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_D 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 PGFXXXXXXX NNAIKLARAL GVTFSEIDIG DTARLMLHTI GHPYSVGEKV DATA SEQUENCE YDVTFENVQA GLRTDYLFRI ANQRGGIVLG TGDLSELALG WSTYGVGDQM DATA SEQUENCE SHYNVNAGVP KTLIQHLIRW VISAGEFGEK VGEVLQSVLD TEXXXXXXXX DATA SEQUENCE XXXXXXXXEA 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 0.000 174.597 174.600 -0.005 0.000 1.055 0 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 0 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 1 M N 2.459 122.050 119.600 -0.015 0.000 2.252 1 M HA 0.387 4.867 4.480 -0.000 0.000 0.321 1 M C -0.082 176.221 176.300 0.005 0.000 1.070 1 M CA 0.299 55.579 55.300 -0.034 0.000 1.143 1 M CB -0.071 32.473 32.600 -0.094 0.000 1.498 1 M HN 0.263 nan 8.290 nan 0.000 0.445 2 N N 2.317 121.020 118.700 0.005 0.000 2.402 2 N HA 0.023 4.763 4.740 -0.000 0.000 0.259 2 N C -0.177 175.359 175.510 0.043 0.000 1.167 2 N CA -0.117 52.971 53.050 0.064 0.000 0.949 2 N CB -0.048 38.488 38.487 0.082 0.000 1.212 2 N HN 0.781 nan 8.380 nan 0.000 0.493 3 F N 4.394 124.275 119.950 -0.115 0.000 2.269 3 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 3 F C 0.526 176.297 175.800 -0.049 0.000 1.082 3 F CA 1.368 59.270 58.000 -0.163 0.000 1.360 3 F CB 0.038 38.792 39.000 -0.410 0.000 1.041 3 F HN 0.549 nan 8.300 nan 0.000 0.512 4 Y N -0.768 119.658 120.300 0.210 0.000 2.466 4 Y HA 0.193 4.743 4.550 -0.000 0.000 0.272 4 Y C 1.428 177.500 175.900 0.287 0.000 1.169 4 Y CA 0.290 58.559 58.100 0.281 0.000 1.285 4 Y CB -0.664 37.900 38.460 0.175 0.000 1.078 4 Y HN -0.071 nan 8.280 nan 0.000 0.523 5 S N 0.831 116.648 115.700 0.196 0.000 2.455 5 S HA 0.415 4.885 4.470 -0.000 0.000 0.278 5 S C 1.380 175.975 174.600 -0.008 0.000 1.216 5 S CA 0.030 58.301 58.200 0.118 0.000 1.055 5 S CB 0.861 64.101 63.200 0.067 0.000 0.939 5 S HN 0.399 nan 8.310 nan 0.000 0.494 6 A N 5.337 128.187 122.820 0.050 0.000 2.015 6 A HA 0.034 4.354 4.320 -0.000 0.000 0.219 6 A C 1.492 179.071 177.584 -0.008 0.000 1.163 6 A CA 1.071 53.086 52.037 -0.036 0.000 0.646 6 A CB -0.745 18.156 19.000 -0.166 0.000 0.806 6 A HN 0.928 nan 8.150 nan 0.000 0.448 7 Y N 0.124 120.437 120.300 0.022 0.000 2.242 7 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 7 Y C 2.599 178.450 175.900 -0.082 0.000 1.137 7 Y CA 1.833 59.930 58.100 -0.003 0.000 1.181 7 Y CB -0.263 38.192 38.460 -0.009 0.000 0.989 7 Y HN 0.411 nan 8.280 nan 0.000 0.527 8 Q N -0.969 118.819 119.800 -0.019 0.000 2.437 8 Q HA -0.138 4.202 4.340 -0.000 0.000 0.210 8 Q C 0.640 176.362 176.000 -0.462 0.000 0.972 8 Q CA 0.775 56.449 55.803 -0.215 0.000 0.903 8 Q CB -0.032 28.562 28.738 -0.240 0.000 0.967 8 Q HN 0.635 nan 8.270 nan 0.000 0.486 9 H N -1.304 117.588 119.070 -0.296 0.000 2.505 9 H HA 0.196 4.752 4.556 -0.000 0.000 0.289 9 H C 0.933 175.990 175.328 -0.451 0.000 1.052 9 H CA 0.644 56.456 56.048 -0.394 0.000 1.156 9 H CB 1.048 30.456 29.762 -0.589 0.000 1.507 9 H HN 0.403 nan 8.280 nan 0.000 0.548 10 G N 0.962 109.610 108.800 -0.254 0.000 2.132 10 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.234 10 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.234 10 G C -0.118 174.528 174.900 -0.423 0.000 0.989 10 G CA -0.324 44.591 45.100 -0.308 0.000 0.676 10 G HN 0.218 nan 8.290 nan 0.000 0.522 11 F N -0.810 119.015 119.950 -0.208 0.000 2.382 11 F HA 0.636 5.163 4.527 -0.000 0.000 0.331 11 F C 0.712 176.293 175.800 -0.366 0.000 1.121 11 F CA -0.393 57.441 58.000 -0.276 0.000 1.183 11 F CB 1.896 40.706 39.000 -0.316 0.000 1.207 11 F HN 0.062 nan 8.300 nan 0.000 0.555 12 V N 3.853 123.686 119.914 -0.136 0.000 2.577 12 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 12 V C -0.754 175.192 176.094 -0.246 0.000 1.042 12 V CA -0.898 61.259 62.300 -0.239 0.000 0.872 12 V CB 1.629 33.282 31.823 -0.283 0.000 0.998 12 V HN 0.762 nan 8.190 nan 0.000 0.423 13 R N 4.913 125.264 120.500 -0.248 0.000 2.242 13 R HA 0.585 4.925 4.340 -0.000 0.000 0.334 13 R C -0.589 175.651 176.300 -0.099 0.000 1.071 13 R CA -0.068 55.946 56.100 -0.144 0.000 0.922 13 R CB 0.945 31.199 30.300 -0.078 0.000 1.023 13 R HN 0.763 nan 8.270 nan 0.000 0.458 14 V N 1.219 121.067 119.914 -0.110 0.000 2.769 14 V HA 0.960 5.080 4.120 -0.000 0.000 0.312 14 V C -0.650 175.398 176.094 -0.076 0.000 1.058 14 V CA -0.852 61.390 62.300 -0.096 0.000 0.952 14 V CB 1.815 33.580 31.823 -0.097 0.000 1.019 14 V HN 0.811 nan 8.190 nan 0.000 0.445 15 A N 2.905 125.677 122.820 -0.079 0.000 2.398 15 A HA 0.971 5.291 4.320 -0.000 0.000 0.301 15 A C -0.209 177.289 177.584 -0.144 0.000 1.041 15 A CA -0.243 51.734 52.037 -0.100 0.000 0.711 15 A CB 1.559 20.500 19.000 -0.098 0.000 1.240 15 A HN 2.272 nan 8.150 nan 0.000 0.420 16 A N 1.146 123.885 122.820 -0.134 0.000 2.288 16 A HA 0.630 4.950 4.320 -0.000 0.000 0.320 16 A C -0.399 177.064 177.584 -0.202 0.000 1.217 16 A CA -0.348 51.596 52.037 -0.156 0.000 0.840 16 A CB 0.158 19.130 19.000 -0.047 0.000 1.179 16 A HN 1.083 nan 8.150 nan 0.000 0.504 17 C N 0.990 120.078 119.300 -0.352 0.000 2.455 17 C HA 0.819 5.279 4.460 -0.000 0.000 0.320 17 C C 0.531 175.448 174.990 -0.122 0.000 1.226 17 C CA -0.482 58.336 59.018 -0.334 0.000 1.569 17 C CB 1.368 28.635 27.740 -0.787 0.000 2.200 17 C HN 0.867 nan 8.230 nan 0.000 0.491 18 T N 2.950 117.530 114.554 0.044 0.000 2.792 18 T HA 0.527 4.877 4.350 -0.000 0.000 0.280 18 T C -0.288 174.574 174.700 0.269 0.000 0.990 18 T CA -0.239 61.962 62.100 0.168 0.000 0.960 18 T CB 0.024 68.954 68.868 0.103 0.000 0.939 18 T HN 0.905 nan 8.240 nan 0.000 0.439 19 H N 2.559 121.728 119.070 0.165 0.000 2.748 19 H HA 0.456 5.012 4.556 -0.000 0.000 0.315 19 H C -0.776 174.630 175.328 0.130 0.000 1.429 19 H CA -0.797 55.356 56.048 0.175 0.000 1.444 19 H CB 0.208 30.086 29.762 0.193 0.000 1.827 19 H HN 0.665 nan 8.280 nan 0.000 0.754 20 H N 0.172 119.108 119.070 -0.225 0.000 2.782 20 H HA 0.259 4.815 4.556 -0.000 0.000 0.285 20 H C -0.614 174.414 175.328 -0.500 0.000 1.093 20 H CA -0.146 55.728 56.048 -0.290 0.000 1.410 20 H CB 0.113 29.816 29.762 -0.099 0.000 1.439 20 H HN 0.553 nan 8.280 nan 0.000 0.469 21 T N 5.282 119.285 114.554 -0.919 0.000 2.779 21 T HA 0.124 4.474 4.350 -0.000 0.000 0.296 21 T C -0.072 174.252 174.700 -0.627 0.000 0.938 21 T CA -0.177 61.518 62.100 -0.675 0.000 1.119 21 T CB 0.191 68.744 68.868 -0.524 0.000 0.891 21 T HN 0.644 nan 8.240 nan 0.000 0.526 22 T N 5.362 119.730 114.554 -0.309 0.000 2.929 22 T HA 0.376 4.726 4.350 -0.000 0.000 0.331 22 T C 0.940 175.569 174.700 -0.118 0.000 1.120 22 T CA -0.704 61.295 62.100 -0.169 0.000 0.973 22 T CB -0.404 68.440 68.868 -0.040 0.000 1.036 22 T HN 0.608 nan 8.240 nan 0.000 0.502 23 I N -0.324 120.166 120.570 -0.133 0.000 2.752 23 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 23 I C 1.203 177.284 176.117 -0.060 0.000 1.188 23 I CA 0.181 61.421 61.300 -0.101 0.000 1.427 23 I CB -0.072 37.864 38.000 -0.107 0.000 1.365 23 I HN 0.765 nan 8.210 nan 0.000 0.585 24 G N 3.666 112.437 108.800 -0.049 0.000 2.168 24 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.263 24 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.263 24 G C -0.028 174.856 174.900 -0.026 0.000 0.977 24 G CA 0.525 45.604 45.100 -0.034 0.000 0.659 24 G HN 0.990 nan 8.290 nan 0.000 0.533 25 D N -0.382 120.002 120.400 -0.027 0.000 2.468 25 D HA 0.449 5.089 4.640 -0.000 0.000 0.272 25 D C -1.171 175.121 176.300 -0.014 0.000 1.221 25 D CA -1.760 52.229 54.000 -0.018 0.000 0.860 25 D CB 1.130 41.922 40.800 -0.013 0.000 1.190 25 D HN 0.108 nan 8.370 nan 0.000 0.509 26 P HA -0.057 nan 4.420 nan 0.000 0.217 26 P C 1.235 178.522 177.300 -0.021 0.000 1.150 26 P CA 0.975 64.063 63.100 -0.020 0.000 0.832 26 P CB 0.327 32.013 31.700 -0.023 0.000 0.787 27 A N -0.222 122.588 122.820 -0.017 0.000 2.024 27 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 27 A C 2.223 179.801 177.584 -0.010 0.000 1.164 27 A CA 2.023 54.050 52.037 -0.017 0.000 0.643 27 A CB -1.399 17.593 19.000 -0.013 0.000 0.806 27 A HN 0.230 nan 8.150 nan 0.000 0.451 28 A N -0.092 122.728 122.820 0.001 0.000 1.911 28 A HA -0.025 4.295 4.320 -0.000 0.000 0.212 28 A C 1.820 179.427 177.584 0.038 0.000 1.189 28 A CA 1.179 53.229 52.037 0.021 0.000 0.639 28 A CB -0.525 18.492 19.000 0.028 0.000 0.839 28 A HN 0.633 nan 8.150 nan 0.000 0.449 29 N N 0.657 119.378 118.700 0.035 0.000 2.120 29 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 29 N C 1.935 177.440 175.510 -0.008 0.000 1.024 29 N CA 1.203 54.302 53.050 0.081 0.000 0.852 29 N CB -0.264 38.267 38.487 0.074 0.000 1.003 29 N HN 0.463 nan 8.380 nan 0.000 0.424 30 A N 1.124 123.910 122.820 -0.057 0.000 1.917 30 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 30 A C 2.296 179.829 177.584 -0.084 0.000 1.182 30 A CA 1.924 53.898 52.037 -0.105 0.000 0.633 30 A CB -0.957 17.994 19.000 -0.082 0.000 0.819 30 A HN 0.374 nan 8.150 nan 0.000 0.448 31 A N -1.141 121.660 122.820 -0.032 0.000 1.968 31 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 31 A C 2.433 180.019 177.584 0.004 0.000 1.169 31 A CA 1.991 54.019 52.037 -0.015 0.000 0.638 31 A CB -0.770 18.231 19.000 0.002 0.000 0.812 31 A HN 0.588 nan 8.150 nan 0.000 0.446 32 S N -0.432 115.290 115.700 0.036 0.000 2.335 32 S HA -0.129 4.341 4.470 -0.000 0.000 0.216 32 S C 1.938 176.562 174.600 0.040 0.000 1.032 32 S CA 1.593 59.847 58.200 0.089 0.000 1.000 32 S CB -0.681 62.637 63.200 0.197 0.000 0.928 32 S HN 0.311 nan 8.310 nan 0.000 0.434 33 V N 2.562 122.406 119.914 -0.116 0.000 2.236 33 V HA -0.243 3.877 4.120 -0.000 0.000 0.255 33 V C 2.551 178.526 176.094 -0.199 0.000 1.068 33 V CA 2.321 64.352 62.300 -0.447 0.000 1.044 33 V CB -1.003 30.332 31.823 -0.814 0.000 0.653 33 V HN 0.613 nan 8.190 nan 0.000 0.448 34 L N 0.528 121.673 121.223 -0.130 0.000 2.042 34 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 34 L C 2.064 178.939 176.870 0.008 0.000 1.076 34 L CA 2.727 57.532 54.840 -0.057 0.000 0.749 34 L CB -0.910 41.116 42.059 -0.056 0.000 0.893 34 L HN 0.472 nan 8.230 nan 0.000 0.432 35 D N -1.296 119.119 120.400 0.025 0.000 2.144 35 D HA -0.218 4.422 4.640 -0.000 0.000 0.199 35 D C 2.123 178.479 176.300 0.092 0.000 0.984 35 D CA 1.646 55.676 54.000 0.050 0.000 0.834 35 D CB -0.008 40.820 40.800 0.048 0.000 0.955 35 D HN 0.411 nan 8.370 nan 0.000 0.465 36 M N -0.198 119.491 119.600 0.149 0.000 2.200 36 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 36 M C 2.333 178.773 176.300 0.233 0.000 1.066 36 M CA 1.117 56.547 55.300 0.216 0.000 1.127 36 M CB -0.124 32.694 32.600 0.364 0.000 1.379 36 M HN 0.079 nan 8.290 nan 0.000 0.420 37 A N 0.716 123.696 122.820 0.268 0.000 1.978 37 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 37 A C 2.150 179.821 177.584 0.145 0.000 1.170 37 A CA 1.597 53.762 52.037 0.214 0.000 0.636 37 A CB -0.595 18.497 19.000 0.153 0.000 0.810 37 A HN 0.452 nan 8.150 nan 0.000 0.448 38 R N -0.863 119.700 120.500 0.104 0.000 2.153 38 R HA 0.087 4.427 4.340 -0.000 0.000 0.218 38 R C 2.363 178.743 176.300 0.134 0.000 1.072 38 R CA 0.881 57.033 56.100 0.087 0.000 0.990 38 R CB -0.289 30.029 30.300 0.032 0.000 0.889 38 R HN 0.505 nan 8.270 nan 0.000 0.452 39 A N 0.392 123.279 122.820 0.112 0.000 1.929 39 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 39 A C 2.243 179.882 177.584 0.093 0.000 1.176 39 A CA 0.945 53.038 52.037 0.094 0.000 0.628 39 A CB -0.593 18.452 19.000 0.075 0.000 0.816 39 A HN 0.382 nan 8.150 nan 0.000 0.444 40 C N -1.491 117.870 119.300 0.102 0.000 2.432 40 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 40 C C 2.622 177.676 174.990 0.106 0.000 1.249 40 C CA 1.304 60.373 59.018 0.085 0.000 1.725 40 C CB -1.482 26.306 27.740 0.080 0.000 2.028 40 C HN 0.854 nan 8.230 nan 0.000 0.477 41 H N 1.155 120.257 119.070 0.052 0.000 2.319 41 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 41 H C 1.739 177.094 175.328 0.046 0.000 1.092 41 H CA 2.287 58.364 56.048 0.049 0.000 1.302 41 H CB -0.334 29.453 29.762 0.041 0.000 1.373 41 H HN 0.358 nan 8.280 nan 0.000 0.497 42 D N 0.190 120.678 120.400 0.146 0.000 2.149 42 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 42 D C 1.276 177.575 176.300 -0.002 0.000 0.990 42 D CA 1.326 55.372 54.000 0.077 0.000 0.839 42 D CB -0.418 40.450 40.800 0.114 0.000 0.948 42 D HN 0.510 nan 8.370 nan 0.000 0.460 43 D N -0.453 119.954 120.400 0.011 0.000 2.378 43 D HA 0.083 4.723 4.640 -0.000 0.000 0.227 43 D C 1.204 177.508 176.300 0.006 0.000 1.012 43 D CA 0.624 54.627 54.000 0.006 0.000 0.905 43 D CB -0.210 40.596 40.800 0.010 0.000 0.895 43 D HN 0.238 nan 8.370 nan 0.000 0.532 44 G N 0.465 109.247 108.800 -0.030 0.000 2.283 44 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.280 44 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.280 44 G C 0.459 175.429 174.900 0.116 0.000 1.029 44 G CA 0.353 45.461 45.100 0.014 0.000 0.840 44 G HN 0.582 nan 8.290 nan 0.000 0.505 45 A N -0.602 122.258 122.820 0.067 0.000 2.354 45 A HA 0.824 5.144 4.320 -0.000 0.000 0.269 45 A C 1.316 178.963 177.584 0.105 0.000 1.109 45 A CA 0.852 52.937 52.037 0.080 0.000 0.800 45 A CB 1.018 20.034 19.000 0.027 0.000 1.045 45 A HN 1.738 nan 8.150 nan 0.000 0.489 46 A N 1.551 124.440 122.820 0.115 0.000 2.275 46 A HA 0.486 4.806 4.320 -0.000 0.000 0.212 46 A C 0.202 177.854 177.584 0.114 0.000 1.201 46 A CA 0.447 52.559 52.037 0.125 0.000 0.843 46 A CB -0.279 18.791 19.000 0.116 0.000 0.873 46 A HN 1.272 nan 8.150 nan 0.000 0.492 47 L N -1.608 119.644 121.223 0.048 0.000 2.513 47 L HA 0.729 5.069 4.340 -0.000 0.000 0.261 47 L C -1.161 175.706 176.870 -0.004 0.000 0.945 47 L CA -0.250 54.621 54.840 0.052 0.000 0.848 47 L CB 1.912 44.005 42.059 0.058 0.000 1.334 47 L HN 0.125 nan 8.230 nan 0.000 0.407 48 A N 4.542 127.353 122.820 -0.015 0.000 2.375 48 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 48 A C -1.510 175.968 177.584 -0.177 0.000 1.160 48 A CA -0.494 51.466 52.037 -0.127 0.000 0.747 48 A CB 1.309 20.288 19.000 -0.036 0.000 1.170 48 A HN 0.491 nan 8.150 nan 0.000 0.458 49 V N 3.328 123.075 119.914 -0.280 0.000 2.394 49 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 49 V C -0.408 175.453 176.094 -0.388 0.000 1.031 49 V CA -0.059 62.119 62.300 -0.203 0.000 0.881 49 V CB 0.640 32.378 31.823 -0.142 0.000 0.982 49 V HN 0.742 nan 8.190 nan 0.000 0.451 50 F N 5.093 124.983 119.950 -0.099 0.000 2.518 50 F HA 0.623 5.150 4.527 -0.000 0.000 0.338 50 F C -2.004 173.729 175.800 -0.110 0.000 1.065 50 F CA -2.465 55.465 58.000 -0.117 0.000 1.012 50 F CB 1.008 39.889 39.000 -0.198 0.000 1.297 50 F HN 0.303 nan 8.300 nan 0.000 0.489 51 P HA 0.048 nan 4.420 nan 0.000 0.274 51 P C -0.942 176.383 177.300 0.041 0.000 1.246 51 P CA -0.492 62.638 63.100 0.049 0.000 0.795 51 P CB 0.399 32.170 31.700 0.118 0.000 1.006 52 E N 1.896 122.102 120.200 0.011 0.000 2.502 52 E HA -0.068 4.282 4.350 -0.000 0.000 0.261 52 E C 0.164 176.833 176.600 0.115 0.000 0.974 52 E CA 0.041 56.473 56.400 0.053 0.000 0.936 52 E CB -0.344 29.372 29.700 0.026 0.000 0.926 52 E HN 0.365 nan 8.360 nan 0.000 0.459 53 L N 3.701 124.993 121.223 0.115 0.000 3.737 53 L HA -0.357 3.983 4.340 -0.000 0.000 0.418 53 L C 1.292 178.198 176.870 0.060 0.000 1.216 53 L CA 0.533 55.434 54.840 0.102 0.000 0.915 53 L CB -2.224 39.931 42.059 0.160 0.000 1.834 53 L HN 0.804 nan 8.230 nan 0.000 0.943 54 T N -0.870 113.691 114.554 0.013 0.000 2.668 54 T HA -0.276 4.074 4.350 -0.000 0.000 0.265 54 T C 1.581 176.254 174.700 -0.046 0.000 1.041 54 T CA 2.006 64.058 62.100 -0.081 0.000 1.160 54 T CB -0.142 68.561 68.868 -0.276 0.000 0.857 54 T HN 0.254 nan 8.240 nan 0.000 0.455 55 L N 0.907 122.097 121.223 -0.056 0.000 2.313 55 L HA 0.118 4.458 4.340 -0.000 0.000 0.214 55 L C 2.628 179.490 176.870 -0.014 0.000 1.119 55 L CA 1.407 56.219 54.840 -0.047 0.000 0.809 55 L CB -0.674 41.349 42.059 -0.059 0.000 0.933 55 L HN 0.472 nan 8.230 nan 0.000 0.449 56 S N -1.779 113.920 115.700 -0.002 0.000 2.499 56 S HA 0.453 4.923 4.470 -0.000 0.000 0.225 56 S C 1.002 175.588 174.600 -0.022 0.000 1.050 56 S CA 0.248 58.442 58.200 -0.010 0.000 0.928 56 S CB 0.265 63.459 63.200 -0.009 0.000 0.803 56 S HN 0.436 nan 8.310 nan 0.000 0.506 57 G N 0.752 109.546 108.800 -0.009 0.000 3.209 57 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 57 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 57 G C -0.321 174.568 174.900 -0.017 0.000 1.065 57 G CA -0.146 44.924 45.100 -0.050 0.000 0.812 57 G HN 0.434 nan 8.290 nan 0.000 0.573 58 Y N 1.984 122.201 120.300 -0.138 0.000 2.263 58 Y HA 0.050 4.600 4.550 -0.000 0.000 0.292 58 Y C 2.648 178.536 175.900 -0.021 0.000 1.130 58 Y CA 2.574 60.639 58.100 -0.059 0.000 1.179 58 Y CB 0.147 38.584 38.460 -0.038 0.000 0.998 58 Y HN 1.026 nan 8.280 nan 0.000 0.532 59 S N 0.539 116.177 115.700 -0.104 0.000 2.634 59 S HA 0.019 4.489 4.470 -0.000 0.000 0.221 59 S C 1.518 176.071 174.600 -0.080 0.000 0.952 59 S CA 0.198 58.368 58.200 -0.050 0.000 0.930 59 S CB -1.520 61.783 63.200 0.172 0.000 0.780 59 S HN 0.632 nan 8.310 nan 0.000 0.498 60 I N -1.856 118.646 120.570 -0.113 0.000 3.444 60 I HA 0.067 4.237 4.170 -0.000 0.000 0.287 60 I C 0.736 176.804 176.117 -0.081 0.000 1.302 60 I CA 0.085 61.337 61.300 -0.081 0.000 1.368 60 I CB -0.559 37.399 38.000 -0.069 0.000 1.048 60 I HN 0.060 nan 8.210 nan 0.000 0.487 61 E N 1.990 122.125 120.200 -0.108 0.000 3.289 61 E HA -0.329 4.021 4.350 -0.000 0.000 0.386 61 E C 0.646 177.205 176.600 -0.067 0.000 1.526 61 E CA 2.206 58.550 56.400 -0.093 0.000 1.519 61 E CB -1.341 28.302 29.700 -0.094 0.000 1.657 61 E HN 0.571 nan 8.360 nan 0.000 0.479 62 D N 0.834 121.201 120.400 -0.055 0.000 2.363 62 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 62 D C 1.811 178.089 176.300 -0.036 0.000 1.020 62 D CA 0.520 54.497 54.000 -0.040 0.000 0.892 62 D CB -0.065 40.715 40.800 -0.034 0.000 0.900 62 D HN 0.084 nan 8.370 nan 0.000 0.531 63 V N 0.770 120.659 119.914 -0.041 0.000 2.720 63 V HA -0.174 3.946 4.120 -0.000 0.000 0.256 63 V C 2.355 178.429 176.094 -0.033 0.000 1.082 63 V CA 0.829 63.108 62.300 -0.035 0.000 1.101 63 V CB -0.430 31.371 31.823 -0.037 0.000 0.693 63 V HN 0.264 nan 8.190 nan 0.000 0.479 64 L N -0.657 120.543 121.223 -0.039 0.000 2.456 64 L HA -0.073 4.267 4.340 -0.000 0.000 0.224 64 L C 1.817 178.674 176.870 -0.022 0.000 1.148 64 L CA 1.116 55.937 54.840 -0.033 0.000 0.825 64 L CB -0.244 41.789 42.059 -0.042 0.000 0.937 64 L HN 0.346 nan 8.230 nan 0.000 0.450 65 L N -1.292 119.918 121.223 -0.022 0.000 2.640 65 L HA 0.105 4.445 4.340 -0.000 0.000 0.230 65 L C 0.408 177.269 176.870 -0.014 0.000 1.123 65 L CA -0.228 54.602 54.840 -0.017 0.000 0.900 65 L CB 0.034 42.083 42.059 -0.017 0.000 1.146 65 L HN 0.157 nan 8.230 nan 0.000 0.484 66 Q N 0.755 120.546 119.800 -0.015 0.000 2.307 66 Q HA 0.031 4.371 4.340 -0.000 0.000 0.259 66 Q C 0.335 176.328 176.000 -0.010 0.000 0.998 66 Q CA -0.046 55.749 55.803 -0.013 0.000 0.923 66 Q CB 1.300 30.028 28.738 -0.015 0.000 1.196 66 Q HN 0.093 nan 8.270 nan 0.000 0.416 67 D N 1.456 121.851 120.400 -0.009 0.000 2.248 67 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 67 D C 1.195 177.491 176.300 -0.007 0.000 1.013 67 D CA 1.790 55.786 54.000 -0.007 0.000 0.883 67 D CB 0.325 41.121 40.800 -0.006 0.000 0.915 67 D HN 0.396 nan 8.370 nan 0.000 0.448 68 S N -0.575 115.120 115.700 -0.008 0.000 2.414 68 S HA -0.010 4.460 4.470 -0.000 0.000 0.227 68 S C 1.666 176.260 174.600 -0.010 0.000 1.022 68 S CA -0.176 58.019 58.200 -0.009 0.000 0.958 68 S CB 0.052 63.247 63.200 -0.009 0.000 0.797 68 S HN 0.227 nan 8.310 nan 0.000 0.493 69 L N 2.261 123.477 121.223 -0.011 0.000 1.943 69 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 69 L C 1.987 178.852 176.870 -0.009 0.000 1.074 69 L CA 1.933 56.765 54.840 -0.013 0.000 0.759 69 L CB -1.434 40.615 42.059 -0.016 0.000 0.888 69 L HN 0.338 nan 8.230 nan 0.000 0.433 70 L N 0.094 121.314 121.223 -0.006 0.000 2.010 70 L HA -0.336 4.004 4.340 -0.000 0.000 0.219 70 L C 2.418 179.287 176.870 -0.001 0.000 1.077 70 L CA 2.016 56.856 54.840 0.000 0.000 0.773 70 L CB -0.982 41.079 42.059 0.003 0.000 0.892 70 L HN 0.344 nan 8.230 nan 0.000 0.436 71 D N -0.270 120.128 120.400 -0.003 0.000 2.144 71 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 71 D C 2.191 178.487 176.300 -0.007 0.000 0.984 71 D CA 1.496 55.493 54.000 -0.005 0.000 0.834 71 D CB -0.015 40.782 40.800 -0.006 0.000 0.955 71 D HN 0.372 nan 8.370 nan 0.000 0.465 72 A N 0.467 123.282 122.820 -0.009 0.000 1.873 72 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 72 A C 2.548 180.123 177.584 -0.015 0.000 1.186 72 A CA 1.062 53.092 52.037 -0.012 0.000 0.616 72 A CB -0.790 18.203 19.000 -0.013 0.000 0.823 72 A HN 0.117 nan 8.150 nan 0.000 0.442 73 V N 0.354 120.261 119.914 -0.013 0.000 2.231 73 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 73 V C 2.476 178.561 176.094 -0.014 0.000 1.054 73 V CA 2.588 64.879 62.300 -0.014 0.000 1.015 73 V CB -0.977 30.842 31.823 -0.006 0.000 0.638 73 V HN 0.670 nan 8.190 nan 0.000 0.444 74 E N -0.313 119.882 120.200 -0.007 0.000 2.070 74 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 74 E C 1.980 178.572 176.600 -0.013 0.000 1.004 74 E CA 1.597 57.993 56.400 -0.006 0.000 0.805 74 E CB -0.247 29.453 29.700 -0.001 0.000 0.744 74 E HN 0.618 nan 8.360 nan 0.000 0.451 75 D N 0.058 120.450 120.400 -0.014 0.000 2.178 75 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 75 D C 1.812 178.098 176.300 -0.024 0.000 0.974 75 D CA 1.051 55.041 54.000 -0.017 0.000 0.841 75 D CB -0.156 40.635 40.800 -0.015 0.000 0.953 75 D HN 0.163 nan 8.370 nan 0.000 0.478 76 A N 1.053 123.856 122.820 -0.028 0.000 1.873 76 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 76 A C 2.273 179.827 177.584 -0.049 0.000 1.186 76 A CA 0.610 52.624 52.037 -0.038 0.000 0.616 76 A CB -0.791 18.184 19.000 -0.041 0.000 0.823 76 A HN 0.202 nan 8.150 nan 0.000 0.442 77 L N -0.120 121.075 121.223 -0.047 0.000 1.978 77 L HA -0.254 4.086 4.340 -0.000 0.000 0.218 77 L C 2.594 179.438 176.870 -0.042 0.000 1.075 77 L CA 2.115 56.925 54.840 -0.049 0.000 0.767 77 L CB -0.545 41.493 42.059 -0.034 0.000 0.890 77 L HN 0.468 nan 8.230 nan 0.000 0.434 78 L N -0.775 120.429 121.223 -0.031 0.000 2.129 78 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 78 L C 2.176 179.027 176.870 -0.032 0.000 1.087 78 L CA 1.328 56.152 54.840 -0.027 0.000 0.757 78 L CB -0.876 41.171 42.059 -0.019 0.000 0.896 78 L HN 0.337 nan 8.230 nan 0.000 0.434 79 D N 0.209 120.588 120.400 -0.036 0.000 2.117 79 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 79 D C 2.458 178.728 176.300 -0.049 0.000 0.982 79 D CA 0.904 54.881 54.000 -0.039 0.000 0.828 79 D CB -0.106 40.672 40.800 -0.037 0.000 0.967 79 D HN 0.218 nan 8.370 nan 0.000 0.464 80 L N 0.404 121.591 121.223 -0.061 0.000 2.012 80 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 80 L C 2.465 179.297 176.870 -0.065 0.000 1.073 80 L CA 0.845 55.640 54.840 -0.076 0.000 0.748 80 L CB -0.339 41.659 42.059 -0.101 0.000 0.891 80 L HN -0.024 nan 8.230 nan 0.000 0.431 81 V N -0.364 119.517 119.914 -0.056 0.000 2.332 81 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 81 V C 2.507 178.572 176.094 -0.048 0.000 1.055 81 V CA 2.437 64.707 62.300 -0.049 0.000 1.038 81 V CB -0.765 31.035 31.823 -0.038 0.000 0.651 81 V HN 0.522 nan 8.190 nan 0.000 0.450 82 T N -0.782 113.746 114.554 -0.043 0.000 2.867 82 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 82 T C 1.800 176.472 174.700 -0.047 0.000 1.057 82 T CA 1.128 63.204 62.100 -0.040 0.000 1.136 82 T CB -0.174 68.674 68.868 -0.033 0.000 0.874 82 T HN 0.510 nan 8.240 nan 0.000 0.466 83 E N 1.627 121.797 120.200 -0.052 0.000 2.107 83 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 83 E C 2.587 179.148 176.600 -0.065 0.000 0.982 83 E CA 1.147 57.513 56.400 -0.057 0.000 0.809 83 E CB -0.469 29.197 29.700 -0.057 0.000 0.756 83 E HN 0.615 nan 8.360 nan 0.000 0.459 84 S N 1.141 116.803 115.700 -0.064 0.000 2.500 84 S HA -0.047 4.423 4.470 -0.000 0.000 0.239 84 S C 2.149 176.696 174.600 -0.089 0.000 0.989 84 S CA 0.877 59.037 58.200 -0.068 0.000 0.951 84 S CB -0.159 63.004 63.200 -0.062 0.000 0.759 84 S HN 0.236 nan 8.310 nan 0.000 0.523 85 A N 2.286 125.057 122.820 -0.082 0.000 1.915 85 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 85 A C 1.488 179.024 177.584 -0.081 0.000 1.198 85 A CA 2.121 54.109 52.037 -0.081 0.000 0.647 85 A CB -1.002 17.963 19.000 -0.059 0.000 0.825 85 A HN 0.669 nan 8.150 nan 0.000 0.456 86 D N -1.445 118.906 120.400 -0.081 0.000 2.491 86 D HA 0.399 5.039 4.640 -0.000 0.000 0.228 86 D C -0.771 175.451 176.300 -0.130 0.000 1.183 86 D CA -0.219 53.728 54.000 -0.089 0.000 0.827 86 D CB 0.400 41.142 40.800 -0.097 0.000 0.989 86 D HN 0.148 nan 8.370 nan 0.000 0.494 87 L N 0.872 122.050 121.223 -0.075 0.000 2.325 87 L HA 0.302 4.642 4.340 -0.000 0.000 0.278 87 L C 0.894 177.853 176.870 0.148 0.000 1.023 87 L CA -0.667 54.177 54.840 0.006 0.000 0.811 87 L CB 1.633 43.695 42.059 0.004 0.000 1.249 87 L HN -0.016 nan 8.230 nan 0.000 0.431 88 L N 4.419 125.873 121.223 0.385 0.000 2.131 88 L HA 0.249 4.589 4.340 -0.000 0.000 0.206 88 L C -1.627 175.378 176.870 0.225 0.000 1.087 88 L CA 0.902 55.888 54.840 0.243 0.000 0.767 88 L CB -0.844 41.290 42.059 0.125 0.000 0.917 88 L HN 0.437 nan 8.230 nan 0.000 0.441 89 P HA 0.080 nan 4.420 nan 0.000 0.280 89 P C -0.480 176.932 177.300 0.187 0.000 1.244 89 P CA -0.064 63.144 63.100 0.180 0.000 0.784 89 P CB 1.014 32.794 31.700 0.134 0.000 0.913 90 V N 4.795 124.801 119.914 0.155 0.000 2.583 90 V HA -0.127 3.993 4.120 -0.000 0.000 0.302 90 V C 0.867 176.971 176.094 0.017 0.000 1.033 90 V CA 0.820 63.116 62.300 -0.007 0.000 1.194 90 V CB -0.958 30.733 31.823 -0.219 0.000 0.879 90 V HN 0.317 nan 8.190 nan 0.000 0.482 91 L N 6.137 127.363 121.223 0.006 0.000 2.295 91 L HA 0.621 4.961 4.340 -0.000 0.000 0.285 91 L C -0.389 176.473 176.870 -0.013 0.000 1.035 91 L CA -0.593 54.279 54.840 0.054 0.000 0.806 91 L CB 1.646 43.747 42.059 0.071 0.000 1.214 91 L HN 0.327 nan 8.230 nan 0.000 0.426 92 V N 4.156 124.097 119.914 0.045 0.000 2.444 92 V HA 0.543 4.663 4.120 -0.000 0.000 0.294 92 V C -0.321 175.823 176.094 0.084 0.000 1.022 92 V CA -0.539 61.751 62.300 -0.018 0.000 0.850 92 V CB 2.196 33.975 31.823 -0.073 0.000 0.992 92 V HN 0.475 nan 8.190 nan 0.000 0.426 93 V N 3.563 123.480 119.914 0.006 0.000 2.668 93 V HA 0.664 4.784 4.120 -0.000 0.000 0.304 93 V C 0.544 176.615 176.094 -0.040 0.000 1.071 93 V CA -0.424 61.858 62.300 -0.029 0.000 0.894 93 V CB 2.134 33.879 31.823 -0.129 0.000 1.008 93 V HN 0.929 nan 8.190 nan 0.000 0.425 94 G N 2.869 111.653 108.800 -0.028 0.000 2.503 94 G HA2 0.727 4.687 3.960 -0.000 0.000 0.257 94 G HA3 0.727 4.687 3.960 -0.000 0.000 0.257 94 G C -0.299 174.598 174.900 -0.005 0.000 1.214 94 G CA 0.340 45.440 45.100 0.001 0.000 0.839 94 G HN 1.482 nan 8.290 nan 0.000 0.559 95 A N 2.641 125.477 122.820 0.027 0.000 2.565 95 A HA 0.711 5.031 4.320 -0.000 0.000 0.298 95 A C -3.162 174.458 177.584 0.060 0.000 1.062 95 A CA -1.092 50.961 52.037 0.026 0.000 0.723 95 A CB 1.942 20.948 19.000 0.010 0.000 1.282 95 A HN 0.500 nan 8.150 nan 0.000 0.400 96 P HA 0.620 nan 4.420 nan 0.000 0.287 96 P C -0.965 176.383 177.300 0.079 0.000 1.281 96 P CA 0.008 63.150 63.100 0.071 0.000 0.781 96 P CB 0.706 32.428 31.700 0.038 0.000 0.903 97 L N 3.654 124.954 121.223 0.129 0.000 2.388 97 L HA 0.532 4.872 4.340 -0.000 0.000 0.264 97 L C 0.567 177.531 176.870 0.156 0.000 0.998 97 L CA -1.072 53.842 54.840 0.122 0.000 0.817 97 L CB 2.426 44.557 42.059 0.121 0.000 1.338 97 L HN 0.204 nan 8.230 nan 0.000 0.414 98 R N 1.647 122.210 120.500 0.104 0.000 2.340 98 R HA 0.408 4.748 4.340 -0.000 0.000 0.300 98 R C -0.680 175.704 176.300 0.140 0.000 1.069 98 R CA -0.477 55.685 56.100 0.103 0.000 0.984 98 R CB 0.684 31.010 30.300 0.044 0.000 1.003 98 R HN 0.531 nan 8.270 nan 0.000 0.459 99 H N 2.447 121.549 119.070 0.054 0.000 3.029 99 H HA 0.164 4.720 4.556 -0.000 0.000 0.358 99 H C 0.380 175.716 175.328 0.013 0.000 1.129 99 H CA -0.542 55.465 56.048 -0.070 0.000 1.230 99 H CB 1.419 30.968 29.762 -0.355 0.000 1.827 99 H HN 0.703 nan 8.280 nan 0.000 0.530 100 R N 1.184 121.298 120.500 -0.644 0.000 3.691 100 R HA -0.355 3.985 4.340 -0.000 0.000 0.495 100 R C 0.520 176.693 176.300 -0.212 0.000 0.244 100 R CA 2.727 58.538 56.100 -0.481 0.000 1.515 100 R CB -1.273 28.665 30.300 -0.603 0.000 0.879 100 R HN 0.869 nan 8.270 nan 0.000 0.595 101 H N 0.227 119.289 119.070 -0.013 0.000 2.575 101 H HA 0.317 4.873 4.556 -0.000 0.000 0.267 101 H C 0.687 175.994 175.328 -0.034 0.000 0.966 101 H CA 0.011 56.047 56.048 -0.020 0.000 1.165 101 H CB 0.479 30.234 29.762 -0.011 0.000 1.433 101 H HN 0.135 nan 8.280 nan 0.000 0.544 102 R N 0.575 121.098 120.500 0.037 0.000 2.906 102 R HA 0.430 4.769 4.340 -0.000 0.000 0.258 102 R C -0.920 175.324 176.300 -0.094 0.000 1.156 102 R CA -1.154 54.895 56.100 -0.085 0.000 0.996 102 R CB 1.997 32.157 30.300 -0.232 0.000 1.259 102 R HN 0.020 nan 8.270 nan 0.000 0.462 103 I N -1.238 119.244 120.570 -0.146 0.000 2.385 103 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 103 I C -1.128 174.853 176.117 -0.226 0.000 0.988 103 I CA -0.675 60.583 61.300 -0.070 0.000 1.265 103 I CB 0.784 38.776 38.000 -0.015 0.000 1.388 103 I HN 0.347 nan 8.210 nan 0.000 0.480 104 Y N 3.073 123.438 120.300 0.108 0.000 2.377 104 Y HA 0.309 4.859 4.550 -0.000 0.000 0.339 104 Y C 0.471 176.436 175.900 0.109 0.000 1.011 104 Y CA -0.670 57.513 58.100 0.138 0.000 1.093 104 Y CB 1.171 39.779 38.460 0.247 0.000 1.201 104 Y HN 0.586 nan 8.280 nan 0.000 0.455 105 N N 2.899 121.734 118.700 0.225 0.000 2.406 105 N HA 0.009 4.749 4.740 -0.000 0.000 0.269 105 N C -0.630 174.980 175.510 0.167 0.000 1.210 105 N CA 0.117 53.269 53.050 0.170 0.000 0.966 105 N CB 0.159 38.739 38.487 0.155 0.000 1.293 105 N HN 0.812 nan 8.380 nan 0.000 0.491 106 T N -0.049 114.594 114.554 0.148 0.000 2.942 106 T HA 0.795 5.145 4.350 -0.000 0.000 0.289 106 T C -0.400 174.330 174.700 0.050 0.000 1.044 106 T CA -1.025 61.139 62.100 0.107 0.000 1.023 106 T CB 1.722 70.680 68.868 0.151 0.000 1.123 106 T HN 0.347 nan 8.240 nan 0.000 0.512 107 A N 1.774 124.597 122.820 0.005 0.000 2.273 107 A HA 0.664 4.984 4.320 -0.000 0.000 0.315 107 A C -0.355 177.202 177.584 -0.044 0.000 1.256 107 A CA -0.786 51.236 52.037 -0.026 0.000 0.851 107 A CB 0.769 19.737 19.000 -0.054 0.000 1.172 107 A HN 0.855 nan 8.150 nan 0.000 0.508 108 V N 3.770 123.657 119.914 -0.045 0.000 2.385 108 V HA 0.203 4.323 4.120 -0.000 0.000 0.269 108 V C 0.135 176.155 176.094 -0.123 0.000 1.043 108 V CA -0.433 61.832 62.300 -0.058 0.000 0.906 108 V CB 1.181 32.983 31.823 -0.035 0.000 0.995 108 V HN 0.580 nan 8.190 nan 0.000 0.467 109 V N 7.587 127.377 119.914 -0.207 0.000 2.389 109 V HA 0.393 4.513 4.120 -0.000 0.000 0.264 109 V C 0.063 176.002 176.094 -0.259 0.000 1.049 109 V CA 0.048 62.128 62.300 -0.368 0.000 0.932 109 V CB 0.793 32.094 31.823 -0.870 0.000 1.011 109 V HN 0.653 nan 8.190 nan 0.000 0.475 110 I N 4.910 125.373 120.570 -0.179 0.000 2.603 110 I HA 0.586 4.756 4.170 -0.000 0.000 0.300 110 I C -0.278 175.812 176.117 -0.044 0.000 1.017 110 I CA -0.452 60.793 61.300 -0.091 0.000 1.098 110 I CB 1.818 39.779 38.000 -0.066 0.000 1.279 110 I HN 0.643 nan 8.210 nan 0.000 0.437 111 H N 6.170 125.160 119.070 -0.135 0.000 3.154 111 H HA 0.277 4.833 4.556 -0.000 0.000 0.330 111 H C -0.727 174.574 175.328 -0.045 0.000 1.033 111 H CA -0.645 55.329 56.048 -0.124 0.000 1.393 111 H CB 1.309 30.916 29.762 -0.257 0.000 1.951 111 H HN 0.642 nan 8.280 nan 0.000 0.466 112 R N 2.903 123.071 120.500 -0.554 0.000 3.225 112 R HA -0.190 4.150 4.340 -0.000 0.000 0.245 112 R C 0.841 177.019 176.300 -0.205 0.000 0.928 112 R CA 1.279 57.122 56.100 -0.428 0.000 0.632 112 R CB -2.060 27.870 30.300 -0.618 0.000 1.038 112 R HN 1.118 nan 8.270 nan 0.000 0.461 113 G N -2.304 106.420 108.800 -0.126 0.000 2.132 113 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.234 113 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.234 113 G C 0.016 174.892 174.900 -0.040 0.000 0.989 113 G CA 0.222 45.280 45.100 -0.070 0.000 0.676 113 G HN 1.167 nan 8.290 nan 0.000 0.522 114 A N -1.226 121.575 122.820 -0.032 0.000 2.566 114 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 114 A C -0.382 177.207 177.584 0.008 0.000 1.059 114 A CA -0.069 51.969 52.037 0.002 0.000 0.691 114 A CB 1.732 20.750 19.000 0.030 0.000 1.282 114 A HN 1.317 nan 8.150 nan 0.000 0.401 115 V N 2.733 122.656 119.914 0.015 0.000 2.546 115 V HA 0.191 4.311 4.120 -0.000 0.000 0.284 115 V C 0.728 176.854 176.094 0.054 0.000 1.050 115 V CA -0.115 62.192 62.300 0.012 0.000 0.981 115 V CB 1.300 33.133 31.823 0.015 0.000 0.990 115 V HN 0.868 nan 8.190 nan 0.000 0.474 116 L N 3.173 124.431 121.223 0.058 0.000 2.357 116 L HA 0.545 4.885 4.340 -0.000 0.000 0.211 116 L C 0.926 177.988 176.870 0.320 0.000 1.075 116 L CA 1.279 56.235 54.840 0.193 0.000 0.830 116 L CB -0.227 41.936 42.059 0.172 0.000 0.996 116 L HN 0.901 nan 8.230 nan 0.000 0.467 117 G N -1.842 107.086 108.800 0.214 0.000 2.411 117 G HA2 0.473 4.433 3.960 -0.000 0.000 0.295 117 G HA3 0.473 4.433 3.960 -0.000 0.000 0.295 117 G C -2.108 172.866 174.900 0.123 0.000 1.542 117 G CA -0.508 44.750 45.100 0.264 0.000 0.814 117 G HN -0.273 nan 8.290 nan 0.000 0.557 118 V N 0.435 120.413 119.914 0.107 0.000 2.487 118 V HA 0.635 4.755 4.120 -0.000 0.000 0.298 118 V C -0.257 175.777 176.094 -0.101 0.000 1.028 118 V CA -0.749 61.590 62.300 0.064 0.000 0.860 118 V CB 1.716 33.666 31.823 0.212 0.000 0.991 118 V HN 0.705 nan 8.190 nan 0.000 0.427 119 V N 7.443 127.282 119.914 -0.126 0.000 2.326 119 V HA 0.393 4.513 4.120 -0.000 0.000 0.281 119 V C -2.186 173.781 176.094 -0.212 0.000 1.015 119 V CA -1.720 60.444 62.300 -0.228 0.000 0.823 119 V CB 1.887 33.631 31.823 -0.131 0.000 1.009 119 V HN 0.723 nan 8.190 nan 0.000 0.436 120 P HA 0.138 nan 4.420 nan 0.000 0.275 120 P C -0.421 176.840 177.300 -0.066 0.000 1.227 120 P CA -0.594 62.421 63.100 -0.142 0.000 0.781 120 P CB 1.018 32.554 31.700 -0.273 0.000 0.906 121 K N 2.383 122.805 120.400 0.036 0.000 2.405 121 K HA -0.002 4.318 4.320 -0.000 0.000 0.273 121 K C 1.160 177.745 176.600 -0.026 0.000 1.116 121 K CA 0.127 56.438 56.287 0.040 0.000 1.155 121 K CB -0.161 32.400 32.500 0.102 0.000 0.858 121 K HN 0.317 nan 8.250 nan 0.000 0.477 122 S N 3.740 119.353 115.700 -0.144 0.000 2.387 122 S HA -0.159 4.311 4.470 -0.000 0.000 0.230 122 S C -0.230 174.069 174.600 -0.502 0.000 1.035 122 S CA 1.200 59.125 58.200 -0.459 0.000 1.014 122 S CB -0.185 62.506 63.200 -0.848 0.000 0.836 122 S HN 0.549 nan 8.310 nan 0.000 0.466 123 Y N -0.155 120.207 120.300 0.102 0.000 2.322 123 Y HA 0.506 5.056 4.550 -0.000 0.000 0.324 123 Y C -1.048 174.901 175.900 0.082 0.000 1.027 123 Y CA -1.265 56.892 58.100 0.095 0.000 1.179 123 Y CB 0.849 39.369 38.460 0.101 0.000 1.136 123 Y HN -0.110 nan 8.280 nan 0.000 0.449 124 L N 6.932 128.297 121.223 0.237 0.000 2.283 124 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 124 L C -2.318 174.617 176.870 0.109 0.000 1.033 124 L CA -2.404 52.521 54.840 0.143 0.000 0.848 124 L CB 0.631 42.764 42.059 0.123 0.000 1.226 124 L HN 0.322 nan 8.230 nan 0.000 0.429 125 P HA 0.225 nan 4.420 nan 0.000 0.271 125 P C -0.645 176.593 177.300 -0.104 0.000 1.220 125 P CA -0.188 62.839 63.100 -0.122 0.000 0.768 125 P CB 0.619 31.887 31.700 -0.720 0.000 0.848 126 T N 3.339 117.912 114.554 0.032 0.000 3.428 126 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 126 T C -0.819 173.923 174.700 0.070 0.000 1.323 126 T CA -0.437 61.655 62.100 -0.013 0.000 1.647 126 T CB -0.637 68.247 68.868 0.026 0.000 0.871 126 T HN 0.487 nan 8.240 nan 0.000 0.627 127 Y N -1.419 118.847 120.300 -0.057 0.000 2.687 127 Y HA 0.624 5.174 4.550 -0.000 0.000 0.338 127 Y C 0.354 176.279 175.900 0.043 0.000 1.189 127 Y CA -1.854 56.222 58.100 -0.040 0.000 1.097 127 Y CB 0.646 39.111 38.460 0.007 0.000 1.342 127 Y HN 0.138 nan 8.280 nan 0.000 0.461 128 R N 0.416 121.027 120.500 0.186 0.000 3.691 128 R HA -0.290 4.050 4.340 -0.000 0.000 0.495 128 R C 1.251 177.548 176.300 -0.005 0.000 0.244 128 R CA 2.433 58.595 56.100 0.104 0.000 1.515 128 R CB -1.115 29.301 30.300 0.194 0.000 0.879 128 R HN 0.970 nan 8.270 nan 0.000 0.595 129 E N 1.756 121.859 120.200 -0.162 0.000 2.474 129 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 129 E C -0.248 176.172 176.600 -0.301 0.000 1.039 129 E CA 0.394 56.646 56.400 -0.247 0.000 0.881 129 E CB 0.341 29.766 29.700 -0.457 0.000 0.970 129 E HN 0.259 nan 8.360 nan 0.000 0.486 130 F N 0.401 120.339 119.950 -0.022 0.000 2.443 130 F HA 0.341 4.868 4.527 -0.000 0.000 0.335 130 F C -0.239 175.508 175.800 -0.088 0.000 1.104 130 F CA -0.987 56.997 58.000 -0.027 0.000 1.013 130 F CB 1.001 39.816 39.000 -0.308 0.000 1.136 130 F HN -0.169 nan 8.300 nan 0.000 0.470 131 Y N 0.518 120.890 120.300 0.120 0.000 2.712 131 Y HA 0.202 4.752 4.550 -0.000 0.000 0.250 131 Y C 1.135 177.064 175.900 0.048 0.000 1.101 131 Y CA -0.696 57.439 58.100 0.059 0.000 1.118 131 Y CB -0.120 38.352 38.460 0.019 0.000 1.203 131 Y HN 0.594 nan 8.280 nan 0.000 0.587 132 E N -0.187 120.109 120.200 0.161 0.000 2.204 132 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 132 E C 1.635 178.283 176.600 0.079 0.000 0.989 132 E CA 0.532 56.998 56.400 0.111 0.000 0.824 132 E CB 0.183 29.957 29.700 0.124 0.000 0.756 132 E HN 0.225 nan 8.360 nan 0.000 0.477 133 R N 1.104 121.650 120.500 0.077 0.000 2.148 133 R HA -0.069 4.271 4.340 -0.000 0.000 0.227 133 R C 2.183 178.514 176.300 0.051 0.000 1.103 133 R CA 0.749 56.885 56.100 0.060 0.000 0.983 133 R CB -0.585 29.753 30.300 0.063 0.000 0.874 133 R HN 0.230 nan 8.270 nan 0.000 0.451 134 R N 0.981 121.525 120.500 0.074 0.000 2.083 134 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 134 R C 1.083 177.403 176.300 0.032 0.000 1.137 134 R CA 1.953 58.093 56.100 0.067 0.000 0.951 134 R CB 0.084 30.451 30.300 0.111 0.000 0.851 134 R HN 0.152 nan 8.270 nan 0.000 0.434 135 Q N -0.896 118.918 119.800 0.023 0.000 2.378 135 Q HA 0.297 4.637 4.340 -0.000 0.000 0.216 135 Q C -0.047 175.936 176.000 -0.028 0.000 0.892 135 Q CA 0.411 56.210 55.803 -0.006 0.000 0.931 135 Q CB 0.954 29.683 28.738 -0.015 0.000 1.086 135 Q HN 0.219 nan 8.270 nan 0.000 0.528 136 M N -0.222 119.364 119.600 -0.023 0.000 2.530 136 M HA 0.641 5.121 4.480 -0.000 0.000 0.307 136 M C -1.363 174.882 176.300 -0.091 0.000 1.161 136 M CA -0.887 54.377 55.300 -0.060 0.000 0.903 136 M CB 2.265 34.861 32.600 -0.007 0.000 1.711 136 M HN -0.005 nan 8.290 nan 0.000 0.451 137 A N 3.700 126.369 122.820 -0.251 0.000 2.309 137 A HA 0.772 5.092 4.320 -0.000 0.000 0.298 137 A C -2.530 175.040 177.584 -0.023 0.000 1.165 137 A CA -1.532 50.355 52.037 -0.250 0.000 0.821 137 A CB -0.267 18.409 19.000 -0.540 0.000 1.102 137 A HN 0.447 nan 8.150 nan 0.000 0.500 138 P HA 0.049 nan 4.420 nan 0.000 0.266 138 P C 0.791 178.280 177.300 0.315 0.000 1.195 138 P CA 0.512 63.711 63.100 0.164 0.000 0.768 138 P CB 0.672 32.448 31.700 0.126 0.000 0.838 139 G N 1.502 110.413 108.800 0.185 0.000 3.042 139 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.212 139 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.212 139 G C 0.151 174.999 174.900 -0.086 0.000 1.166 139 G CA -0.145 44.991 45.100 0.060 0.000 0.767 139 G HN 0.619 nan 8.290 nan 0.000 0.546 140 D N 0.541 120.871 120.400 -0.116 0.000 2.363 140 D HA 0.300 4.940 4.640 -0.000 0.000 0.263 140 D C 1.000 177.253 176.300 -0.079 0.000 1.258 140 D CA 0.295 54.185 54.000 -0.183 0.000 0.907 140 D CB 0.623 41.267 40.800 -0.260 0.000 1.107 140 D HN 0.323 nan 8.370 nan 0.000 0.495 141 G N 2.245 110.983 108.800 -0.104 0.000 2.171 141 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.238 141 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.238 141 G C -0.205 174.665 174.900 -0.050 0.000 1.039 141 G CA -0.233 44.824 45.100 -0.070 0.000 0.759 141 G HN 0.607 nan 8.290 nan 0.000 0.501 142 E N -0.310 119.840 120.200 -0.084 0.000 2.227 142 E HA 0.788 5.138 4.350 -0.000 0.000 0.268 142 E C 0.876 177.423 176.600 -0.087 0.000 0.990 142 E CA -0.494 55.886 56.400 -0.032 0.000 0.856 142 E CB 1.572 31.271 29.700 -0.001 0.000 1.159 142 E HN 0.385 nan 8.360 nan 0.000 0.401 143 R N -0.559 119.949 120.500 0.014 0.000 3.317 143 R HA 0.584 4.924 4.340 -0.000 0.000 0.259 143 R C 0.529 176.881 176.300 0.087 0.000 1.143 143 R CA -0.287 55.806 56.100 -0.012 0.000 0.969 143 R CB -0.208 30.071 30.300 -0.036 0.000 1.465 143 R HN 0.715 nan 8.270 nan 0.000 0.430 144 G N 0.341 109.166 108.800 0.042 0.000 2.550 144 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.277 144 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.277 144 G C -0.229 174.721 174.900 0.084 0.000 1.190 144 G CA 0.589 45.724 45.100 0.060 0.000 0.971 144 G HN 1.000 nan 8.290 nan 0.000 0.559 145 T N -2.375 112.226 114.554 0.077 0.000 2.838 145 T HA 0.749 5.099 4.350 -0.000 0.000 0.292 145 T C -0.502 174.165 174.700 -0.054 0.000 1.113 145 T CA 0.107 62.239 62.100 0.054 0.000 1.008 145 T CB 2.319 71.213 68.868 0.042 0.000 1.259 145 T HN 1.899 nan 8.240 nan 0.000 0.520 146 I N -0.196 120.330 120.570 -0.074 0.000 2.722 146 I HA 0.579 4.749 4.170 -0.000 0.000 0.295 146 I C -0.989 175.116 176.117 -0.020 0.000 1.161 146 I CA -1.114 60.102 61.300 -0.141 0.000 1.032 146 I CB 2.043 39.783 38.000 -0.433 0.000 1.244 146 I HN 0.595 nan 8.210 nan 0.000 0.421 147 R N 7.657 128.159 120.500 0.003 0.000 2.221 147 R HA 0.508 4.848 4.340 -0.000 0.000 0.327 147 R C -1.435 174.869 176.300 0.006 0.000 1.033 147 R CA -0.453 55.652 56.100 0.008 0.000 0.887 147 R CB 0.628 30.932 30.300 0.006 0.000 1.057 147 R HN 0.479 nan 8.270 nan 0.000 0.455 148 I N 2.546 123.121 120.570 0.009 0.000 2.500 148 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 148 I C 0.738 176.858 176.117 0.005 0.000 1.063 148 I CA -0.571 60.734 61.300 0.008 0.000 1.062 148 I CB 1.338 39.345 38.000 0.012 0.000 1.223 148 I HN 0.815 nan 8.210 nan 0.000 0.435 149 G N 4.696 113.497 108.800 0.001 0.000 2.393 149 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.299 149 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.299 149 G C 1.012 175.913 174.900 0.001 0.000 0.990 149 G CA 0.894 45.993 45.100 -0.001 0.000 1.118 149 G HN 1.736 nan 8.290 nan 0.000 0.513 150 G N -2.305 106.496 108.800 0.002 0.000 2.198 150 G HA2 0.295 4.255 3.960 -0.000 0.000 0.260 150 G HA3 0.295 4.255 3.960 -0.000 0.000 0.260 150 G C 0.457 175.361 174.900 0.007 0.000 1.025 150 G CA 1.129 46.231 45.100 0.003 0.000 0.769 150 G HN 2.499 nan 8.290 nan 0.000 0.507 151 A N -0.294 122.531 122.820 0.010 0.000 2.520 151 A HA 0.668 4.988 4.320 -0.000 0.000 0.298 151 A C -0.689 176.906 177.584 0.018 0.000 1.051 151 A CA -0.535 51.511 52.037 0.015 0.000 0.690 151 A CB 1.324 20.335 19.000 0.019 0.000 1.281 151 A HN 0.189 nan 8.150 nan 0.000 0.402 152 D N 2.061 122.473 120.400 0.021 0.000 2.249 152 D HA 0.448 5.088 4.640 -0.000 0.000 0.246 152 D C -0.050 176.271 176.300 0.034 0.000 1.114 152 D CA 0.062 54.077 54.000 0.024 0.000 0.854 152 D CB 1.989 42.801 40.800 0.021 0.000 1.132 152 D HN 0.672 nan 8.370 nan 0.000 0.461 153 V N -1.534 118.406 119.914 0.043 0.000 2.962 153 V HA 0.776 4.896 4.120 -0.000 0.000 0.313 153 V C -0.087 176.054 176.094 0.078 0.000 1.099 153 V CA -1.233 61.105 62.300 0.062 0.000 0.971 153 V CB 1.582 33.448 31.823 0.072 0.000 1.028 153 V HN 0.604 nan 8.190 nan 0.000 0.430 154 A N 3.452 126.318 122.820 0.077 0.000 2.567 154 A HA 0.503 4.823 4.320 -0.000 0.000 0.240 154 A C -0.702 176.943 177.584 0.101 0.000 1.053 154 A CA 0.494 52.567 52.037 0.060 0.000 0.755 154 A CB -0.593 18.416 19.000 0.016 0.000 0.978 154 A HN 1.632 nan 8.150 nan 0.000 0.507 155 F N 2.445 122.325 119.950 -0.115 0.000 2.539 155 F HA 0.653 5.180 4.527 -0.000 0.000 0.318 155 F C 0.300 175.985 175.800 -0.192 0.000 1.135 155 F CA 0.781 58.671 58.000 -0.183 0.000 0.915 155 F CB 1.625 40.424 39.000 -0.335 0.000 1.176 155 F HN 1.189 nan 8.300 nan 0.000 0.440 156 G N 2.581 110.895 108.800 -0.810 0.000 2.359 156 G HA2 0.214 4.174 3.960 -0.000 0.000 0.293 156 G HA3 0.214 4.174 3.960 -0.000 0.000 0.293 156 G C -0.077 174.550 174.900 -0.454 0.000 1.300 156 G CA -0.146 44.539 45.100 -0.692 0.000 0.888 156 G HN 0.961 nan 8.290 nan 0.000 0.541 157 T N -2.330 112.019 114.554 -0.342 0.000 3.065 157 T HA 0.141 4.491 4.350 -0.000 0.000 0.252 157 T C 0.891 175.509 174.700 -0.138 0.000 1.099 157 T CA 1.491 63.471 62.100 -0.200 0.000 1.063 157 T CB -0.009 68.755 68.868 -0.173 0.000 0.948 157 T HN 0.691 nan 8.240 nan 0.000 0.506 158 D N 1.966 122.141 120.400 -0.375 0.000 3.060 158 D HA 0.208 4.848 4.640 -0.000 0.000 0.245 158 D C -0.025 176.079 176.300 -0.327 0.000 1.274 158 D CA -0.372 53.145 54.000 -0.804 0.000 0.864 158 D CB -0.402 39.861 40.800 -0.894 0.000 1.073 158 D HN 0.402 nan 8.370 nan 0.000 0.473 159 L N -0.145 121.064 121.223 -0.024 0.000 2.334 159 L HA 0.520 4.860 4.340 -0.000 0.000 0.272 159 L C -0.605 176.256 176.870 -0.015 0.000 1.020 159 L CA -1.229 53.548 54.840 -0.105 0.000 0.812 159 L CB 1.715 43.649 42.059 -0.208 0.000 1.264 159 L HN -0.057 nan 8.230 nan 0.000 0.439 160 L N 2.261 123.269 121.223 -0.357 0.000 2.436 160 L HA 0.482 4.822 4.340 -0.000 0.000 0.268 160 L C -1.106 175.412 176.870 -0.586 0.000 0.974 160 L CA -0.103 54.588 54.840 -0.249 0.000 0.826 160 L CB 1.760 43.791 42.059 -0.046 0.000 1.291 160 L HN 0.225 nan 8.230 nan 0.000 0.406 161 F N 2.951 122.935 119.950 0.056 0.000 2.308 161 F HA 0.691 5.218 4.527 -0.000 0.000 0.370 161 F C 0.599 176.437 175.800 0.063 0.000 1.100 161 F CA -0.739 57.332 58.000 0.118 0.000 1.108 161 F CB 1.242 40.278 39.000 0.061 0.000 1.293 161 F HN 0.504 nan 8.300 nan 0.000 0.478 162 A N 2.548 125.393 122.820 0.042 0.000 2.260 162 A HA 0.767 5.087 4.320 -0.000 0.000 0.308 162 A C 0.087 177.330 177.584 -0.568 0.000 1.254 162 A CA -0.655 51.264 52.037 -0.197 0.000 0.874 162 A CB 0.210 19.126 19.000 -0.140 0.000 1.153 162 A HN 0.817 nan 8.150 nan 0.000 0.527 163 A N 2.476 124.799 122.820 -0.828 0.000 2.454 163 A HA 0.443 4.763 4.320 -0.000 0.000 0.260 163 A C 1.399 178.679 177.584 -0.506 0.000 1.106 163 A CA 0.293 51.676 52.037 -1.089 0.000 0.780 163 A CB -0.043 18.639 19.000 -0.529 0.000 1.044 163 A HN 1.731 nan 8.150 nan 0.000 0.498 164 S N 1.350 116.784 115.700 -0.444 0.000 2.425 164 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 164 S C 0.865 175.383 174.600 -0.137 0.000 1.024 164 S CA 0.946 59.014 58.200 -0.220 0.000 0.951 164 S CB -0.258 62.846 63.200 -0.159 0.000 0.796 164 S HN 0.770 nan 8.310 nan 0.000 0.498 165 D N 0.729 121.052 120.400 -0.127 0.000 2.328 165 D HA 0.174 4.814 4.640 -0.000 0.000 0.226 165 D C 0.256 176.529 176.300 -0.045 0.000 1.066 165 D CA -0.062 53.896 54.000 -0.071 0.000 0.861 165 D CB -0.185 40.586 40.800 -0.049 0.000 0.912 165 D HN 0.452 nan 8.370 nan 0.000 0.521 166 L N 0.172 121.364 121.223 -0.051 0.000 2.475 166 L HA 0.287 4.627 4.340 -0.000 0.000 0.253 166 L C -2.080 174.809 176.870 0.032 0.000 1.483 166 L CA -1.555 53.305 54.840 0.033 0.000 0.869 166 L CB 2.018 44.165 42.059 0.147 0.000 1.086 166 L HN -0.285 nan 8.230 nan 0.000 0.514 167 P HA -0.128 nan 4.420 nan 0.000 0.219 167 P C 1.321 178.633 177.300 0.019 0.000 1.144 167 P CA 1.147 64.237 63.100 -0.017 0.000 0.806 167 P CB 0.236 31.924 31.700 -0.020 0.000 0.771 168 G N -2.643 106.191 108.800 0.056 0.000 3.042 168 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 168 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 168 G C -0.210 174.799 174.900 0.182 0.000 1.166 168 G CA -0.046 45.100 45.100 0.077 0.000 0.767 168 G HN 0.176 nan 8.290 nan 0.000 0.546 169 F N 2.099 122.058 119.950 0.014 0.000 2.308 169 F HA 0.635 5.162 4.527 0.000 0.000 0.370 169 F C -0.908 174.934 175.800 0.069 0.000 1.100 169 F CA -2.194 55.841 58.000 0.059 0.000 1.108 169 F CB 1.437 40.492 39.000 0.091 0.000 1.293 169 F HN -0.206 nan 8.300 nan 0.000 0.478 170 V N 7.797 127.682 119.914 -0.048 0.000 2.447 170 V HA 0.302 4.422 4.120 -0.000 0.000 0.292 170 V C -0.809 175.255 176.094 -0.050 0.000 1.021 170 V CA -0.821 61.399 62.300 -0.133 0.000 0.850 170 V CB 1.537 33.350 31.823 -0.017 0.000 1.005 170 V HN 0.589 nan 8.190 nan 0.000 0.426 171 L N 5.308 126.465 121.223 -0.109 0.000 2.292 171 L HA 0.583 4.923 4.340 -0.000 0.000 0.284 171 L C -0.320 176.731 176.870 0.302 0.000 1.065 171 L CA 0.434 55.340 54.840 0.109 0.000 0.806 171 L CB 0.881 42.960 42.059 0.034 0.000 1.175 171 L HN 0.752 nan 8.230 nan 0.000 0.431 172 H N 4.378 123.552 119.070 0.173 0.000 2.622 172 H HA 0.630 5.186 4.556 -0.000 0.000 0.363 172 H C -1.667 173.743 175.328 0.136 0.000 1.151 172 H CA -0.784 55.379 56.048 0.193 0.000 1.184 172 H CB 2.098 31.950 29.762 0.151 0.000 1.643 172 H HN 0.489 nan 8.280 nan 0.000 0.531 173 V N 5.088 124.642 119.914 -0.600 0.000 2.495 173 V HA 0.256 4.376 4.120 -0.000 0.000 0.298 173 V C -0.086 175.739 176.094 -0.450 0.000 1.031 173 V CA -0.590 61.483 62.300 -0.378 0.000 0.871 173 V CB 1.604 33.299 31.823 -0.213 0.000 0.988 173 V HN 0.880 nan 8.190 nan 0.000 0.432 174 E N 4.889 124.993 120.200 -0.160 0.000 2.442 174 E HA 0.809 5.159 4.350 -0.000 0.000 0.261 174 E C -1.475 175.147 176.600 0.037 0.000 0.935 174 E CA -1.093 55.302 56.400 -0.008 0.000 0.856 174 E CB 2.775 32.578 29.700 0.173 0.000 1.571 174 E HN 0.433 nan 8.360 nan 0.000 0.431 175 I N 0.922 121.555 120.570 0.105 0.000 2.534 175 I HA 0.164 4.334 4.170 -0.000 0.000 0.286 175 I C 0.430 176.651 176.117 0.174 0.000 1.094 175 I CA -0.962 60.401 61.300 0.104 0.000 1.055 175 I CB 1.454 39.499 38.000 0.075 0.000 1.225 175 I HN 0.978 nan 8.210 nan 0.000 0.435 176 C N 4.383 123.796 119.300 0.187 0.000 5.761 176 C HA -0.366 4.094 4.460 -0.000 0.000 0.323 176 C C 2.673 177.906 174.990 0.404 0.000 2.402 176 C CA 2.477 61.652 59.018 0.262 0.000 2.186 176 C CB -0.987 26.805 27.740 0.086 0.000 3.191 176 C HN 1.063 nan 8.230 nan 0.000 0.261 177 E N 0.770 121.099 120.200 0.216 0.000 2.333 177 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 177 E C 1.349 178.209 176.600 0.433 0.000 1.007 177 E CA 1.740 58.280 56.400 0.232 0.000 0.845 177 E CB -0.437 29.281 29.700 0.030 0.000 0.766 177 E HN 0.749 nan 8.360 nan 0.000 0.507 178 D N -0.033 120.604 120.400 0.396 0.000 2.265 178 D HA -0.182 4.458 4.640 -0.000 0.000 0.208 178 D C 1.586 178.108 176.300 0.370 0.000 0.977 178 D CA 1.448 55.703 54.000 0.425 0.000 0.871 178 D CB -0.158 40.830 40.800 0.312 0.000 0.925 178 D HN 0.572 nan 8.370 nan 0.000 0.485 179 M N -3.180 116.631 119.600 0.351 0.000 2.356 179 M HA 0.280 4.760 4.480 -0.000 0.000 0.262 179 M C 0.366 176.607 176.300 -0.099 0.000 1.097 179 M CA 0.273 55.644 55.300 0.120 0.000 0.991 179 M CB 0.303 32.939 32.600 0.061 0.000 1.450 179 M HN -0.269 nan 8.290 nan 0.000 0.495 180 F N 1.077 121.057 119.950 0.051 0.000 2.721 180 F HA 0.292 4.819 4.527 -0.000 0.000 0.301 180 F C 0.787 176.564 175.800 -0.038 0.000 1.096 180 F CA -0.601 57.401 58.000 0.003 0.000 1.308 180 F CB 0.397 39.409 39.000 0.021 0.000 1.086 180 F HN 0.067 nan 8.300 nan 0.000 0.587 181 V N -2.506 117.464 119.914 0.093 0.000 2.617 181 V HA 0.357 4.477 4.120 -0.000 0.000 0.298 181 V C -1.601 174.465 176.094 -0.047 0.000 1.048 181 V CA -1.945 60.328 62.300 -0.045 0.000 0.964 181 V CB 0.989 32.668 31.823 -0.240 0.000 1.004 181 V HN -0.169 nan 8.190 nan 0.000 0.466 182 P HA -0.124 nan 4.420 nan 0.000 0.218 182 P C 0.616 177.894 177.300 -0.038 0.000 1.154 182 P CA 1.776 64.847 63.100 -0.049 0.000 0.872 182 P CB -0.004 31.667 31.700 -0.049 0.000 0.790 183 M N -1.442 118.138 119.600 -0.032 0.000 2.808 183 M HA 0.303 4.783 4.480 -0.000 0.000 0.225 183 M C -2.527 173.812 176.300 0.066 0.000 1.103 183 M CA -1.926 53.372 55.300 -0.003 0.000 0.982 183 M CB 1.272 33.867 32.600 -0.008 0.000 1.314 183 M HN -0.251 nan 8.290 nan 0.000 0.505 184 P HA 0.103 nan 4.420 nan 0.000 0.268 184 P C -1.960 175.453 177.300 0.188 0.000 1.205 184 P CA -0.753 62.443 63.100 0.160 0.000 0.771 184 P CB 0.061 31.830 31.700 0.114 0.000 0.858 185 P HA -0.288 nan 4.420 nan 0.000 0.219 185 P C 1.440 178.843 177.300 0.171 0.000 1.158 185 P CA 2.186 65.432 63.100 0.243 0.000 0.895 185 P CB -0.388 31.500 31.700 0.313 0.000 0.792 186 S N -1.263 114.572 115.700 0.224 0.000 2.453 186 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 186 S C 2.046 176.657 174.600 0.019 0.000 1.005 186 S CA 0.845 59.123 58.200 0.130 0.000 0.949 186 S CB -1.201 62.233 63.200 0.389 0.000 0.774 186 S HN 0.153 nan 8.310 nan 0.000 0.510 187 A N 2.431 125.270 122.820 0.032 0.000 1.883 187 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 187 A C 2.149 179.667 177.584 -0.110 0.000 1.186 187 A CA 1.635 53.654 52.037 -0.029 0.000 0.624 187 A CB -0.772 18.207 19.000 -0.034 0.000 0.822 187 A HN 0.677 nan 8.150 nan 0.000 0.444 188 E N -0.245 119.897 120.200 -0.096 0.000 2.150 188 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 188 E C 2.144 178.537 176.600 -0.345 0.000 0.985 188 E CA 0.879 57.204 56.400 -0.124 0.000 0.814 188 E CB -0.264 29.473 29.700 0.062 0.000 0.752 188 E HN 0.626 nan 8.360 nan 0.000 0.466 189 A N 1.322 123.882 122.820 -0.433 0.000 2.016 189 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 189 A C 2.319 179.628 177.584 -0.458 0.000 1.162 189 A CA 1.146 52.681 52.037 -0.836 0.000 0.662 189 A CB -0.328 18.092 19.000 -0.967 0.000 0.812 189 A HN 0.268 nan 8.150 nan 0.000 0.450 190 A N 0.327 123.020 122.820 -0.211 0.000 1.855 190 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 190 A C 2.083 179.650 177.584 -0.028 0.000 1.191 190 A CA 1.407 53.443 52.037 -0.003 0.000 0.613 190 A CB -0.744 18.346 19.000 0.150 0.000 0.829 190 A HN 0.454 nan 8.150 nan 0.000 0.442 191 L N -0.566 120.518 121.223 -0.232 0.000 2.089 191 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 191 L C 2.951 179.704 176.870 -0.195 0.000 1.079 191 L CA 1.326 55.989 54.840 -0.294 0.000 0.758 191 L CB -0.596 41.281 42.059 -0.304 0.000 0.891 191 L HN 0.452 nan 8.230 nan 0.000 0.433 192 A N -0.901 121.708 122.820 -0.351 0.000 2.066 192 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 192 A C 1.841 179.282 177.584 -0.239 0.000 1.157 192 A CA 1.366 53.159 52.037 -0.405 0.000 0.670 192 A CB -0.276 18.115 19.000 -1.016 0.000 0.804 192 A HN 0.581 nan 8.150 nan 0.000 0.453 193 G N -2.958 105.748 108.800 -0.156 0.000 2.370 193 G HA2 0.275 4.235 3.960 -0.000 0.000 0.174 193 G HA3 0.275 4.235 3.960 -0.000 0.000 0.174 193 G C 0.285 175.176 174.900 -0.015 0.000 1.002 193 G CA -0.011 45.065 45.100 -0.040 0.000 0.730 193 G HN 1.319 nan 8.290 nan 0.000 0.497 194 A N 0.923 123.717 122.820 -0.044 0.000 2.488 194 A HA 0.601 4.921 4.320 -0.000 0.000 0.249 194 A C 1.528 179.175 177.584 0.106 0.000 1.083 194 A CA 1.628 53.691 52.037 0.043 0.000 0.768 194 A CB 0.312 19.349 19.000 0.062 0.000 1.017 194 A HN 1.318 nan 8.150 nan 0.000 0.496 195 T N -0.620 114.020 114.554 0.143 0.000 3.000 195 T HA 0.278 4.628 4.350 -0.000 0.000 0.248 195 T C 0.191 175.018 174.700 0.211 0.000 1.034 195 T CA 0.506 62.704 62.100 0.163 0.000 1.060 195 T CB -0.020 68.940 68.868 0.153 0.000 0.983 195 T HN 0.379 nan 8.240 nan 0.000 0.482 196 V N 2.867 122.941 119.914 0.268 0.000 2.407 196 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 196 V C -0.741 175.483 176.094 0.217 0.000 1.018 196 V CA -0.978 61.490 62.300 0.279 0.000 0.842 196 V CB 1.602 33.697 31.823 0.454 0.000 0.996 196 V HN 0.406 nan 8.190 nan 0.000 0.426 197 L N 4.744 126.044 121.223 0.129 0.000 2.265 197 L HA 0.786 5.126 4.340 -0.000 0.000 0.289 197 L C 0.480 177.162 176.870 -0.314 0.000 1.033 197 L CA -0.401 54.443 54.840 0.007 0.000 0.814 197 L CB 1.459 43.585 42.059 0.111 0.000 1.203 197 L HN 0.686 nan 8.230 nan 0.000 0.423 198 A N 3.693 126.391 122.820 -0.203 0.000 2.306 198 A HA 0.573 4.893 4.320 -0.000 0.000 0.314 198 A C -0.488 176.937 177.584 -0.265 0.000 1.164 198 A CA -0.515 51.382 52.037 -0.234 0.000 0.822 198 A CB 0.873 19.805 19.000 -0.114 0.000 1.130 198 A HN 0.721 nan 8.150 nan 0.000 0.496 199 N N 2.020 120.587 118.700 -0.223 0.000 2.352 199 N HA 0.453 5.193 4.740 -0.000 0.000 0.291 199 N C -2.057 173.384 175.510 -0.116 0.000 1.040 199 N CA -0.427 52.585 53.050 -0.064 0.000 0.864 199 N CB 1.259 39.867 38.487 0.200 0.000 1.440 199 N HN 0.367 nan 8.380 nan 0.000 0.483 200 L N 1.973 123.149 121.223 -0.079 0.000 2.265 200 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 200 L C 0.419 177.227 176.870 -0.103 0.000 1.033 200 L CA -0.163 54.615 54.840 -0.104 0.000 0.814 200 L CB 1.349 43.385 42.059 -0.039 0.000 1.203 200 L HN 0.387 nan 8.230 nan 0.000 0.423 201 S N 0.741 116.315 115.700 -0.211 0.000 2.568 201 S HA 0.693 5.163 4.470 -0.000 0.000 0.302 201 S C 0.758 175.280 174.600 -0.130 0.000 1.082 201 S CA -0.204 57.910 58.200 -0.145 0.000 1.009 201 S CB 1.879 64.999 63.200 -0.133 0.000 1.069 201 S HN 0.782 nan 8.310 nan 0.000 0.500 202 G N 0.534 109.195 108.800 -0.230 0.000 2.615 202 G HA2 0.209 4.169 3.960 -0.000 0.000 0.213 202 G HA3 0.209 4.169 3.960 -0.000 0.000 0.213 202 G C 0.213 175.131 174.900 0.030 0.000 1.215 202 G CA 0.515 45.412 45.100 -0.340 0.000 0.843 202 G HN 1.193 nan 8.290 nan 0.000 0.571 203 S N 1.153 116.861 115.700 0.013 0.000 3.530 203 S HA -0.090 4.380 4.470 -0.000 0.000 0.472 203 S C -2.341 172.365 174.600 0.177 0.000 0.818 203 S CA 0.275 58.576 58.200 0.168 0.000 1.367 203 S CB -0.903 62.429 63.200 0.221 0.000 0.912 203 S HN 0.349 nan 8.310 nan 0.000 0.672 204 P HA 0.220 nan 4.420 nan 0.000 0.266 204 P C 0.295 177.454 177.300 -0.235 0.000 1.195 204 P CA -0.410 62.392 63.100 -0.495 0.000 0.768 204 P CB 0.428 31.688 31.700 -0.734 0.000 0.838 205 I N 2.706 123.122 120.570 -0.257 0.000 2.519 205 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 205 I C 0.117 176.200 176.117 -0.058 0.000 1.047 205 I CA 0.832 62.080 61.300 -0.087 0.000 1.381 205 I CB 0.572 38.529 38.000 -0.072 0.000 1.417 205 I HN 0.286 nan 8.210 nan 0.000 0.540 206 T N 6.794 121.355 114.554 0.013 0.000 2.889 206 T HA 0.470 4.820 4.350 -0.000 0.000 0.315 206 T C -0.418 174.317 174.700 0.059 0.000 1.291 206 T CA -0.580 61.532 62.100 0.020 0.000 1.028 206 T CB 1.117 69.989 68.868 0.007 0.000 1.235 206 T HN 0.398 nan 8.240 nan 0.000 0.491 207 I N 2.590 123.193 120.570 0.054 0.000 2.821 207 I HA 0.156 4.326 4.170 -0.000 0.000 0.294 207 I C 1.595 177.749 176.117 0.061 0.000 1.210 207 I CA 1.769 63.105 61.300 0.060 0.000 1.430 207 I CB 0.128 38.154 38.000 0.043 0.000 1.356 207 I HN 1.086 nan 8.210 nan 0.000 0.563 208 G N 5.177 114.017 108.800 0.068 0.000 2.284 208 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.247 208 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.247 208 G C 1.305 176.250 174.900 0.076 0.000 1.012 208 G CA 0.552 45.691 45.100 0.065 0.000 0.618 208 G HN 0.693 nan 8.290 nan 0.000 0.521 209 R N 1.187 121.738 120.500 0.085 0.000 2.152 209 R HA 0.293 4.633 4.340 -0.000 0.000 0.232 209 R C 2.816 179.180 176.300 0.108 0.000 1.117 209 R CA 2.163 58.327 56.100 0.106 0.000 0.981 209 R CB -0.440 29.923 30.300 0.104 0.000 0.870 209 R HN 0.759 nan 8.270 nan 0.000 0.451 210 A N 0.631 123.503 122.820 0.087 0.000 1.968 210 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 210 A C 1.997 179.613 177.584 0.053 0.000 1.169 210 A CA 1.288 53.369 52.037 0.072 0.000 0.638 210 A CB -0.432 18.611 19.000 0.072 0.000 0.812 210 A HN 0.575 nan 8.150 nan 0.000 0.446 211 E N -0.018 120.216 120.200 0.056 0.000 2.077 211 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 211 E C 1.135 177.741 176.600 0.010 0.000 0.989 211 E CA 1.327 57.748 56.400 0.035 0.000 0.800 211 E CB -0.088 29.635 29.700 0.039 0.000 0.746 211 E HN 0.532 nan 8.360 nan 0.000 0.452 212 D N 0.302 120.731 120.400 0.049 0.000 2.097 212 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 212 D C 2.104 178.417 176.300 0.022 0.000 0.989 212 D CA 1.007 55.051 54.000 0.074 0.000 0.827 212 D CB -0.255 40.656 40.800 0.185 0.000 0.966 212 D HN 0.144 nan 8.370 nan 0.000 0.456 213 R N 0.507 121.039 120.500 0.054 0.000 2.096 213 R HA -0.087 4.253 4.340 -0.000 0.000 0.240 213 R C 2.472 178.603 176.300 -0.282 0.000 1.139 213 R CA 1.252 57.289 56.100 -0.105 0.000 0.952 213 R CB -0.159 30.038 30.300 -0.172 0.000 0.854 213 R HN 0.174 nan 8.270 nan 0.000 0.436 214 R N 0.193 120.589 120.500 -0.173 0.000 2.066 214 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 214 R C 2.305 178.364 176.300 -0.402 0.000 1.131 214 R CA 1.168 57.151 56.100 -0.195 0.000 0.955 214 R CB -0.571 29.744 30.300 0.025 0.000 0.851 214 R HN 0.111 nan 8.270 nan 0.000 0.432 215 L N 1.090 122.150 121.223 -0.273 0.000 2.043 215 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 215 L C 1.754 178.386 176.870 -0.397 0.000 1.075 215 L CA 1.815 56.485 54.840 -0.285 0.000 0.752 215 L CB -0.252 41.707 42.059 -0.166 0.000 0.891 215 L HN 0.170 nan 8.230 nan 0.000 0.432 216 L N -1.451 119.502 121.223 -0.449 0.000 2.416 216 L HA 0.113 4.453 4.340 -0.000 0.000 0.216 216 L C 2.420 178.879 176.870 -0.686 0.000 1.098 216 L CA 0.641 55.156 54.840 -0.542 0.000 0.840 216 L CB -0.624 41.024 42.059 -0.686 0.000 0.981 216 L HN 0.313 nan 8.230 nan 0.000 0.462 217 A N 0.469 122.832 122.820 -0.761 0.000 1.975 217 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 217 A C 2.377 179.327 177.584 -1.056 0.000 1.170 217 A CA 0.943 52.403 52.037 -0.962 0.000 0.656 217 A CB -0.278 18.371 19.000 -0.585 0.000 0.821 217 A HN 0.333 nan 8.150 nan 0.000 0.449 218 R N 0.586 120.331 120.500 -1.258 0.000 2.062 218 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 218 R C 2.343 178.274 176.300 -0.614 0.000 1.128 218 R CA 2.102 57.403 56.100 -1.331 0.000 0.960 218 R CB -0.421 28.880 30.300 -1.665 0.000 0.855 218 R HN 0.521 nan 8.270 nan 0.000 0.432 219 S N 0.400 115.802 115.700 -0.496 0.000 2.383 219 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 219 S C 2.225 176.673 174.600 -0.252 0.000 1.026 219 S CA 0.772 58.792 58.200 -0.300 0.000 0.981 219 S CB -0.325 62.725 63.200 -0.250 0.000 0.818 219 S HN 0.481 nan 8.310 nan 0.000 0.472 220 A N 2.682 125.290 122.820 -0.354 0.000 1.883 220 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 220 A C 2.585 180.099 177.584 -0.116 0.000 1.186 220 A CA 2.435 54.310 52.037 -0.270 0.000 0.624 220 A CB -1.489 17.221 19.000 -0.483 0.000 0.822 220 A HN 0.905 nan 8.150 nan 0.000 0.444 221 S N -0.088 115.534 115.700 -0.131 0.000 2.419 221 S HA 0.087 4.557 4.470 -0.000 0.000 0.233 221 S C 1.960 176.598 174.600 0.063 0.000 1.016 221 S CA 1.347 59.589 58.200 0.069 0.000 0.974 221 S CB -0.507 62.792 63.200 0.165 0.000 0.786 221 S HN 0.868 nan 8.310 nan 0.000 0.492 222 A N 2.082 124.898 122.820 -0.007 0.000 1.850 222 A HA 0.214 4.534 4.320 -0.000 0.000 0.212 222 A C 2.340 179.950 177.584 0.042 0.000 1.208 222 A CA 0.937 52.982 52.037 0.014 0.000 0.609 222 A CB -0.644 18.337 19.000 -0.031 0.000 0.860 222 A HN 0.464 nan 8.150 nan 0.000 0.448 223 R N -0.898 119.616 120.500 0.022 0.000 2.120 223 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 223 R C 1.389 177.787 176.300 0.164 0.000 1.123 223 R CA 1.610 57.748 56.100 0.064 0.000 0.975 223 R CB -0.379 29.925 30.300 0.007 0.000 0.866 223 R HN 0.588 nan 8.270 nan 0.000 0.446 224 C N 0.320 119.718 119.300 0.164 0.000 2.697 224 C HA 0.244 4.704 4.460 -0.000 0.000 0.267 224 C C 0.109 175.274 174.990 0.291 0.000 1.278 224 C CA -0.646 58.550 59.018 0.298 0.000 1.708 224 C CB -0.842 27.027 27.740 0.216 0.000 1.860 224 C HN 0.522 nan 8.230 nan 0.000 0.589 225 L N 0.306 121.615 121.223 0.143 0.000 3.660 225 L HA -0.220 4.120 4.340 -0.000 0.000 0.440 225 L C 0.437 177.334 176.870 0.044 0.000 1.262 225 L CA 1.237 56.082 54.840 0.008 0.000 0.837 225 L CB -2.253 39.656 42.059 -0.250 0.000 1.689 225 L HN 0.540 nan 8.230 nan 0.000 0.890 226 A N -1.263 121.632 122.820 0.124 0.000 2.479 226 A HA 0.969 5.289 4.320 -0.000 0.000 0.296 226 A C 0.152 177.855 177.584 0.197 0.000 1.121 226 A CA -0.163 51.972 52.037 0.163 0.000 0.743 226 A CB 1.265 20.396 19.000 0.217 0.000 1.323 226 A HN 0.869 nan 8.150 nan 0.000 0.415 227 A N -0.186 122.752 122.820 0.195 0.000 2.371 227 A HA 0.566 4.886 4.320 -0.000 0.000 0.257 227 A C -1.028 176.735 177.584 0.298 0.000 1.089 227 A CA 0.086 52.255 52.037 0.222 0.000 0.794 227 A CB 0.014 19.105 19.000 0.152 0.000 1.029 227 A HN 1.166 nan 8.150 nan 0.000 0.488 228 Y N 1.614 122.050 120.300 0.226 0.000 2.326 228 Y HA 0.482 5.032 4.550 -0.000 0.000 0.329 228 Y C -0.761 175.302 175.900 0.271 0.000 0.973 228 Y CA -0.449 57.797 58.100 0.243 0.000 1.162 228 Y CB 1.915 40.514 38.460 0.232 0.000 1.147 228 Y HN 0.435 nan 8.280 nan 0.000 0.456 229 V N 7.143 127.032 119.914 -0.041 0.000 2.357 229 V HA 0.283 4.403 4.120 -0.000 0.000 0.284 229 V C -1.264 174.870 176.094 0.067 0.000 1.018 229 V CA -0.883 61.451 62.300 0.057 0.000 0.841 229 V CB 1.008 32.824 31.823 -0.011 0.000 0.991 229 V HN 0.641 nan 8.190 nan 0.000 0.437 230 Y N 4.067 124.422 120.300 0.092 0.000 2.361 230 Y HA 0.777 5.327 4.550 -0.000 0.000 0.337 230 Y C -0.190 175.764 175.900 0.091 0.000 0.965 230 Y CA -0.633 57.556 58.100 0.148 0.000 1.091 230 Y CB 1.720 40.376 38.460 0.327 0.000 1.182 230 Y HN 0.729 nan 8.280 nan 0.000 0.450 231 A N 4.368 126.914 122.820 -0.456 0.000 2.374 231 A HA 0.943 5.263 4.320 -0.000 0.000 0.305 231 A C -1.530 175.823 177.584 -0.385 0.000 1.053 231 A CA -0.170 51.705 52.037 -0.271 0.000 0.726 231 A CB 0.920 19.820 19.000 -0.167 0.000 1.229 231 A HN 1.146 nan 8.150 nan 0.000 0.431 232 A N 1.170 123.910 122.820 -0.134 0.000 2.380 232 A HA 0.891 5.211 4.320 -0.000 0.000 0.315 232 A C 0.350 177.967 177.584 0.054 0.000 1.101 232 A CA -0.079 51.935 52.037 -0.037 0.000 0.771 232 A CB 1.084 20.163 19.000 0.131 0.000 1.287 232 A HN 2.376 nan 8.150 nan 0.000 0.436 233 A N 0.203 123.065 122.820 0.070 0.000 2.445 233 A HA 0.587 4.907 4.320 -0.000 0.000 0.242 233 A C 0.863 178.512 177.584 0.109 0.000 1.075 233 A CA 0.667 52.732 52.037 0.048 0.000 0.777 233 A CB -0.059 18.887 19.000 -0.090 0.000 1.013 233 A HN 1.921 nan 8.150 nan 0.000 0.493 234 G N -0.085 108.728 108.800 0.021 0.000 3.359 234 G HA2 0.430 4.390 3.960 -0.000 0.000 0.187 234 G HA3 0.430 4.390 3.960 -0.000 0.000 0.187 234 G C -0.432 174.478 174.900 0.016 0.000 1.294 234 G CA -0.505 44.655 45.100 0.099 0.000 0.769 234 G HN 0.743 nan 8.290 nan 0.000 0.733 235 E N 0.536 120.762 120.200 0.044 0.000 2.452 235 E HA 0.341 4.691 4.350 -0.000 0.000 0.261 235 E C 1.001 177.489 176.600 -0.186 0.000 0.987 235 E CA 1.216 57.644 56.400 0.047 0.000 0.926 235 E CB 0.711 30.511 29.700 0.167 0.000 0.934 235 E HN 1.004 nan 8.360 nan 0.000 0.452 236 G N 2.721 111.407 108.800 -0.190 0.000 2.284 236 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 236 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 236 G C 0.242 174.936 174.900 -0.343 0.000 1.009 236 G CA -0.338 44.535 45.100 -0.377 0.000 0.625 236 G HN 0.485 nan 8.290 nan 0.000 0.501 237 E N 1.167 121.070 120.200 -0.495 0.000 2.408 237 E HA 0.375 4.725 4.350 -0.000 0.000 0.259 237 E C 0.579 177.039 176.600 -0.233 0.000 1.110 237 E CA 0.351 56.325 56.400 -0.710 0.000 0.929 237 E CB 1.135 29.623 29.700 -2.021 0.000 0.971 237 E HN 0.271 nan 8.360 nan 0.000 0.438 238 S N 0.317 115.988 115.700 -0.049 0.000 2.533 238 S HA 0.036 4.506 4.470 -0.000 0.000 0.282 238 S C 0.658 175.500 174.600 0.403 0.000 1.304 238 S CA -0.031 58.259 58.200 0.150 0.000 1.063 238 S CB 0.130 63.388 63.200 0.097 0.000 0.881 238 S HN 0.512 nan 8.310 nan 0.000 0.493 239 T N 1.912 116.626 114.554 0.266 0.000 3.258 239 T HA 0.189 4.539 4.350 -0.000 0.000 0.263 239 T C 1.333 176.098 174.700 0.107 0.000 0.983 239 T CA -0.285 61.947 62.100 0.219 0.000 0.907 239 T CB -0.247 68.734 68.868 0.189 0.000 1.096 239 T HN 0.548 nan 8.240 nan 0.000 0.556 240 T N 1.862 116.473 114.554 0.096 0.000 2.684 240 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 240 T C 1.129 175.839 174.700 0.016 0.000 1.036 240 T CA 1.531 63.657 62.100 0.043 0.000 1.148 240 T CB -0.119 68.766 68.868 0.028 0.000 0.863 240 T HN 0.503 nan 8.240 nan 0.000 0.436 241 D N -0.549 119.858 120.400 0.011 0.000 2.510 241 D HA 0.330 4.970 4.640 -0.000 0.000 0.234 241 D C -0.082 176.170 176.300 -0.081 0.000 1.178 241 D CA 0.093 54.071 54.000 -0.035 0.000 0.816 241 D CB 1.168 41.936 40.800 -0.054 0.000 1.143 241 D HN 0.290 nan 8.370 nan 0.000 0.526 242 L N 0.165 121.332 121.223 -0.092 0.000 2.479 242 L HA 0.720 5.060 4.340 -0.000 0.000 0.255 242 L C -1.017 175.624 176.870 -0.381 0.000 1.026 242 L CA -1.016 53.651 54.840 -0.287 0.000 0.842 242 L CB 2.263 44.044 42.059 -0.463 0.000 1.444 242 L HN -0.221 nan 8.230 nan 0.000 0.409 243 A N -0.041 122.410 122.820 -0.615 0.000 2.386 243 A HA 0.914 5.234 4.320 -0.000 0.000 0.308 243 A C -2.310 174.678 177.584 -0.994 0.000 1.128 243 A CA -0.393 51.295 52.037 -0.581 0.000 0.789 243 A CB 1.191 20.131 19.000 -0.099 0.000 1.325 243 A HN 0.617 nan 8.150 nan 0.000 0.437 244 W N 0.345 121.693 121.300 0.080 0.000 2.883 244 W HA 0.507 5.167 4.660 -0.000 0.000 0.335 244 W C -0.134 176.323 176.519 -0.103 0.000 1.083 244 W CA -0.364 56.985 57.345 0.005 0.000 1.233 244 W CB 1.593 31.061 29.460 0.013 0.000 1.412 244 W HN 0.786 nan 8.180 nan 0.000 0.490 245 D N -0.216 120.118 120.400 -0.111 0.000 2.441 245 D HA 0.139 4.779 4.640 -0.000 0.000 0.210 245 D C 1.607 177.788 176.300 -0.198 0.000 1.102 245 D CA 0.281 53.957 54.000 -0.539 0.000 0.840 245 D CB 0.077 40.142 40.800 -1.224 0.000 0.990 245 D HN 0.730 nan 8.370 nan 0.000 0.505 246 G N 1.113 109.915 108.800 0.004 0.000 2.203 246 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.263 246 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.263 246 G C 0.091 175.022 174.900 0.053 0.000 1.012 246 G CA 0.493 45.623 45.100 0.050 0.000 0.749 246 G HN 0.659 nan 8.290 nan 0.000 0.512 247 Q N 0.846 120.681 119.800 0.059 0.000 2.286 247 Q HA 0.423 4.763 4.340 -0.000 0.000 0.290 247 Q C 0.771 176.896 176.000 0.209 0.000 1.049 247 Q CA 1.031 56.905 55.803 0.119 0.000 0.923 247 Q CB 0.283 29.110 28.738 0.149 0.000 1.183 247 Q HN 0.689 nan 8.270 nan 0.000 0.383 248 T N 2.052 116.707 114.554 0.168 0.000 2.906 248 T HA 0.779 5.129 4.350 -0.000 0.000 0.295 248 T C -0.438 174.366 174.700 0.173 0.000 1.061 248 T CA -1.046 61.169 62.100 0.192 0.000 1.000 248 T CB 1.368 70.278 68.868 0.069 0.000 1.103 248 T HN 0.731 nan 8.240 nan 0.000 0.486 249 M N 1.068 120.796 119.600 0.214 0.000 2.562 249 M HA 0.625 5.105 4.480 -0.000 0.000 0.281 249 M C -2.196 174.146 176.300 0.070 0.000 1.195 249 M CA -1.062 54.284 55.300 0.077 0.000 0.888 249 M CB 1.835 34.481 32.600 0.076 0.000 1.731 249 M HN 0.564 nan 8.290 nan 0.000 0.493 250 I N 1.523 122.010 120.570 -0.138 0.000 2.447 250 I HA 0.532 4.702 4.170 -0.000 0.000 0.287 250 I C -1.739 174.222 176.117 -0.259 0.000 1.023 250 I CA -0.221 61.038 61.300 -0.069 0.000 1.083 250 I CB 1.483 39.447 38.000 -0.061 0.000 1.245 250 I HN 0.698 nan 8.210 nan 0.000 0.434 251 W N 4.485 125.855 121.300 0.117 0.000 2.551 251 W HA 0.543 5.203 4.660 -0.000 0.000 0.330 251 W C 0.009 176.586 176.519 0.097 0.000 1.063 251 W CA -0.442 56.959 57.345 0.094 0.000 1.222 251 W CB 1.379 30.898 29.460 0.098 0.000 1.349 251 W HN 0.351 nan 8.180 nan 0.000 0.536 252 E N 2.537 122.918 120.200 0.301 0.000 2.244 252 E HA 0.121 4.471 4.350 -0.000 0.000 0.260 252 E C 0.159 176.880 176.600 0.202 0.000 0.884 252 E CA -0.430 56.097 56.400 0.211 0.000 0.777 252 E CB 0.748 30.522 29.700 0.122 0.000 1.197 252 E HN 0.562 nan 8.360 nan 0.000 0.416 253 N N 3.653 122.460 118.700 0.178 0.000 2.693 253 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 253 N C 0.447 176.034 175.510 0.129 0.000 1.119 253 N CA 2.181 55.311 53.050 0.132 0.000 0.717 253 N CB -1.139 37.414 38.487 0.109 0.000 1.071 253 N HN 0.955 nan 8.380 nan 0.000 0.555 254 G N -3.519 105.388 108.800 0.179 0.000 2.201 254 G HA2 0.096 4.056 3.960 -0.000 0.000 0.212 254 G HA3 0.096 4.056 3.960 -0.000 0.000 0.212 254 G C 0.123 175.221 174.900 0.329 0.000 0.994 254 G CA 0.511 45.703 45.100 0.152 0.000 0.644 254 G HN 1.283 nan 8.290 nan 0.000 0.508 255 A N 0.544 123.572 122.820 0.347 0.000 2.312 255 A HA 0.783 5.103 4.320 -0.000 0.000 0.326 255 A C 0.203 177.881 177.584 0.157 0.000 1.172 255 A CA -0.514 51.679 52.037 0.261 0.000 0.821 255 A CB 1.114 20.183 19.000 0.114 0.000 1.166 255 A HN 0.874 nan 8.150 nan 0.000 0.493 256 L N 3.540 124.636 121.223 -0.212 0.000 2.325 256 L HA 0.095 4.435 4.340 -0.000 0.000 0.284 256 L C 0.197 176.831 176.870 -0.393 0.000 1.089 256 L CA -0.453 53.924 54.840 -0.770 0.000 0.836 256 L CB 0.685 42.299 42.059 -0.742 0.000 1.184 256 L HN 0.789 nan 8.230 nan 0.000 0.444 257 L N 5.137 126.156 121.223 -0.340 0.000 2.068 257 L HA 0.202 4.542 4.340 -0.000 0.000 0.204 257 L C 0.854 177.595 176.870 -0.214 0.000 1.076 257 L CA 1.188 55.907 54.840 -0.201 0.000 0.753 257 L CB -0.675 41.309 42.059 -0.126 0.000 0.910 257 L HN 0.709 nan 8.230 nan 0.000 0.439 258 A N -1.132 121.532 122.820 -0.259 0.000 2.606 258 A HA 0.694 5.014 4.320 -0.000 0.000 0.293 258 A C -1.216 176.243 177.584 -0.208 0.000 1.082 258 A CA -0.455 51.467 52.037 -0.193 0.000 0.685 258 A CB 1.508 20.429 19.000 -0.133 0.000 1.284 258 A HN 0.180 nan 8.150 nan 0.000 0.408 259 E N -0.286 119.833 120.200 -0.135 0.000 2.407 259 E HA 0.650 5.000 4.350 -0.000 0.000 0.279 259 E C -0.729 175.848 176.600 -0.039 0.000 1.012 259 E CA -0.474 55.874 56.400 -0.087 0.000 0.800 259 E CB 1.560 31.203 29.700 -0.095 0.000 1.276 259 E HN 0.943 nan 8.360 nan 0.000 0.452 260 S N 0.366 116.064 115.700 -0.002 0.000 2.718 260 S HA 0.322 4.792 4.470 -0.000 0.000 0.300 260 S C 0.007 174.623 174.600 0.027 0.000 1.117 260 S CA -0.932 57.274 58.200 0.011 0.000 1.002 260 S CB 1.397 64.608 63.200 0.019 0.000 1.092 260 S HN 0.700 nan 8.310 nan 0.000 0.542 261 E N 0.631 120.853 120.200 0.036 0.000 2.415 261 E HA 0.023 4.373 4.350 -0.000 0.000 0.263 261 E C -0.399 176.242 176.600 0.068 0.000 0.995 261 E CA -0.125 56.310 56.400 0.058 0.000 0.915 261 E CB 0.413 30.151 29.700 0.063 0.000 0.951 261 E HN 0.447 nan 8.360 nan 0.000 0.449 262 R N 3.340 123.894 120.500 0.089 0.000 2.438 262 R HA 0.128 4.468 4.340 -0.000 0.000 0.287 262 R C -0.325 176.096 176.300 0.201 0.000 1.077 262 R CA -0.132 55.995 56.100 0.045 0.000 1.034 262 R CB 0.239 30.581 30.300 0.070 0.000 0.993 262 R HN 0.651 nan 8.270 nan 0.000 0.459 263 F N -0.013 119.990 119.950 0.088 0.000 3.056 263 F HA -0.165 4.362 4.527 0.000 0.000 0.301 263 F C -1.702 174.143 175.800 0.076 0.000 0.907 263 F CA -0.444 57.608 58.000 0.086 0.000 1.113 263 F CB -1.774 37.268 39.000 0.070 0.000 1.123 263 F HN 0.476 nan 8.300 nan 0.000 0.661 264 P HA 0.087 nan 4.420 nan 0.000 0.271 264 P C -0.043 177.333 177.300 0.127 0.000 1.218 264 P CA -0.121 63.060 63.100 0.134 0.000 0.780 264 P CB 0.892 32.649 31.700 0.095 0.000 0.901 265 K N 1.971 122.430 120.400 0.099 0.000 2.292 265 K HA 0.478 4.798 4.320 -0.000 0.000 0.290 265 K C 0.897 177.532 176.600 0.059 0.000 1.083 265 K CA 0.406 56.739 56.287 0.076 0.000 0.918 265 K CB 0.026 32.560 32.500 0.056 0.000 1.089 265 K HN 0.945 nan 8.250 nan 0.000 0.473 266 G N 0.612 109.448 108.800 0.061 0.000 2.655 266 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.680 266 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.680 266 G C -0.320 174.623 174.900 0.071 0.000 1.302 266 G CA -0.522 44.605 45.100 0.045 0.000 0.872 266 G HN 0.492 nan 8.290 nan 0.000 0.540 267 V N -1.622 118.335 119.914 0.072 0.000 3.051 267 V HA 0.912 5.032 4.120 -0.000 0.000 0.306 267 V C 0.442 176.581 176.094 0.075 0.000 1.083 267 V CA -0.319 62.038 62.300 0.095 0.000 1.104 267 V CB 1.473 33.370 31.823 0.123 0.000 1.027 267 V HN 1.109 nan 8.190 nan 0.000 0.483 268 R N 2.309 122.853 120.500 0.074 0.000 2.774 268 R HA 0.675 5.015 4.340 -0.000 0.000 0.272 268 R C -1.107 175.209 176.300 0.026 0.000 1.000 268 R CA -0.818 55.310 56.100 0.047 0.000 0.906 268 R CB 2.396 32.723 30.300 0.046 0.000 1.227 268 R HN 0.913 nan 8.270 nan 0.000 0.468 269 R N -0.297 120.206 120.500 0.004 0.000 2.651 269 R HA 0.454 4.794 4.340 -0.000 0.000 0.278 269 R C -0.939 175.343 176.300 -0.031 0.000 1.010 269 R CA -0.495 55.588 56.100 -0.028 0.000 0.896 269 R CB 2.496 32.776 30.300 -0.033 0.000 1.211 269 R HN 0.472 nan 8.270 nan 0.000 0.456 270 S N 1.575 117.248 115.700 -0.044 0.000 2.422 270 S HA 0.420 4.890 4.470 -0.000 0.000 0.308 270 S C -0.499 174.062 174.600 -0.065 0.000 1.097 270 S CA -0.709 57.460 58.200 -0.052 0.000 1.099 270 S CB 1.245 64.416 63.200 -0.049 0.000 0.976 270 S HN 0.229 nan 8.310 nan 0.000 0.471 271 V N 2.287 122.162 119.914 -0.065 0.000 2.581 271 V HA 0.958 5.078 4.120 -0.000 0.000 0.303 271 V C 0.057 176.101 176.094 -0.084 0.000 1.041 271 V CA -0.627 61.632 62.300 -0.070 0.000 0.907 271 V CB 1.413 33.202 31.823 -0.057 0.000 0.994 271 V HN 0.977 nan 8.190 nan 0.000 0.442 272 A N 2.451 125.216 122.820 -0.091 0.000 2.589 272 A HA 0.685 5.005 4.320 -0.000 0.000 0.296 272 A C -1.599 175.916 177.584 -0.115 0.000 1.062 272 A CA -0.696 51.278 52.037 -0.106 0.000 0.686 272 A CB 1.525 20.467 19.000 -0.098 0.000 1.282 272 A HN 0.680 nan 8.150 nan 0.000 0.404 273 D N 1.503 121.815 120.400 -0.147 0.000 2.316 273 D HA 0.412 5.052 4.640 -0.000 0.000 0.245 273 D C -0.204 176.107 176.300 0.019 0.000 1.171 273 D CA 0.311 54.230 54.000 -0.136 0.000 0.856 273 D CB 1.510 42.109 40.800 -0.335 0.000 1.090 273 D HN 0.200 nan 8.370 nan 0.000 0.476 274 V N 2.834 122.782 119.914 0.056 0.000 2.465 274 V HA 0.056 4.176 4.120 -0.000 0.000 0.279 274 V C 0.406 176.588 176.094 0.147 0.000 1.045 274 V CA -0.612 61.736 62.300 0.080 0.000 0.938 274 V CB 1.670 33.494 31.823 0.002 0.000 0.986 274 V HN 0.398 nan 8.190 nan 0.000 0.467 275 D N 3.414 123.859 120.400 0.075 0.000 2.380 275 D HA 0.111 4.751 4.640 -0.000 0.000 0.230 275 D C 1.330 177.498 176.300 -0.221 0.000 1.154 275 D CA 0.024 53.855 54.000 -0.282 0.000 0.859 275 D CB 1.588 42.232 40.800 -0.261 0.000 1.045 275 D HN 0.736 nan 8.370 nan 0.000 0.495 276 T N 0.477 114.882 114.554 -0.248 0.000 3.118 276 T HA -0.020 4.330 4.350 -0.000 0.000 0.260 276 T C 1.119 175.751 174.700 -0.113 0.000 1.139 276 T CA 0.690 62.720 62.100 -0.116 0.000 1.085 276 T CB 0.020 68.854 68.868 -0.056 0.000 0.934 276 T HN 0.401 nan 8.240 nan 0.000 0.518 277 E N 0.405 120.483 120.200 -0.202 0.000 2.190 277 E HA 0.199 4.549 4.350 -0.000 0.000 0.191 277 E C 2.049 178.719 176.600 0.117 0.000 0.978 277 E CA 0.238 56.597 56.400 -0.069 0.000 0.839 277 E CB -0.112 29.462 29.700 -0.210 0.000 0.787 277 E HN 0.422 nan 8.360 nan 0.000 0.473 278 L N 1.305 122.545 121.223 0.029 0.000 1.970 278 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 278 L C 2.235 179.107 176.870 0.003 0.000 1.071 278 L CA 1.384 56.177 54.840 -0.078 0.000 0.751 278 L CB -0.189 41.746 42.059 -0.206 0.000 0.889 278 L HN 0.118 nan 8.230 nan 0.000 0.432 279 L N -0.479 120.740 121.223 -0.007 0.000 1.990 279 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 279 L C 2.851 179.708 176.870 -0.023 0.000 1.072 279 L CA 1.831 56.666 54.840 -0.009 0.000 0.755 279 L CB -0.809 41.252 42.059 0.003 0.000 0.889 279 L HN 0.317 nan 8.230 nan 0.000 0.432 280 R N 0.087 120.588 120.500 0.001 0.000 2.096 280 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 280 R C 2.485 178.803 176.300 0.029 0.000 1.139 280 R CA 2.065 58.170 56.100 0.009 0.000 0.952 280 R CB -0.181 30.135 30.300 0.026 0.000 0.854 280 R HN 0.274 nan 8.270 nan 0.000 0.436 281 S N 0.580 116.335 115.700 0.092 0.000 2.368 281 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 281 S C 1.605 176.250 174.600 0.076 0.000 1.030 281 S CA 1.179 59.453 58.200 0.123 0.000 0.999 281 S CB -0.149 63.180 63.200 0.215 0.000 0.844 281 S HN 0.382 nan 8.310 nan 0.000 0.459 282 E N 1.285 121.523 120.200 0.064 0.000 2.077 282 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 282 E C 2.244 178.787 176.600 -0.095 0.000 0.989 282 E CA 0.834 57.238 56.400 0.006 0.000 0.800 282 E CB -0.212 29.495 29.700 0.012 0.000 0.746 282 E HN 0.454 nan 8.360 nan 0.000 0.452 283 R N 0.445 120.839 120.500 -0.177 0.000 2.092 283 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 283 R C 2.470 178.704 176.300 -0.110 0.000 1.119 283 R CA 0.441 56.358 56.100 -0.306 0.000 0.970 283 R CB -0.265 29.805 30.300 -0.383 0.000 0.864 283 R HN 0.120 nan 8.270 nan 0.000 0.440 284 L N 0.728 121.927 121.223 -0.041 0.000 2.261 284 L HA -0.167 4.173 4.340 -0.000 0.000 0.216 284 L C 1.595 178.480 176.870 0.025 0.000 1.114 284 L CA 1.778 56.626 54.840 0.012 0.000 0.777 284 L CB -0.125 41.958 42.059 0.039 0.000 0.910 284 L HN 0.222 nan 8.230 nan 0.000 0.440 285 R N -1.876 118.633 120.500 0.014 0.000 2.250 285 R HA 0.151 4.491 4.340 -0.000 0.000 0.194 285 R C 0.932 177.249 176.300 0.028 0.000 0.927 285 R CA -0.148 55.967 56.100 0.025 0.000 1.052 285 R CB 0.431 30.741 30.300 0.017 0.000 1.055 285 R HN 0.133 nan 8.270 nan 0.000 0.537 286 M N 1.320 120.933 119.600 0.022 0.000 2.435 286 M HA 0.182 4.662 4.480 -0.000 0.000 0.344 286 M C 0.534 176.896 176.300 0.103 0.000 1.329 286 M CA -0.093 55.241 55.300 0.056 0.000 1.320 286 M CB 1.191 33.824 32.600 0.054 0.000 1.309 286 M HN 0.222 nan 8.290 nan 0.000 0.451 287 G N 1.284 110.136 108.800 0.087 0.000 2.471 287 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 287 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 287 G C 1.229 176.199 174.900 0.117 0.000 1.125 287 G CA 1.229 46.389 45.100 0.099 0.000 0.775 287 G HN 0.758 nan 8.290 nan 0.000 0.548 288 T N -1.459 113.160 114.554 0.110 0.000 2.929 288 T HA -0.099 4.251 4.350 -0.000 0.000 0.271 288 T C 1.991 176.764 174.700 0.121 0.000 1.085 288 T CA 0.885 63.039 62.100 0.091 0.000 1.125 288 T CB -0.320 68.590 68.868 0.069 0.000 0.874 288 T HN 0.181 nan 8.240 nan 0.000 0.494 289 F N 2.627 122.590 119.950 0.021 0.000 2.051 289 F HA -0.045 4.482 4.527 -0.000 0.000 0.296 289 F C 2.099 177.916 175.800 0.028 0.000 1.122 289 F CA 1.829 59.843 58.000 0.024 0.000 1.201 289 F CB -0.558 38.456 39.000 0.024 0.000 0.978 289 F HN 0.102 nan 8.300 nan 0.000 0.472 290 D N 0.146 120.704 120.400 0.263 0.000 2.149 290 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 290 D C 1.772 178.104 176.300 0.052 0.000 0.990 290 D CA 1.703 55.784 54.000 0.134 0.000 0.839 290 D CB -0.297 40.587 40.800 0.139 0.000 0.948 290 D HN 0.297 nan 8.370 nan 0.000 0.460 291 D N -0.392 120.040 120.400 0.053 0.000 2.123 291 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 291 D C 1.765 178.077 176.300 0.020 0.000 0.992 291 D CA 0.600 54.619 54.000 0.032 0.000 0.833 291 D CB -0.596 40.220 40.800 0.028 0.000 0.954 291 D HN 0.399 nan 8.370 nan 0.000 0.455 292 N N 0.744 119.439 118.700 -0.009 0.000 2.069 292 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 292 N C 1.967 177.501 175.510 0.040 0.000 1.031 292 N CA 0.670 53.718 53.050 -0.003 0.000 0.852 292 N CB 0.144 38.577 38.487 -0.090 0.000 1.018 292 N HN 0.068 nan 8.380 nan 0.000 0.423 293 R N 1.042 121.511 120.500 -0.051 0.000 2.083 293 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 293 R C 2.189 178.505 176.300 0.027 0.000 1.137 293 R CA 1.520 57.606 56.100 -0.024 0.000 0.951 293 R CB -0.090 30.178 30.300 -0.053 0.000 0.851 293 R HN 0.282 nan 8.270 nan 0.000 0.434 294 R N -1.321 119.191 120.500 0.021 0.000 2.148 294 R HA -0.147 4.193 4.340 -0.000 0.000 0.227 294 R C 2.241 178.531 176.300 -0.017 0.000 1.103 294 R CA 1.528 57.634 56.100 0.008 0.000 0.983 294 R CB -0.477 29.832 30.300 0.014 0.000 0.874 294 R HN 0.461 nan 8.270 nan 0.000 0.451 295 H N 0.018 119.018 119.070 -0.117 0.000 2.457 295 H HA -0.034 4.522 4.556 0.000 0.000 0.294 295 H C 0.364 175.464 175.328 -0.381 0.000 1.064 295 H CA 1.137 57.037 56.048 -0.247 0.000 1.330 295 H CB 0.284 29.854 29.762 -0.319 0.000 1.395 295 H HN 0.177 nan 8.280 nan 0.000 0.541 296 H N 0.080 119.151 119.070 0.002 0.000 2.412 296 H HA 0.180 4.736 4.556 -0.000 0.000 0.239 296 H C 1.313 176.627 175.328 -0.023 0.000 1.388 296 H CA -0.155 55.879 56.048 -0.023 0.000 1.148 296 H CB 0.258 30.040 29.762 0.032 0.000 1.637 296 H HN 0.383 nan 8.280 nan 0.000 0.542 297 R N 1.266 121.771 120.500 0.009 0.000 2.075 297 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 297 R C 2.283 178.606 176.300 0.039 0.000 1.126 297 R CA 1.689 57.799 56.100 0.016 0.000 0.963 297 R CB 0.286 30.576 30.300 -0.016 0.000 0.858 297 R HN 0.525 nan 8.270 nan 0.000 0.435 298 E N 0.962 121.181 120.200 0.030 0.000 2.031 298 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 298 E C 1.871 178.514 176.600 0.072 0.000 0.994 298 E CA 1.321 57.743 56.400 0.038 0.000 0.800 298 E CB -0.799 28.912 29.700 0.019 0.000 0.752 298 E HN 0.178 nan 8.360 nan 0.000 0.447 299 L N 1.585 122.868 121.223 0.101 0.000 2.021 299 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 299 L C 2.942 179.950 176.870 0.231 0.000 1.074 299 L CA 2.970 57.894 54.840 0.140 0.000 0.760 299 L CB -1.207 40.934 42.059 0.136 0.000 0.889 299 L HN 0.703 nan 8.230 nan 0.000 0.433 300 T N -5.321 109.336 114.554 0.172 0.000 3.035 300 T HA -0.019 4.331 4.350 -0.000 0.000 0.259 300 T C 1.673 176.473 174.700 0.168 0.000 1.078 300 T CA 0.499 62.683 62.100 0.140 0.000 1.132 300 T CB -0.148 68.724 68.868 0.007 0.000 0.900 300 T HN 0.307 nan 8.240 nan 0.000 0.480 301 E N 1.590 121.865 120.200 0.125 0.000 2.371 301 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 301 E C 2.252 178.920 176.600 0.114 0.000 1.012 301 E CA 0.756 57.212 56.400 0.093 0.000 0.860 301 E CB 0.024 29.753 29.700 0.049 0.000 0.811 301 E HN 0.727 nan 8.360 nan 0.000 0.502 302 S N 0.171 115.952 115.700 0.135 0.000 2.474 302 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 302 S C 0.621 175.248 174.600 0.045 0.000 0.997 302 S CA 0.039 58.273 58.200 0.057 0.000 0.949 302 S CB -0.359 62.834 63.200 -0.011 0.000 0.766 302 S HN -0.005 nan 8.310 nan 0.000 0.517 303 F N 2.845 122.769 119.950 -0.043 0.000 2.563 303 F HA 0.318 4.845 4.527 -0.000 0.000 0.363 303 F C 1.352 177.110 175.800 -0.070 0.000 1.123 303 F CA -0.183 57.782 58.000 -0.058 0.000 1.307 303 F CB 0.428 39.390 39.000 -0.062 0.000 1.115 303 F HN -0.025 nan 8.300 nan 0.000 0.592 304 R N 2.431 122.940 120.500 0.016 0.000 2.368 304 R HA 0.428 4.768 4.340 -0.000 0.000 0.302 304 R C -0.349 175.912 176.300 -0.065 0.000 1.002 304 R CA -0.863 55.215 56.100 -0.037 0.000 0.929 304 R CB 1.330 31.576 30.300 -0.089 0.000 1.073 304 R HN 0.531 nan 8.270 nan 0.000 0.464 305 R N 3.611 124.070 120.500 -0.068 0.000 2.310 305 R HA 0.302 4.642 4.340 -0.000 0.000 0.324 305 R C -1.049 175.181 176.300 -0.117 0.000 0.955 305 R CA -0.696 55.344 56.100 -0.099 0.000 0.830 305 R CB 0.642 30.913 30.300 -0.049 0.000 1.154 305 R HN 0.418 nan 8.270 nan 0.000 0.458 306 I N 3.695 124.147 120.570 -0.197 0.000 2.336 306 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 306 I C -0.053 176.109 176.117 0.075 0.000 0.991 306 I CA -0.246 61.011 61.300 -0.070 0.000 1.227 306 I CB 1.543 39.493 38.000 -0.084 0.000 1.366 306 I HN 0.406 nan 8.210 nan 0.000 0.466 307 D N 6.423 126.877 120.400 0.091 0.000 2.193 307 D HA 0.578 5.218 4.640 -0.000 0.000 0.249 307 D C -0.749 175.686 176.300 0.225 0.000 1.034 307 D CA 0.109 54.148 54.000 0.064 0.000 0.902 307 D CB 1.825 42.617 40.800 -0.013 0.000 1.182 307 D HN 0.304 nan 8.370 nan 0.000 0.436 308 F N -1.356 118.595 119.950 0.003 0.000 2.641 308 F HA 0.658 5.185 4.527 -0.000 0.000 0.308 308 F C -1.186 174.616 175.800 0.004 0.000 1.105 308 F CA -1.467 56.542 58.000 0.015 0.000 0.964 308 F CB 1.073 40.020 39.000 -0.088 0.000 1.294 308 F HN 0.242 nan 8.300 nan 0.000 0.442 309 A N 3.980 126.899 122.820 0.164 0.000 2.269 309 A HA 0.419 4.739 4.320 -0.000 0.000 0.302 309 A C 0.714 178.441 177.584 0.238 0.000 1.266 309 A CA -0.625 51.458 52.037 0.078 0.000 0.894 309 A CB 0.605 19.663 19.000 0.096 0.000 1.147 309 A HN 1.116 nan 8.150 nan 0.000 0.537 310 L N 1.855 123.151 121.223 0.121 0.000 2.109 310 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 310 L C 0.453 177.423 176.870 0.166 0.000 1.086 310 L CA 1.793 56.784 54.840 0.251 0.000 0.760 310 L CB -0.424 41.767 42.059 0.219 0.000 0.910 310 L HN 0.966 nan 8.230 nan 0.000 0.437 311 D N 0.691 121.127 120.400 0.061 0.000 2.802 311 D HA -0.122 4.518 4.640 -0.000 0.000 0.229 311 D C -1.985 174.269 176.300 -0.077 0.000 1.203 311 D CA 0.145 54.147 54.000 0.002 0.000 0.712 311 D CB -0.174 40.651 40.800 0.041 0.000 0.973 311 D HN 0.298 nan 8.370 nan 0.000 0.407 312 P HA 0.346 nan 4.420 nan 0.000 0.276 312 P C -2.493 174.603 177.300 -0.341 0.000 1.252 312 P CA -1.124 61.688 63.100 -0.481 0.000 0.802 312 P CB 0.130 31.125 31.700 -1.175 0.000 1.035 313 P HA 0.116 nan 4.420 nan 0.000 0.271 313 P C 0.106 177.392 177.300 -0.023 0.000 1.218 313 P CA -0.140 62.903 63.100 -0.095 0.000 0.780 313 P CB 0.563 32.243 31.700 -0.034 0.000 0.901 314 A N 2.653 125.477 122.820 0.007 0.000 2.147 314 A HA 0.292 4.612 4.320 -0.000 0.000 0.211 314 A C 1.313 178.939 177.584 0.070 0.000 1.160 314 A CA 0.970 53.026 52.037 0.031 0.000 0.781 314 A CB -0.723 18.285 19.000 0.014 0.000 0.842 314 A HN 0.644 nan 8.150 nan 0.000 0.475 315 G N -0.677 108.171 108.800 0.080 0.000 2.525 315 G HA2 0.366 4.326 3.960 -0.000 0.000 0.287 315 G HA3 0.366 4.326 3.960 -0.000 0.000 0.287 315 G C -0.875 174.110 174.900 0.141 0.000 1.350 315 G CA -0.146 45.015 45.100 0.101 0.000 1.039 315 G HN 0.117 nan 8.290 nan 0.000 0.513 316 D N -0.184 120.307 120.400 0.151 0.000 2.339 316 D HA 0.142 4.782 4.640 -0.000 0.000 0.256 316 D C 1.005 177.386 176.300 0.136 0.000 1.214 316 D CA -0.273 53.837 54.000 0.183 0.000 0.877 316 D CB 0.359 41.255 40.800 0.160 0.000 1.111 316 D HN 0.333 nan 8.370 nan 0.000 0.478 317 I N 1.124 121.779 120.570 0.142 0.000 3.817 317 I HA 0.504 4.674 4.170 -0.000 0.000 0.325 317 I C 0.789 176.949 176.117 0.071 0.000 1.550 317 I CA -0.485 60.872 61.300 0.094 0.000 1.100 317 I CB 0.295 38.351 38.000 0.093 0.000 1.216 317 I HN 0.452 nan 8.210 nan 0.000 0.481 318 G N 2.064 110.939 108.800 0.123 0.000 2.750 318 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.228 318 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.228 318 G C -1.100 173.782 174.900 -0.030 0.000 1.367 318 G CA -0.180 44.984 45.100 0.106 0.000 0.871 318 G HN 0.375 nan 8.290 nan 0.000 0.560 319 L N -0.155 120.945 121.223 -0.205 0.000 2.457 319 L HA 0.397 4.737 4.340 -0.000 0.000 0.266 319 L C -0.104 176.552 176.870 -0.357 0.000 0.979 319 L CA -0.909 53.654 54.840 -0.462 0.000 0.857 319 L CB 1.277 42.749 42.059 -0.979 0.000 1.213 319 L HN 0.528 nan 8.230 nan 0.000 0.418 320 L N 4.974 126.021 121.223 -0.293 0.000 2.650 320 L HA 0.280 4.620 4.340 -0.000 0.000 0.239 320 L C 0.354 177.087 176.870 -0.230 0.000 1.412 320 L CA 0.716 55.427 54.840 -0.215 0.000 1.219 320 L CB -1.109 40.853 42.059 -0.161 0.000 1.534 320 L HN 0.502 nan 8.230 nan 0.000 0.430 321 R N 0.111 120.450 120.500 -0.269 0.000 2.668 321 R HA 0.272 4.612 4.340 -0.000 0.000 0.272 321 R C -0.626 175.553 176.300 -0.202 0.000 1.019 321 R CA -0.621 55.341 56.100 -0.230 0.000 0.894 321 R CB 1.690 31.819 30.300 -0.285 0.000 1.228 321 R HN 0.213 nan 8.270 nan 0.000 0.460 322 E N 3.767 123.878 120.200 -0.149 0.000 2.044 322 E HA 0.203 4.553 4.350 -0.000 0.000 0.282 322 E C -1.201 175.330 176.600 -0.116 0.000 1.031 322 E CA -0.424 55.892 56.400 -0.139 0.000 0.824 322 E CB 1.087 30.714 29.700 -0.121 0.000 1.076 322 E HN 0.274 nan 8.360 nan 0.000 0.395 323 V N 5.509 125.347 119.914 -0.126 0.000 2.333 323 V HA 0.176 4.296 4.120 -0.000 0.000 0.274 323 V C 0.315 176.336 176.094 -0.122 0.000 1.028 323 V CA -0.668 61.594 62.300 -0.063 0.000 0.851 323 V CB 1.124 32.951 31.823 0.008 0.000 1.000 323 V HN 0.654 nan 8.190 nan 0.000 0.456 324 E N 3.708 123.838 120.200 -0.116 0.000 2.383 324 E HA 0.213 4.563 4.350 -0.000 0.000 0.264 324 E C 0.680 177.158 176.600 -0.204 0.000 1.050 324 E CA -0.361 55.920 56.400 -0.199 0.000 0.896 324 E CB 1.370 30.977 29.700 -0.155 0.000 0.982 324 E HN 0.478 nan 8.360 nan 0.000 0.424 325 R N 1.207 121.368 120.500 -0.565 0.000 2.115 325 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 325 R C 0.195 176.210 176.300 -0.474 0.000 1.111 325 R CA 1.030 56.534 56.100 -0.993 0.000 0.976 325 R CB 0.032 29.071 30.300 -2.100 0.000 0.870 325 R HN 0.353 nan 8.270 nan 0.000 0.445 326 F N 0.038 119.971 119.950 -0.028 0.000 2.443 326 F HA 0.318 4.845 4.527 -0.000 0.000 0.369 326 F C -1.830 173.902 175.800 -0.113 0.000 1.090 326 F CA -2.661 55.390 58.000 0.086 0.000 1.129 326 F CB 1.900 40.962 39.000 0.103 0.000 1.367 326 F HN -0.227 nan 8.300 nan 0.000 0.465 327 P HA -0.084 nan 4.420 nan 0.000 0.225 327 P C 0.967 177.783 177.300 -0.807 0.000 1.148 327 P CA 1.350 63.961 63.100 -0.815 0.000 0.779 327 P CB -0.004 30.796 31.700 -1.500 0.000 0.780 328 F N -2.035 117.814 119.950 -0.168 0.000 2.721 328 F HA 0.113 4.640 4.527 -0.000 0.000 0.301 328 F C 0.630 176.423 175.800 -0.011 0.000 1.096 328 F CA 0.140 58.098 58.000 -0.070 0.000 1.308 328 F CB 0.531 39.544 39.000 0.022 0.000 1.086 328 F HN -0.389 nan 8.300 nan 0.000 0.587 329 V N 2.885 122.895 119.914 0.161 0.000 2.327 329 V HA 0.265 4.385 4.120 -0.000 0.000 0.272 329 V C -2.379 173.718 176.094 0.006 0.000 1.019 329 V CA -1.969 60.354 62.300 0.037 0.000 0.814 329 V CB 0.695 32.467 31.823 -0.086 0.000 1.040 329 V HN -0.151 nan 8.190 nan 0.000 0.440 330 P HA 0.129 nan 4.420 nan 0.000 0.267 330 P C 0.749 178.038 177.300 -0.019 0.000 1.205 330 P CA 0.145 63.237 63.100 -0.014 0.000 0.765 330 P CB 1.631 33.333 31.700 0.004 0.000 0.828 331 A N 3.160 125.970 122.820 -0.016 0.000 1.930 331 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 331 A C 0.997 178.591 177.584 0.018 0.000 1.175 331 A CA 1.052 53.089 52.037 -0.001 0.000 0.627 331 A CB -1.156 17.824 19.000 -0.033 0.000 0.815 331 A HN 0.599 nan 8.150 nan 0.000 0.443 332 D N 0.094 120.499 120.400 0.008 0.000 2.412 332 D HA 0.124 4.764 4.640 -0.000 0.000 0.257 332 D C -1.196 175.126 176.300 0.036 0.000 1.217 332 D CA -1.327 52.686 54.000 0.021 0.000 0.897 332 D CB 0.917 41.725 40.800 0.014 0.000 1.132 332 D HN 0.116 nan 8.370 nan 0.000 0.493 333 P HA -0.193 nan 4.420 nan 0.000 0.220 333 P C 0.882 178.226 177.300 0.073 0.000 1.148 333 P CA 1.052 64.191 63.100 0.065 0.000 0.803 333 P CB 0.128 31.868 31.700 0.067 0.000 0.782 334 Q N -0.378 119.459 119.800 0.061 0.000 2.269 334 Q HA -0.054 4.286 4.340 -0.000 0.000 0.201 334 Q C 2.155 178.198 176.000 0.072 0.000 0.946 334 Q CA 0.731 56.575 55.803 0.067 0.000 0.877 334 Q CB -0.706 28.062 28.738 0.051 0.000 0.963 334 Q HN 0.084 nan 8.270 nan 0.000 0.472 335 R N 1.503 122.037 120.500 0.058 0.000 2.075 335 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 335 R C 2.130 178.468 176.300 0.064 0.000 1.126 335 R CA 1.021 57.154 56.100 0.055 0.000 0.963 335 R CB -0.902 29.420 30.300 0.036 0.000 0.858 335 R HN 0.326 nan 8.270 nan 0.000 0.435 336 L N 0.760 122.018 121.223 0.059 0.000 2.056 336 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 336 L C 2.245 179.175 176.870 0.100 0.000 1.078 336 L CA 1.889 56.761 54.840 0.053 0.000 0.749 336 L CB -0.872 41.201 42.059 0.024 0.000 0.901 336 L HN 0.313 nan 8.230 nan 0.000 0.433 337 Q N -0.425 119.468 119.800 0.155 0.000 2.152 337 Q HA -0.292 4.048 4.340 -0.000 0.000 0.206 337 Q C 2.189 178.324 176.000 0.224 0.000 0.985 337 Q CA 2.180 58.144 55.803 0.268 0.000 0.863 337 Q CB -0.113 28.775 28.738 0.251 0.000 0.904 337 Q HN 0.669 nan 8.270 nan 0.000 0.422 338 Q N 0.552 120.443 119.800 0.152 0.000 2.062 338 Q HA -0.090 4.250 4.340 -0.000 0.000 0.196 338 Q C 1.396 177.475 176.000 0.132 0.000 0.967 338 Q CA 1.945 57.843 55.803 0.159 0.000 0.832 338 Q CB -0.270 28.539 28.738 0.118 0.000 0.899 338 Q HN 0.321 nan 8.270 nan 0.000 0.442 339 D N -0.836 119.610 120.400 0.076 0.000 2.158 339 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 339 D C 1.808 178.071 176.300 -0.061 0.000 0.995 339 D CA 1.466 55.491 54.000 0.042 0.000 0.846 339 D CB -0.415 40.417 40.800 0.055 0.000 0.941 339 D HN 0.325 nan 8.370 nan 0.000 0.456 340 C N -0.221 118.980 119.300 -0.165 0.000 2.500 340 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 340 C C 2.441 176.933 174.990 -0.830 0.000 1.288 340 C CA -0.073 58.673 59.018 -0.454 0.000 1.710 340 C CB -1.148 26.278 27.740 -0.524 0.000 2.052 340 C HN 0.398 nan 8.230 nan 0.000 0.488 341 Y N 2.374 122.116 120.300 -0.929 0.000 2.139 341 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 341 Y C 2.211 177.956 175.900 -0.258 0.000 1.179 341 Y CA 2.273 60.003 58.100 -0.617 0.000 1.161 341 Y CB -0.539 37.904 38.460 -0.028 0.000 0.970 341 Y HN 0.457 nan 8.280 nan 0.000 0.511 342 E N -0.114 119.893 120.200 -0.321 0.000 2.051 342 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 342 E C 2.480 178.958 176.600 -0.204 0.000 0.979 342 E CA 0.718 56.942 56.400 -0.293 0.000 0.803 342 E CB -0.411 29.263 29.700 -0.045 0.000 0.761 342 E HN 0.530 nan 8.360 nan 0.000 0.451 343 A N 1.248 123.989 122.820 -0.132 0.000 1.869 343 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 343 A C 2.113 179.678 177.584 -0.032 0.000 1.203 343 A CA 1.977 53.978 52.037 -0.060 0.000 0.638 343 A CB -1.172 17.805 19.000 -0.039 0.000 0.831 343 A HN 0.430 nan 8.150 nan 0.000 0.450 344 Y N 1.282 121.451 120.300 -0.218 0.000 2.081 344 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 344 Y C 2.378 178.227 175.900 -0.086 0.000 1.163 344 Y CA 2.327 60.354 58.100 -0.121 0.000 1.135 344 Y CB -0.348 37.960 38.460 -0.254 0.000 0.970 344 Y HN 0.375 nan 8.280 nan 0.000 0.498 345 N N 0.179 118.763 118.700 -0.193 0.000 2.309 345 N HA -0.150 4.590 4.740 -0.000 0.000 0.182 345 N C 1.938 177.352 175.510 -0.160 0.000 1.018 345 N CA 1.556 54.475 53.050 -0.218 0.000 0.876 345 N CB -0.177 38.114 38.487 -0.326 0.000 0.972 345 N HN 0.441 nan 8.380 nan 0.000 0.434 346 I N 1.676 122.168 120.570 -0.130 0.000 2.179 346 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 346 I C 2.405 178.498 176.117 -0.040 0.000 1.088 346 I CA 1.206 62.468 61.300 -0.064 0.000 1.357 346 I CB -0.162 37.815 38.000 -0.037 0.000 1.051 346 I HN 0.128 nan 8.210 nan 0.000 0.409 347 Q N -0.052 119.716 119.800 -0.053 0.000 2.046 347 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 347 Q C 2.432 178.405 176.000 -0.045 0.000 0.975 347 Q CA 1.539 57.329 55.803 -0.022 0.000 0.836 347 Q CB -0.214 28.516 28.738 -0.014 0.000 0.896 347 Q HN 0.357 nan 8.270 nan 0.000 0.428 348 V N 1.342 121.159 119.914 -0.161 0.000 2.255 348 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 348 V C 2.495 178.537 176.094 -0.085 0.000 1.051 348 V CA 2.198 64.405 62.300 -0.155 0.000 1.018 348 V CB -0.822 30.857 31.823 -0.239 0.000 0.641 348 V HN 0.494 nan 8.190 nan 0.000 0.445 349 S N 0.568 116.225 115.700 -0.072 0.000 2.383 349 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 349 S C 2.141 176.724 174.600 -0.028 0.000 1.026 349 S CA 1.203 59.375 58.200 -0.048 0.000 0.981 349 S CB -0.990 62.188 63.200 -0.037 0.000 0.818 349 S HN 0.547 nan 8.310 nan 0.000 0.472 350 G N 2.228 111.038 108.800 0.017 0.000 2.476 350 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 350 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 350 G C 1.398 176.276 174.900 -0.037 0.000 1.164 350 G CA 1.008 46.160 45.100 0.087 0.000 0.768 350 G HN 0.454 nan 8.290 nan 0.000 0.560 351 L N 0.089 121.303 121.223 -0.015 0.000 2.093 351 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 351 L C 2.808 179.555 176.870 -0.205 0.000 1.085 351 L CA 1.577 56.298 54.840 -0.198 0.000 0.755 351 L CB -0.416 41.643 42.059 0.000 0.000 0.904 351 L HN 0.366 nan 8.230 nan 0.000 0.435 352 E N -0.472 119.662 120.200 -0.110 0.000 2.085 352 E HA -0.336 4.014 4.350 -0.000 0.000 0.194 352 E C 2.014 178.554 176.600 -0.099 0.000 0.994 352 E CA 1.661 58.017 56.400 -0.073 0.000 0.801 352 E CB -0.024 29.645 29.700 -0.051 0.000 0.743 352 E HN 0.414 nan 8.360 nan 0.000 0.453 353 Q N 1.084 120.807 119.800 -0.128 0.000 2.079 353 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 353 Q C 2.001 177.881 176.000 -0.201 0.000 0.974 353 Q CA 1.521 57.243 55.803 -0.134 0.000 0.840 353 Q CB -0.141 28.541 28.738 -0.094 0.000 0.898 353 Q HN -0.055 nan 8.270 nan 0.000 0.430 354 R N 0.072 120.378 120.500 -0.324 0.000 2.096 354 R HA -0.099 4.241 4.340 -0.000 0.000 0.240 354 R C 2.143 178.285 176.300 -0.263 0.000 1.139 354 R CA 1.933 57.802 56.100 -0.385 0.000 0.952 354 R CB -0.895 28.938 30.300 -0.779 0.000 0.854 354 R HN 0.477 nan 8.270 nan 0.000 0.436 355 L N -0.378 120.717 121.223 -0.214 0.000 2.056 355 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 355 L C 2.608 179.311 176.870 -0.277 0.000 1.078 355 L CA 1.485 56.247 54.840 -0.130 0.000 0.749 355 L CB -0.438 41.636 42.059 0.026 0.000 0.901 355 L HN 0.158 nan 8.230 nan 0.000 0.433 356 R N 0.262 120.577 120.500 -0.307 0.000 2.083 356 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 356 R C 2.415 178.464 176.300 -0.418 0.000 1.137 356 R CA 1.526 57.313 56.100 -0.521 0.000 0.951 356 R CB -0.646 29.500 30.300 -0.258 0.000 0.851 356 R HN 0.365 nan 8.270 nan 0.000 0.434 357 A N 0.871 123.535 122.820 -0.260 0.000 2.024 357 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 357 A C 1.785 179.258 177.584 -0.184 0.000 1.164 357 A CA 1.157 53.079 52.037 -0.191 0.000 0.643 357 A CB -0.229 18.685 19.000 -0.143 0.000 0.806 357 A HN 0.214 nan 8.150 nan 0.000 0.451 358 L N -0.950 120.147 121.223 -0.208 0.000 2.872 358 L HA 0.149 4.489 4.340 -0.000 0.000 0.245 358 L C 0.165 176.929 176.870 -0.176 0.000 1.211 358 L CA -0.025 54.716 54.840 -0.164 0.000 1.013 358 L CB -0.137 41.837 42.059 -0.140 0.000 1.326 358 L HN 0.309 nan 8.230 nan 0.000 0.525 359 D N 0.782 121.020 120.400 -0.270 0.000 2.701 359 D HA -0.301 4.339 4.640 -0.000 0.000 0.235 359 D C -0.738 175.479 176.300 -0.138 0.000 1.155 359 D CA 0.668 54.498 54.000 -0.282 0.000 0.649 359 D CB -0.911 39.814 40.800 -0.126 0.000 1.050 359 D HN 0.322 nan 8.370 nan 0.000 0.425 360 Y N -4.287 115.976 120.300 -0.062 0.000 2.978 360 Y HA -0.215 4.335 4.550 -0.000 0.000 0.142 360 Y C -1.529 174.335 175.900 -0.059 0.000 1.837 360 Y CA 0.036 58.100 58.100 -0.060 0.000 0.947 360 Y CB -2.161 36.270 38.460 -0.048 0.000 1.519 360 Y HN 0.185 nan 8.280 nan 0.000 0.359 361 P HA 0.119 nan 4.420 nan 0.000 0.274 361 P C 0.188 177.495 177.300 0.012 0.000 1.260 361 P CA -0.328 62.769 63.100 -0.005 0.000 0.793 361 P CB 0.990 32.650 31.700 -0.067 0.000 1.048 362 K N -0.181 120.216 120.400 -0.005 0.000 2.219 362 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 362 K C -0.362 176.235 176.600 -0.004 0.000 1.008 362 K CA -0.479 55.810 56.287 0.003 0.000 0.928 362 K CB 0.328 32.833 32.500 0.009 0.000 0.983 362 K HN 0.199 nan 8.250 nan 0.000 0.484 363 V N 2.569 122.491 119.914 0.014 0.000 2.326 363 V HA 0.130 4.250 4.120 -0.000 0.000 0.281 363 V C -0.261 175.863 176.094 0.051 0.000 1.015 363 V CA -0.850 61.463 62.300 0.020 0.000 0.823 363 V CB 1.510 33.346 31.823 0.022 0.000 1.009 363 V HN 0.380 nan 8.190 nan 0.000 0.436 364 V N 6.917 126.863 119.914 0.054 0.000 2.407 364 V HA 0.538 4.658 4.120 -0.000 0.000 0.278 364 V C -0.162 175.996 176.094 0.106 0.000 1.037 364 V CA -0.352 62.019 62.300 0.117 0.000 0.900 364 V CB 1.610 33.472 31.823 0.066 0.000 0.983 364 V HN 0.756 nan 8.190 nan 0.000 0.459 365 I N 3.465 124.135 120.570 0.166 0.000 2.571 365 I HA 0.701 4.871 4.170 -0.000 0.000 0.289 365 I C 0.449 176.662 176.117 0.160 0.000 1.115 365 I CA -0.415 60.959 61.300 0.123 0.000 1.045 365 I CB 1.703 39.751 38.000 0.080 0.000 1.238 365 I HN 0.697 nan 8.210 nan 0.000 0.424 366 G N 7.225 116.096 108.800 0.120 0.000 2.360 366 G HA2 0.477 4.437 3.960 -0.000 0.000 0.279 366 G HA3 0.477 4.437 3.960 -0.000 0.000 0.279 366 G C -0.474 174.481 174.900 0.092 0.000 1.189 366 G CA -0.304 44.863 45.100 0.111 0.000 0.941 366 G HN 0.639 nan 8.290 nan 0.000 0.445 367 V N 1.536 121.517 119.914 0.110 0.000 2.357 367 V HA 0.576 4.696 4.120 -0.000 0.000 0.284 367 V C 0.688 176.841 176.094 0.098 0.000 1.018 367 V CA -0.129 62.234 62.300 0.105 0.000 0.841 367 V CB 1.106 33.012 31.823 0.138 0.000 0.991 367 V HN 0.722 nan 8.190 nan 0.000 0.437 368 S N 2.139 117.877 115.700 0.064 0.000 2.524 368 S HA 0.425 4.895 4.470 -0.000 0.000 0.215 368 S C 1.607 176.231 174.600 0.039 0.000 0.986 368 S CA 0.538 58.767 58.200 0.049 0.000 0.911 368 S CB 0.518 63.739 63.200 0.034 0.000 0.805 368 S HN 2.333 nan 8.310 nan 0.000 0.501 369 G N 0.876 109.696 108.800 0.033 0.000 2.179 369 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.260 369 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.260 369 G C 0.521 175.427 174.900 0.010 0.000 0.977 369 G CA -0.073 45.034 45.100 0.013 0.000 0.641 369 G HN 1.055 nan 8.290 nan 0.000 0.533 370 G N -0.658 108.153 108.800 0.019 0.000 2.651 370 G HA2 0.526 4.486 3.960 -0.000 0.000 0.260 370 G HA3 0.526 4.486 3.960 -0.000 0.000 0.260 370 G C 1.326 176.233 174.900 0.011 0.000 1.216 370 G CA -0.102 45.007 45.100 0.015 0.000 0.913 370 G HN 0.524 nan 8.290 nan 0.000 0.535 371 L N -0.388 120.835 121.223 0.000 0.000 2.017 371 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 371 L C 2.446 179.334 176.870 0.029 0.000 1.073 371 L CA 1.275 56.113 54.840 -0.003 0.000 0.745 371 L CB -0.343 41.693 42.059 -0.038 0.000 0.894 371 L HN 0.373 nan 8.230 nan 0.000 0.432 372 D N -0.231 120.181 120.400 0.020 0.000 2.097 372 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 372 D C 2.463 178.806 176.300 0.072 0.000 0.989 372 D CA 1.802 55.828 54.000 0.043 0.000 0.827 372 D CB -0.160 40.647 40.800 0.011 0.000 0.966 372 D HN 0.340 nan 8.370 nan 0.000 0.456 373 S N -0.761 114.969 115.700 0.049 0.000 2.406 373 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 373 S C 2.042 176.668 174.600 0.043 0.000 1.020 373 S CA 1.166 59.394 58.200 0.046 0.000 0.965 373 S CB -0.622 62.604 63.200 0.044 0.000 0.798 373 S HN 0.084 nan 8.310 nan 0.000 0.488 374 T N 1.739 116.319 114.554 0.044 0.000 2.607 374 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 374 T C 1.704 176.435 174.700 0.051 0.000 1.049 374 T CA 1.791 63.910 62.100 0.032 0.000 1.162 374 T CB -0.797 68.087 68.868 0.028 0.000 0.863 374 T HN 0.638 nan 8.240 nan 0.000 0.424 375 H N 0.771 119.843 119.070 0.004 0.000 2.353 375 H HA -0.026 4.530 4.556 -0.000 0.000 0.300 375 H C 2.415 177.776 175.328 0.055 0.000 1.090 375 H CA 1.461 57.530 56.048 0.035 0.000 1.327 375 H CB -0.181 29.607 29.762 0.043 0.000 1.383 375 H HN 0.363 nan 8.280 nan 0.000 0.508 376 A N 1.481 124.281 122.820 -0.034 0.000 1.972 376 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 376 A C 2.662 180.207 177.584 -0.064 0.000 1.169 376 A CA 0.994 52.992 52.037 -0.065 0.000 0.635 376 A CB -0.785 18.223 19.000 0.013 0.000 0.810 376 A HN 0.493 nan 8.150 nan 0.000 0.446 377 L N -0.465 120.731 121.223 -0.046 0.000 2.056 377 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 377 L C 2.292 179.114 176.870 -0.080 0.000 1.078 377 L CA 1.177 55.992 54.840 -0.041 0.000 0.749 377 L CB -0.293 41.746 42.059 -0.033 0.000 0.901 377 L HN 0.307 nan 8.230 nan 0.000 0.433 378 I N -0.632 119.856 120.570 -0.136 0.000 2.179 378 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 378 I C 2.627 178.757 176.117 0.022 0.000 1.088 378 I CA 1.158 62.346 61.300 -0.187 0.000 1.357 378 I CB -1.027 36.872 38.000 -0.169 0.000 1.051 378 I HN 0.087 nan 8.210 nan 0.000 0.409 379 V N 1.321 121.197 119.914 -0.063 0.000 2.392 379 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 379 V C 2.747 178.849 176.094 0.015 0.000 1.059 379 V CA 1.851 64.112 62.300 -0.064 0.000 1.051 379 V CB -1.022 30.679 31.823 -0.203 0.000 0.658 379 V HN 0.468 nan 8.190 nan 0.000 0.455 380 A N -0.535 122.292 122.820 0.012 0.000 1.929 380 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 380 A C 2.378 180.004 177.584 0.069 0.000 1.176 380 A CA 2.041 54.096 52.037 0.031 0.000 0.628 380 A CB -0.775 18.238 19.000 0.022 0.000 0.816 380 A HN 0.501 nan 8.150 nan 0.000 0.444 381 T N -1.048 113.568 114.554 0.103 0.000 2.708 381 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 381 T C 1.942 176.823 174.700 0.302 0.000 1.037 381 T CA 1.906 64.115 62.100 0.182 0.000 1.146 381 T CB -0.449 68.522 68.868 0.172 0.000 0.865 381 T HN 0.686 nan 8.240 nan 0.000 0.435 382 H N 1.544 120.783 119.070 0.282 0.000 2.353 382 H HA 0.155 4.711 4.556 -0.000 0.000 0.300 382 H C 2.285 177.658 175.328 0.076 0.000 1.090 382 H CA 1.347 57.534 56.048 0.232 0.000 1.327 382 H CB -0.742 29.197 29.762 0.295 0.000 1.383 382 H HN 0.312 nan 8.280 nan 0.000 0.508 383 A N 0.671 123.497 122.820 0.010 0.000 1.917 383 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 383 A C 2.385 179.930 177.584 -0.065 0.000 1.182 383 A CA 2.183 54.177 52.037 -0.072 0.000 0.633 383 A CB -0.536 18.445 19.000 -0.033 0.000 0.819 383 A HN 0.404 nan 8.150 nan 0.000 0.448 384 M N -0.496 119.094 119.600 -0.017 0.000 2.123 384 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 384 M C 1.636 177.899 176.300 -0.062 0.000 1.069 384 M CA 1.402 56.681 55.300 -0.035 0.000 1.133 384 M CB -1.566 31.031 32.600 -0.005 0.000 1.356 384 M HN 0.351 nan 8.290 nan 0.000 0.415 385 D N 0.490 120.877 120.400 -0.023 0.000 2.137 385 D HA -0.185 4.455 4.640 -0.000 0.000 0.189 385 D C 2.107 178.349 176.300 -0.096 0.000 0.998 385 D CA 1.398 55.378 54.000 -0.033 0.000 0.839 385 D CB -0.439 40.381 40.800 0.034 0.000 0.962 385 D HN 0.326 nan 8.370 nan 0.000 0.446 386 R N 0.286 120.680 120.500 -0.176 0.000 2.139 386 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 386 R C 1.595 177.830 176.300 -0.108 0.000 1.145 386 R CA 0.867 56.862 56.100 -0.175 0.000 0.976 386 R CB -0.021 30.118 30.300 -0.269 0.000 0.866 386 R HN 0.226 nan 8.270 nan 0.000 0.449 387 E N -0.762 119.373 120.200 -0.109 0.000 2.479 387 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 387 E C 0.830 177.299 176.600 -0.219 0.000 1.049 387 E CA 0.474 56.806 56.400 -0.115 0.000 0.870 387 E CB 0.777 30.436 29.700 -0.069 0.000 0.944 387 E HN 0.486 nan 8.360 nan 0.000 0.492 388 G N 2.452 111.152 108.800 -0.166 0.000 2.198 388 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 388 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 388 G C 0.093 174.867 174.900 -0.210 0.000 1.042 388 G CA 0.049 45.053 45.100 -0.160 0.000 0.791 388 G HN 0.020 nan 8.290 nan 0.000 0.502 389 R N 0.254 120.623 120.500 -0.219 0.000 2.428 389 R HA 0.440 4.780 4.340 -0.000 0.000 0.294 389 R C -2.265 173.973 176.300 -0.103 0.000 1.000 389 R CA -1.952 54.024 56.100 -0.207 0.000 0.960 389 R CB 1.093 31.254 30.300 -0.233 0.000 1.076 389 R HN 0.179 nan 8.270 nan 0.000 0.475 390 P HA 0.106 nan 4.420 nan 0.000 0.268 390 P C 0.157 177.444 177.300 -0.022 0.000 1.204 390 P CA -0.056 63.020 63.100 -0.041 0.000 0.768 390 P CB 0.737 32.415 31.700 -0.036 0.000 0.842 391 R N 1.548 122.048 120.500 -0.001 0.000 2.193 391 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 391 R C 1.977 178.281 176.300 0.006 0.000 1.110 391 R CA 1.651 57.761 56.100 0.015 0.000 0.988 391 R CB -0.324 29.998 30.300 0.036 0.000 0.871 391 R HN 0.608 nan 8.270 nan 0.000 0.458 392 S N -0.188 115.510 115.700 -0.003 0.000 2.607 392 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 392 S C 0.846 175.439 174.600 -0.011 0.000 0.969 392 S CA 0.673 58.868 58.200 -0.008 0.000 0.927 392 S CB 0.231 63.426 63.200 -0.009 0.000 0.772 392 S HN 0.126 nan 8.310 nan 0.000 0.533 393 D N 1.142 121.537 120.400 -0.009 0.000 2.349 393 D HA 0.295 4.935 4.640 -0.000 0.000 0.215 393 D C -0.012 176.290 176.300 0.004 0.000 1.016 393 D CA 0.037 54.034 54.000 -0.004 0.000 0.870 393 D CB -0.038 40.755 40.800 -0.011 0.000 0.917 393 D HN 0.456 nan 8.370 nan 0.000 0.524 394 I N 1.710 122.281 120.570 0.003 0.000 2.379 394 I HA 0.069 4.239 4.170 -0.000 0.000 0.290 394 I C -0.089 176.021 176.117 -0.013 0.000 1.063 394 I CA -0.093 61.212 61.300 0.008 0.000 1.351 394 I CB 0.738 38.746 38.000 0.013 0.000 1.410 394 I HN -0.270 nan 8.210 nan 0.000 0.505 395 L N 7.585 128.810 121.223 0.003 0.000 2.272 395 L HA 0.589 4.929 4.340 -0.000 0.000 0.284 395 L C 0.327 177.134 176.870 -0.106 0.000 1.045 395 L CA -0.442 54.358 54.840 -0.067 0.000 0.842 395 L CB 0.781 42.897 42.059 0.095 0.000 1.224 395 L HN 0.622 nan 8.230 nan 0.000 0.430 396 A N 3.613 126.270 122.820 -0.271 0.000 2.306 396 A HA 0.821 5.141 4.320 -0.000 0.000 0.314 396 A C -0.977 176.227 177.584 -0.632 0.000 1.164 396 A CA -0.200 51.727 52.037 -0.184 0.000 0.822 396 A CB 0.470 19.486 19.000 0.026 0.000 1.130 396 A HN 0.519 nan 8.150 nan 0.000 0.496 397 F N 1.158 121.005 119.950 -0.171 0.000 2.539 397 F HA 0.550 5.077 4.527 -0.000 0.000 0.328 397 F C 0.620 176.311 175.800 -0.181 0.000 1.148 397 F CA -0.328 57.497 58.000 -0.292 0.000 0.940 397 F CB 2.006 40.893 39.000 -0.189 0.000 1.194 397 F HN 0.713 nan 8.300 nan 0.000 0.438 398 A N 4.672 127.421 122.820 -0.118 0.000 2.366 398 A HA 0.721 5.041 4.320 -0.000 0.000 0.272 398 A C -0.569 177.019 177.584 0.007 0.000 1.135 398 A CA -0.297 51.781 52.037 0.069 0.000 0.804 398 A CB 0.191 19.346 19.000 0.257 0.000 1.064 398 A HN 0.844 nan 8.150 nan 0.000 0.499 399 L N 4.419 125.640 121.223 -0.004 0.000 2.556 399 L HA 0.285 4.625 4.340 -0.000 0.000 0.243 399 L C -2.503 174.310 176.870 -0.095 0.000 1.331 399 L CA -1.578 53.216 54.840 -0.076 0.000 0.927 399 L CB 1.236 43.241 42.059 -0.090 0.000 1.219 399 L HN 0.425 nan 8.230 nan 0.000 0.490 400 P HA 0.154 nan 4.420 nan 0.000 0.268 400 P C 0.277 177.473 177.300 -0.173 0.000 1.204 400 P CA 0.128 63.175 63.100 -0.087 0.000 0.768 400 P CB 1.350 33.021 31.700 -0.048 0.000 0.842 401 G N 1.516 110.194 108.800 -0.203 0.000 3.099 401 G HA2 0.585 4.545 3.960 -0.000 0.000 0.151 401 G HA3 0.585 4.545 3.960 -0.000 0.000 0.151 401 G C -0.698 173.994 174.900 -0.346 0.000 1.265 401 G CA -0.688 44.163 45.100 -0.413 0.000 0.981 401 G HN 0.359 nan 8.290 nan 0.000 0.601 411 N N 1.760 120.424 118.700 -0.059 0.000 2.061 411 N HA -0.076 4.664 4.740 -0.000 0.000 0.193 411 N C 1.628 177.088 175.510 -0.083 0.000 1.030 411 N CA 1.798 54.811 53.050 -0.062 0.000 0.856 411 N CB -0.374 38.091 38.487 -0.037 0.000 1.023 411 N HN 0.402 nan 8.380 nan 0.000 0.424 412 A N 1.585 124.365 122.820 -0.068 0.000 1.865 412 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 412 A C 2.265 179.715 177.584 -0.223 0.000 1.191 412 A CA 0.987 52.987 52.037 -0.063 0.000 0.623 412 A CB -0.681 18.346 19.000 0.045 0.000 0.826 412 A HN 0.245 nan 8.150 nan 0.000 0.444 413 I N -0.248 120.085 120.570 -0.395 0.000 2.226 413 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 413 I C 2.133 177.963 176.117 -0.479 0.000 1.100 413 I CA 1.823 62.639 61.300 -0.807 0.000 1.374 413 I CB -0.708 36.877 38.000 -0.692 0.000 1.057 413 I HN 0.364 nan 8.210 nan 0.000 0.413 414 K N 0.052 120.288 120.400 -0.274 0.000 2.026 414 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 414 K C 1.956 178.464 176.600 -0.154 0.000 1.048 414 K CA 1.289 57.468 56.287 -0.180 0.000 0.929 414 K CB -0.328 32.099 32.500 -0.123 0.000 0.713 414 K HN 0.163 nan 8.250 nan 0.000 0.439 415 L N 1.140 122.277 121.223 -0.143 0.000 2.017 415 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 415 L C 2.204 179.006 176.870 -0.114 0.000 1.073 415 L CA 1.832 56.603 54.840 -0.115 0.000 0.745 415 L CB -0.764 41.237 42.059 -0.097 0.000 0.894 415 L HN 0.160 nan 8.230 nan 0.000 0.432 416 A N -0.367 122.370 122.820 -0.138 0.000 1.892 416 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 416 A C 2.445 179.977 177.584 -0.087 0.000 1.188 416 A CA 2.051 54.035 52.037 -0.089 0.000 0.631 416 A CB -0.580 18.369 19.000 -0.086 0.000 0.822 416 A HN 0.511 nan 8.150 nan 0.000 0.447 417 R N -0.939 119.474 120.500 -0.144 0.000 2.090 417 R HA 0.022 4.362 4.340 -0.000 0.000 0.228 417 R C 2.484 178.747 176.300 -0.061 0.000 1.110 417 R CA 1.017 57.059 56.100 -0.097 0.000 0.973 417 R CB -0.452 29.772 30.300 -0.126 0.000 0.869 417 R HN 0.522 nan 8.270 nan 0.000 0.440 418 A N 1.101 123.880 122.820 -0.068 0.000 1.933 418 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 418 A C 1.968 179.543 177.584 -0.013 0.000 1.175 418 A CA 1.137 53.150 52.037 -0.040 0.000 0.628 418 A CB -0.242 18.730 19.000 -0.048 0.000 0.814 418 A HN 0.090 nan 8.150 nan 0.000 0.444 419 L N -1.460 119.748 121.223 -0.025 0.000 2.240 419 L HA 0.173 4.513 4.340 -0.000 0.000 0.211 419 L C 1.859 178.745 176.870 0.027 0.000 1.106 419 L CA 1.545 56.388 54.840 0.004 0.000 0.793 419 L CB -0.932 41.105 42.059 -0.037 0.000 0.927 419 L HN 0.732 nan 8.230 nan 0.000 0.446 420 G N -0.625 108.179 108.800 0.007 0.000 2.132 420 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.228 420 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.228 420 G C 0.371 175.279 174.900 0.012 0.000 1.000 420 G CA 0.305 45.412 45.100 0.011 0.000 0.693 420 G HN 0.462 nan 8.290 nan 0.000 0.515 421 V N -2.151 117.770 119.914 0.012 0.000 3.083 421 V HA 0.822 4.942 4.120 -0.000 0.000 0.306 421 V C 0.833 176.934 176.094 0.010 0.000 1.077 421 V CA 0.073 62.379 62.300 0.011 0.000 1.073 421 V CB 1.228 33.059 31.823 0.013 0.000 1.081 421 V HN 0.423 nan 8.190 nan 0.000 0.474 422 T N 4.340 118.883 114.554 -0.018 0.000 2.738 422 T HA 0.347 4.697 4.350 -0.000 0.000 0.293 422 T C -0.646 173.994 174.700 -0.100 0.000 0.913 422 T CA 0.503 62.572 62.100 -0.053 0.000 1.103 422 T CB -0.550 68.266 68.868 -0.086 0.000 0.880 422 T HN 0.612 nan 8.240 nan 0.000 0.526 423 F N 2.741 122.570 119.950 -0.201 0.000 2.450 423 F HA 0.652 5.179 4.527 -0.000 0.000 0.332 423 F C 0.203 175.825 175.800 -0.297 0.000 1.093 423 F CA -0.458 57.390 58.000 -0.254 0.000 1.003 423 F CB 1.504 40.410 39.000 -0.157 0.000 1.151 423 F HN 0.481 nan 8.300 nan 0.000 0.474 424 S N 3.464 118.267 115.700 -1.494 0.000 2.550 424 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 424 S C -1.705 172.281 174.600 -1.024 0.000 1.145 424 S CA -0.704 56.900 58.200 -0.994 0.000 0.852 424 S CB 1.452 64.239 63.200 -0.687 0.000 1.119 424 S HN 0.795 nan 8.310 nan 0.000 0.465 425 E N 2.563 122.512 120.200 -0.419 0.000 2.171 425 E HA 0.649 4.999 4.350 -0.000 0.000 0.271 425 E C -1.309 175.245 176.600 -0.076 0.000 0.916 425 E CA -0.509 55.782 56.400 -0.181 0.000 0.774 425 E CB 1.031 30.723 29.700 -0.013 0.000 1.128 425 E HN 0.582 nan 8.360 nan 0.000 0.403 426 I N 3.702 124.227 120.570 -0.075 0.000 2.439 426 I HA 0.151 4.321 4.170 -0.000 0.000 0.285 426 I C -0.815 175.172 176.117 -0.218 0.000 1.021 426 I CA -0.716 60.488 61.300 -0.160 0.000 1.091 426 I CB 1.746 39.593 38.000 -0.256 0.000 1.242 426 I HN 0.510 nan 8.210 nan 0.000 0.439 427 D N 7.534 127.822 120.400 -0.186 0.000 2.352 427 D HA 0.154 4.794 4.640 -0.000 0.000 0.245 427 D C 1.160 177.316 176.300 -0.240 0.000 1.224 427 D CA -0.181 53.716 54.000 -0.171 0.000 0.879 427 D CB 1.092 41.836 40.800 -0.093 0.000 1.057 427 D HN 0.589 nan 8.370 nan 0.000 0.491 428 I N 1.279 121.675 120.570 -0.290 0.000 3.444 428 I HA 0.126 4.296 4.170 -0.000 0.000 0.287 428 I C 1.692 177.665 176.117 -0.239 0.000 1.302 428 I CA 0.082 61.208 61.300 -0.289 0.000 1.368 428 I CB 0.027 37.865 38.000 -0.270 0.000 1.048 428 I HN 0.271 nan 8.210 nan 0.000 0.487 429 G N 1.756 110.407 108.800 -0.248 0.000 2.459 429 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 429 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 429 G C 1.152 176.082 174.900 0.050 0.000 1.183 429 G CA 1.274 46.244 45.100 -0.217 0.000 0.776 429 G HN 0.386 nan 8.290 nan 0.000 0.552 430 D N 0.055 120.489 120.400 0.057 0.000 2.144 430 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 430 D C 2.824 179.190 176.300 0.110 0.000 0.984 430 D CA 1.494 55.555 54.000 0.102 0.000 0.834 430 D CB -0.474 40.367 40.800 0.069 0.000 0.955 430 D HN 0.301 nan 8.370 nan 0.000 0.465 431 T N 0.109 114.716 114.554 0.089 0.000 2.904 431 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 431 T C 2.018 176.776 174.700 0.097 0.000 1.059 431 T CA 1.105 63.273 62.100 0.114 0.000 1.137 431 T CB -0.156 68.835 68.868 0.204 0.000 0.879 431 T HN 0.156 nan 8.240 nan 0.000 0.467 432 A N 2.082 124.941 122.820 0.064 0.000 1.898 432 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 432 A C 2.419 180.147 177.584 0.240 0.000 1.181 432 A CA 1.215 53.297 52.037 0.075 0.000 0.620 432 A CB -0.500 18.430 19.000 -0.117 0.000 0.819 432 A HN 0.370 nan 8.150 nan 0.000 0.442 433 R N -1.147 119.567 120.500 0.356 0.000 2.080 433 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 433 R C 2.142 178.582 176.300 0.232 0.000 1.137 433 R CA 1.618 57.919 56.100 0.334 0.000 0.943 433 R CB -0.627 29.848 30.300 0.291 0.000 0.846 433 R HN 0.489 nan 8.270 nan 0.000 0.431 434 L N 0.753 122.082 121.223 0.176 0.000 2.046 434 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 434 L C 2.262 179.230 176.870 0.163 0.000 1.077 434 L CA 1.680 56.614 54.840 0.156 0.000 0.747 434 L CB -0.368 41.758 42.059 0.112 0.000 0.896 434 L HN 0.191 nan 8.230 nan 0.000 0.432 435 M N -1.473 118.203 119.600 0.127 0.000 2.099 435 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 435 M C 2.164 178.536 176.300 0.120 0.000 1.067 435 M CA 1.831 57.188 55.300 0.094 0.000 1.124 435 M CB -0.145 32.484 32.600 0.050 0.000 1.353 435 M HN 0.324 nan 8.290 nan 0.000 0.410 436 L N -0.968 120.347 121.223 0.153 0.000 2.079 436 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 436 L C 2.764 179.785 176.870 0.253 0.000 1.081 436 L CA 1.476 56.432 54.840 0.194 0.000 0.752 436 L CB -1.171 41.016 42.059 0.213 0.000 0.896 436 L HN 0.517 nan 8.230 nan 0.000 0.433 437 H N -0.117 119.042 119.070 0.149 0.000 2.299 437 H HA -0.155 4.401 4.556 -0.000 0.000 0.302 437 H C 2.092 177.474 175.328 0.091 0.000 1.078 437 H CA 1.969 58.087 56.048 0.116 0.000 1.323 437 H CB 0.248 30.064 29.762 0.091 0.000 1.381 437 H HN 0.245 nan 8.280 nan 0.000 0.498 438 T N 1.243 115.823 114.554 0.043 0.000 2.737 438 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 438 T C 2.121 176.798 174.700 -0.039 0.000 1.040 438 T CA 1.484 63.569 62.100 -0.025 0.000 1.142 438 T CB -0.195 68.698 68.868 0.043 0.000 0.861 438 T HN 0.316 nan 8.240 nan 0.000 0.456 439 I N 0.346 120.928 120.570 0.020 0.000 3.111 439 I HA 0.121 4.291 4.170 -0.000 0.000 0.272 439 I C 1.776 177.915 176.117 0.036 0.000 1.268 439 I CA 0.399 61.723 61.300 0.039 0.000 1.467 439 I CB -0.293 37.758 38.000 0.085 0.000 1.087 439 I HN 0.445 nan 8.210 nan 0.000 0.467 440 G N 0.993 109.798 108.800 0.009 0.000 2.160 440 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 440 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 440 G C 0.385 175.331 174.900 0.078 0.000 1.022 440 G CA -0.152 44.947 45.100 -0.001 0.000 0.741 440 G HN 0.493 nan 8.290 nan 0.000 0.508 441 H N 1.307 120.422 119.070 0.075 0.000 2.886 441 H HA 0.157 4.713 4.556 -0.000 0.000 0.329 441 H C -0.601 174.808 175.328 0.134 0.000 1.044 441 H CA -0.406 55.715 56.048 0.122 0.000 1.456 441 H CB 1.390 31.263 29.762 0.185 0.000 1.464 441 H HN 0.116 nan 8.280 nan 0.000 0.573 442 P HA -0.222 nan 4.420 nan 0.000 0.218 442 P C 1.272 178.680 177.300 0.180 0.000 1.146 442 P CA 1.253 64.361 63.100 0.014 0.000 0.813 442 P CB -0.226 31.405 31.700 -0.115 0.000 0.778 443 Y N 1.832 122.332 120.300 0.333 0.000 2.352 443 Y HA -0.159 4.391 4.550 -0.000 0.000 0.292 443 Y C 2.365 178.353 175.900 0.146 0.000 1.136 443 Y CA 1.811 60.043 58.100 0.219 0.000 1.227 443 Y CB -0.593 38.050 38.460 0.305 0.000 0.991 443 Y HN 0.025 nan 8.280 nan 0.000 0.545 444 S N -0.603 115.252 115.700 0.259 0.000 2.507 444 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 444 S C 1.261 175.891 174.600 0.051 0.000 0.988 444 S CA 0.805 59.099 58.200 0.156 0.000 0.944 444 S CB -0.854 62.544 63.200 0.330 0.000 0.762 444 S HN 0.403 nan 8.310 nan 0.000 0.526 445 V N -3.135 116.795 119.914 0.027 0.000 3.121 445 V HA 0.804 4.924 4.120 -0.000 0.000 0.344 445 V C 1.180 177.228 176.094 -0.077 0.000 1.390 445 V CA -0.030 62.263 62.300 -0.012 0.000 1.177 445 V CB -0.675 31.162 31.823 0.025 0.000 1.163 445 V HN 0.616 nan 8.190 nan 0.000 0.484 446 G N -0.019 108.681 108.800 -0.168 0.000 2.232 446 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.226 446 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.226 446 G C -0.047 174.748 174.900 -0.175 0.000 0.996 446 G CA 0.036 45.015 45.100 -0.201 0.000 0.626 446 G HN 0.557 nan 8.290 nan 0.000 0.509 447 E N 1.270 121.403 120.200 -0.112 0.000 2.366 447 E HA 0.260 4.610 4.350 -0.000 0.000 0.266 447 E C 0.277 176.806 176.600 -0.118 0.000 1.015 447 E CA 0.067 56.411 56.400 -0.093 0.000 0.906 447 E CB 0.651 30.314 29.700 -0.062 0.000 0.979 447 E HN 0.459 nan 8.360 nan 0.000 0.443 448 K N 1.695 121.958 120.400 -0.228 0.000 2.737 448 K HA 0.161 4.481 4.320 -0.000 0.000 0.251 448 K C -0.452 175.657 176.600 -0.818 0.000 1.280 448 K CA -0.122 55.824 56.287 -0.570 0.000 1.219 448 K CB 0.086 32.335 32.500 -0.419 0.000 1.587 448 K HN 0.121 nan 8.250 nan 0.000 0.279 449 V N 2.781 122.375 119.914 -0.534 0.000 2.304 449 V HA 0.099 4.219 4.120 -0.000 0.000 0.262 449 V C -0.427 175.428 176.094 -0.398 0.000 1.061 449 V CA -0.600 61.497 62.300 -0.338 0.000 0.872 449 V CB -0.554 31.210 31.823 -0.098 0.000 1.077 449 V HN 0.476 nan 8.190 nan 0.000 0.480 450 Y N 3.238 123.402 120.300 -0.227 0.000 2.849 450 Y HA 0.319 4.869 4.550 -0.000 0.000 0.356 450 Y C 0.773 176.669 175.900 -0.006 0.000 1.236 450 Y CA -1.310 56.565 58.100 -0.374 0.000 1.508 450 Y CB 0.085 38.310 38.460 -0.392 0.000 1.619 450 Y HN 0.721 nan 8.280 nan 0.000 0.513 451 D N -1.776 118.764 120.400 0.233 0.000 2.511 451 D HA 0.093 4.733 4.640 -0.000 0.000 0.276 451 D C 1.170 177.623 176.300 0.256 0.000 1.220 451 D CA -0.716 53.417 54.000 0.222 0.000 1.077 451 D CB 0.428 41.339 40.800 0.184 0.000 1.126 451 D HN 0.087 nan 8.370 nan 0.000 0.583 452 V N -0.167 119.856 119.914 0.181 0.000 2.282 452 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 452 V C 2.422 178.604 176.094 0.145 0.000 1.057 452 V CA 2.684 65.067 62.300 0.138 0.000 1.032 452 V CB -1.122 30.764 31.823 0.106 0.000 0.645 452 V HN 0.684 nan 8.190 nan 0.000 0.447 453 T N 0.120 114.785 114.554 0.185 0.000 2.652 453 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 453 T C 1.664 176.428 174.700 0.105 0.000 1.039 453 T CA 2.147 64.346 62.100 0.165 0.000 1.153 453 T CB -0.508 68.513 68.868 0.254 0.000 0.863 453 T HN 0.461 nan 8.240 nan 0.000 0.428 454 F N 1.943 121.894 119.950 0.001 0.000 2.091 454 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 454 F C 2.339 178.113 175.800 -0.044 0.000 1.103 454 F CA 1.766 59.682 58.000 -0.141 0.000 1.228 454 F CB -0.278 38.682 39.000 -0.066 0.000 0.984 454 F HN 0.199 nan 8.300 nan 0.000 0.477 455 E N -0.257 120.028 120.200 0.142 0.000 2.077 455 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 455 E C 1.866 178.415 176.600 -0.085 0.000 0.989 455 E CA 1.368 57.782 56.400 0.023 0.000 0.800 455 E CB -0.220 29.533 29.700 0.089 0.000 0.746 455 E HN 0.407 nan 8.360 nan 0.000 0.452 456 N N 0.074 118.747 118.700 -0.045 0.000 2.216 456 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 456 N C 1.776 177.235 175.510 -0.085 0.000 1.017 456 N CA 0.484 53.503 53.050 -0.052 0.000 0.861 456 N CB -0.271 38.215 38.487 -0.002 0.000 0.986 456 N HN -0.049 nan 8.380 nan 0.000 0.428 457 V N 1.330 121.181 119.914 -0.105 0.000 2.380 457 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 457 V C 2.197 178.198 176.094 -0.156 0.000 1.063 457 V CA 1.727 63.955 62.300 -0.121 0.000 1.055 457 V CB -0.405 31.332 31.823 -0.143 0.000 0.657 457 V HN 0.398 nan 8.190 nan 0.000 0.455 458 Q N -0.923 118.740 119.800 -0.228 0.000 2.033 458 Q HA -0.055 4.285 4.340 -0.000 0.000 0.196 458 Q C 2.478 178.382 176.000 -0.161 0.000 0.970 458 Q CA 1.417 57.071 55.803 -0.249 0.000 0.828 458 Q CB -0.417 28.111 28.738 -0.350 0.000 0.895 458 Q HN 0.645 nan 8.270 nan 0.000 0.440 459 A N 1.203 123.941 122.820 -0.136 0.000 1.884 459 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 459 A C 2.284 179.818 177.584 -0.083 0.000 1.197 459 A CA 2.062 54.040 52.037 -0.099 0.000 0.637 459 A CB -1.570 17.374 19.000 -0.093 0.000 0.827 459 A HN 0.518 nan 8.150 nan 0.000 0.450 460 G N -0.815 107.931 108.800 -0.089 0.000 2.440 460 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 460 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 460 G C 1.383 176.237 174.900 -0.077 0.000 1.154 460 G CA 1.129 46.173 45.100 -0.094 0.000 0.767 460 G HN 0.342 nan 8.290 nan 0.000 0.552 461 L N 0.609 121.800 121.223 -0.053 0.000 2.056 461 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 461 L C 2.927 179.865 176.870 0.112 0.000 1.078 461 L CA 1.177 56.028 54.840 0.019 0.000 0.749 461 L CB -1.107 40.977 42.059 0.042 0.000 0.901 461 L HN 0.242 nan 8.230 nan 0.000 0.433 462 R N -1.142 119.376 120.500 0.031 0.000 2.113 462 R HA -0.201 4.139 4.340 -0.000 0.000 0.244 462 R C 2.078 178.417 176.300 0.065 0.000 1.142 462 R CA 2.095 58.212 56.100 0.027 0.000 0.953 462 R CB -0.772 29.513 30.300 -0.025 0.000 0.860 462 R HN 0.345 nan 8.270 nan 0.000 0.438 463 T N 0.599 115.174 114.554 0.036 0.000 2.777 463 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 463 T C 1.418 176.178 174.700 0.100 0.000 1.040 463 T CA 1.255 63.404 62.100 0.080 0.000 1.141 463 T CB -0.324 68.529 68.868 -0.024 0.000 0.868 463 T HN 0.252 nan 8.240 nan 0.000 0.444 464 D N 0.005 120.387 120.400 -0.030 0.000 2.104 464 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 464 D C 1.870 178.132 176.300 -0.063 0.000 0.994 464 D CA 1.323 55.263 54.000 -0.100 0.000 0.830 464 D CB -0.219 40.478 40.800 -0.171 0.000 0.959 464 D HN 0.390 nan 8.370 nan 0.000 0.452 465 Y N 0.819 121.085 120.300 -0.058 0.000 2.097 465 Y HA -0.159 4.391 4.550 -0.000 0.000 0.282 465 Y C 2.621 178.438 175.900 -0.139 0.000 1.152 465 Y CA 1.063 59.097 58.100 -0.111 0.000 1.136 465 Y CB -0.531 37.832 38.460 -0.162 0.000 0.975 465 Y HN -0.009 nan 8.280 nan 0.000 0.498 466 L N -1.866 119.390 121.223 0.054 0.000 2.042 466 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 466 L C 2.213 179.078 176.870 -0.008 0.000 1.076 466 L CA 1.444 56.252 54.840 -0.052 0.000 0.749 466 L CB -0.716 41.348 42.059 0.010 0.000 0.893 466 L HN 0.164 nan 8.230 nan 0.000 0.432 467 F N -0.310 119.612 119.950 -0.047 0.000 2.171 467 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 467 F C 2.670 178.461 175.800 -0.015 0.000 1.090 467 F CA 0.950 58.950 58.000 0.001 0.000 1.293 467 F CB -0.123 38.851 39.000 -0.045 0.000 1.013 467 F HN -0.036 nan 8.300 nan 0.000 0.486 468 R N -0.061 120.498 120.500 0.097 0.000 2.093 468 R HA -0.047 4.293 4.340 -0.000 0.000 0.224 468 R C 2.206 178.494 176.300 -0.019 0.000 1.101 468 R CA 0.775 56.881 56.100 0.010 0.000 0.979 468 R CB -0.943 29.315 30.300 -0.071 0.000 0.877 468 R HN 0.265 nan 8.270 nan 0.000 0.441 469 I N 1.112 121.647 120.570 -0.058 0.000 2.163 469 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 469 I C 2.389 178.478 176.117 -0.047 0.000 1.085 469 I CA 1.528 62.775 61.300 -0.089 0.000 1.347 469 I CB -1.374 36.467 38.000 -0.265 0.000 1.044 469 I HN 0.045 nan 8.210 nan 0.000 0.408 470 A N 1.201 123.986 122.820 -0.058 0.000 1.883 470 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 470 A C 2.135 179.681 177.584 -0.063 0.000 1.186 470 A CA 1.952 53.943 52.037 -0.077 0.000 0.624 470 A CB -0.713 18.207 19.000 -0.132 0.000 0.822 470 A HN 0.435 nan 8.150 nan 0.000 0.444 471 N N -0.462 118.225 118.700 -0.022 0.000 2.084 471 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 471 N C 1.961 177.462 175.510 -0.016 0.000 1.030 471 N CA 1.663 54.706 53.050 -0.012 0.000 0.849 471 N CB -0.513 37.986 38.487 0.020 0.000 1.012 471 N HN 0.793 nan 8.380 nan 0.000 0.423 472 Q N 0.568 120.362 119.800 -0.011 0.000 2.119 472 Q HA -0.029 4.311 4.340 -0.000 0.000 0.201 472 Q C 1.021 177.020 176.000 -0.002 0.000 0.972 472 Q CA 1.273 57.073 55.803 -0.005 0.000 0.847 472 Q CB 0.154 28.891 28.738 -0.001 0.000 0.903 472 Q HN 0.111 nan 8.270 nan 0.000 0.433 473 R N -1.135 119.364 120.500 -0.003 0.000 2.432 473 R HA 0.201 4.541 4.340 -0.000 0.000 0.260 473 R C 0.252 176.548 176.300 -0.007 0.000 0.935 473 R CA 0.629 56.733 56.100 0.007 0.000 1.080 473 R CB 0.960 31.282 30.300 0.035 0.000 1.155 473 R HN 0.406 nan 8.270 nan 0.000 0.531 474 G N 0.144 108.928 108.800 -0.027 0.000 2.295 474 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.287 474 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.287 474 G C 0.190 175.055 174.900 -0.059 0.000 1.055 474 G CA 0.139 45.214 45.100 -0.043 0.000 0.922 474 G HN 0.509 nan 8.290 nan 0.000 0.503 475 G N -0.897 107.853 108.800 -0.083 0.000 3.016 475 G HA2 0.949 4.909 3.960 -0.000 0.000 0.270 475 G HA3 0.949 4.909 3.960 -0.000 0.000 0.270 475 G C -0.201 174.571 174.900 -0.213 0.000 1.352 475 G CA -0.651 44.390 45.100 -0.099 0.000 1.060 475 G HN 1.319 nan 8.290 nan 0.000 0.538 476 I N -2.234 118.217 120.570 -0.198 0.000 2.647 476 I HA 0.640 4.810 4.170 -0.000 0.000 0.295 476 I C -0.757 175.323 176.117 -0.062 0.000 1.078 476 I CA -1.283 59.835 61.300 -0.304 0.000 1.048 476 I CB 2.278 40.134 38.000 -0.240 0.000 1.239 476 I HN 0.185 nan 8.210 nan 0.000 0.421 477 V N 5.762 125.734 119.914 0.097 0.000 2.488 477 V HA 0.180 4.300 4.120 -0.000 0.000 0.277 477 V C 0.397 176.500 176.094 0.016 0.000 1.046 477 V CA -0.439 61.831 62.300 -0.051 0.000 0.986 477 V CB 1.034 32.622 31.823 -0.392 0.000 0.989 477 V HN 0.455 nan 8.190 nan 0.000 0.475 478 L N 4.760 126.006 121.223 0.037 0.000 2.319 478 L HA 0.414 4.754 4.340 -0.000 0.000 0.280 478 L C 1.007 177.904 176.870 0.046 0.000 1.099 478 L CA 0.724 55.604 54.840 0.068 0.000 0.828 478 L CB 0.723 42.823 42.059 0.068 0.000 1.150 478 L HN 0.806 nan 8.230 nan 0.000 0.442 479 G N 2.379 111.202 108.800 0.039 0.000 2.483 479 G HA2 0.333 4.293 3.960 -0.000 0.000 0.248 479 G HA3 0.333 4.293 3.960 -0.000 0.000 0.248 479 G C 0.535 175.444 174.900 0.015 0.000 1.248 479 G CA -0.109 45.000 45.100 0.015 0.000 0.838 479 G HN 0.728 nan 8.290 nan 0.000 0.566 480 T N 0.594 115.157 114.554 0.014 0.000 2.966 480 T HA 0.255 4.605 4.350 -0.000 0.000 0.254 480 T C 1.424 176.129 174.700 0.009 0.000 0.961 480 T CA 0.470 62.582 62.100 0.020 0.000 0.915 480 T CB 0.033 68.919 68.868 0.029 0.000 1.186 480 T HN 0.792 nan 8.240 nan 0.000 0.505 481 G N 2.664 111.464 108.800 -0.000 0.000 2.432 481 G HA2 0.381 4.341 3.960 -0.000 0.000 0.239 481 G HA3 0.381 4.341 3.960 -0.000 0.000 0.239 481 G C -0.456 174.431 174.900 -0.021 0.000 1.291 481 G CA -0.300 44.797 45.100 -0.005 0.000 0.863 481 G HN 0.456 nan 8.290 nan 0.000 0.560 482 D N 0.799 121.176 120.400 -0.037 0.000 2.440 482 D HA 0.231 4.871 4.640 -0.000 0.000 0.258 482 D C 1.392 177.651 176.300 -0.068 0.000 1.092 482 D CA -1.031 52.929 54.000 -0.065 0.000 1.016 482 D CB 1.014 41.752 40.800 -0.104 0.000 1.141 482 D HN 0.164 nan 8.370 nan 0.000 0.552 483 L N 0.577 121.741 121.223 -0.099 0.000 2.079 483 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 483 L C 1.922 178.759 176.870 -0.055 0.000 1.081 483 L CA 1.856 56.638 54.840 -0.096 0.000 0.752 483 L CB -0.698 41.255 42.059 -0.176 0.000 0.896 483 L HN 0.505 nan 8.230 nan 0.000 0.433 484 S N -0.758 114.899 115.700 -0.071 0.000 2.383 484 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 484 S C 1.756 176.459 174.600 0.172 0.000 1.026 484 S CA 1.321 59.552 58.200 0.052 0.000 0.981 484 S CB -0.280 62.921 63.200 0.002 0.000 0.818 484 S HN 0.556 nan 8.310 nan 0.000 0.472 485 E N 0.752 121.013 120.200 0.101 0.000 2.072 485 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 485 E C 1.855 178.550 176.600 0.160 0.000 0.985 485 E CA 0.752 57.274 56.400 0.202 0.000 0.801 485 E CB -0.208 29.579 29.700 0.146 0.000 0.750 485 E HN 0.234 nan 8.360 nan 0.000 0.452 486 L N 0.803 122.073 121.223 0.079 0.000 2.046 486 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 486 L C 2.330 179.243 176.870 0.071 0.000 1.077 486 L CA 1.782 56.650 54.840 0.047 0.000 0.747 486 L CB -0.741 41.328 42.059 0.016 0.000 0.896 486 L HN 0.089 nan 8.230 nan 0.000 0.432 487 A N -1.045 121.845 122.820 0.117 0.000 1.908 487 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 487 A C 1.958 179.635 177.584 0.155 0.000 1.181 487 A CA 1.568 53.720 52.037 0.192 0.000 0.627 487 A CB -0.527 18.591 19.000 0.197 0.000 0.818 487 A HN 0.300 nan 8.150 nan 0.000 0.445 488 L N -1.462 119.862 121.223 0.169 0.000 2.529 488 L HA 0.229 4.569 4.340 -0.000 0.000 0.223 488 L C 1.714 178.741 176.870 0.262 0.000 1.113 488 L CA 1.153 56.093 54.840 0.166 0.000 0.861 488 L CB -1.507 40.672 42.059 0.200 0.000 1.012 488 L HN 0.672 nan 8.230 nan 0.000 0.461 489 G N -0.870 108.069 108.800 0.232 0.000 2.221 489 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.265 489 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.265 489 G C 0.204 175.328 174.900 0.374 0.000 1.041 489 G CA 0.110 45.359 45.100 0.249 0.000 0.807 489 G HN 0.484 nan 8.290 nan 0.000 0.502 490 W N 1.756 123.139 121.300 0.137 0.000 1.864 490 W HA 0.521 5.181 4.660 -0.000 0.000 0.425 490 W C 0.490 177.071 176.519 0.104 0.000 0.791 490 W CA 0.145 57.572 57.345 0.138 0.000 1.650 490 W CB -0.038 29.534 29.460 0.185 0.000 1.791 490 W HN 0.844 nan 8.180 nan 0.000 0.266 491 S N 1.731 117.383 115.700 -0.079 0.000 2.645 491 S HA 0.347 4.817 4.470 -0.000 0.000 0.268 491 S C -1.042 173.514 174.600 -0.073 0.000 1.110 491 S CA -0.782 57.365 58.200 -0.088 0.000 0.823 491 S CB 1.885 65.082 63.200 -0.006 0.000 1.091 491 S HN -0.052 nan 8.310 nan 0.000 0.466 492 T N 2.608 117.127 114.554 -0.059 0.000 2.749 492 T HA 0.427 4.777 4.350 -0.000 0.000 0.287 492 T C -1.013 173.696 174.700 0.015 0.000 0.970 492 T CA -0.142 61.947 62.100 -0.018 0.000 0.980 492 T CB 0.236 69.071 68.868 -0.054 0.000 0.924 492 T HN 0.555 nan 8.240 nan 0.000 0.456 493 Y N 3.094 123.368 120.300 -0.044 0.000 2.377 493 Y HA 0.435 4.985 4.550 -0.000 0.000 0.330 493 Y C 1.218 177.091 175.900 -0.045 0.000 1.108 493 Y CA 1.190 59.251 58.100 -0.064 0.000 1.308 493 Y CB 0.058 38.497 38.460 -0.036 0.000 1.216 493 Y HN 0.908 nan 8.280 nan 0.000 0.518 494 G N 3.492 111.763 108.800 -0.882 0.000 5.045 494 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.229 494 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.229 494 G C -0.317 174.280 174.900 -0.505 0.000 1.440 494 G CA 0.065 44.601 45.100 -0.941 0.000 0.936 494 G HN 1.441 nan 8.290 nan 0.000 0.690 495 V N 1.930 121.625 119.914 -0.366 0.000 2.311 495 V HA 0.749 4.869 4.120 -0.000 0.000 0.275 495 V C 0.356 176.323 176.094 -0.211 0.000 1.022 495 V CA 1.177 63.295 62.300 -0.303 0.000 0.830 495 V CB 0.325 31.994 31.823 -0.257 0.000 1.012 495 V HN 2.593 nan 8.190 nan 0.000 0.452 496 G N 4.118 112.798 108.800 -0.201 0.000 2.379 496 G HA2 0.138 4.098 3.960 -0.000 0.000 0.609 496 G HA3 0.138 4.098 3.960 -0.000 0.000 0.609 496 G C -0.217 174.627 174.900 -0.094 0.000 1.484 496 G CA -0.007 45.021 45.100 -0.120 0.000 0.921 496 G HN 0.987 nan 8.290 nan 0.000 0.658 497 D N -0.973 119.398 120.400 -0.047 0.000 4.484 497 D HA -0.308 4.332 4.640 -0.000 0.000 0.247 497 D C 1.654 177.939 176.300 -0.025 0.000 1.020 497 D CA 2.337 56.318 54.000 -0.033 0.000 2.101 497 D CB -0.514 40.255 40.800 -0.053 0.000 1.165 497 D HN 0.675 nan 8.370 nan 0.000 0.427 498 Q N 0.879 120.651 119.800 -0.046 0.000 2.436 498 Q HA -0.073 4.267 4.340 -0.000 0.000 0.209 498 Q C 0.464 176.434 176.000 -0.050 0.000 0.965 498 Q CA 0.587 56.366 55.803 -0.041 0.000 0.910 498 Q CB 0.080 28.799 28.738 -0.032 0.000 0.980 498 Q HN 0.383 nan 8.270 nan 0.000 0.491 499 M N 0.438 120.005 119.600 -0.055 0.000 2.311 499 M HA 0.338 4.818 4.480 -0.000 0.000 0.325 499 M C -1.186 175.205 176.300 0.152 0.000 1.061 499 M CA -0.561 54.715 55.300 -0.041 0.000 0.957 499 M CB 1.978 34.444 32.600 -0.223 0.000 1.646 499 M HN 0.077 nan 8.290 nan 0.000 0.434 500 S N 2.078 117.880 115.700 0.171 0.000 2.661 500 S HA 0.511 4.981 4.470 -0.000 0.000 0.268 500 S C 0.183 174.740 174.600 -0.072 0.000 1.162 500 S CA -0.861 57.394 58.200 0.091 0.000 0.817 500 S CB 0.798 64.017 63.200 0.031 0.000 1.141 500 S HN 0.736 nan 8.310 nan 0.000 0.477 501 H N -0.766 118.292 119.070 -0.021 0.000 2.448 501 H HA 0.263 4.819 4.556 -0.000 0.000 0.292 501 H C -0.606 174.811 175.328 0.149 0.000 1.035 501 H CA 1.325 57.388 56.048 0.025 0.000 1.349 501 H CB 0.184 29.903 29.762 -0.072 0.000 1.425 501 H HN 0.599 nan 8.280 nan 0.000 0.539 502 Y N 0.926 121.267 120.300 0.068 0.000 2.399 502 Y HA 0.221 4.771 4.550 -0.000 0.000 0.327 502 Y C -1.193 174.719 175.900 0.020 0.000 1.111 502 Y CA -1.207 56.914 58.100 0.036 0.000 1.047 502 Y CB 1.219 39.695 38.460 0.027 0.000 1.259 502 Y HN -0.116 nan 8.280 nan 0.000 0.434 503 N N 4.325 122.783 118.700 -0.403 0.000 2.501 503 N HA 0.241 4.981 4.740 -0.000 0.000 0.245 503 N C 0.583 175.928 175.510 -0.275 0.000 0.974 503 N CA -0.155 52.753 53.050 -0.237 0.000 0.941 503 N CB 1.541 39.928 38.487 -0.165 0.000 1.122 503 N HN 0.568 nan 8.380 nan 0.000 0.507 504 V N 1.230 121.095 119.914 -0.082 0.000 2.667 504 V HA 0.068 4.188 4.120 -0.000 0.000 0.252 504 V C 1.114 177.202 176.094 -0.010 0.000 1.065 504 V CA 1.076 63.366 62.300 -0.016 0.000 1.083 504 V CB -0.292 31.566 31.823 0.059 0.000 0.692 504 V HN 0.459 nan 8.190 nan 0.000 0.468 505 N N 0.717 119.412 118.700 -0.008 0.000 2.299 505 N HA 0.297 5.037 4.740 -0.000 0.000 0.187 505 N C 1.856 177.345 175.510 -0.034 0.000 1.099 505 N CA 0.981 54.038 53.050 0.010 0.000 0.867 505 N CB 0.585 39.090 38.487 0.030 0.000 0.974 505 N HN 0.554 nan 8.380 nan 0.000 0.477 506 A N 0.771 123.553 122.820 -0.064 0.000 1.940 506 A HA -0.148 4.172 4.320 -0.000 0.000 0.221 506 A C 2.104 179.649 177.584 -0.064 0.000 1.190 506 A CA 2.169 54.163 52.037 -0.072 0.000 0.647 506 A CB -0.990 17.945 19.000 -0.108 0.000 0.821 506 A HN 0.332 nan 8.150 nan 0.000 0.457 507 G N -1.754 107.010 108.800 -0.060 0.000 3.042 507 G HA2 0.380 4.340 3.960 -0.000 0.000 0.212 507 G HA3 0.380 4.340 3.960 -0.000 0.000 0.212 507 G C 0.124 174.979 174.900 -0.075 0.000 1.166 507 G CA 0.530 45.597 45.100 -0.054 0.000 0.767 507 G HN 0.301 nan 8.290 nan 0.000 0.546 508 V N 3.163 123.029 119.914 -0.080 0.000 2.370 508 V HA 0.316 4.436 4.120 -0.000 0.000 0.279 508 V C -1.888 174.100 176.094 -0.178 0.000 1.029 508 V CA -2.028 60.209 62.300 -0.105 0.000 0.870 508 V CB 1.873 33.668 31.823 -0.047 0.000 0.984 508 V HN 0.058 nan 8.190 nan 0.000 0.451 509 P HA 0.226 nan 4.420 nan 0.000 0.276 509 P C 0.413 177.583 177.300 -0.217 0.000 1.252 509 P CA -0.514 62.371 63.100 -0.359 0.000 0.802 509 P CB 1.684 32.926 31.700 -0.764 0.000 1.035 510 K N 0.445 120.722 120.400 -0.206 0.000 2.063 510 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 510 K C 1.875 178.436 176.600 -0.065 0.000 1.048 510 K CA 2.476 58.637 56.287 -0.210 0.000 0.928 510 K CB -0.758 31.466 32.500 -0.459 0.000 0.713 510 K HN 0.594 nan 8.250 nan 0.000 0.442 511 T N -0.588 114.000 114.554 0.057 0.000 2.915 511 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 511 T C 1.649 176.468 174.700 0.199 0.000 1.071 511 T CA 0.905 63.132 62.100 0.212 0.000 1.132 511 T CB -0.141 68.989 68.868 0.436 0.000 0.878 511 T HN 0.120 nan 8.240 nan 0.000 0.479 512 L N 0.266 121.551 121.223 0.103 0.000 2.341 512 L HA 0.285 4.625 4.340 -0.000 0.000 0.214 512 L C 2.118 179.006 176.870 0.030 0.000 1.115 512 L CA 0.777 55.678 54.840 0.102 0.000 0.820 512 L CB -0.627 41.455 42.059 0.039 0.000 0.944 512 L HN 0.179 nan 8.230 nan 0.000 0.452 513 I N 0.177 120.712 120.570 -0.058 0.000 2.127 513 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 513 I C 2.523 178.534 176.117 -0.176 0.000 1.075 513 I CA 1.883 63.087 61.300 -0.161 0.000 1.334 513 I CB -1.139 36.776 38.000 -0.142 0.000 1.040 513 I HN 0.553 nan 8.210 nan 0.000 0.405 514 Q N -0.037 119.668 119.800 -0.157 0.000 2.135 514 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 514 Q C 1.994 177.841 176.000 -0.255 0.000 0.981 514 Q CA 1.646 57.307 55.803 -0.236 0.000 0.856 514 Q CB -0.607 27.926 28.738 -0.342 0.000 0.902 514 Q HN 0.563 nan 8.270 nan 0.000 0.425 515 H N -0.092 118.928 119.070 -0.083 0.000 2.428 515 H HA 0.005 4.561 4.556 -0.000 0.000 0.296 515 H C 1.966 177.301 175.328 0.012 0.000 1.062 515 H CA 0.912 56.942 56.048 -0.030 0.000 1.350 515 H CB 0.284 30.040 29.762 -0.011 0.000 1.403 515 H HN 0.214 nan 8.280 nan 0.000 0.533 516 L N 0.760 122.003 121.223 0.033 0.000 2.046 516 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 516 L C 2.522 179.437 176.870 0.074 0.000 1.077 516 L CA 1.165 55.993 54.840 -0.019 0.000 0.747 516 L CB -0.860 41.000 42.059 -0.331 0.000 0.896 516 L HN 0.197 nan 8.230 nan 0.000 0.432 517 I N -1.258 119.304 120.570 -0.014 0.000 2.202 517 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 517 I C 2.595 178.750 176.117 0.063 0.000 1.091 517 I CA 0.844 62.178 61.300 0.057 0.000 1.368 517 I CB -0.346 37.655 38.000 0.002 0.000 1.058 517 I HN 0.210 nan 8.210 nan 0.000 0.410 518 R N -0.136 120.381 120.500 0.029 0.000 2.113 518 R HA -0.279 4.061 4.340 -0.000 0.000 0.244 518 R C 2.142 178.496 176.300 0.091 0.000 1.142 518 R CA 2.404 58.524 56.100 0.034 0.000 0.953 518 R CB -0.801 29.517 30.300 0.029 0.000 0.860 518 R HN 0.491 nan 8.270 nan 0.000 0.438 519 W N 0.999 122.283 121.300 -0.027 0.000 2.358 519 W HA -0.180 4.480 4.660 0.000 0.000 0.303 519 W C 1.974 178.448 176.519 -0.075 0.000 1.208 519 W CA 1.159 58.485 57.345 -0.031 0.000 1.274 519 W CB -0.160 29.291 29.460 -0.015 0.000 1.138 519 W HN -0.223 nan 8.180 nan 0.000 0.515 520 V N 1.165 121.187 119.914 0.180 0.000 2.295 520 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 520 V C 2.138 178.190 176.094 -0.070 0.000 1.049 520 V CA 2.152 64.465 62.300 0.021 0.000 1.024 520 V CB -0.888 31.012 31.823 0.129 0.000 0.648 520 V HN 0.194 nan 8.190 nan 0.000 0.447 521 I N -0.076 120.470 120.570 -0.040 0.000 2.163 521 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 521 I C 2.609 178.653 176.117 -0.123 0.000 1.085 521 I CA 1.759 63.026 61.300 -0.056 0.000 1.347 521 I CB -0.524 37.452 38.000 -0.042 0.000 1.044 521 I HN 0.219 nan 8.210 nan 0.000 0.408 522 S N 0.695 116.288 115.700 -0.178 0.000 2.370 522 S HA -0.213 4.257 4.470 -0.000 0.000 0.226 522 S C 2.274 176.677 174.600 -0.327 0.000 1.033 522 S CA 1.414 59.475 58.200 -0.231 0.000 1.011 522 S CB -0.482 62.571 63.200 -0.245 0.000 0.852 522 S HN 0.557 nan 8.310 nan 0.000 0.457 523 A N 0.562 123.065 122.820 -0.529 0.000 1.940 523 A HA 0.215 4.535 4.320 -0.000 0.000 0.219 523 A C 2.065 179.470 177.584 -0.298 0.000 1.176 523 A CA 1.756 53.466 52.037 -0.545 0.000 0.631 523 A CB -1.267 17.229 19.000 -0.840 0.000 0.814 523 A HN 1.153 nan 8.150 nan 0.000 0.446 524 G N -1.364 107.309 108.800 -0.212 0.000 2.162 524 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 524 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 524 G C 0.611 175.447 174.900 -0.106 0.000 0.976 524 G CA 0.760 45.789 45.100 -0.118 0.000 0.655 524 G HN 0.542 nan 8.290 nan 0.000 0.533 525 E N -0.667 119.425 120.200 -0.180 0.000 2.268 525 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 525 E C 1.823 178.229 176.600 -0.325 0.000 0.995 525 E CA 0.973 57.204 56.400 -0.282 0.000 0.836 525 E CB -0.149 29.293 29.700 -0.431 0.000 0.763 525 E HN 0.648 nan 8.360 nan 0.000 0.491 526 F N 0.105 120.026 119.950 -0.049 0.000 2.530 526 F HA 0.247 4.774 4.527 -0.000 0.000 0.292 526 F C 1.476 177.262 175.800 -0.024 0.000 1.109 526 F CA 0.834 58.822 58.000 -0.019 0.000 1.450 526 F CB 0.483 39.476 39.000 -0.011 0.000 1.114 526 F HN 0.018 nan 8.300 nan 0.000 0.560 527 G N 0.463 109.334 108.800 0.119 0.000 2.423 527 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.684 527 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.684 527 G C 0.525 175.446 174.900 0.035 0.000 1.309 527 G CA -0.230 44.900 45.100 0.050 0.000 0.950 527 G HN 0.048 nan 8.290 nan 0.000 0.587 528 E N 0.689 120.895 120.200 0.010 0.000 2.068 528 E HA -0.284 4.066 4.350 -0.000 0.000 0.207 528 E C 2.001 178.599 176.600 -0.003 0.000 1.032 528 E CA 2.285 58.683 56.400 -0.002 0.000 0.839 528 E CB -0.602 29.093 29.700 -0.008 0.000 0.758 528 E HN 0.680 nan 8.360 nan 0.000 0.457 529 K N 0.762 121.162 120.400 0.001 0.000 2.031 529 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 529 K C 2.643 179.235 176.600 -0.013 0.000 1.049 529 K CA 1.220 57.501 56.287 -0.010 0.000 0.939 529 K CB -0.781 31.712 32.500 -0.012 0.000 0.717 529 K HN 0.127 nan 8.250 nan 0.000 0.438 530 V N 1.864 121.780 119.914 0.004 0.000 2.287 530 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 530 V C 2.628 178.713 176.094 -0.016 0.000 1.053 530 V CA 2.217 64.511 62.300 -0.010 0.000 1.027 530 V CB -1.449 30.392 31.823 0.030 0.000 0.646 530 V HN 0.477 nan 8.190 nan 0.000 0.447 531 G N -0.478 108.328 108.800 0.009 0.000 2.553 531 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 531 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 531 G C 1.454 176.340 174.900 -0.023 0.000 1.195 531 G CA 1.267 46.363 45.100 -0.006 0.000 0.779 531 G HN 0.570 nan 8.290 nan 0.000 0.577 532 E N -0.367 119.818 120.200 -0.024 0.000 2.070 532 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 532 E C 2.796 179.374 176.600 -0.036 0.000 1.004 532 E CA 1.293 57.675 56.400 -0.030 0.000 0.805 532 E CB -0.186 29.498 29.700 -0.028 0.000 0.744 532 E HN 0.322 nan 8.360 nan 0.000 0.451 533 V N 1.292 121.182 119.914 -0.041 0.000 2.358 533 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 533 V C 2.302 178.367 176.094 -0.048 0.000 1.047 533 V CA 1.380 63.650 62.300 -0.050 0.000 1.035 533 V CB -0.438 31.348 31.823 -0.062 0.000 0.658 533 V HN 0.257 nan 8.190 nan 0.000 0.452 534 L N -0.647 120.548 121.223 -0.047 0.000 2.017 534 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 534 L C 2.765 179.611 176.870 -0.040 0.000 1.073 534 L CA 1.388 56.203 54.840 -0.042 0.000 0.745 534 L CB -0.683 41.354 42.059 -0.037 0.000 0.894 534 L HN 0.295 nan 8.230 nan 0.000 0.432 535 Q N -0.048 119.728 119.800 -0.040 0.000 2.045 535 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 535 Q C 2.492 178.465 176.000 -0.045 0.000 0.991 535 Q CA 2.321 58.097 55.803 -0.044 0.000 0.851 535 Q CB -0.622 28.091 28.738 -0.040 0.000 0.911 535 Q HN 0.433 nan 8.270 nan 0.000 0.418 536 S N -0.731 114.945 115.700 -0.041 0.000 2.374 536 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 536 S C 2.020 176.596 174.600 -0.039 0.000 1.037 536 S CA 1.639 59.816 58.200 -0.039 0.000 1.024 536 S CB -0.262 62.914 63.200 -0.039 0.000 0.861 536 S HN 0.239 nan 8.310 nan 0.000 0.456 537 V N 1.624 121.514 119.914 -0.040 0.000 2.407 537 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 537 V C 2.491 178.560 176.094 -0.042 0.000 1.055 537 V CA 1.472 63.751 62.300 -0.035 0.000 1.049 537 V CB -0.719 31.085 31.823 -0.031 0.000 0.662 537 V HN 0.395 nan 8.190 nan 0.000 0.455 538 L N 0.221 121.412 121.223 -0.053 0.000 2.046 538 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 538 L C 2.116 178.945 176.870 -0.069 0.000 1.077 538 L CA 1.918 56.714 54.840 -0.073 0.000 0.747 538 L CB -1.144 40.861 42.059 -0.091 0.000 0.896 538 L HN 0.371 nan 8.230 nan 0.000 0.432 539 D N -1.683 118.683 120.400 -0.056 0.000 2.162 539 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 539 D C 2.067 178.346 176.300 -0.035 0.000 0.967 539 D CA 1.546 55.517 54.000 -0.049 0.000 0.840 539 D CB -0.303 40.471 40.800 -0.043 0.000 0.972 539 D HN 0.307 nan 8.370 nan 0.000 0.482 540 T N 0.671 115.207 114.554 -0.029 0.000 2.867 540 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 540 T C 0.982 175.674 174.700 -0.013 0.000 1.057 540 T CA 0.796 62.885 62.100 -0.018 0.000 1.136 540 T CB 0.192 69.050 68.868 -0.015 0.000 0.874 540 T HN 0.122 nan 8.240 nan 0.000 0.466 559 A N 0.277 123.003 122.820 -0.157 0.000 2.250 559 A HA 0.341 4.661 4.320 -0.000 0.000 0.208 559 A C 1.592 179.106 177.584 -0.116 0.000 1.254 559 A CA 1.228 53.156 52.037 -0.181 0.000 0.858 559 A CB -0.207 18.770 19.000 -0.039 0.000 0.820 559 A HN 0.072 nan 8.150 nan 0.000 0.484 560 K N -1.084 119.221 120.400 -0.158 0.000 2.413 560 K HA 0.172 4.492 4.320 -0.000 0.000 0.204 560 K C 1.047 177.550 176.600 -0.161 0.000 1.041 560 K CA 0.680 56.964 56.287 -0.005 0.000 1.082 560 K CB 0.575 33.130 32.500 0.092 0.000 0.871 560 K HN 0.369 nan 8.250 nan 0.000 0.535 561 V N -3.451 116.128 119.914 -0.559 0.000 3.621 561 V HA 0.503 4.623 4.120 -0.000 0.000 0.285 561 V C 0.784 176.382 176.094 -0.827 0.000 1.346 561 V CA 0.149 62.088 62.300 -0.602 0.000 1.104 561 V CB -0.516 30.794 31.823 -0.855 0.000 0.913 561 V HN 0.197 nan 8.190 nan 0.000 0.432 562 G N 1.132 109.143 108.800 -1.315 0.000 2.712 562 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.683 562 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.683 562 G C -2.934 171.148 174.900 -1.364 0.000 1.320 562 G CA -0.460 43.323 45.100 -2.195 0.000 0.847 562 G HN 0.449 nan 8.290 nan 0.000 0.553 563 P HA 0.313 nan 4.420 nan 0.000 0.267 563 P C 0.719 177.670 177.300 -0.581 0.000 1.209 563 P CA -0.069 62.637 63.100 -0.657 0.000 0.763 563 P CB 0.169 31.547 31.700 -0.536 0.000 0.816 564 F N 2.535 122.345 119.950 -0.233 0.000 2.250 564 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 564 F C 2.518 178.294 175.800 -0.039 0.000 1.077 564 F CA 1.862 59.788 58.000 -0.122 0.000 1.348 564 F CB -1.167 37.803 39.000 -0.050 0.000 1.040 564 F HN 0.354 nan 8.300 nan 0.000 0.509 565 A N -0.544 122.351 122.820 0.125 0.000 1.972 565 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 565 A C 2.074 179.520 177.584 -0.230 0.000 1.169 565 A CA 1.380 53.490 52.037 0.121 0.000 0.635 565 A CB -0.713 18.358 19.000 0.117 0.000 0.810 565 A HN 0.271 nan 8.150 nan 0.000 0.446 566 L N -0.702 120.220 121.223 -0.502 0.000 2.162 566 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 566 L C 2.465 179.189 176.870 -0.244 0.000 1.086 566 L CA 1.436 55.951 54.840 -0.541 0.000 0.778 566 L CB -0.678 40.932 42.059 -0.748 0.000 0.928 566 L HN 0.367 nan 8.230 nan 0.000 0.446 567 Q N -0.737 118.941 119.800 -0.204 0.000 2.245 567 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 567 Q C 1.560 177.544 176.000 -0.028 0.000 0.955 567 Q CA 0.853 56.588 55.803 -0.113 0.000 0.870 567 Q CB -0.129 28.596 28.738 -0.022 0.000 0.945 567 Q HN 0.441 nan 8.270 nan 0.000 0.461 568 D N 0.248 120.724 120.400 0.127 0.000 2.178 568 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 568 D C 1.532 178.020 176.300 0.314 0.000 0.974 568 D CA 0.461 54.627 54.000 0.277 0.000 0.841 568 D CB -0.321 40.700 40.800 0.367 0.000 0.953 568 D HN 0.137 nan 8.370 nan 0.000 0.478 569 F N 1.300 121.282 119.950 0.055 0.000 2.102 569 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 569 F C 2.435 178.191 175.800 -0.073 0.000 1.105 569 F CA 1.276 59.283 58.000 0.012 0.000 1.239 569 F CB -0.022 38.975 39.000 -0.005 0.000 0.991 569 F HN -0.161 nan 8.300 nan 0.000 0.474 570 S N 0.518 116.183 115.700 -0.058 0.000 2.368 570 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 570 S C 1.843 176.022 174.600 -0.702 0.000 1.030 570 S CA 1.214 59.126 58.200 -0.480 0.000 0.999 570 S CB -0.683 61.897 63.200 -1.033 0.000 0.844 570 S HN 0.366 nan 8.310 nan 0.000 0.459 571 L N 1.038 121.890 121.223 -0.619 0.000 2.013 571 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 571 L C 1.904 178.673 176.870 -0.167 0.000 1.073 571 L CA 1.812 56.481 54.840 -0.285 0.000 0.753 571 L CB -0.895 41.191 42.059 0.044 0.000 0.890 571 L HN 0.319 nan 8.230 nan 0.000 0.432 572 F N -0.336 119.487 119.950 -0.211 0.000 2.134 572 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 572 F C 2.457 178.012 175.800 -0.408 0.000 1.097 572 F CA 1.681 59.430 58.000 -0.419 0.000 1.264 572 F CB -0.116 38.449 39.000 -0.725 0.000 1.001 572 F HN 0.230 nan 8.300 nan 0.000 0.479 573 Q N -0.234 119.478 119.800 -0.147 0.000 2.119 573 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 573 Q C 2.530 178.396 176.000 -0.224 0.000 0.972 573 Q CA 1.484 57.227 55.803 -0.100 0.000 0.847 573 Q CB -1.139 27.693 28.738 0.157 0.000 0.903 573 Q HN 0.374 nan 8.270 nan 0.000 0.433 574 V N 0.829 120.604 119.914 -0.231 0.000 2.302 574 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 574 V C 2.263 178.164 176.094 -0.320 0.000 1.036 574 V CA 1.133 63.314 62.300 -0.199 0.000 1.020 574 V CB -0.566 31.074 31.823 -0.305 0.000 0.657 574 V HN 0.190 nan 8.190 nan 0.000 0.453 575 L N 0.113 121.050 121.223 -0.478 0.000 2.017 575 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 575 L C 2.513 179.112 176.870 -0.453 0.000 1.073 575 L CA 2.146 56.715 54.840 -0.451 0.000 0.745 575 L CB -0.679 41.138 42.059 -0.403 0.000 0.894 575 L HN 0.216 nan 8.230 nan 0.000 0.432 576 R N -2.002 118.027 120.500 -0.785 0.000 2.062 576 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 576 R C 1.648 177.403 176.300 -0.909 0.000 1.125 576 R CA 1.826 57.299 56.100 -1.046 0.000 0.966 576 R CB -0.317 28.883 30.300 -1.832 0.000 0.861 576 R HN 0.457 nan 8.270 nan 0.000 0.433 577 Y N -1.995 117.999 120.300 -0.510 0.000 2.444 577 Y HA 0.387 4.937 4.550 -0.000 0.000 0.252 577 Y C 1.308 177.039 175.900 -0.281 0.000 1.091 577 Y CA -0.023 57.740 58.100 -0.563 0.000 1.276 577 Y CB 0.406 38.021 38.460 -1.408 0.000 1.170 577 Y HN 0.246 nan 8.280 nan 0.000 0.517 578 G N 0.666 109.451 108.800 -0.026 0.000 2.203 578 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 578 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 578 G C -0.112 175.005 174.900 0.363 0.000 1.012 578 G CA -0.164 45.069 45.100 0.221 0.000 0.749 578 G HN 0.097 nan 8.290 nan 0.000 0.512 579 F N 1.036 121.136 119.950 0.251 0.000 2.629 579 F HA 0.190 4.717 4.527 -0.000 0.000 0.369 579 F C 1.734 177.697 175.800 0.272 0.000 1.125 579 F CA -0.435 57.695 58.000 0.217 0.000 1.330 579 F CB 0.344 39.457 39.000 0.187 0.000 1.071 579 F HN 0.536 nan 8.300 nan 0.000 0.595 580 R N 4.537 125.286 120.500 0.414 0.000 2.738 580 R HA 0.140 4.480 4.340 -0.000 0.000 0.268 580 R C -2.215 174.309 176.300 0.374 0.000 1.062 580 R CA -1.043 55.267 56.100 0.350 0.000 1.158 580 R CB -0.302 30.115 30.300 0.195 0.000 1.046 580 R HN 0.257 nan 8.270 nan 0.000 0.493 581 P HA -0.219 nan 4.420 nan 0.000 0.216 581 P C 1.205 178.706 177.300 0.334 0.000 1.150 581 P CA 2.083 65.408 63.100 0.375 0.000 0.843 581 P CB 0.039 31.964 31.700 0.375 0.000 0.787 582 S N -1.019 114.871 115.700 0.317 0.000 2.453 582 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 582 S C 1.968 176.836 174.600 0.446 0.000 1.005 582 S CA 1.031 59.483 58.200 0.419 0.000 0.949 582 S CB -0.677 62.745 63.200 0.370 0.000 0.774 582 S HN -0.014 nan 8.310 nan 0.000 0.510 583 K N 1.966 122.556 120.400 0.316 0.000 2.057 583 K HA 0.163 4.483 4.320 -0.000 0.000 0.206 583 K C 1.758 178.507 176.600 0.248 0.000 1.050 583 K CA 1.469 57.869 56.287 0.188 0.000 0.935 583 K CB -0.734 31.748 32.500 -0.030 0.000 0.715 583 K HN 0.529 nan 8.250 nan 0.000 0.439 584 I N 0.444 121.222 120.570 0.347 0.000 2.286 584 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 584 I C 2.285 178.641 176.117 0.398 0.000 1.104 584 I CA 0.979 62.529 61.300 0.418 0.000 1.397 584 I CB -0.414 37.809 38.000 0.370 0.000 1.072 584 I HN 0.227 nan 8.210 nan 0.000 0.417 585 A N 0.919 123.966 122.820 0.378 0.000 1.883 585 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 585 A C 2.252 180.135 177.584 0.498 0.000 1.186 585 A CA 1.627 53.911 52.037 0.410 0.000 0.624 585 A CB -1.050 18.219 19.000 0.447 0.000 0.822 585 A HN 0.426 nan 8.150 nan 0.000 0.444 586 F N 0.533 120.587 119.950 0.173 0.000 2.069 586 F HA -0.176 4.351 4.527 0.000 0.000 0.298 586 F C 2.005 177.899 175.800 0.157 0.000 1.113 586 F CA 1.897 59.786 58.000 -0.186 0.000 1.214 586 F CB -0.345 38.067 39.000 -0.980 0.000 0.978 586 F HN 0.150 nan 8.300 nan 0.000 0.474 587 L N -0.393 121.011 121.223 0.301 0.000 2.017 587 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 587 L C 2.788 179.771 176.870 0.189 0.000 1.073 587 L CA 1.255 56.300 54.840 0.341 0.000 0.745 587 L CB -1.269 41.142 42.059 0.586 0.000 0.894 587 L HN 0.231 nan 8.230 nan 0.000 0.432 588 A N -0.664 122.154 122.820 -0.003 0.000 1.877 588 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 588 A C 1.994 179.508 177.584 -0.117 0.000 1.186 588 A CA 1.618 53.311 52.037 -0.573 0.000 0.620 588 A CB -1.121 17.586 19.000 -0.488 0.000 0.822 588 A HN 0.596 nan 8.150 nan 0.000 0.443 589 W N 0.268 121.512 121.300 -0.094 0.000 2.333 589 W HA -0.266 4.394 4.660 -0.000 0.000 0.316 589 W C 2.199 178.611 176.519 -0.177 0.000 1.215 589 W CA 2.351 59.656 57.345 -0.066 0.000 1.278 589 W CB -0.732 28.737 29.460 0.015 0.000 1.154 589 W HN 0.581 nan 8.180 nan 0.000 0.486 590 H N -0.819 118.164 119.070 -0.145 0.000 2.353 590 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 590 H C 2.271 177.353 175.328 -0.410 0.000 1.103 590 H CA 2.492 58.310 56.048 -0.383 0.000 1.293 590 H CB -0.512 29.018 29.762 -0.386 0.000 1.372 590 H HN 0.229 nan 8.280 nan 0.000 0.501 591 A N -0.507 122.170 122.820 -0.239 0.000 1.897 591 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 591 A C 1.442 178.650 177.584 -0.625 0.000 1.181 591 A CA 1.248 53.030 52.037 -0.425 0.000 0.620 591 A CB -0.564 18.199 19.000 -0.394 0.000 0.821 591 A HN 0.550 nan 8.150 nan 0.000 0.443 592 W N -0.432 120.604 121.300 -0.439 0.000 3.103 592 W HA 0.187 4.847 4.660 -0.000 0.000 0.325 592 W C 1.869 178.213 176.519 -0.292 0.000 1.170 592 W CA 0.002 57.150 57.345 -0.329 0.000 1.712 592 W CB 0.180 29.532 29.460 -0.180 0.000 1.068 592 W HN 0.460 nan 8.180 nan 0.000 0.592 593 N N 0.831 119.333 118.700 -0.330 0.000 2.166 593 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 593 N C -0.439 174.900 175.510 -0.285 0.000 1.019 593 N CA 1.279 54.038 53.050 -0.485 0.000 0.856 593 N CB 0.005 37.686 38.487 -1.344 0.000 0.993 593 N HN -0.042 nan 8.380 nan 0.000 0.426 594 D N -0.843 119.386 120.400 -0.285 0.000 2.549 594 D HA 0.404 5.044 4.640 -0.000 0.000 0.251 594 D C 0.214 176.464 176.300 -0.083 0.000 1.153 594 D CA -0.446 53.456 54.000 -0.163 0.000 0.861 594 D CB 1.792 42.481 40.800 -0.184 0.000 1.207 594 D HN 0.197 nan 8.370 nan 0.000 0.543 595 A N 3.506 126.349 122.820 0.037 0.000 2.019 595 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 595 A C 1.641 179.370 177.584 0.242 0.000 1.164 595 A CA 1.143 53.319 52.037 0.233 0.000 0.644 595 A CB -0.126 19.004 19.000 0.217 0.000 0.805 595 A HN 0.537 nan 8.150 nan 0.000 0.449 596 E N -0.968 119.281 120.200 0.081 0.000 2.489 596 E HA 0.111 4.461 4.350 -0.000 0.000 0.193 596 E C 0.751 177.363 176.600 0.021 0.000 1.057 596 E CA 0.078 56.511 56.400 0.055 0.000 0.866 596 E CB 0.028 29.734 29.700 0.010 0.000 0.916 596 E HN 0.543 nan 8.360 nan 0.000 0.500 597 R N -0.892 119.590 120.500 -0.030 0.000 2.637 597 R HA 0.540 4.880 4.340 -0.000 0.000 0.291 597 R C 0.090 176.294 176.300 -0.162 0.000 0.963 597 R CA 0.241 56.283 56.100 -0.096 0.000 0.901 597 R CB 1.053 31.268 30.300 -0.143 0.000 1.160 597 R HN 0.149 nan 8.270 nan 0.000 0.457 598 G N 2.131 110.837 108.800 -0.157 0.000 2.750 598 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.228 598 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.228 598 G C -1.205 173.581 174.900 -0.190 0.000 1.367 598 G CA -0.557 44.414 45.100 -0.215 0.000 0.871 598 G HN 0.673 nan 8.290 nan 0.000 0.560 599 N N -0.729 117.823 118.700 -0.246 0.000 2.430 599 N HA 0.654 5.394 4.740 -0.000 0.000 0.298 599 N C -0.974 174.357 175.510 -0.299 0.000 1.130 599 N CA -0.196 52.769 53.050 -0.143 0.000 0.894 599 N CB 1.404 39.843 38.487 -0.080 0.000 1.209 599 N HN 0.537 nan 8.380 nan 0.000 0.503 600 W N 0.492 121.718 121.300 -0.123 0.000 2.689 600 W HA 0.447 5.107 4.660 0.000 0.000 0.340 600 W C -1.886 174.598 176.519 -0.058 0.000 1.060 600 W CA -1.343 55.903 57.345 -0.165 0.000 1.218 600 W CB 0.454 29.800 29.460 -0.189 0.000 1.410 600 W HN 0.361 nan 8.180 nan 0.000 0.528 601 P HA 0.114 nan 4.420 nan 0.000 0.271 601 P C -2.358 175.188 177.300 0.409 0.000 1.244 601 P CA -0.860 62.371 63.100 0.219 0.000 0.793 601 P CB -0.315 31.458 31.700 0.121 0.000 0.984 602 P HA 0.099 nan 4.420 nan 0.000 0.267 602 P C 0.732 178.217 177.300 0.309 0.000 1.200 602 P CA 1.157 64.412 63.100 0.258 0.000 0.772 602 P CB -0.020 31.786 31.700 0.177 0.000 0.855 603 G N 0.790 109.682 108.800 0.153 0.000 2.130 603 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 603 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 603 G C -0.311 174.403 174.900 -0.310 0.000 0.999 603 G CA -0.625 44.431 45.100 -0.074 0.000 0.686 603 G HN 0.382 nan 8.290 nan 0.000 0.515 604 F N 2.173 122.136 119.950 0.021 0.000 2.307 604 F HA 0.405 4.932 4.527 -0.000 0.000 0.369 604 F C -1.544 174.173 175.800 -0.138 0.000 1.076 604 F CA -2.276 55.693 58.000 -0.053 0.000 1.149 604 F CB 1.529 40.499 39.000 -0.050 0.000 1.410 604 F HN -0.109 nan 8.300 nan 0.000 0.481 605 P HA -0.039 nan 4.420 nan 0.000 0.267 605 P C 0.802 178.045 177.300 -0.094 0.000 1.200 605 P CA -0.121 62.948 63.100 -0.051 0.000 0.772 605 P CB 1.104 32.771 31.700 -0.055 0.000 0.855 606 K N 2.668 123.003 120.400 -0.108 0.000 2.107 606 K HA -0.251 4.069 4.320 -0.000 0.000 0.211 606 K C 2.116 178.630 176.600 -0.144 0.000 1.049 606 K CA 2.448 58.646 56.287 -0.149 0.000 0.927 606 K CB -1.063 31.378 32.500 -0.099 0.000 0.714 606 K HN 0.496 nan 8.250 nan 0.000 0.452 607 S N 0.624 116.270 115.700 -0.090 0.000 2.359 607 S HA -0.176 4.294 4.470 -0.000 0.000 0.222 607 S C 1.079 175.642 174.600 -0.061 0.000 1.038 607 S CA 1.314 59.476 58.200 -0.063 0.000 1.051 607 S CB -0.491 62.685 63.200 -0.039 0.000 0.944 607 S HN 0.374 nan 8.310 nan 0.000 0.433 608 E N 1.484 121.655 120.200 -0.048 0.000 2.902 608 E HA 0.053 4.403 4.350 -0.000 0.000 0.231 608 E C -0.298 176.287 176.600 -0.026 0.000 1.422 608 E CA 0.312 56.720 56.400 0.013 0.000 1.418 608 E CB -0.434 29.287 29.700 0.035 0.000 1.323 608 E HN 0.440 nan 8.360 nan 0.000 0.428 609 R N 1.349 121.746 120.500 -0.171 0.000 2.639 609 R HA 0.197 4.537 4.340 -0.000 0.000 0.273 609 R C -2.387 173.883 176.300 -0.051 0.000 1.732 609 R CA -1.274 54.539 56.100 -0.478 0.000 1.586 609 R CB 1.208 30.910 30.300 -0.996 0.000 1.263 609 R HN 0.046 nan 8.270 nan 0.000 0.615 610 P HA 0.151 nan 4.420 nan 0.000 0.277 610 P C -0.612 176.759 177.300 0.118 0.000 1.240 610 P CA -0.343 62.799 63.100 0.070 0.000 0.798 610 P CB 1.521 33.179 31.700 -0.071 0.000 0.979 611 S N 0.799 116.426 115.700 -0.122 0.000 2.621 611 S HA 0.687 5.157 4.470 -0.000 0.000 0.302 611 S C -1.124 173.251 174.600 -0.375 0.000 1.093 611 S CA -0.595 57.551 58.200 -0.089 0.000 1.017 611 S CB 0.798 63.988 63.200 -0.016 0.000 1.077 611 S HN 0.344 nan 8.310 nan 0.000 0.517 612 Y N 0.745 121.134 120.300 0.149 0.000 2.425 612 Y HA 0.561 5.111 4.550 -0.000 0.000 0.344 612 Y C 0.776 176.749 175.900 0.122 0.000 0.969 612 Y CA -0.778 57.384 58.100 0.103 0.000 1.052 612 Y CB 2.062 40.541 38.460 0.032 0.000 1.215 612 Y HN 0.962 nan 8.280 nan 0.000 0.451 613 S N 1.740 117.620 115.700 0.301 0.000 2.624 613 S HA 0.168 4.638 4.470 -0.000 0.000 0.263 613 S C 0.924 175.731 174.600 0.345 0.000 1.287 613 S CA -0.619 57.760 58.200 0.297 0.000 0.990 613 S CB 0.825 64.144 63.200 0.198 0.000 0.950 613 S HN 0.720 nan 8.310 nan 0.000 0.561 614 L N 1.547 122.983 121.223 0.356 0.000 2.042 614 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 614 L C 2.707 179.614 176.870 0.061 0.000 1.076 614 L CA 2.402 57.348 54.840 0.177 0.000 0.749 614 L CB -1.770 40.236 42.059 -0.088 0.000 0.893 614 L HN 0.955 nan 8.230 nan 0.000 0.432 615 A N -0.939 121.906 122.820 0.041 0.000 1.892 615 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 615 A C 2.222 179.801 177.584 -0.008 0.000 1.188 615 A CA 2.069 54.100 52.037 -0.009 0.000 0.631 615 A CB -0.690 18.297 19.000 -0.021 0.000 0.822 615 A HN 0.592 nan 8.150 nan 0.000 0.447 616 E N -0.556 119.679 120.200 0.058 0.000 2.031 616 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 616 E C 1.910 178.551 176.600 0.069 0.000 0.994 616 E CA 1.326 57.769 56.400 0.072 0.000 0.800 616 E CB -0.277 29.592 29.700 0.282 0.000 0.752 616 E HN 0.686 nan 8.360 nan 0.000 0.447 617 I N 0.729 121.365 120.570 0.111 0.000 2.208 617 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 617 I C 2.706 178.859 176.117 0.060 0.000 1.097 617 I CA 1.146 62.491 61.300 0.074 0.000 1.363 617 I CB -0.218 37.852 38.000 0.116 0.000 1.051 617 I HN 0.065 nan 8.210 nan 0.000 0.413 618 R N 0.143 120.661 120.500 0.030 0.000 2.066 618 R HA -0.254 4.086 4.340 -0.000 0.000 0.232 618 R C 2.516 178.805 176.300 -0.018 0.000 1.131 618 R CA 1.991 58.094 56.100 0.005 0.000 0.955 618 R CB -0.454 29.818 30.300 -0.046 0.000 0.851 618 R HN 0.382 nan 8.270 nan 0.000 0.432 619 H N -0.564 118.384 119.070 -0.204 0.000 2.265 619 H HA -0.206 4.350 4.556 -0.000 0.000 0.293 619 H C 1.620 176.757 175.328 -0.319 0.000 1.089 619 H CA 2.792 58.621 56.048 -0.364 0.000 1.244 619 H CB -0.652 28.731 29.762 -0.632 0.000 1.355 619 H HN 0.354 nan 8.280 nan 0.000 0.485 620 W N 0.121 121.314 121.300 -0.179 0.000 2.425 620 W HA -0.035 4.625 4.660 -0.000 0.000 0.277 620 W C 2.570 179.021 176.519 -0.112 0.000 1.231 620 W CA 0.191 57.389 57.345 -0.244 0.000 1.248 620 W CB -0.076 29.252 29.460 -0.219 0.000 1.117 620 W HN 0.234 nan 8.180 nan 0.000 0.568 621 L N 0.546 121.857 121.223 0.146 0.000 2.093 621 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 621 L C 2.360 179.349 176.870 0.198 0.000 1.085 621 L CA 1.650 56.598 54.840 0.179 0.000 0.755 621 L CB -0.490 41.660 42.059 0.151 0.000 0.904 621 L HN 0.121 nan 8.230 nan 0.000 0.435 622 Q N -0.290 119.565 119.800 0.091 0.000 2.096 622 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 622 Q C 2.143 178.188 176.000 0.075 0.000 0.982 622 Q CA 1.708 57.558 55.803 0.079 0.000 0.850 622 Q CB -0.084 28.651 28.738 -0.004 0.000 0.901 622 Q HN 0.542 nan 8.270 nan 0.000 0.422 623 I N -0.398 120.185 120.570 0.021 0.000 2.353 623 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 623 I C 1.995 178.175 176.117 0.105 0.000 1.119 623 I CA 0.733 62.056 61.300 0.040 0.000 1.417 623 I CB -0.139 37.880 38.000 0.030 0.000 1.078 623 I HN 0.149 nan 8.210 nan 0.000 0.421 624 F N 1.522 121.495 119.950 0.039 0.000 2.075 624 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 624 F C 2.517 178.361 175.800 0.073 0.000 1.113 624 F CA 2.218 60.237 58.000 0.032 0.000 1.218 624 F CB -0.482 38.514 39.000 -0.006 0.000 0.984 624 F HN -0.025 nan 8.300 nan 0.000 0.472 625 V N -0.609 119.458 119.914 0.255 0.000 2.287 625 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 625 V C 2.250 178.429 176.094 0.142 0.000 1.053 625 V CA 2.029 64.477 62.300 0.247 0.000 1.027 625 V CB -1.549 30.536 31.823 0.437 0.000 0.646 625 V HN 0.515 nan 8.190 nan 0.000 0.447 626 Q N 1.115 120.997 119.800 0.137 0.000 2.030 626 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 626 Q C 2.366 178.415 176.000 0.082 0.000 0.986 626 Q CA 2.424 58.299 55.803 0.120 0.000 0.843 626 Q CB -0.492 28.306 28.738 0.100 0.000 0.904 626 Q HN 0.691 nan 8.270 nan 0.000 0.420 627 R N -1.205 119.305 120.500 0.016 0.000 2.066 627 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 627 R C 2.271 178.550 176.300 -0.035 0.000 1.131 627 R CA 1.301 57.430 56.100 0.047 0.000 0.955 627 R CB -0.502 29.799 30.300 0.002 0.000 0.851 627 R HN 0.331 nan 8.270 nan 0.000 0.432 628 F N 0.146 119.818 119.950 -0.464 0.000 2.098 628 F HA -0.165 4.362 4.527 -0.000 0.000 0.294 628 F C 1.661 177.214 175.800 -0.412 0.000 1.107 628 F CA 1.367 58.974 58.000 -0.654 0.000 1.234 628 F CB -0.190 37.978 39.000 -1.386 0.000 1.002 628 F HN -0.093 nan 8.300 nan 0.000 0.472 629 Y N -1.202 118.906 120.300 -0.320 0.000 2.420 629 Y HA -0.001 4.549 4.550 0.000 0.000 0.292 629 Y C 2.748 178.523 175.900 -0.208 0.000 1.119 629 Y CA 1.187 59.068 58.100 -0.364 0.000 1.229 629 Y CB -0.677 37.414 38.460 -0.614 0.000 1.026 629 Y HN 0.161 nan 8.280 nan 0.000 0.554 630 S N -1.428 114.302 115.700 0.050 0.000 2.694 630 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 630 S C 1.753 176.417 174.600 0.107 0.000 1.012 630 S CA 0.010 58.270 58.200 0.099 0.000 0.896 630 S CB -0.746 62.546 63.200 0.153 0.000 0.838 630 S HN 0.296 nan 8.310 nan 0.000 0.604 631 F N 2.926 122.883 119.950 0.013 0.000 2.163 631 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 631 F C 2.223 178.102 175.800 0.133 0.000 1.094 631 F CA 1.950 59.996 58.000 0.077 0.000 1.290 631 F CB -0.231 38.817 39.000 0.081 0.000 1.017 631 F HN 0.377 nan 8.300 nan 0.000 0.483 632 S N -1.122 114.532 115.700 -0.076 0.000 2.517 632 S HA 0.002 4.472 4.470 -0.000 0.000 0.214 632 S C 1.707 176.107 174.600 -0.335 0.000 0.991 632 S CA 0.286 58.343 58.200 -0.238 0.000 0.906 632 S CB -0.113 63.073 63.200 -0.024 0.000 0.789 632 S HN 0.411 nan 8.310 nan 0.000 0.513 633 Q N 2.540 122.206 119.800 -0.224 0.000 2.096 633 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 633 Q C 1.717 177.604 176.000 -0.189 0.000 0.982 633 Q CA 2.171 57.869 55.803 -0.175 0.000 0.850 633 Q CB -1.051 27.624 28.738 -0.106 0.000 0.901 633 Q HN 0.740 nan 8.270 nan 0.000 0.422 634 F N 0.285 120.047 119.950 -0.312 0.000 2.154 634 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 634 F C 1.413 176.967 175.800 -0.409 0.000 1.087 634 F CA 1.646 59.425 58.000 -0.368 0.000 1.274 634 F CB -0.437 38.282 39.000 -0.470 0.000 1.009 634 F HN 0.015 nan 8.300 nan 0.000 0.485 635 K N 0.319 119.949 120.400 -1.284 0.000 2.167 635 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 635 K C 2.233 178.674 176.600 -0.264 0.000 1.052 635 K CA 0.995 56.808 56.287 -0.790 0.000 0.956 635 K CB -0.310 31.749 32.500 -0.734 0.000 0.735 635 K HN 0.286 nan 8.250 nan 0.000 0.451 636 R N 0.781 121.136 120.500 -0.241 0.000 2.115 636 R HA -0.042 4.298 4.340 -0.000 0.000 0.230 636 R C 2.490 178.761 176.300 -0.047 0.000 1.111 636 R CA 1.035 57.078 56.100 -0.094 0.000 0.976 636 R CB -0.110 30.156 30.300 -0.056 0.000 0.870 636 R HN 0.067 nan 8.270 nan 0.000 0.445 637 S N -0.222 115.437 115.700 -0.068 0.000 2.399 637 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 637 S C 0.887 175.496 174.600 0.015 0.000 1.022 637 S CA 1.131 59.316 58.200 -0.025 0.000 0.983 637 S CB 0.105 63.288 63.200 -0.029 0.000 0.803 637 S HN 0.398 nan 8.310 nan 0.000 0.480 638 A N 1.316 124.167 122.820 0.053 0.000 3.232 638 A HA 0.579 4.899 4.320 -0.000 0.000 0.312 638 A C -0.572 177.042 177.584 0.050 0.000 1.185 638 A CA -0.473 51.613 52.037 0.082 0.000 1.011 638 A CB -0.129 18.974 19.000 0.171 0.000 1.096 638 A HN 0.384 nan 8.150 nan 0.000 0.543 639 L N 1.734 122.969 121.223 0.020 0.000 2.289 639 L HA 0.565 4.905 4.340 -0.000 0.000 0.285 639 L C -2.214 174.651 176.870 -0.008 0.000 1.049 639 L CA -1.601 53.238 54.840 -0.001 0.000 0.804 639 L CB 0.844 42.898 42.059 -0.008 0.000 1.195 639 L HN 0.245 nan 8.230 nan 0.000 0.428 640 P HA 0.124 nan 4.420 nan 0.000 0.271 640 P C -1.035 176.228 177.300 -0.061 0.000 1.244 640 P CA -0.308 62.781 63.100 -0.019 0.000 0.793 640 P CB 0.343 32.031 31.700 -0.021 0.000 0.984 641 N N -0.434 118.238 118.700 -0.046 0.000 2.482 641 N HA 0.520 5.260 4.740 -0.000 0.000 0.260 641 N C 0.359 175.553 175.510 -0.526 0.000 1.236 641 N CA 0.457 53.448 53.050 -0.099 0.000 0.938 641 N CB 0.308 38.882 38.487 0.146 0.000 1.128 641 N HN 0.637 nan 8.380 nan 0.000 0.448 642 G N 0.447 108.959 108.800 -0.479 0.000 2.442 642 G HA2 0.358 4.318 3.960 -0.000 0.000 0.296 642 G HA3 0.358 4.318 3.960 -0.000 0.000 0.296 642 G C -3.148 171.629 174.900 -0.205 0.000 1.564 642 G CA -0.828 43.865 45.100 -0.678 0.000 0.828 642 G HN 0.376 nan 8.290 nan 0.000 0.571 643 P HA 0.329 nan 4.420 nan 0.000 0.279 643 P C -0.296 176.995 177.300 -0.014 0.000 1.239 643 P CA -0.498 62.607 63.100 0.008 0.000 0.789 643 P CB 1.402 33.137 31.700 0.057 0.000 0.933 644 K N 1.561 121.963 120.400 0.004 0.000 2.382 644 K HA 0.170 4.490 4.320 -0.000 0.000 0.275 644 K C -0.020 176.588 176.600 0.014 0.000 1.009 644 K CA -0.274 56.017 56.287 0.008 0.000 0.970 644 K CB 0.536 33.048 32.500 0.019 0.000 0.934 644 K HN 0.154 nan 8.250 nan 0.000 0.479 645 V N 1.666 121.589 119.914 0.015 0.000 3.058 645 V HA 0.018 4.138 4.120 -0.000 0.000 0.233 645 V C 0.360 176.482 176.094 0.046 0.000 1.255 645 V CA 0.463 62.776 62.300 0.022 0.000 1.267 645 V CB 1.004 32.833 31.823 0.009 0.000 1.049 645 V HN 0.870 nan 8.190 nan 0.000 0.486 646 S N 0.030 115.762 115.700 0.053 0.000 2.525 646 S HA 0.222 4.692 4.470 -0.000 0.000 0.290 646 S C 1.355 175.961 174.600 0.011 0.000 1.152 646 S CA -0.342 57.893 58.200 0.059 0.000 1.072 646 S CB 0.771 64.068 63.200 0.162 0.000 1.027 646 S HN 0.674 nan 8.310 nan 0.000 0.500 647 H N 3.214 122.354 119.070 0.116 0.000 2.489 647 H HA -0.033 4.523 4.556 -0.000 0.000 0.295 647 H C 1.747 177.068 175.328 -0.012 0.000 1.082 647 H CA 1.356 57.438 56.048 0.058 0.000 1.295 647 H CB -0.905 28.899 29.762 0.071 0.000 1.380 647 H HN 0.722 nan 8.280 nan 0.000 0.548 648 G N 0.593 109.116 108.800 -0.462 0.000 2.498 648 G HA2 0.198 4.158 3.960 -0.000 0.000 0.219 648 G HA3 0.198 4.158 3.960 -0.000 0.000 0.219 648 G C 0.742 175.426 174.900 -0.360 0.000 1.119 648 G CA 0.680 45.458 45.100 -0.538 0.000 0.766 648 G HN 0.943 nan 8.290 nan 0.000 0.552 649 G N -2.166 106.562 108.800 -0.120 0.000 2.497 649 G HA2 0.509 4.469 3.960 -0.000 0.000 0.686 649 G HA3 0.509 4.469 3.960 -0.000 0.000 0.686 649 G C -0.480 174.423 174.900 0.005 0.000 1.288 649 G CA -0.301 44.761 45.100 -0.064 0.000 0.899 649 G HN 1.287 nan 8.290 nan 0.000 0.608 650 A N -1.007 121.822 122.820 0.016 0.000 2.443 650 A HA 0.928 5.248 4.320 -0.000 0.000 0.278 650 A C 0.516 178.133 177.584 0.056 0.000 1.252 650 A CA -0.299 51.751 52.037 0.020 0.000 0.816 650 A CB 1.325 20.335 19.000 0.016 0.000 1.369 650 A HN 1.432 nan 8.150 nan 0.000 0.446 651 L N 0.461 121.720 121.223 0.060 0.000 2.959 651 L HA 0.197 4.537 4.340 -0.000 0.000 0.259 651 L C 0.999 177.952 176.870 0.140 0.000 1.185 651 L CA 0.170 55.081 54.840 0.119 0.000 0.998 651 L CB 0.667 42.769 42.059 0.073 0.000 1.337 651 L HN 0.698 nan 8.230 nan 0.000 0.555 652 S N 1.594 117.348 115.700 0.089 0.000 2.552 652 S HA 0.090 4.560 4.470 -0.000 0.000 0.289 652 S C -1.177 173.472 174.600 0.082 0.000 1.304 652 S CA -0.881 57.356 58.200 0.062 0.000 1.063 652 S CB 0.739 63.958 63.200 0.033 0.000 0.848 652 S HN 0.086 nan 8.310 nan 0.000 0.499 653 P HA 0.076 nan 4.420 nan 0.000 0.240 653 P C 0.425 177.727 177.300 0.005 0.000 1.190 653 P CA 0.449 63.562 63.100 0.023 0.000 0.781 653 P CB 0.074 31.776 31.700 0.002 0.000 0.931 654 R N -0.552 119.957 120.500 0.015 0.000 2.310 654 R HA 0.280 4.620 4.340 -0.000 0.000 0.202 654 R C 1.569 177.881 176.300 0.019 0.000 0.933 654 R CA 0.507 56.614 56.100 0.012 0.000 1.054 654 R CB 0.111 30.420 30.300 0.015 0.000 0.985 654 R HN 0.248 nan 8.270 nan 0.000 0.489 655 G N -0.228 108.591 108.800 0.033 0.000 3.009 655 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.193 655 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.193 655 G C 0.141 175.080 174.900 0.065 0.000 1.636 655 G CA -0.208 44.918 45.100 0.043 0.000 0.832 655 G HN -0.047 nan 8.290 nan 0.000 0.795 656 D N -0.907 119.554 120.400 0.103 0.000 2.234 656 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 656 D C -0.161 176.311 176.300 0.286 0.000 0.962 656 D CA 0.574 54.664 54.000 0.150 0.000 0.855 656 D CB 0.718 41.596 40.800 0.130 0.000 0.951 656 D HN 0.210 nan 8.370 nan 0.000 0.500 657 W N 2.005 123.312 121.300 0.013 0.000 2.466 657 W HA 0.325 4.985 4.660 0.000 0.000 0.303 657 W C -0.903 175.618 176.519 0.003 0.000 0.999 657 W CA -0.659 56.701 57.345 0.026 0.000 1.437 657 W CB 0.622 30.113 29.460 0.053 0.000 1.274 657 W HN -0.361 nan 8.180 nan 0.000 0.417 658 R N 4.008 124.200 120.500 -0.513 0.000 2.215 658 R HA 0.659 4.999 4.340 -0.000 0.000 0.336 658 R C -0.299 175.590 176.300 -0.686 0.000 0.996 658 R CA -0.159 55.672 56.100 -0.448 0.000 0.847 658 R CB 1.566 31.717 30.300 -0.248 0.000 1.127 658 R HN 0.362 nan 8.270 nan 0.000 0.465 659 A N 3.942 126.428 122.820 -0.558 0.000 2.594 659 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 659 A C -2.632 174.829 177.584 -0.205 0.000 1.105 659 A CA -1.586 50.184 52.037 -0.446 0.000 0.694 659 A CB 1.346 20.021 19.000 -0.542 0.000 1.291 659 A HN 0.445 nan 8.150 nan 0.000 0.410 660 P HA 0.293 nan 4.420 nan 0.000 0.275 660 P C 0.228 177.499 177.300 -0.050 0.000 1.228 660 P CA -0.051 63.011 63.100 -0.065 0.000 0.786 660 P CB 1.159 32.842 31.700 -0.029 0.000 0.927 661 S N 0.236 115.909 115.700 -0.044 0.000 2.593 661 S HA -0.017 4.453 4.470 -0.000 0.000 0.217 661 S C 0.435 175.010 174.600 -0.041 0.000 0.966 661 S CA 0.309 58.490 58.200 -0.033 0.000 0.914 661 S CB -0.411 62.778 63.200 -0.020 0.000 0.776 661 S HN 0.658 nan 8.310 nan 0.000 0.523 662 D N 0.437 120.819 120.400 -0.030 0.000 2.895 662 D HA 0.261 4.901 4.640 -0.000 0.000 0.350 662 D C -0.238 176.066 176.300 0.007 0.000 1.389 662 D CA -0.171 53.813 54.000 -0.027 0.000 0.812 662 D CB -0.322 40.455 40.800 -0.038 0.000 1.164 662 D HN 0.243 nan 8.370 nan 0.000 0.455 663 M N 1.075 120.694 119.600 0.031 0.000 2.528 663 M HA 0.426 4.906 4.480 -0.000 0.000 0.321 663 M C -0.571 175.792 176.300 0.105 0.000 1.153 663 M CA -0.554 54.790 55.300 0.074 0.000 0.951 663 M CB 2.174 34.831 32.600 0.097 0.000 1.705 663 M HN 0.030 nan 8.290 nan 0.000 0.451 664 S N 2.782 118.561 115.700 0.131 0.000 2.646 664 S HA 0.652 5.122 4.470 -0.000 0.000 0.276 664 S C 0.287 175.046 174.600 0.264 0.000 1.222 664 S CA -0.226 58.071 58.200 0.161 0.000 1.014 664 S CB 1.569 64.846 63.200 0.130 0.000 0.991 664 S HN 0.809 nan 8.310 nan 0.000 0.533 665 A N 2.601 125.592 122.820 0.285 0.000 2.462 665 A HA 0.292 4.612 4.320 -0.000 0.000 0.261 665 A C 1.871 179.740 177.584 0.475 0.000 1.323 665 A CA -0.323 51.993 52.037 0.464 0.000 0.913 665 A CB -0.592 18.600 19.000 0.319 0.000 1.028 665 A HN 0.959 nan 8.150 nan 0.000 0.511 666 R N 0.707 121.379 120.500 0.286 0.000 2.113 666 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 666 R C 1.915 178.288 176.300 0.121 0.000 1.142 666 R CA 2.448 58.650 56.100 0.169 0.000 0.953 666 R CB -0.518 29.838 30.300 0.094 0.000 0.860 666 R HN 0.767 nan 8.270 nan 0.000 0.438 667 I N -2.349 118.224 120.570 0.006 0.000 2.315 667 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 667 I C 1.848 177.839 176.117 -0.210 0.000 1.117 667 I CA 1.138 62.301 61.300 -0.229 0.000 1.404 667 I CB -0.694 36.995 38.000 -0.520 0.000 1.071 667 I HN 0.182 nan 8.210 nan 0.000 0.419 668 W N 1.692 123.006 121.300 0.023 0.000 2.355 668 W HA -0.063 4.597 4.660 0.000 0.000 0.309 668 W C 2.521 179.103 176.519 0.104 0.000 1.206 668 W CA 0.832 58.227 57.345 0.084 0.000 1.284 668 W CB -0.791 28.756 29.460 0.145 0.000 1.145 668 W HN 0.266 nan 8.180 nan 0.000 0.502 669 L N 0.041 121.461 121.223 0.328 0.000 2.131 669 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 669 L C 2.098 179.042 176.870 0.124 0.000 1.092 669 L CA 1.541 56.505 54.840 0.208 0.000 0.759 669 L CB -0.863 41.300 42.059 0.174 0.000 0.903 669 L HN -0.100 nan 8.230 nan 0.000 0.435 670 D N -0.646 119.806 120.400 0.087 0.000 2.183 670 D HA -0.208 4.432 4.640 -0.000 0.000 0.203 670 D C 2.239 178.556 176.300 0.028 0.000 0.969 670 D CA 0.814 54.836 54.000 0.037 0.000 0.842 670 D CB 0.111 40.913 40.800 0.004 0.000 0.957 670 D HN 0.111 nan 8.370 nan 0.000 0.484 671 Q N 0.005 119.825 119.800 0.033 0.000 2.119 671 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 671 Q C 2.323 178.368 176.000 0.074 0.000 0.972 671 Q CA 0.787 56.613 55.803 0.038 0.000 0.847 671 Q CB -0.072 28.688 28.738 0.037 0.000 0.903 671 Q HN 0.464 nan 8.270 nan 0.000 0.433 672 I N 0.776 121.407 120.570 0.102 0.000 2.252 672 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 672 I C 1.844 177.984 176.117 0.037 0.000 1.102 672 I CA 1.018 62.372 61.300 0.089 0.000 1.385 672 I CB -0.266 37.803 38.000 0.115 0.000 1.064 672 I HN 0.081 nan 8.210 nan 0.000 0.414 673 D N 0.848 121.269 120.400 0.034 0.000 2.117 673 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 673 D C 2.369 178.668 176.300 -0.001 0.000 0.987 673 D CA 1.292 55.298 54.000 0.011 0.000 0.829 673 D CB -0.109 40.700 40.800 0.015 0.000 0.961 673 D HN 0.343 nan 8.370 nan 0.000 0.460 674 R N 0.222 120.725 120.500 0.005 0.000 2.075 674 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 674 R C 1.860 178.160 176.300 -0.001 0.000 1.114 674 R CA 0.744 56.843 56.100 -0.002 0.000 0.972 674 R CB 0.153 30.451 30.300 -0.004 0.000 0.869 674 R HN 0.048 nan 8.270 nan 0.000 0.437 675 E N -0.085 120.125 120.200 0.017 0.000 2.364 675 E HA 0.094 4.444 4.350 -0.000 0.000 0.196 675 E C -0.062 176.564 176.600 0.043 0.000 0.990 675 E CA 0.304 56.730 56.400 0.044 0.000 0.886 675 E CB 0.737 30.480 29.700 0.073 0.000 0.866 675 E HN -0.036 nan 8.360 nan 0.000 0.493 676 V N 3.992 123.878 119.914 -0.047 0.000 2.370 676 V HA 0.271 4.391 4.120 -0.000 0.000 0.283 676 V C -2.335 173.562 176.094 -0.328 0.000 1.023 676 V CA -2.016 60.118 62.300 -0.277 0.000 0.857 676 V CB 1.464 33.176 31.823 -0.184 0.000 0.985 676 V HN -0.056 nan 8.190 nan 0.000 0.443 677 P HA 0.222 nan 4.420 nan 0.000 0.272 677 P C 0.487 177.641 177.300 -0.244 0.000 1.223 677 P CA -0.330 62.589 63.100 -0.301 0.000 0.784 677 P CB 0.747 32.258 31.700 -0.314 0.000 0.923 678 K N 0.559 120.875 120.400 -0.139 0.000 2.486 678 K HA 0.157 4.477 4.320 -0.000 0.000 0.194 678 K C 1.024 177.570 176.600 -0.090 0.000 1.033 678 K CA 0.493 56.719 56.287 -0.102 0.000 1.004 678 K CB -0.078 32.383 32.500 -0.066 0.000 0.798 678 K HN 0.688 nan 8.250 nan 0.000 0.495 679 G N 0.000 108.745 108.800 -0.092 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 45.070 45.100 -0.049 0.000 0.502 679 G HN 0.000 nan 8.290 nan 0.000 0.925