0.000 0.529 662 D N 0.224 120.612 120.400 -0.021 0.000 2.819 662 D HA 0.233 4.873 4.640 0.000 0.000 0.326 662 D C -0.163 176.143 176.300 0.010 0.000 1.408 662 D CA -0.179 53.810 54.000 -0.019 0.000 0.811 662 D CB -0.303 40.477 40.800 -0.032 0.000 1.148 662 D HN 0.234 nan 8.370 nan 0.000 0.457 663 M N 0.696 120.316 119.600 0.033 0.000 2.456 663 M HA 0.395 4.875 4.480 0.000 0.000 0.324 663 M C -0.437 175.922 176.300 0.099 0.000 1.124 663 M CA -0.599 54.743 55.300 0.069 0.000 0.959 663 M CB 2.209 34.861 32.600 0.086 0.000 1.692 663 M HN -0.007 nan 8.290 nan 0.000 0.444 664 S N 2.281 118.054 115.700 0.122 0.000 2.617 664 S HA 0.612 5.082 4.470 0.000 0.000 0.269 664 S C 0.348 175.091 174.600 0.239 0.000 1.292 664 S CA -0.031 58.258 58.200 0.148 0.000 1.010 664 S CB 1.313 64.585 63.200 0.121 0.000 0.944 664 S HN 0.778 nan 8.310 nan 0.000 0.536 665 A N 3.493 126.468 122.820 0.257 0.000 2.545 665 A HA 0.308 4.629 4.320 0.000 0.000 0.277 665 A C 1.762 179.605 177.584 0.432 0.000 1.301 665 A CA -0.273 52.012 52.037 0.413 0.000 0.935 665 A CB -0.349 18.823 19.000 0.285 0.000 1.093 665 A HN 0.948 nan 8.150 nan 0.000 0.519 666 R N -0.095 120.561 120.500 0.259 0.000 2.096 666 R HA -0.185 4.155 4.340 0.000 0.000 0.240 666 R C 1.515 177.879 176.300 0.107 0.000 1.139 666 R CA 1.956 58.147 56.100 0.151 0.000 0.952 666 R CB -0.276 30.074 30.300 0.083 0.000 0.854 666 R HN 0.425 nan 8.270 nan 0.000 0.436 667 I N 0.129 120.710 120.570 0.018 0.000 2.151 667 I HA -0.327 3.844 4.170 0.000 0.000 0.243 667 I C 2.191 178.155 176.117 -0.255 0.000 1.080 667 I CA 1.283 62.422 61.300 -0.268 0.000 1.339 667 I CB -1.236 36.375 38.000 -0.648 0.000 1.039 667 I HN 0.395 nan 8.210 nan 0.000 0.409 668 W N 0.130 121.431 121.300 0.002 0.000 2.409 668 W HA -0.060 4.600 4.660 0.000 0.000 0.299 668 W C 2.479 179.053 176.519 0.092 0.000 1.203 668 W CA 0.384 57.763 57.345 0.057 0.000 1.298 668 W CB -0.814 28.704 29.460 0.096 0.000 1.127 668 W HN 0.150 nan 8.180 nan 0.000 0.528 669 L N 0.172 121.596 121.223 0.336 0.000 2.079 669 L HA -0.255 4.085 4.340 0.000 0.000 0.210 669 L C 2.065 179.005 176.870 0.116 0.000 1.081 669 L CA 1.694 56.653 54.840 0.199 0.000 0.752 669 L CB -0.934 41.222 42.059 0.162 0.000 0.896 669 L HN -0.098 nan 8.230 nan 0.000 0.433 670 D N -0.824 119.622 120.400 0.077 0.000 2.144 670 D HA -0.216 4.424 4.640 0.000 0.000 0.200 670 D C 2.284 178.595 176.300 0.019 0.000 0.978 670 D CA 0.821 54.837 54.000 0.027 0.000 0.833 670 D CB 0.092 40.886 40.800 -0.009 0.000 0.961 670 D HN 0.132 nan 8.370 nan 0.000 0.470 671 Q N 0.079 119.890 119.800 0.019 0.000 2.084 671 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 671 Q C 2.402 178.440 176.000 0.064 0.000 0.978 671 Q CA 0.934 56.751 55.803 0.024 0.000 0.844 671 Q CB -0.229 28.517 28.738 0.013 0.000 0.898 671 Q HN 0.451 nan 8.270 nan 0.000 0.426 672 I N 1.139 121.770 120.570 0.101 0.000 2.127 672 I HA -0.311 3.859 4.170 0.000 0.000 0.241 672 I C 1.998 178.135 176.117 0.033 0.000 1.075 672 I CA 1.407 62.758 61.300 0.086 0.000 1.334 672 I CB -0.380 37.685 38.000 0.110 0.000 1.040 672 I HN 0.135 nan 8.210 nan 0.000 0.405 673 D N 0.662 121.080 120.400 0.029 0.000 2.116 673 D HA -0.189 4.451 4.640 0.000 0.000 0.193 673 D C 2.368 178.664 176.300 -0.007 0.000 0.998 673 D CA 1.444 55.448 54.000 0.006 0.000 0.836 673 D CB -0.220 40.586 40.800 0.010 0.000 0.951 673 D HN 0.344 nan 8.370 nan 0.000 0.449 674 R N 0.045 120.544 120.500 -0.002 0.000 2.119 674 R HA -0.032 4.308 4.340 0.000 0.000 0.222 674 R C 1.721 178.015 176.300 -0.010 0.000 1.088 674 R CA 0.731 56.826 56.100 -0.009 0.000 0.984 674 R CB 0.215 30.508 30.300 -0.011 0.000 0.884 674 R HN 0.076 nan 8.270 nan 0.000 0.447 675 E N -0.294 119.908 120.200 0.003 0.000 2.389 675 E HA 0.095 4.446 4.350 0.000 0.000 0.199 675 E C -0.047 176.555 176.600 0.004 0.000 0.978 675 E CA 0.302 56.716 56.400 0.023 0.000 0.912 675 E CB 0.761 30.497 29.700 0.060 0.000 0.907 675 E HN -0.056 nan 8.360 nan 0.000 0.494 676 V N 3.944 123.814 119.914 -0.073 0.000 2.370 676 V HA 0.287 4.407 4.120 0.000 0.000 0.283 676 V C -2.340 173.586 176.094 -0.281 0.000 1.023 676 V CA -2.105 60.031 62.300 -0.273 0.000 0.857 676 V CB 1.392 33.085 31.823 -0.218 0.000 0.985 676 V HN -0.063 nan 8.190 nan 0.000 0.443 677 P HA 0.173 nan 4.420 nan 0.000 0.267 677 P C 0.288 177.463 177.300 -0.209 0.000 1.200 677 P CA -0.262 62.687 63.100 -0.252 0.000 0.772 677 P CB 0.798 32.336 31.700 -0.270 0.000 0.855 678 K N 0.519 120.848 120.400 -0.118 0.000 2.362 678 K HA 0.138 4.458 4.320 0.000 0.000 0.200 678 K C 1.216 177.772 176.600 -0.074 0.000 1.046 678 K CA 0.880 57.116 56.287 -0.085 0.000 0.952 678 K CB -0.257 32.211 32.500 -0.054 0.000 0.753 678 K HN 0.673 nan 8.250 nan 0.000 0.466 679 G N 0.000 108.757 108.800 -0.071 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 45.081 45.100 -0.032 0.000 0.502 679 G HN 0.000 nan 8.290 nan 0.000 0.925