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 1vrq_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKPQRLSAAQ TAGARINRDE ALTLTVDGQQ LSAFRGDTVA SAMLANGLRS DATA SEQUENCE CGNSMYLDRP RGIFSAGVEE PNALITVGAR HQADINESML PATTVSVTDG DATA SEQUENCE LNATLLSGLG VLDPSEDPAY YDHVHVHTDV LVVGAGPAGL AAAREASRSG DATA SEQUENCE ARVMLLDERP EAGGTLREAS GEQIDGIDAA QWIDAVTEEL AAAEETTHLQ DATA SEQUENCE RTTVFGSYDA NYILAAQRRT VHLDGPSGQG VSRERIWHIR AKQVVLATAA DATA SEQUENCE HERPIVFENN DRPGIMLAGS VRSYLNRFGV RAGSKIAVAT TNDSVYPLVS DATA SEQUENCE ELAASGGVVA VIDARQNISA AAAQAVTDGV TVLTGSVVAN TEADASGELS DATA SEQUENCE AVLVATLDEQ RNLGEAQRFE ADVLAVSGGF NPVVHLHSQR QGKLNWDTSI DATA SEQUENCE HAFVPADAVA NQHLAGALTG LLDTASALST GAATGAAAAS AAGFEKIAEV DATA SEQUENCE PQALAVPAGE TRPVWLVPSL SGDDAVHYKF HFVDLQRDQT VADVLRATGA DATA SEQUENCE GMQSVEHIKR YTSISTANDQ GKTSGVAAIG VIAAVLGIEN PAQIGTTTFR DATA SEQUENCE APYTPVSFAA LAGRTRGELL DPARLTAMHP WHLAHGAKFE DVGQWKRPWY DATA SEQUENCE YPQDGESMDE AVYRECKAVR DSVGMLDAST LGKIEIRGKD AAEFLNRMYT DATA SEQUENCE NGYTKLKVGM GRYGVMCKAD GMIFDDGVTL RLAEDRFLMH TTTGGAADVL DATA SEQUENCE DWLEEWLQTE WPELDVTCTS VTEQLATVAV VGPRSRDVIA KLASSLDVSN DATA SEQUENCE DAFKFMAFQD VTLDSGIEAR ISRISFSGEL AFEIAIPAWH GLQVWEDVYA DATA SEQUENCE AGQEFNITPY GTETMHVLRA EKGFIIVGQD TDGTVTPQDA GMEWVVSKLK DATA SEQUENCE DFVGKRSFSR EDNVREDRKH LVSVLPVDSS LRLAEGAALV AADAVASEGV DATA SEQUENCE TPMEGWVTHA YNSPALGRTF GLALIKNGRN RIGEVLKTPV DGQLVDVQVS DATA SEQUENCE DLVLFDPEGS RRD 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.595 174.600 -0.009 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.201 63.200 0.001 0.000 0.593 2 K N 1.992 122.384 120.400 -0.012 0.000 2.185 2 K HA 0.448 4.766 4.320 -0.003 0.000 0.271 2 K C -2.434 174.152 176.600 -0.024 0.000 1.013 2 K CA -1.693 54.581 56.287 -0.022 0.000 0.943 2 K CB 0.070 32.557 32.500 -0.022 0.000 0.998 2 K HN 0.294 nan 8.250 nan 0.000 0.468 3 P HA -0.057 nan 4.420 nan 0.000 0.272 3 P C -1.257 176.024 177.300 -0.031 0.000 1.240 3 P CA -0.094 62.979 63.100 -0.044 0.000 0.791 3 P CB 0.656 32.305 31.700 -0.086 0.000 0.978 4 Q N -0.961 118.830 119.800 -0.015 0.000 2.534 4 Q HA 0.576 4.914 4.340 -0.003 0.000 0.290 4 Q C -1.167 174.851 176.000 0.030 0.000 0.991 4 Q CA -1.270 54.536 55.803 0.004 0.000 0.783 4 Q CB 1.362 30.107 28.738 0.012 0.000 1.470 4 Q HN 0.165 nan 8.270 nan 0.000 0.406 5 R N 1.276 121.805 120.500 0.049 0.000 2.297 5 R HA 0.486 4.824 4.340 -0.003 0.000 0.308 5 R C -0.733 175.616 176.300 0.082 0.000 1.029 5 R CA -0.204 55.950 56.100 0.090 0.000 0.929 5 R CB 0.572 30.951 30.300 0.130 0.000 1.046 5 R HN 0.694 nan 8.270 nan 0.000 0.461 6 L N 2.397 123.669 121.223 0.082 0.000 2.479 6 L HA 0.278 4.616 4.340 -0.003 0.000 0.248 6 L C 0.604 177.512 176.870 0.063 0.000 1.205 6 L CA -0.550 54.328 54.840 0.063 0.000 0.817 6 L CB 0.783 42.876 42.059 0.056 0.000 1.162 6 L HN 0.862 nan 8.230 nan 0.000 0.486 7 S N 0.038 115.765 115.700 0.045 0.000 2.576 7 S HA 0.133 4.601 4.470 -0.003 0.000 0.272 7 S C 0.972 175.587 174.600 0.025 0.000 1.352 7 S CA -0.141 58.081 58.200 0.038 0.000 1.021 7 S CB 1.264 64.480 63.200 0.027 0.000 0.887 7 S HN 0.680 nan 8.310 nan 0.000 0.542 8 A N 2.290 125.116 122.820 0.010 0.000 1.972 8 A HA 0.147 4.465 4.320 -0.003 0.000 0.219 8 A C 2.361 179.936 177.584 -0.015 0.000 1.169 8 A CA 1.654 53.678 52.037 -0.021 0.000 0.635 8 A CB -1.546 17.427 19.000 -0.046 0.000 0.810 8 A HN 1.384 nan 8.150 nan 0.000 0.446 9 A N -0.955 121.862 122.820 -0.004 0.000 2.015 9 A HA -0.132 4.186 4.320 -0.003 0.000 0.219 9 A C 2.032 179.617 177.584 0.001 0.000 1.163 9 A CA 1.443 53.478 52.037 -0.003 0.000 0.646 9 A CB -0.349 18.651 19.000 0.001 0.000 0.806 9 A HN 0.651 nan 8.150 nan 0.000 0.448 10 Q N -0.789 119.016 119.800 0.008 0.000 2.398 10 Q HA -0.015 4.324 4.340 -0.003 0.000 0.204 10 Q C 0.859 176.868 176.000 0.014 0.000 0.932 10 Q CA 1.186 56.997 55.803 0.013 0.000 0.916 10 Q CB 0.136 28.886 28.738 0.021 0.000 1.024 10 Q HN 0.742 nan 8.270 nan 0.000 0.504 11 T N -2.571 111.989 114.554 0.011 0.000 3.275 11 T HA 0.572 4.920 4.350 -0.003 0.000 0.265 11 T C 0.182 174.878 174.700 -0.008 0.000 0.978 11 T CA -0.440 61.667 62.100 0.011 0.000 0.923 11 T CB 0.433 69.317 68.868 0.028 0.000 1.126 11 T HN 0.103 nan 8.240 nan 0.000 0.538 12 A N 0.259 123.071 122.820 -0.012 0.000 2.492 12 A HA 0.620 4.938 4.320 -0.003 0.000 0.254 12 A C 1.597 179.169 177.584 -0.020 0.000 1.091 12 A CA 0.302 52.327 52.037 -0.020 0.000 0.768 12 A CB -0.783 18.207 19.000 -0.016 0.000 1.028 12 A HN 1.554 nan 8.150 nan 0.000 0.498 13 G N 0.911 109.694 108.800 -0.028 0.000 2.218 13 G HA2 0.188 4.146 3.960 -0.003 0.000 0.216 13 G HA3 0.188 4.146 3.960 -0.003 0.000 0.216 13 G C 0.619 175.493 174.900 -0.044 0.000 0.994 13 G CA 0.165 45.247 45.100 -0.030 0.000 0.637 13 G HN 2.137 nan 8.290 nan 0.000 0.505 14 A N 0.846 123.641 122.820 -0.041 0.000 2.498 14 A HA 0.551 4.869 4.320 -0.003 0.000 0.239 14 A C 1.088 178.630 177.584 -0.071 0.000 1.068 14 A CA 0.212 52.217 52.037 -0.054 0.000 0.766 14 A CB 0.163 19.159 19.000 -0.007 0.000 1.003 14 A HN 0.342 nan 8.150 nan 0.000 0.497 15 R N 1.745 122.166 120.500 -0.131 0.000 4.779 15 R HA 0.165 4.504 4.340 -0.003 0.000 0.217 15 R C -0.252 176.028 176.300 -0.033 0.000 1.934 15 R CA 0.332 56.364 56.100 -0.112 0.000 1.623 15 R CB -1.453 28.729 30.300 -0.196 0.000 1.364 15 R HN 0.733 nan 8.270 nan 0.000 0.799 16 I N -2.945 117.630 120.570 0.008 0.000 2.865 16 I HA 0.425 4.593 4.170 -0.003 0.000 0.302 16 I C -0.522 175.593 176.117 -0.004 0.000 1.140 16 I CA -1.230 60.116 61.300 0.076 0.000 1.021 16 I CB 2.360 40.462 38.000 0.170 0.000 1.233 16 I HN -0.247 nan 8.210 nan 0.000 0.427 17 N N 3.471 122.186 118.700 0.025 0.000 2.589 17 N HA 0.333 5.071 4.740 -0.003 0.000 0.232 17 N C 0.355 175.771 175.510 -0.156 0.000 1.015 17 N CA -0.372 52.656 53.050 -0.037 0.000 0.931 17 N CB 0.916 39.423 38.487 0.032 0.000 1.150 17 N HN 0.652 nan 8.380 nan 0.000 0.512 18 R N 1.078 121.329 120.500 -0.416 0.000 2.328 18 R HA -0.001 4.338 4.340 -0.003 0.000 0.207 18 R C -0.042 176.091 176.300 -0.278 0.000 1.056 18 R CA 0.727 56.327 56.100 -0.833 0.000 1.016 18 R CB 0.362 30.219 30.300 -0.739 0.000 0.872 18 R HN 0.491 nan 8.270 nan 0.000 0.471 19 D N 0.189 120.531 120.400 -0.096 0.000 2.339 19 D HA -0.041 4.597 4.640 -0.003 0.000 0.217 19 D C -0.085 176.258 176.300 0.072 0.000 1.050 19 D CA 0.583 54.584 54.000 0.001 0.000 0.856 19 D CB 0.410 41.204 40.800 -0.010 0.000 0.922 19 D HN 0.236 nan 8.370 nan 0.000 0.518 20 E N 0.941 121.220 120.200 0.133 0.000 2.873 20 E HA 0.440 4.788 4.350 -0.003 0.000 0.232 20 E C -0.975 175.786 176.600 0.267 0.000 1.123 20 E CA -0.461 56.034 56.400 0.159 0.000 0.809 20 E CB 0.751 30.520 29.700 0.116 0.000 1.366 20 E HN -0.049 nan 8.360 nan 0.000 0.400 21 A N 3.835 126.811 122.820 0.259 0.000 2.407 21 A HA 0.530 4.848 4.320 -0.003 0.000 0.248 21 A C -0.494 177.119 177.584 0.048 0.000 1.082 21 A CA 0.029 52.169 52.037 0.172 0.000 0.785 21 A CB 0.374 19.440 19.000 0.110 0.000 1.020 21 A HN 0.646 nan 8.150 nan 0.000 0.489 22 L N 0.526 121.723 121.223 -0.044 0.000 2.359 22 L HA 0.716 5.054 4.340 -0.003 0.000 0.256 22 L C 0.120 176.944 176.870 -0.076 0.000 1.026 22 L CA -0.749 54.072 54.840 -0.032 0.000 0.828 22 L CB 2.815 44.873 42.059 -0.000 0.000 1.406 22 L HN 0.865 nan 8.230 nan 0.000 0.413 23 T N -0.018 114.507 114.554 -0.047 0.000 2.900 23 T HA 0.834 5.182 4.350 -0.003 0.000 0.295 23 T C -0.805 173.871 174.700 -0.039 0.000 1.044 23 T CA -0.712 61.355 62.100 -0.054 0.000 0.995 23 T CB 1.921 70.764 68.868 -0.042 0.000 1.072 23 T HN 0.651 nan 8.240 nan 0.000 0.473 24 L N -1.028 120.169 121.223 -0.045 0.000 2.491 24 L HA 0.967 5.306 4.340 -0.003 0.000 0.254 24 L C -1.175 175.673 176.870 -0.037 0.000 1.048 24 L CA -1.046 53.773 54.840 -0.034 0.000 0.855 24 L CB 1.964 44.003 42.059 -0.033 0.000 1.466 24 L HN 0.645 nan 8.230 nan 0.000 0.409 25 T N 0.831 115.366 114.554 -0.031 0.000 2.824 25 T HA 0.676 5.025 4.350 -0.003 0.000 0.282 25 T C -0.861 173.819 174.700 -0.033 0.000 0.993 25 T CA -0.460 61.621 62.100 -0.032 0.000 0.967 25 T CB 1.944 70.796 68.868 -0.026 0.000 0.960 25 T HN 0.465 nan 8.240 nan 0.000 0.441 26 V N 3.228 123.121 119.914 -0.036 0.000 2.409 26 V HA 0.311 4.430 4.120 -0.003 0.000 0.290 26 V C -0.434 175.639 176.094 -0.035 0.000 1.017 26 V CA -0.849 61.429 62.300 -0.037 0.000 0.841 26 V CB 1.223 33.020 31.823 -0.044 0.000 1.003 26 V HN 1.002 nan 8.190 nan 0.000 0.426 27 D N 4.434 124.815 120.400 -0.032 0.000 2.689 27 D HA -0.165 4.473 4.640 -0.003 0.000 0.237 27 D C 1.327 177.611 176.300 -0.028 0.000 1.148 27 D CA 1.999 55.981 54.000 -0.030 0.000 0.656 27 D CB -1.051 39.729 40.800 -0.032 0.000 1.050 27 D HN 1.398 nan 8.370 nan 0.000 0.426 28 G N -0.439 108.345 108.800 -0.026 0.000 2.162 28 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.260 28 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.260 28 G C 0.168 175.054 174.900 -0.025 0.000 0.976 28 G CA 0.569 45.655 45.100 -0.024 0.000 0.655 28 G HN 0.677 nan 8.290 nan 0.000 0.533 29 Q N 0.203 119.986 119.800 -0.029 0.000 2.333 29 Q HA 0.535 4.874 4.340 -0.003 0.000 0.265 29 Q C 0.092 176.071 176.000 -0.034 0.000 0.989 29 Q CA -0.668 55.117 55.803 -0.031 0.000 0.842 29 Q CB 0.823 29.541 28.738 -0.033 0.000 1.262 29 Q HN 0.437 nan 8.270 nan 0.000 0.451 30 Q N 4.536 124.316 119.800 -0.033 0.000 2.304 30 Q HA 0.328 4.667 4.340 -0.003 0.000 0.260 30 Q C -1.321 174.651 176.000 -0.047 0.000 0.965 30 Q CA -0.007 55.773 55.803 -0.037 0.000 0.898 30 Q CB 0.610 29.329 28.738 -0.033 0.000 1.196 30 Q HN 0.642 nan 8.270 nan 0.000 0.402 31 L N 1.992 123.181 121.223 -0.056 0.000 2.341 31 L HA 0.525 4.864 4.340 -0.003 0.000 0.267 31 L C -0.270 176.545 176.870 -0.092 0.000 1.009 31 L CA -0.894 53.903 54.840 -0.072 0.000 0.819 31 L CB 2.172 44.186 42.059 -0.074 0.000 1.323 31 L HN 0.543 nan 8.230 nan 0.000 0.425 32 S N 0.433 116.060 115.700 -0.122 0.000 2.565 32 S HA 0.907 5.375 4.470 -0.003 0.000 0.290 32 S C -0.497 173.942 174.600 -0.268 0.000 1.150 32 S CA -0.037 58.053 58.200 -0.183 0.000 1.058 32 S CB 1.548 64.635 63.200 -0.189 0.000 1.032 32 S HN 0.773 nan 8.310 nan 0.000 0.510 33 A N 2.379 124.978 122.820 -0.369 0.000 2.515 33 A HA 0.861 5.179 4.320 -0.003 0.000 0.299 33 A C -2.054 175.172 177.584 -0.597 0.000 1.179 33 A CA -0.616 51.165 52.037 -0.427 0.000 0.656 33 A CB 0.579 19.485 19.000 -0.156 0.000 1.306 33 A HN 0.647 nan 8.150 nan 0.000 0.459 34 F N -0.534 119.449 119.950 0.056 0.000 2.603 34 F HA 0.745 5.270 4.527 -0.003 0.000 0.317 34 F C 0.353 176.200 175.800 0.077 0.000 1.066 34 F CA -0.732 57.305 58.000 0.062 0.000 0.941 34 F CB 1.582 40.624 39.000 0.070 0.000 1.291 34 F HN 0.613 nan 8.300 nan 0.000 0.472 35 R N 0.683 121.351 120.500 0.280 0.000 2.522 35 R HA 0.442 4.780 4.340 -0.003 0.000 0.284 35 R C 0.837 177.258 176.300 0.201 0.000 1.032 35 R CA 1.223 57.436 56.100 0.189 0.000 1.049 35 R CB -0.232 30.153 30.300 0.142 0.000 0.956 35 R HN 0.915 nan 8.270 nan 0.000 0.422 36 G N 2.746 111.664 108.800 0.197 0.000 2.278 36 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.210 36 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.210 36 G C -0.260 174.838 174.900 0.330 0.000 1.000 36 G CA -0.000 45.230 45.100 0.216 0.000 0.635 36 G HN 0.633 nan 8.290 nan 0.000 0.495 37 D N 1.887 122.469 120.400 0.303 0.000 2.368 37 D HA 0.502 5.140 4.640 -0.003 0.000 0.240 37 D C 1.182 177.574 176.300 0.154 0.000 1.169 37 D CA 1.252 55.412 54.000 0.266 0.000 0.906 37 D CB 1.226 42.111 40.800 0.142 0.000 1.187 37 D HN 0.501 nan 8.370 nan 0.000 0.435 38 T N -2.680 111.873 114.554 -0.002 0.000 2.937 38 T HA 0.310 4.658 4.350 -0.003 0.000 0.283 38 T C 1.428 176.092 174.700 -0.061 0.000 1.012 38 T CA -0.850 61.243 62.100 -0.012 0.000 0.997 38 T CB 0.859 69.698 68.868 -0.049 0.000 1.136 38 T HN 0.018 nan 8.240 nan 0.000 0.551 39 V N 0.987 120.880 119.914 -0.035 0.000 2.490 39 V HA -0.080 4.038 4.120 -0.003 0.000 0.250 39 V C 2.994 179.037 176.094 -0.086 0.000 1.061 39 V CA 2.224 64.495 62.300 -0.049 0.000 1.064 39 V CB -1.564 30.242 31.823 -0.030 0.000 0.670 39 V HN 1.053 nan 8.190 nan 0.000 0.461 40 A N 0.790 123.555 122.820 -0.092 0.000 1.872 40 A HA -0.171 4.147 4.320 -0.003 0.000 0.214 40 A C 2.566 180.002 177.584 -0.246 0.000 1.187 40 A CA 2.028 53.991 52.037 -0.123 0.000 0.614 40 A CB -0.759 18.228 19.000 -0.022 0.000 0.826 40 A HN 0.658 nan 8.150 nan 0.000 0.442 41 S N 0.330 115.846 115.700 -0.306 0.000 2.382 41 S HA 0.020 4.488 4.470 -0.003 0.000 0.228 41 S C 2.097 176.555 174.600 -0.236 0.000 1.027 41 S CA 1.356 59.308 58.200 -0.413 0.000 0.991 41 S CB -0.688 61.948 63.200 -0.940 0.000 0.823 41 S HN 0.882 nan 8.310 nan 0.000 0.469 42 A N 1.942 124.661 122.820 -0.169 0.000 1.933 42 A HA 0.089 4.408 4.320 -0.003 0.000 0.218 42 A C 2.360 179.872 177.584 -0.120 0.000 1.175 42 A CA 1.606 53.577 52.037 -0.111 0.000 0.628 42 A CB -0.775 18.173 19.000 -0.086 0.000 0.814 42 A HN 0.575 nan 8.150 nan 0.000 0.444 43 M N -0.616 118.903 119.600 -0.136 0.000 2.065 43 M HA -0.141 4.338 4.480 -0.003 0.000 0.259 43 M C 2.132 178.347 176.300 -0.141 0.000 1.069 43 M CA 1.593 56.818 55.300 -0.126 0.000 1.110 43 M CB -0.529 31.995 32.600 -0.126 0.000 1.328 43 M HN 0.387 nan 8.290 nan 0.000 0.405 44 L N -0.423 120.676 121.223 -0.206 0.000 2.046 44 L HA -0.167 4.171 4.340 -0.003 0.000 0.208 44 L C 2.724 179.517 176.870 -0.128 0.000 1.077 44 L CA 1.122 55.835 54.840 -0.211 0.000 0.747 44 L CB -0.925 40.907 42.059 -0.377 0.000 0.896 44 L HN 0.316 nan 8.230 nan 0.000 0.432 45 A N -0.470 122.289 122.820 -0.102 0.000 2.070 45 A HA -0.146 4.172 4.320 -0.003 0.000 0.220 45 A C 1.785 179.342 177.584 -0.045 0.000 1.159 45 A CA 1.338 53.352 52.037 -0.040 0.000 0.656 45 A CB -0.428 18.569 19.000 -0.005 0.000 0.800 45 A HN 0.479 nan 8.150 nan 0.000 0.453 46 N N -0.954 117.705 118.700 -0.068 0.000 2.235 46 N HA 0.179 4.917 4.740 -0.003 0.000 0.209 46 N C 0.910 176.387 175.510 -0.054 0.000 1.122 46 N CA 0.753 53.767 53.050 -0.061 0.000 0.845 46 N CB 0.578 39.023 38.487 -0.071 0.000 1.004 46 N HN 0.575 nan 8.380 nan 0.000 0.499 47 G N 1.037 109.803 108.800 -0.057 0.000 2.143 47 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.249 47 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.249 47 G C -0.109 174.757 174.900 -0.058 0.000 0.981 47 G CA -0.201 44.869 45.100 -0.050 0.000 0.665 47 G HN 0.251 nan 8.290 nan 0.000 0.528 48 L N 0.248 121.427 121.223 -0.073 0.000 2.276 48 L HA 0.540 4.878 4.340 -0.003 0.000 0.286 48 L C 1.485 178.299 176.870 -0.093 0.000 1.024 48 L CA -0.550 54.246 54.840 -0.074 0.000 0.826 48 L CB 1.332 43.348 42.059 -0.072 0.000 1.211 48 L HN 0.395 nan 8.230 nan 0.000 0.422 49 R N 0.282 120.734 120.500 -0.079 0.000 2.373 49 R HA 0.274 4.612 4.340 -0.003 0.000 0.221 49 R C 0.264 176.527 176.300 -0.062 0.000 0.893 49 R CA -0.213 55.835 56.100 -0.086 0.000 1.049 49 R CB 0.414 30.672 30.300 -0.070 0.000 1.119 49 R HN 0.401 nan 8.270 nan 0.000 0.535 50 S N 0.714 116.382 115.700 -0.053 0.000 2.616 50 S HA 0.467 4.935 4.470 -0.003 0.000 0.277 50 S C 0.241 174.812 174.600 -0.049 0.000 1.234 50 S CA -0.627 57.547 58.200 -0.045 0.000 1.028 50 S CB 1.418 64.594 63.200 -0.041 0.000 0.988 50 S HN 0.496 nan 8.310 nan 0.000 0.522 51 C N 0.624 119.896 119.300 -0.046 0.000 3.292 51 C HA 0.970 5.428 4.460 -0.003 0.000 0.369 51 C C 0.990 175.948 174.990 -0.053 0.000 2.360 51 C CA -0.915 58.074 59.018 -0.048 0.000 1.526 51 C CB -0.308 27.406 27.740 -0.044 0.000 2.784 51 C HN 0.820 nan 8.230 nan 0.000 0.490 52 G N 1.824 110.590 108.800 -0.057 0.000 2.491 52 G HA2 0.380 4.338 3.960 -0.003 0.000 0.238 52 G HA3 0.380 4.338 3.960 -0.003 0.000 0.238 52 G C -0.250 174.605 174.900 -0.074 0.000 1.277 52 G CA -0.004 45.058 45.100 -0.063 0.000 0.851 52 G HN 0.799 nan 8.290 nan 0.000 0.573 53 N N -0.192 118.465 118.700 -0.072 0.000 2.371 53 N HA 0.131 4.869 4.740 -0.003 0.000 0.243 53 N C 1.032 176.480 175.510 -0.103 0.000 1.287 53 N CA 0.039 53.042 53.050 -0.079 0.000 0.911 53 N CB 0.684 39.136 38.487 -0.059 0.000 1.142 53 N HN 0.674 nan 8.380 nan 0.000 0.451 54 S N -0.189 115.441 115.700 -0.115 0.000 2.563 54 S HA -0.070 4.398 4.470 -0.003 0.000 0.284 54 S C 1.418 175.930 174.600 -0.147 0.000 1.331 54 S CA -0.424 57.692 58.200 -0.140 0.000 1.047 54 S CB 0.347 63.465 63.200 -0.137 0.000 0.859 54 S HN 0.657 nan 8.310 nan 0.000 0.514 55 M N 2.141 121.598 119.600 -0.239 0.000 2.117 55 M HA -0.094 4.384 4.480 -0.003 0.000 0.262 55 M C 0.686 176.708 176.300 -0.465 0.000 1.065 55 M CA 1.802 56.847 55.300 -0.424 0.000 1.114 55 M CB -0.186 32.008 32.600 -0.677 0.000 1.361 55 M HN 0.890 nan 8.290 nan 0.000 0.408 56 Y N -0.915 119.389 120.300 0.006 0.000 2.539 56 Y HA 0.223 4.771 4.550 -0.003 0.000 0.284 56 Y C 1.742 177.664 175.900 0.037 0.000 1.134 56 Y CA 0.419 58.531 58.100 0.020 0.000 1.251 56 Y CB -0.182 38.294 38.460 0.026 0.000 1.260 56 Y HN 0.072 nan 8.280 nan 0.000 0.528 57 L N -0.043 121.301 121.223 0.202 0.000 2.554 57 L HA 0.011 4.349 4.340 -0.003 0.000 0.226 57 L C 0.356 177.286 176.870 0.100 0.000 1.137 57 L CA 0.884 55.827 54.840 0.172 0.000 0.863 57 L CB -0.277 41.930 42.059 0.246 0.000 0.985 57 L HN 0.188 nan 8.230 nan 0.000 0.451 58 D N 0.948 121.374 120.400 0.043 0.000 2.837 58 D HA -0.210 4.428 4.640 -0.003 0.000 0.230 58 D C 0.459 176.758 176.300 -0.001 0.000 1.152 58 D CA 0.612 54.614 54.000 0.004 0.000 0.736 58 D CB -0.304 40.505 40.800 0.016 0.000 1.084 58 D HN 0.284 nan 8.370 nan 0.000 0.429 59 R N 0.015 120.510 120.500 -0.009 0.000 2.560 59 R HA 0.527 4.865 4.340 -0.003 0.000 0.270 59 R C -2.225 174.035 176.300 -0.068 0.000 1.074 59 R CA -1.563 54.522 56.100 -0.026 0.000 1.140 59 R CB 0.468 30.753 30.300 -0.025 0.000 1.073 59 R HN 0.075 nan 8.270 nan 0.000 0.527 60 P HA 0.066 nan 4.420 nan 0.000 0.268 60 P C -0.814 176.430 177.300 -0.092 0.000 1.205 60 P CA 0.319 63.380 63.100 -0.064 0.000 0.771 60 P CB 0.731 32.402 31.700 -0.048 0.000 0.858 61 R N 1.400 121.850 120.500 -0.084 0.000 2.774 61 R HA 0.817 5.155 4.340 -0.003 0.000 0.272 61 R C -0.136 176.132 176.300 -0.053 0.000 1.000 61 R CA -0.760 55.284 56.100 -0.093 0.000 0.906 61 R CB 2.340 32.565 30.300 -0.125 0.000 1.227 61 R HN 0.665 nan 8.270 nan 0.000 0.468 62 G N 0.340 109.127 108.800 -0.022 0.000 2.725 62 G HA2 0.506 4.464 3.960 -0.003 0.000 0.288 62 G HA3 0.506 4.464 3.960 -0.003 0.000 0.288 62 G C -0.623 174.302 174.900 0.042 0.000 1.399 62 G CA -0.884 44.216 45.100 -0.001 0.000 0.859 62 G HN 0.387 nan 8.290 nan 0.000 0.479 63 I N 0.613 121.197 120.570 0.023 0.000 2.741 63 I HA -0.014 4.154 4.170 -0.003 0.000 0.288 63 I C 0.686 176.895 176.117 0.154 0.000 1.192 63 I CA 0.346 61.681 61.300 0.059 0.000 1.426 63 I CB 0.464 38.448 38.000 -0.026 0.000 1.367 63 I HN 0.481 nan 8.210 nan 0.000 0.563 64 F N 5.236 125.200 119.950 0.023 0.000 2.653 64 F HA 0.094 4.619 4.527 -0.003 0.000 0.288 64 F C 1.284 177.132 175.800 0.079 0.000 1.121 64 F CA 0.419 58.440 58.000 0.034 0.000 1.384 64 F CB 0.368 39.371 39.000 0.004 0.000 1.115 64 F HN 0.577 nan 8.300 nan 0.000 0.599 65 S N -0.843 114.941 115.700 0.140 0.000 2.903 65 S HA 0.754 5.222 4.470 -0.003 0.000 0.314 65 S C -0.309 174.374 174.600 0.139 0.000 1.177 65 S CA -0.166 58.072 58.200 0.064 0.000 0.859 65 S CB 1.125 64.363 63.200 0.065 0.000 1.265 65 S HN 0.232 nan 8.310 nan 0.000 0.584 66 A N -0.378 122.444 122.820 0.002 0.000 2.610 66 A HA 0.803 5.121 4.320 -0.003 0.000 0.290 66 A C 0.432 178.020 177.584 0.007 0.000 1.001 66 A CA 0.109 52.094 52.037 -0.087 0.000 1.004 66 A CB -0.428 18.290 19.000 -0.469 0.000 1.220 66 A HN 1.587 nan 8.150 nan 0.000 0.507 67 G N -1.643 107.178 108.800 0.036 0.000 2.706 67 G HA2 0.466 4.424 3.960 -0.003 0.000 0.307 67 G HA3 0.466 4.424 3.960 -0.003 0.000 0.307 67 G C 0.709 175.625 174.900 0.026 0.000 1.307 67 G CA 0.353 45.480 45.100 0.045 0.000 0.790 67 G HN 0.857 nan 8.290 nan 0.000 0.503 68 V N -0.813 119.117 119.914 0.027 0.000 3.186 68 V HA 0.012 4.131 4.120 -0.003 0.000 0.270 68 V C 1.821 177.869 176.094 -0.076 0.000 1.149 68 V CA 2.384 64.680 62.300 -0.007 0.000 1.160 68 V CB -0.551 31.284 31.823 0.021 0.000 0.758 68 V HN 0.743 nan 8.190 nan 0.000 0.516 69 E N 1.106 121.221 120.200 -0.141 0.000 2.502 69 E HA -0.058 4.290 4.350 -0.003 0.000 0.194 69 E C 0.763 177.354 176.600 -0.015 0.000 1.062 69 E CA 0.005 56.304 56.400 -0.167 0.000 0.867 69 E CB -0.193 29.291 29.700 -0.360 0.000 0.888 69 E HN 0.693 nan 8.360 nan 0.000 0.510 70 E N 3.309 123.521 120.200 0.020 0.000 2.585 70 E HA -0.043 4.305 4.350 -0.003 0.000 0.252 70 E C -1.621 175.001 176.600 0.036 0.000 0.981 70 E CA -1.090 55.354 56.400 0.074 0.000 0.943 70 E CB 1.072 30.811 29.700 0.064 0.000 0.923 70 E HN 0.017 nan 8.360 nan 0.000 0.486 71 P HA 0.104 nan 4.420 nan 0.000 0.242 71 P C -0.029 177.227 177.300 -0.073 0.000 1.176 71 P CA 0.293 63.364 63.100 -0.050 0.000 0.859 71 P CB 0.715 32.339 31.700 -0.127 0.000 1.010 72 N N 1.043 119.712 118.700 -0.052 0.000 2.511 72 N HA 0.067 4.805 4.740 -0.003 0.000 0.190 72 N C 1.168 176.653 175.510 -0.042 0.000 1.037 72 N CA 0.505 53.514 53.050 -0.068 0.000 0.895 72 N CB -0.868 37.576 38.487 -0.072 0.000 1.149 72 N HN -0.015 nan 8.380 nan 0.000 0.437 73 A N 2.438 125.253 122.820 -0.008 0.000 3.030 73 A HA 0.299 4.617 4.320 -0.003 0.000 0.273 73 A C 0.128 177.701 177.584 -0.019 0.000 1.841 73 A CA 0.001 52.029 52.037 -0.014 0.000 1.479 73 A CB -1.254 17.747 19.000 0.001 0.000 1.048 73 A HN 0.176 nan 8.150 nan 0.000 0.612 74 L N 2.144 123.347 121.223 -0.033 0.000 2.343 74 L HA 0.723 5.061 4.340 -0.003 0.000 0.275 74 L C 0.179 177.027 176.870 -0.036 0.000 1.056 74 L CA -0.606 54.214 54.840 -0.034 0.000 0.804 74 L CB 1.373 43.406 42.059 -0.044 0.000 1.203 74 L HN 0.687 nan 8.230 nan 0.000 0.440 75 I N -2.039 118.512 120.570 -0.031 0.000 3.102 75 I HA 0.496 4.664 4.170 -0.003 0.000 0.310 75 I C -0.794 175.305 176.117 -0.030 0.000 1.246 75 I CA -0.587 60.694 61.300 -0.032 0.000 0.979 75 I CB 2.499 40.482 38.000 -0.027 0.000 1.267 75 I HN 0.276 nan 8.210 nan 0.000 0.451 76 T N 3.122 117.657 114.554 -0.032 0.000 2.749 76 T HA 0.485 4.833 4.350 -0.003 0.000 0.287 76 T C -0.313 174.370 174.700 -0.027 0.000 0.970 76 T CA -0.355 61.726 62.100 -0.031 0.000 0.980 76 T CB 1.396 70.244 68.868 -0.034 0.000 0.924 76 T HN 0.383 nan 8.240 nan 0.000 0.456 77 V N 3.809 123.709 119.914 -0.023 0.000 2.383 77 V HA 0.522 4.640 4.120 -0.003 0.000 0.275 77 V C 1.120 177.197 176.094 -0.029 0.000 1.036 77 V CA -0.742 61.545 62.300 -0.022 0.000 0.889 77 V CB 1.218 33.034 31.823 -0.013 0.000 0.985 77 V HN 1.009 nan 8.190 nan 0.000 0.459 78 G N 3.594 112.376 108.800 -0.031 0.000 2.544 78 G HA2 0.464 4.423 3.960 -0.003 0.000 0.242 78 G HA3 0.464 4.423 3.960 -0.003 0.000 0.242 78 G C 0.412 175.280 174.900 -0.053 0.000 1.247 78 G CA 0.076 45.154 45.100 -0.036 0.000 0.840 78 G HN 1.165 nan 8.290 nan 0.000 0.578 79 A N 1.486 124.268 122.820 -0.063 0.000 2.587 79 A HA 0.202 4.520 4.320 -0.003 0.000 0.235 79 A C 1.600 179.102 177.584 -0.137 0.000 1.044 79 A CA -0.012 51.959 52.037 -0.110 0.000 0.754 79 A CB 0.296 19.242 19.000 -0.089 0.000 0.968 79 A HN 0.674 nan 8.150 nan 0.000 0.509 80 R N 0.967 121.314 120.500 -0.255 0.000 2.210 80 R HA 0.091 4.429 4.340 -0.003 0.000 0.203 80 R C 0.070 176.286 176.300 -0.139 0.000 1.010 80 R CA 1.398 57.377 56.100 -0.200 0.000 1.008 80 R CB -0.593 29.591 30.300 -0.193 0.000 0.923 80 R HN 1.038 nan 8.270 nan 0.000 0.469 81 H N -4.252 114.820 119.070 0.004 0.000 2.863 81 H HA 0.263 4.817 4.556 -0.003 0.000 0.274 81 H C 0.247 175.577 175.328 0.003 0.000 1.457 81 H CA -0.817 55.231 56.048 0.001 0.000 1.151 81 H CB 0.151 29.910 29.762 -0.004 0.000 1.844 81 H HN -0.398 nan 8.280 nan 0.000 0.562 82 Q N -0.194 119.735 119.800 0.216 0.000 2.439 82 Q HA 0.078 4.417 4.340 -0.003 0.000 0.211 82 Q C 0.767 176.866 176.000 0.165 0.000 0.978 82 Q CA 1.287 57.169 55.803 0.131 0.000 0.897 82 Q CB -0.021 28.765 28.738 0.081 0.000 0.956 82 Q HN 0.651 nan 8.270 nan 0.000 0.483 83 A N 0.541 123.584 122.820 0.371 0.000 2.842 83 A HA 0.254 4.572 4.320 -0.003 0.000 0.298 83 A C -0.543 177.178 177.584 0.229 0.000 1.293 83 A CA -0.266 51.939 52.037 0.281 0.000 0.959 83 A CB 0.148 19.267 19.000 0.198 0.000 1.119 83 A HN 0.054 nan 8.150 nan 0.000 0.564 84 D N -0.653 119.769 120.400 0.036 0.000 2.599 84 D HA 0.627 5.266 4.640 -0.003 0.000 0.252 84 D C -0.647 175.617 176.300 -0.059 0.000 1.232 84 D CA -0.240 53.698 54.000 -0.103 0.000 0.819 84 D CB 1.628 42.151 40.800 -0.463 0.000 1.401 84 D HN 0.298 nan 8.370 nan 0.000 0.429 85 I N -1.650 118.897 120.570 -0.039 0.000 3.343 85 I HA 0.642 4.810 4.170 -0.003 0.000 0.315 85 I C -0.676 175.422 176.117 -0.032 0.000 1.153 85 I CA -1.131 60.156 61.300 -0.022 0.000 0.952 85 I CB 1.667 39.671 38.000 0.006 0.000 1.287 85 I HN 0.084 nan 8.210 nan 0.000 0.472 86 N N 2.204 120.888 118.700 -0.027 0.000 2.513 86 N HA 0.208 4.946 4.740 -0.003 0.000 0.268 86 N C -0.961 174.533 175.510 -0.025 0.000 1.180 86 N CA 0.048 53.080 53.050 -0.029 0.000 0.948 86 N CB 0.889 39.359 38.487 -0.029 0.000 1.083 86 N HN 0.641 nan 8.380 nan 0.000 0.455 87 E N 0.350 120.535 120.200 -0.025 0.000 2.218 87 E HA 0.319 4.667 4.350 -0.003 0.000 0.263 87 E C -1.137 175.445 176.600 -0.030 0.000 0.879 87 E CA -0.435 55.951 56.400 -0.024 0.000 0.762 87 E CB 1.248 30.945 29.700 -0.006 0.000 1.166 87 E HN 0.421 nan 8.360 nan 0.000 0.415 88 S N 3.297 118.971 115.700 -0.043 0.000 2.745 88 S HA 0.418 4.886 4.470 -0.003 0.000 0.292 88 S C 0.263 174.836 174.600 -0.045 0.000 1.133 88 S CA -0.326 57.847 58.200 -0.044 0.000 0.998 88 S CB 0.631 63.800 63.200 -0.052 0.000 1.087 88 S HN 0.752 nan 8.310 nan 0.000 0.551 89 M N 0.444 120.017 119.600 -0.044 0.000 2.576 89 M HA -0.160 4.318 4.480 -0.003 0.000 0.200 89 M C -1.122 175.158 176.300 -0.033 0.000 0.487 89 M CA 0.671 55.945 55.300 -0.043 0.000 0.553 89 M CB -2.557 30.014 32.600 -0.049 0.000 2.042 89 M HN 0.459 nan 8.290 nan 0.000 0.758 90 L N 0.599 121.807 121.223 -0.025 0.000 2.307 90 L HA 0.459 4.797 4.340 -0.003 0.000 0.282 90 L C -1.769 175.095 176.870 -0.010 0.000 1.051 90 L CA -1.823 53.009 54.840 -0.014 0.000 0.804 90 L CB 1.258 43.315 42.059 -0.004 0.000 1.197 90 L HN -0.109 nan 8.230 nan 0.000 0.431 91 P HA 0.058 nan 4.420 nan 0.000 0.271 91 P C 0.113 177.420 177.300 0.012 0.000 1.233 91 P CA -0.063 63.039 63.100 0.004 0.000 0.764 91 P CB 1.261 32.966 31.700 0.009 0.000 0.825 92 A N 3.638 126.462 122.820 0.006 0.000 2.024 92 A HA -0.165 4.153 4.320 -0.003 0.000 0.220 92 A C 1.833 179.426 177.584 0.015 0.000 1.164 92 A CA 2.252 54.290 52.037 0.002 0.000 0.643 92 A CB -1.541 17.451 19.000 -0.013 0.000 0.806 92 A HN 0.561 nan 8.150 nan 0.000 0.451 93 T N -3.215 111.362 114.554 0.038 0.000 3.085 93 T HA -0.033 4.315 4.350 -0.003 0.000 0.263 93 T C 1.319 176.061 174.700 0.069 0.000 1.127 93 T CA 1.675 63.813 62.100 0.064 0.000 1.103 93 T CB -0.555 68.367 68.868 0.090 0.000 0.921 93 T HN 0.610 nan 8.240 nan 0.000 0.510 94 T N -1.393 113.195 114.554 0.057 0.000 3.040 94 T HA 0.408 4.756 4.350 -0.003 0.000 0.266 94 T C 0.207 174.946 174.700 0.064 0.000 1.005 94 T CA -0.430 61.710 62.100 0.067 0.000 0.906 94 T CB 0.005 68.906 68.868 0.055 0.000 1.082 94 T HN 0.162 nan 8.240 nan 0.000 0.531 95 V N 3.035 122.980 119.914 0.052 0.000 2.334 95 V HA 0.381 4.499 4.120 -0.003 0.000 0.267 95 V C 0.275 176.410 176.094 0.067 0.000 1.040 95 V CA -0.588 61.745 62.300 0.054 0.000 0.866 95 V CB 0.703 32.545 31.823 0.032 0.000 1.019 95 V HN 0.445 nan 8.190 nan 0.000 0.468 96 S N 4.235 119.992 115.700 0.096 0.000 2.533 96 S HA 0.219 4.687 4.470 -0.003 0.000 0.282 96 S C 0.204 174.863 174.600 0.099 0.000 1.304 96 S CA -0.400 57.872 58.200 0.121 0.000 1.063 96 S CB 1.102 64.401 63.200 0.164 0.000 0.881 96 S HN 0.476 nan 8.310 nan 0.000 0.493 97 V N 4.391 124.356 119.914 0.086 0.000 2.637 97 V HA 0.275 4.394 4.120 -0.003 0.000 0.296 97 V C 0.842 176.976 176.094 0.065 0.000 1.046 97 V CA -0.104 62.230 62.300 0.058 0.000 1.066 97 V CB 0.700 32.546 31.823 0.039 0.000 0.968 97 V HN 1.035 nan 8.190 nan 0.000 0.483 98 T N 0.464 115.045 114.554 0.045 0.000 2.887 98 T HA 0.408 4.756 4.350 -0.003 0.000 0.288 98 T C -0.593 174.121 174.700 0.024 0.000 1.021 98 T CA -0.909 61.215 62.100 0.040 0.000 1.000 98 T CB 1.581 70.472 68.868 0.039 0.000 1.034 98 T HN 0.528 nan 8.240 nan 0.000 0.467 99 D N 0.861 121.275 120.400 0.023 0.000 2.472 99 D HA 0.377 5.015 4.640 -0.003 0.000 0.248 99 D C 1.610 177.915 176.300 0.009 0.000 1.174 99 D CA 1.977 55.985 54.000 0.013 0.000 0.883 99 D CB -0.227 40.583 40.800 0.016 0.000 1.149 99 D HN 1.132 nan 8.370 nan 0.000 0.488 100 G N 3.106 111.906 108.800 -0.001 0.000 2.157 100 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.248 100 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.248 100 G C 0.510 175.406 174.900 -0.006 0.000 0.979 100 G CA 0.164 45.262 45.100 -0.003 0.000 0.650 100 G HN 0.641 nan 8.290 nan 0.000 0.529 101 L N 0.524 121.744 121.223 -0.005 0.000 2.540 101 L HA 0.436 4.774 4.340 -0.003 0.000 0.276 101 L C 0.182 177.042 176.870 -0.016 0.000 1.212 101 L CA -0.015 54.820 54.840 -0.009 0.000 0.893 101 L CB 0.340 42.398 42.059 -0.002 0.000 1.138 101 L HN 0.224 nan 8.230 nan 0.000 0.491 102 N N 3.601 122.289 118.700 -0.019 0.000 2.417 102 N HA 0.667 5.405 4.740 -0.003 0.000 0.274 102 N C -1.196 174.299 175.510 -0.024 0.000 0.987 102 N CA -0.194 52.843 53.050 -0.022 0.000 0.912 102 N CB 1.735 40.209 38.487 -0.022 0.000 1.177 102 N HN 0.729 nan 8.380 nan 0.000 0.490 103 A N 1.810 124.614 122.820 -0.026 0.000 2.374 103 A HA 0.757 5.075 4.320 -0.003 0.000 0.317 103 A C -0.734 176.832 177.584 -0.030 0.000 1.094 103 A CA -0.550 51.470 52.037 -0.027 0.000 0.765 103 A CB 1.138 20.121 19.000 -0.028 0.000 1.268 103 A HN 0.477 nan 8.150 nan 0.000 0.438 104 T N 2.709 117.244 114.554 -0.031 0.000 2.809 104 T HA 0.445 4.793 4.350 -0.003 0.000 0.284 104 T C -0.226 174.452 174.700 -0.036 0.000 0.992 104 T CA -0.231 61.850 62.100 -0.033 0.000 0.957 104 T CB 0.513 69.362 68.868 -0.032 0.000 0.942 104 T HN 0.482 nan 8.240 nan 0.000 0.439 105 L N 4.317 125.516 121.223 -0.039 0.000 2.462 105 L HA 0.320 4.658 4.340 -0.003 0.000 0.272 105 L C 0.095 176.936 176.870 -0.047 0.000 1.166 105 L CA -0.207 54.607 54.840 -0.043 0.000 0.880 105 L CB 0.100 42.133 42.059 -0.044 0.000 1.142 105 L HN 0.404 nan 8.230 nan 0.000 0.473 106 L N 2.442 123.634 121.223 -0.051 0.000 2.365 106 L HA 0.409 4.747 4.340 -0.003 0.000 0.267 106 L C 0.515 177.341 176.870 -0.073 0.000 1.033 106 L CA -0.373 54.431 54.840 -0.060 0.000 0.802 106 L CB 1.582 43.606 42.059 -0.059 0.000 1.267 106 L HN 0.497 nan 8.230 nan 0.000 0.457 107 S N 0.258 115.905 115.700 -0.088 0.000 2.422 107 S HA 0.371 4.839 4.470 -0.003 0.000 0.226 107 S C 0.717 175.227 174.600 -0.151 0.000 1.242 107 S CA 0.197 58.328 58.200 -0.116 0.000 1.231 107 S CB 0.754 63.886 63.200 -0.114 0.000 1.067 107 S HN 1.047 nan 8.310 nan 0.000 0.462 108 G N 1.128 109.850 108.800 -0.129 0.000 2.179 108 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.260 108 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.260 108 G C -0.259 174.572 174.900 -0.116 0.000 0.977 108 G CA 0.196 45.213 45.100 -0.138 0.000 0.641 108 G HN 0.543 nan 8.290 nan 0.000 0.533 109 L N 1.578 122.740 121.223 -0.102 0.000 2.349 109 L HA 0.801 5.139 4.340 -0.003 0.000 0.278 109 L C 0.734 177.566 176.870 -0.063 0.000 0.996 109 L CA 0.103 54.897 54.840 -0.077 0.000 0.825 109 L CB 1.311 43.324 42.059 -0.077 0.000 1.243 109 L HN 0.390 nan 8.230 nan 0.000 0.412 110 G N 3.449 112.215 108.800 -0.057 0.000 2.557 110 G HA2 0.596 4.554 3.960 -0.003 0.000 0.292 110 G HA3 0.596 4.554 3.960 -0.003 0.000 0.292 110 G C -1.340 173.529 174.900 -0.053 0.000 1.237 110 G CA -0.497 44.569 45.100 -0.056 0.000 0.978 110 G HN 0.473 nan 8.290 nan 0.000 0.498 111 V N 0.362 120.244 119.914 -0.053 0.000 2.623 111 V HA 0.325 4.444 4.120 -0.003 0.000 0.304 111 V C -0.198 175.863 176.094 -0.055 0.000 1.054 111 V CA -0.536 61.734 62.300 -0.049 0.000 0.882 111 V CB 1.621 33.420 31.823 -0.040 0.000 1.002 111 V HN 0.569 nan 8.190 nan 0.000 0.424 112 L N 3.662 124.849 121.223 -0.060 0.000 2.290 112 L HA 0.407 4.745 4.340 -0.003 0.000 0.284 112 L C 0.343 177.184 176.870 -0.048 0.000 1.078 112 L CA -0.274 54.525 54.840 -0.068 0.000 0.815 112 L CB 0.849 42.858 42.059 -0.084 0.000 1.162 112 L HN 0.604 nan 8.230 nan 0.000 0.435 113 D N 5.228 125.603 120.400 -0.043 0.000 2.401 113 D HA 0.073 4.711 4.640 -0.003 0.000 0.254 113 D C -1.525 174.761 176.300 -0.023 0.000 1.192 113 D CA -1.356 52.627 54.000 -0.028 0.000 0.885 113 D CB 1.681 42.467 40.800 -0.022 0.000 1.147 113 D HN 0.278 nan 8.370 nan 0.000 0.478 114 P HA -0.038 nan 4.420 nan 0.000 0.222 114 P C -0.009 177.289 177.300 -0.003 0.000 1.147 114 P CA 0.478 63.571 63.100 -0.011 0.000 0.790 114 P CB 0.263 31.958 31.700 -0.008 0.000 0.780 115 S N 0.635 116.334 115.700 -0.001 0.000 2.562 115 S HA 0.036 4.504 4.470 -0.003 0.000 0.281 115 S C 0.366 174.975 174.600 0.016 0.000 1.333 115 S CA -0.243 57.962 58.200 0.008 0.000 1.052 115 S CB 0.100 63.305 63.200 0.008 0.000 0.884 115 S HN 0.159 nan 8.310 nan 0.000 0.506 116 E N 1.526 121.740 120.200 0.024 0.000 2.373 116 E HA 0.015 4.363 4.350 -0.003 0.000 0.267 116 E C -0.552 176.079 176.600 0.051 0.000 1.032 116 E CA -0.296 56.126 56.400 0.037 0.000 0.889 116 E CB 0.467 30.190 29.700 0.039 0.000 0.984 116 E HN 0.411 nan 8.360 nan 0.000 0.425 117 D N 3.846 124.290 120.400 0.072 0.000 2.338 117 D HA 0.039 4.677 4.640 -0.003 0.000 0.255 117 D C -1.417 174.954 176.300 0.119 0.000 1.237 117 D CA -1.840 52.225 54.000 0.109 0.000 0.883 117 D CB 0.876 41.776 40.800 0.166 0.000 1.087 117 D HN 0.210 nan 8.370 nan 0.000 0.485 118 P HA 0.159 nan 4.420 nan 0.000 0.255 118 P C 0.045 177.388 177.300 0.072 0.000 1.248 118 P CA -0.211 62.939 63.100 0.083 0.000 0.807 118 P CB 0.272 32.014 31.700 0.071 0.000 1.150 119 A N 0.500 123.349 122.820 0.048 0.000 2.425 119 A HA 0.132 4.450 4.320 -0.003 0.000 0.242 119 A C -0.663 176.779 177.584 -0.236 0.000 1.077 119 A CA -0.149 51.818 52.037 -0.115 0.000 0.781 119 A CB -0.348 18.498 19.000 -0.257 0.000 1.020 119 A HN 0.214 nan 8.150 nan 0.000 0.494 120 Y N 1.132 121.195 120.300 -0.396 0.000 2.320 120 Y HA 0.538 5.087 4.550 -0.003 0.000 0.334 120 Y C -1.249 174.370 175.900 -0.468 0.000 1.055 120 Y CA 0.056 57.987 58.100 -0.282 0.000 1.143 120 Y CB 0.766 39.147 38.460 -0.131 0.000 1.193 120 Y HN 0.552 nan 8.280 nan 0.000 0.477 121 Y N 4.512 124.666 120.300 -0.245 0.000 2.425 121 Y HA 0.404 4.952 4.550 -0.003 0.000 0.344 121 Y C -0.715 175.064 175.900 -0.202 0.000 0.969 121 Y CA -1.147 56.899 58.100 -0.090 0.000 1.052 121 Y CB 1.602 40.065 38.460 0.005 0.000 1.215 121 Y HN 0.659 nan 8.280 nan 0.000 0.451 122 D N -0.949 119.546 120.400 0.158 0.000 2.610 122 D HA 0.473 5.111 4.640 -0.003 0.000 0.271 122 D C -1.316 175.229 176.300 0.409 0.000 1.174 122 D CA -0.684 53.406 54.000 0.150 0.000 0.949 122 D CB 1.260 42.117 40.800 0.095 0.000 1.430 122 D HN 0.398 nan 8.370 nan 0.000 0.467 123 H N -1.915 117.159 119.070 0.007 0.000 2.797 123 H HA 0.771 5.325 4.556 -0.003 0.000 0.372 123 H C -0.566 174.684 175.328 -0.130 0.000 1.168 123 H CA -0.893 55.142 56.048 -0.021 0.000 1.163 123 H CB 1.887 31.694 29.762 0.075 0.000 1.778 123 H HN 0.470 nan 8.280 nan 0.000 0.551 124 V N -0.863 118.938 119.914 -0.187 0.000 2.888 124 V HA 0.564 4.683 4.120 -0.003 0.000 0.309 124 V C -1.154 174.777 176.094 -0.270 0.000 1.114 124 V CA -0.830 61.308 62.300 -0.270 0.000 0.940 124 V CB 1.964 33.353 31.823 -0.724 0.000 1.021 124 V HN 0.786 nan 8.190 nan 0.000 0.426 125 H N 3.278 122.320 119.070 -0.046 0.000 2.539 125 H HA 0.864 5.419 4.556 -0.003 0.000 0.332 125 H C 0.014 175.411 175.328 0.116 0.000 1.031 125 H CA -0.145 55.935 56.048 0.054 0.000 1.206 125 H CB 1.871 31.647 29.762 0.024 0.000 1.446 125 H HN 1.026 nan 8.280 nan 0.000 0.496 126 V N 0.021 120.088 119.914 0.254 0.000 3.181 126 V HA 0.628 4.747 4.120 -0.003 0.000 0.308 126 V C -0.803 175.447 176.094 0.261 0.000 1.214 126 V CA -0.932 61.544 62.300 0.294 0.000 1.053 126 V CB 2.388 34.392 31.823 0.301 0.000 1.069 126 V HN 0.706 nan 8.190 nan 0.000 0.441 127 H N -0.217 118.934 119.070 0.134 0.000 2.670 127 H HA 0.918 5.472 4.556 -0.003 0.000 0.361 127 H C -0.204 175.176 175.328 0.087 0.000 1.169 127 H CA 0.245 56.359 56.048 0.111 0.000 1.198 127 H CB 2.047 31.871 29.762 0.103 0.000 1.700 127 H HN 1.111 nan 8.280 nan 0.000 0.542 128 T N -0.364 114.291 114.554 0.169 0.000 2.840 128 T HA 0.161 4.509 4.350 -0.003 0.000 0.317 128 T C -0.139 174.609 174.700 0.080 0.000 1.401 128 T CA -0.604 61.552 62.100 0.094 0.000 1.028 128 T CB 1.107 69.999 68.868 0.039 0.000 1.317 128 T HN 0.567 nan 8.240 nan 0.000 0.495 129 D N 0.652 121.078 120.400 0.043 0.000 2.197 129 D HA 0.158 4.796 4.640 -0.003 0.000 0.212 129 D C 0.437 176.754 176.300 0.028 0.000 0.963 129 D CA 1.124 55.159 54.000 0.058 0.000 0.864 129 D CB 0.399 41.220 40.800 0.036 0.000 1.009 129 D HN 0.277 nan 8.370 nan 0.000 0.479 130 V N 1.964 121.864 119.914 -0.023 0.000 2.482 130 V HA 0.259 4.377 4.120 -0.003 0.000 0.295 130 V C -0.805 175.256 176.094 -0.056 0.000 1.026 130 V CA -0.913 61.363 62.300 -0.040 0.000 0.856 130 V CB 2.391 34.168 31.823 -0.076 0.000 1.001 130 V HN -0.036 nan 8.190 nan 0.000 0.424 131 L N 7.035 128.230 121.223 -0.048 0.000 2.296 131 L HA 0.767 5.105 4.340 -0.003 0.000 0.286 131 L C -0.566 176.259 176.870 -0.076 0.000 1.023 131 L CA 0.050 54.847 54.840 -0.070 0.000 0.812 131 L CB 1.731 43.747 42.059 -0.070 0.000 1.223 131 L HN 0.428 nan 8.230 nan 0.000 0.421 132 V N 5.888 125.745 119.914 -0.096 0.000 2.417 132 V HA 0.458 4.576 4.120 -0.003 0.000 0.291 132 V C -0.337 175.695 176.094 -0.103 0.000 1.024 132 V CA -0.717 61.526 62.300 -0.095 0.000 0.861 132 V CB 1.690 33.450 31.823 -0.105 0.000 0.985 132 V HN 0.529 nan 8.190 nan 0.000 0.436 133 V N 4.056 123.911 119.914 -0.099 0.000 2.333 133 V HA 0.882 5.000 4.120 -0.003 0.000 0.274 133 V C 0.583 176.613 176.094 -0.107 0.000 1.028 133 V CA 0.240 62.472 62.300 -0.113 0.000 0.851 133 V CB 0.564 32.309 31.823 -0.131 0.000 1.000 133 V HN 1.299 nan 8.190 nan 0.000 0.456 134 G N 4.021 112.765 108.800 -0.092 0.000 3.226 134 G HA2 0.327 4.285 3.960 -0.003 0.000 0.685 134 G HA3 0.327 4.285 3.960 -0.003 0.000 0.685 134 G C -0.224 174.640 174.900 -0.060 0.000 1.207 134 G CA -0.284 44.772 45.100 -0.074 0.000 0.877 134 G HN 1.415 nan 8.290 nan 0.000 0.585 135 A N 1.494 124.293 122.820 -0.035 0.000 2.827 135 A HA 0.782 5.101 4.320 -0.003 0.000 0.300 135 A C 1.325 178.907 177.584 -0.002 0.000 1.237 135 A CA 1.098 53.116 52.037 -0.031 0.000 0.964 135 A CB -0.190 18.811 19.000 0.002 0.000 1.143 135 A HN 2.091 nan 8.150 nan 0.000 0.554 136 G N 0.116 108.913 108.800 -0.005 0.000 2.525 136 G HA2 0.452 4.410 3.960 -0.003 0.000 0.287 136 G HA3 0.452 4.410 3.960 -0.003 0.000 0.287 136 G C -0.807 174.117 174.900 0.040 0.000 1.350 136 G CA -0.855 44.250 45.100 0.009 0.000 1.039 136 G HN 0.096 nan 8.290 nan 0.000 0.513 137 P HA -0.188 nan 4.420 nan 0.000 0.216 137 P C 1.838 179.160 177.300 0.036 0.000 1.153 137 P CA 2.291 65.413 63.100 0.037 0.000 0.858 137 P CB 0.034 31.673 31.700 -0.102 0.000 0.789 138 A N 0.410 123.221 122.820 -0.014 0.000 1.873 138 A HA -0.012 4.306 4.320 -0.003 0.000 0.215 138 A C 2.693 180.272 177.584 -0.008 0.000 1.186 138 A CA 2.031 54.055 52.037 -0.021 0.000 0.616 138 A CB -1.912 17.060 19.000 -0.048 0.000 0.823 138 A HN 0.297 nan 8.150 nan 0.000 0.442 139 G N -0.362 108.426 108.800 -0.020 0.000 2.432 139 G HA2 -0.126 3.832 3.960 -0.003 0.000 0.219 139 G HA3 -0.126 3.832 3.960 -0.003 0.000 0.219 139 G C 1.555 176.430 174.900 -0.042 0.000 1.135 139 G CA 1.005 46.079 45.100 -0.043 0.000 0.767 139 G HN 0.414 nan 8.290 nan 0.000 0.550 140 L N 0.488 121.717 121.223 0.010 0.000 2.056 140 L HA -0.003 4.335 4.340 -0.003 0.000 0.207 140 L C 3.399 180.294 176.870 0.041 0.000 1.078 140 L CA 0.967 55.805 54.840 -0.004 0.000 0.749 140 L CB -0.350 41.767 42.059 0.096 0.000 0.901 140 L HN 0.296 nan 8.230 nan 0.000 0.433 141 A N -0.012 122.911 122.820 0.172 0.000 1.902 141 A HA -0.183 4.135 4.320 -0.003 0.000 0.217 141 A C 2.509 180.112 177.584 0.032 0.000 1.181 141 A CA 1.780 53.915 52.037 0.163 0.000 0.623 141 A CB -0.731 18.354 19.000 0.141 0.000 0.818 141 A HN 0.403 nan 8.150 nan 0.000 0.443 142 A N -0.178 122.637 122.820 -0.009 0.000 1.902 142 A HA 0.175 4.494 4.320 -0.003 0.000 0.217 142 A C 2.518 180.056 177.584 -0.078 0.000 1.181 142 A CA 2.097 54.103 52.037 -0.052 0.000 0.623 142 A CB -1.043 17.917 19.000 -0.067 0.000 0.818 142 A HN 1.055 nan 8.150 nan 0.000 0.443 143 A N -0.388 122.375 122.820 -0.094 0.000 1.902 143 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 143 A C 2.274 179.783 177.584 -0.125 0.000 1.181 143 A CA 1.747 53.707 52.037 -0.128 0.000 0.623 143 A CB -0.536 18.358 19.000 -0.177 0.000 0.818 143 A HN 0.543 nan 8.150 nan 0.000 0.443 144 R N -0.511 119.919 120.500 -0.116 0.000 2.080 144 R HA -0.162 4.176 4.340 -0.003 0.000 0.236 144 R C 2.023 178.276 176.300 -0.078 0.000 1.137 144 R CA 1.725 57.759 56.100 -0.111 0.000 0.943 144 R CB -0.246 29.990 30.300 -0.108 0.000 0.846 144 R HN 0.491 nan 8.270 nan 0.000 0.431 145 E N 0.278 120.445 120.200 -0.055 0.000 2.051 145 E HA -0.170 4.178 4.350 -0.003 0.000 0.192 145 E C 1.887 178.451 176.600 -0.060 0.000 0.991 145 E CA 1.388 57.761 56.400 -0.045 0.000 0.799 145 E CB -0.341 29.340 29.700 -0.032 0.000 0.748 145 E HN 0.462 nan 8.360 nan 0.000 0.449 146 A N 0.971 123.743 122.820 -0.081 0.000 1.933 146 A HA -0.166 4.152 4.320 -0.003 0.000 0.218 146 A C 2.420 179.934 177.584 -0.117 0.000 1.175 146 A CA 1.927 53.907 52.037 -0.096 0.000 0.628 146 A CB -0.599 18.334 19.000 -0.112 0.000 0.814 146 A HN 0.257 nan 8.150 nan 0.000 0.444 147 S N -0.349 115.283 115.700 -0.115 0.000 2.356 147 S HA -0.186 4.282 4.470 -0.003 0.000 0.223 147 S C 2.087 176.624 174.600 -0.104 0.000 1.032 147 S CA 1.456 59.584 58.200 -0.121 0.000 1.005 147 S CB -0.344 62.787 63.200 -0.115 0.000 0.867 147 S HN 0.619 nan 8.310 nan 0.000 0.449 148 R N 0.904 121.357 120.500 -0.079 0.000 2.285 148 R HA -0.004 4.334 4.340 -0.003 0.000 0.213 148 R C 2.398 178.677 176.300 -0.036 0.000 1.068 148 R CA 1.193 57.261 56.100 -0.054 0.000 1.004 148 R CB -0.310 29.966 30.300 -0.040 0.000 0.873 148 R HN 0.621 nan 8.270 nan 0.000 0.467 149 S N -1.055 114.618 115.700 -0.045 0.000 2.527 149 S HA 0.079 4.547 4.470 -0.003 0.000 0.222 149 S C 1.510 176.111 174.600 0.002 0.000 0.985 149 S CA 0.510 58.715 58.200 0.007 0.000 0.921 149 S CB 0.548 63.767 63.200 0.033 0.000 0.772 149 S HN 0.469 nan 8.310 nan 0.000 0.529 150 G N 0.610 109.335 108.800 -0.126 0.000 2.195 150 G HA2 -0.105 3.854 3.960 -0.003 0.000 0.246 150 G HA3 -0.105 3.854 3.960 -0.003 0.000 0.246 150 G C 0.297 174.818 174.900 -0.632 0.000 0.984 150 G CA -0.020 44.973 45.100 -0.179 0.000 0.633 150 G HN 1.254 nan 8.290 nan 0.000 0.525 151 A N 0.221 122.464 122.820 -0.962 0.000 2.332 151 A HA 0.713 5.031 4.320 -0.003 0.000 0.258 151 A C 0.807 178.042 177.584 -0.581 0.000 1.087 151 A CA -0.105 51.103 52.037 -1.381 0.000 0.802 151 A CB 0.302 18.738 19.000 -0.940 0.000 1.042 151 A HN 0.474 nan 8.150 nan 0.000 0.489 152 R N 0.115 120.371 120.500 -0.406 0.000 2.401 152 R HA 0.402 4.740 4.340 -0.003 0.000 0.299 152 R C -1.070 175.145 176.300 -0.143 0.000 1.064 152 R CA 0.018 56.011 56.100 -0.179 0.000 1.000 152 R CB 0.486 30.745 30.300 -0.069 0.000 0.973 152 R HN 0.432 nan 8.270 nan 0.000 0.438 153 V N 4.811 124.654 119.914 -0.117 0.000 2.876 153 V HA 0.476 4.594 4.120 -0.003 0.000 0.312 153 V C -0.203 175.837 176.094 -0.089 0.000 1.085 153 V CA -0.834 61.402 62.300 -0.107 0.000 0.945 153 V CB 2.278 34.025 31.823 -0.127 0.000 1.017 153 V HN 0.713 nan 8.190 nan 0.000 0.428 154 M N 4.669 124.212 119.600 -0.096 0.000 2.327 154 M HA 0.572 5.051 4.480 -0.003 0.000 0.298 154 M C -1.722 174.501 176.300 -0.128 0.000 1.065 154 M CA -0.605 54.626 55.300 -0.115 0.000 0.916 154 M CB 2.345 34.867 32.600 -0.129 0.000 1.630 154 M HN 0.493 nan 8.290 nan 0.000 0.442 155 L N 5.018 126.165 121.223 -0.126 0.000 2.343 155 L HA 0.677 5.015 4.340 -0.003 0.000 0.278 155 L C -2.023 174.804 176.870 -0.071 0.000 0.996 155 L CA -0.398 54.365 54.840 -0.129 0.000 0.831 155 L CB 1.142 43.065 42.059 -0.227 0.000 1.232 155 L HN 0.563 nan 8.230 nan 0.000 0.413 156 L N 4.667 125.829 121.223 -0.102 0.000 2.341 156 L HA 0.660 4.998 4.340 -0.003 0.000 0.278 156 L C -0.761 176.073 176.870 -0.060 0.000 1.005 156 L CA -0.244 54.535 54.840 -0.103 0.000 0.818 156 L CB 1.811 43.763 42.059 -0.180 0.000 1.259 156 L HN 0.638 nan 8.230 nan 0.000 0.418 157 D N -0.268 120.118 120.400 -0.024 0.000 2.934 157 D HA 0.259 4.897 4.640 -0.003 0.000 0.230 157 D C 0.494 176.795 176.300 0.001 0.000 1.204 157 D CA -0.374 53.623 54.000 -0.005 0.000 0.873 157 D CB 1.700 42.518 40.800 0.031 0.000 1.645 157 D HN 0.666 nan 8.370 nan 0.000 0.502 158 E N 2.602 122.816 120.200 0.022 0.000 2.347 158 E HA -0.009 4.339 4.350 -0.003 0.000 0.196 158 E C 0.070 176.693 176.600 0.038 0.000 1.008 158 E CA 0.286 56.714 56.400 0.047 0.000 0.852 158 E CB 0.347 30.108 29.700 0.102 0.000 0.783 158 E HN 0.291 nan 8.360 nan 0.000 0.505 159 R N 0.854 121.373 120.500 0.031 0.000 2.583 159 R HA 0.160 4.499 4.340 -0.003 0.000 0.268 159 R C -1.730 174.565 176.300 -0.009 0.000 1.101 159 R CA -1.720 54.395 56.100 0.025 0.000 1.180 159 R CB -0.028 30.289 30.300 0.029 0.000 1.128 159 R HN -0.084 nan 8.270 nan 0.000 0.568 160 P HA -0.185 nan 4.420 nan 0.000 0.216 160 P C -0.609 176.659 177.300 -0.054 0.000 1.150 160 P CA 1.517 64.587 63.100 -0.050 0.000 0.837 160 P CB 0.251 31.945 31.700 -0.010 0.000 0.786 161 E N -2.364 117.820 120.200 -0.026 0.000 2.433 161 E HA 0.665 5.013 4.350 -0.003 0.000 0.278 161 E C -1.093 175.519 176.600 0.020 0.000 0.976 161 E CA -1.369 55.021 56.400 -0.016 0.000 0.793 161 E CB 1.193 30.884 29.700 -0.016 0.000 1.311 161 E HN -0.149 nan 8.360 nan 0.000 0.460 162 A N 0.235 123.095 122.820 0.068 0.000 2.366 162 A HA 0.564 4.882 4.320 -0.003 0.000 0.250 162 A C 1.152 178.762 177.584 0.043 0.000 1.099 162 A CA 0.719 52.808 52.037 0.086 0.000 0.794 162 A CB -0.401 18.676 19.000 0.128 0.000 1.056 162 A HN 1.378 nan 8.150 nan 0.000 0.499 163 G N -1.366 107.460 108.800 0.043 0.000 2.481 163 G HA2 0.303 4.261 3.960 -0.003 0.000 0.200 163 G HA3 0.303 4.261 3.960 -0.003 0.000 0.200 163 G C 1.736 176.652 174.900 0.026 0.000 1.012 163 G CA 0.791 45.919 45.100 0.047 0.000 0.676 163 G HN 2.790 nan 8.290 nan 0.000 0.488 164 G N -0.223 108.585 108.800 0.014 0.000 2.611 164 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.301 164 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.301 164 G C 1.127 176.023 174.900 -0.007 0.000 1.233 164 G CA 1.804 46.907 45.100 0.005 0.000 0.993 164 G HN 1.376 nan 8.290 nan 0.000 0.553 165 T N 1.521 116.068 114.554 -0.013 0.000 3.007 165 T HA 0.070 4.418 4.350 -0.003 0.000 0.270 165 T C 2.481 177.160 174.700 -0.034 0.000 1.107 165 T CA 1.461 63.548 62.100 -0.023 0.000 1.118 165 T CB -0.171 68.677 68.868 -0.033 0.000 0.889 165 T HN 0.416 nan 8.240 nan 0.000 0.506 166 L N 0.474 121.680 121.223 -0.029 0.000 2.127 166 L HA -0.091 4.248 4.340 -0.003 0.000 0.211 166 L C 2.726 179.577 176.870 -0.032 0.000 1.089 166 L CA 0.959 55.782 54.840 -0.027 0.000 0.757 166 L CB -0.392 41.666 42.059 -0.001 0.000 0.899 166 L HN 0.074 nan 8.230 nan 0.000 0.434 167 R N 0.365 120.840 120.500 -0.041 0.000 2.237 167 R HA -0.089 4.249 4.340 -0.003 0.000 0.219 167 R C 1.598 177.838 176.300 -0.100 0.000 1.080 167 R CA 0.838 56.895 56.100 -0.073 0.000 0.995 167 R CB -0.346 29.898 30.300 -0.093 0.000 0.875 167 R HN 0.550 nan 8.270 nan 0.000 0.462 168 E N -0.112 120.041 120.200 -0.078 0.000 2.452 168 E HA 0.184 4.532 4.350 -0.003 0.000 0.197 168 E C 0.416 176.988 176.600 -0.046 0.000 1.022 168 E CA -0.010 56.345 56.400 -0.075 0.000 0.890 168 E CB 0.533 30.198 29.700 -0.059 0.000 0.918 168 E HN 0.166 nan 8.360 nan 0.000 0.496 169 A N 0.888 123.683 122.820 -0.042 0.000 2.298 169 A HA 0.683 5.001 4.320 -0.003 0.000 0.302 169 A C -0.052 177.515 177.584 -0.028 0.000 1.177 169 A CA -0.379 51.639 52.037 -0.032 0.000 0.912 169 A CB 1.561 20.538 19.000 -0.038 0.000 1.331 169 A HN 0.019 nan 8.150 nan 0.000 0.504 170 S N -3.257 112.429 115.700 -0.023 0.000 2.578 170 S HA 0.513 4.981 4.470 -0.003 0.000 0.272 170 S C 0.280 174.869 174.600 -0.018 0.000 1.145 170 S CA 0.661 58.850 58.200 -0.018 0.000 0.835 170 S CB 0.775 63.968 63.200 -0.011 0.000 1.104 170 S HN 2.725 nan 8.310 nan 0.000 0.458 171 G N 1.597 110.387 108.800 -0.017 0.000 2.189 171 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.267 171 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.267 171 G C -0.095 174.788 174.900 -0.028 0.000 0.975 171 G CA 0.866 45.955 45.100 -0.018 0.000 0.644 171 G HN 0.893 nan 8.290 nan 0.000 0.537 172 E N 0.339 120.516 120.200 -0.037 0.000 2.166 172 E HA 0.557 4.905 4.350 -0.003 0.000 0.275 172 E C 0.227 176.789 176.600 -0.064 0.000 0.941 172 E CA -0.608 55.759 56.400 -0.055 0.000 0.784 172 E CB 0.686 30.344 29.700 -0.069 0.000 1.115 172 E HN 0.457 nan 8.360 nan 0.000 0.399 173 Q N 2.926 122.681 119.800 -0.075 0.000 2.248 173 Q HA 0.569 4.908 4.340 -0.003 0.000 0.263 173 Q C -0.527 175.382 176.000 -0.152 0.000 1.007 173 Q CA -0.851 54.903 55.803 -0.081 0.000 0.877 173 Q CB 2.138 30.844 28.738 -0.053 0.000 1.315 173 Q HN 0.540 nan 8.270 nan 0.000 0.454 174 I N 1.319 121.776 120.570 -0.189 0.000 2.499 174 I HA 0.149 4.317 4.170 -0.003 0.000 0.288 174 I C -0.926 175.054 176.117 -0.229 0.000 1.048 174 I CA -0.499 60.573 61.300 -0.380 0.000 1.062 174 I CB 1.967 39.445 38.000 -0.870 0.000 1.238 174 I HN 0.622 nan 8.210 nan 0.000 0.426 175 D N 5.019 125.317 120.400 -0.170 0.000 2.772 175 D HA -0.188 4.451 4.640 -0.003 0.000 0.233 175 D C 1.126 177.432 176.300 0.010 0.000 1.143 175 D CA 1.704 55.689 54.000 -0.026 0.000 0.700 175 D CB -0.893 39.972 40.800 0.109 0.000 1.076 175 D HN 1.183 nan 8.370 nan 0.000 0.430 176 G N -0.530 108.257 108.800 -0.021 0.000 2.162 176 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.260 176 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.260 176 G C 0.481 175.387 174.900 0.011 0.000 0.976 176 G CA 0.759 45.856 45.100 -0.006 0.000 0.655 176 G HN 0.831 nan 8.290 nan 0.000 0.533 177 I N -3.540 117.046 120.570 0.026 0.000 3.042 177 I HA 0.682 4.850 4.170 -0.003 0.000 0.310 177 I C -0.696 175.445 176.117 0.041 0.000 1.117 177 I CA -1.579 59.748 61.300 0.045 0.000 1.003 177 I CB 1.553 39.604 38.000 0.084 0.000 1.228 177 I HN -0.195 nan 8.210 nan 0.000 0.443 178 D N 2.665 123.088 120.400 0.039 0.000 2.472 178 D HA 0.119 4.757 4.640 -0.003 0.000 0.237 178 D C 1.182 177.523 176.300 0.068 0.000 1.141 178 D CA 0.496 54.515 54.000 0.031 0.000 0.875 178 D CB 1.603 42.417 40.800 0.023 0.000 1.192 178 D HN 0.764 nan 8.370 nan 0.000 0.450 179 A N 2.849 125.694 122.820 0.042 0.000 1.927 179 A HA -0.237 4.081 4.320 -0.003 0.000 0.220 179 A C 2.107 179.777 177.584 0.143 0.000 1.185 179 A CA 2.554 54.639 52.037 0.079 0.000 0.639 179 A CB -0.722 18.287 19.000 0.014 0.000 0.820 179 A HN 0.654 nan 8.150 nan 0.000 0.451 180 A N -1.052 121.814 122.820 0.078 0.000 1.908 180 A HA -0.243 4.075 4.320 -0.003 0.000 0.218 180 A C 2.129 179.754 177.584 0.069 0.000 1.181 180 A CA 1.794 53.867 52.037 0.060 0.000 0.627 180 A CB -0.569 18.444 19.000 0.023 0.000 0.818 180 A HN 0.691 nan 8.150 nan 0.000 0.445 181 Q N -2.352 117.496 119.800 0.079 0.000 2.119 181 Q HA -0.203 4.136 4.340 -0.003 0.000 0.201 181 Q C 1.918 177.971 176.000 0.088 0.000 0.972 181 Q CA 1.489 57.331 55.803 0.064 0.000 0.847 181 Q CB -0.239 28.536 28.738 0.061 0.000 0.903 181 Q HN 0.882 nan 8.270 nan 0.000 0.433 182 W N 1.356 122.639 121.300 -0.028 0.000 2.355 182 W HA -0.160 4.498 4.660 -0.003 0.000 0.309 182 W C 1.614 178.113 176.519 -0.033 0.000 1.206 182 W CA 1.336 58.663 57.345 -0.031 0.000 1.284 182 W CB -0.167 29.272 29.460 -0.034 0.000 1.145 182 W HN 0.009 nan 8.180 nan 0.000 0.502 183 I N 0.489 121.133 120.570 0.124 0.000 2.208 183 I HA -0.339 3.829 4.170 -0.003 0.000 0.245 183 I C 2.096 178.122 176.117 -0.152 0.000 1.097 183 I CA 1.801 63.077 61.300 -0.040 0.000 1.363 183 I CB -0.698 37.353 38.000 0.085 0.000 1.051 183 I HN -0.069 nan 8.210 nan 0.000 0.413 184 D N 1.105 121.453 120.400 -0.086 0.000 2.117 184 D HA -0.140 4.498 4.640 -0.003 0.000 0.197 184 D C 2.293 178.509 176.300 -0.139 0.000 0.987 184 D CA 1.610 55.560 54.000 -0.084 0.000 0.829 184 D CB -0.210 40.563 40.800 -0.045 0.000 0.961 184 D HN 0.349 nan 8.370 nan 0.000 0.460 185 A N 0.739 123.447 122.820 -0.187 0.000 1.908 185 A HA -0.155 4.163 4.320 -0.003 0.000 0.218 185 A C 2.560 179.961 177.584 -0.305 0.000 1.181 185 A CA 1.409 53.314 52.037 -0.221 0.000 0.627 185 A CB -0.745 18.116 19.000 -0.232 0.000 0.818 185 A HN 0.154 nan 8.150 nan 0.000 0.445 186 V N 0.516 120.139 119.914 -0.485 0.000 2.307 186 V HA -0.227 3.892 4.120 -0.003 0.000 0.245 186 V C 2.995 178.908 176.094 -0.302 0.000 1.045 186 V CA 2.428 64.426 62.300 -0.503 0.000 1.024 186 V CB -1.505 29.835 31.823 -0.804 0.000 0.651 186 V HN 0.828 nan 8.190 nan 0.000 0.449 187 T N -1.582 112.835 114.554 -0.228 0.000 2.788 187 T HA -0.228 4.120 4.350 -0.003 0.000 0.268 187 T C 1.649 176.316 174.700 -0.056 0.000 1.044 187 T CA 1.714 63.756 62.100 -0.097 0.000 1.139 187 T CB -0.397 68.480 68.868 0.015 0.000 0.867 187 T HN 0.558 nan 8.240 nan 0.000 0.454 188 E N 1.021 121.170 120.200 -0.084 0.000 2.106 188 E HA -0.122 4.226 4.350 -0.003 0.000 0.192 188 E C 2.330 178.887 176.600 -0.071 0.000 0.984 188 E CA 1.138 57.500 56.400 -0.064 0.000 0.806 188 E CB -0.118 29.541 29.700 -0.068 0.000 0.750 188 E HN 0.725 nan 8.360 nan 0.000 0.458 189 E N 0.812 120.948 120.200 -0.107 0.000 2.106 189 E HA -0.180 4.168 4.350 -0.003 0.000 0.192 189 E C 2.082 178.629 176.600 -0.089 0.000 0.984 189 E CA 0.628 56.967 56.400 -0.101 0.000 0.806 189 E CB 0.047 29.667 29.700 -0.132 0.000 0.750 189 E HN 0.218 nan 8.360 nan 0.000 0.458 190 L N 0.385 121.547 121.223 -0.102 0.000 2.083 190 L HA -0.142 4.197 4.340 -0.003 0.000 0.209 190 L C 2.690 179.539 176.870 -0.035 0.000 1.083 190 L CA 0.995 55.783 54.840 -0.086 0.000 0.752 190 L CB -0.502 41.482 42.059 -0.125 0.000 0.899 190 L HN 0.207 nan 8.230 nan 0.000 0.433 191 A N 0.116 122.928 122.820 -0.014 0.000 1.933 191 A HA -0.109 4.210 4.320 -0.003 0.000 0.218 191 A C 2.420 179.996 177.584 -0.013 0.000 1.175 191 A CA 1.633 53.671 52.037 0.001 0.000 0.628 191 A CB -0.538 18.463 19.000 0.002 0.000 0.814 191 A HN 0.395 nan 8.150 nan 0.000 0.444 192 A N -0.709 122.095 122.820 -0.026 0.000 2.167 192 A HA 0.538 4.857 4.320 -0.003 0.000 0.214 192 A C 1.324 178.891 177.584 -0.028 0.000 1.151 192 A CA 0.727 52.748 52.037 -0.026 0.000 0.735 192 A CB -0.677 18.304 19.000 -0.032 0.000 0.802 192 A HN 0.958 nan 8.150 nan 0.000 0.467 193 A N 0.172 122.970 122.820 -0.036 0.000 2.396 193 A HA 0.391 4.709 4.320 -0.003 0.000 0.279 193 A C 0.769 178.334 177.584 -0.031 0.000 1.165 193 A CA 0.010 52.022 52.037 -0.042 0.000 0.824 193 A CB 0.082 19.046 19.000 -0.060 0.000 1.100 193 A HN 0.508 nan 8.150 nan 0.000 0.516 194 E N 1.360 121.544 120.200 -0.027 0.000 2.268 194 E HA -0.118 4.230 4.350 -0.003 0.000 0.195 194 E C 0.538 177.127 176.600 -0.018 0.000 0.995 194 E CA 0.954 57.344 56.400 -0.016 0.000 0.836 194 E CB 0.252 29.946 29.700 -0.010 0.000 0.763 194 E HN 0.707 nan 8.360 nan 0.000 0.491 195 E N 0.004 120.180 120.200 -0.040 0.000 2.499 195 E HA 0.103 4.452 4.350 -0.003 0.000 0.199 195 E C -0.641 175.923 176.600 -0.060 0.000 1.016 195 E CA 0.148 56.518 56.400 -0.051 0.000 0.933 195 E CB 1.274 30.921 29.700 -0.088 0.000 1.050 195 E HN -0.027 nan 8.360 nan 0.000 0.462 196 T N 0.812 115.336 114.554 -0.050 0.000 2.797 196 T HA 0.420 4.768 4.350 -0.003 0.000 0.279 196 T C -0.153 174.533 174.700 -0.024 0.000 0.991 196 T CA -0.333 61.735 62.100 -0.054 0.000 0.979 196 T CB 1.864 70.689 68.868 -0.071 0.000 0.943 196 T HN -0.210 nan 8.240 nan 0.000 0.444 197 T N 2.923 117.460 114.554 -0.028 0.000 2.791 197 T HA 0.307 4.655 4.350 -0.003 0.000 0.288 197 T C -0.713 173.982 174.700 -0.008 0.000 0.999 197 T CA -0.552 61.539 62.100 -0.015 0.000 0.952 197 T CB 0.391 69.240 68.868 -0.031 0.000 0.938 197 T HN 0.675 nan 8.240 nan 0.000 0.444 198 H N 4.328 123.334 119.070 -0.108 0.000 2.581 198 H HA 0.531 5.085 4.556 -0.003 0.000 0.308 198 H C -1.027 174.223 175.328 -0.129 0.000 1.040 198 H CA -0.974 55.002 56.048 -0.120 0.000 1.231 198 H CB 0.474 30.179 29.762 -0.094 0.000 1.396 198 H HN 0.406 nan 8.280 nan 0.000 0.467 199 L N 5.458 126.662 121.223 -0.032 0.000 2.294 199 L HA 0.279 4.617 4.340 -0.003 0.000 0.283 199 L C -0.205 176.577 176.870 -0.147 0.000 1.015 199 L CA -0.765 53.963 54.840 -0.187 0.000 0.831 199 L CB 1.540 43.400 42.059 -0.333 0.000 1.217 199 L HN 0.575 nan 8.230 nan 0.000 0.420 200 Q N 2.180 121.854 119.800 -0.211 0.000 2.169 200 Q HA 0.408 4.746 4.340 -0.003 0.000 0.234 200 Q C 0.250 176.192 176.000 -0.097 0.000 0.980 200 Q CA -0.597 55.123 55.803 -0.139 0.000 0.941 200 Q CB 1.209 29.836 28.738 -0.184 0.000 1.199 200 Q HN 0.387 nan 8.270 nan 0.000 0.496 201 R N -0.887 119.572 120.500 -0.068 0.000 3.627 201 R HA -0.133 4.206 4.340 -0.003 0.000 0.281 201 R C -0.651 175.646 176.300 -0.006 0.000 1.140 201 R CA 0.845 56.918 56.100 -0.046 0.000 0.761 201 R CB -2.047 28.193 30.300 -0.101 0.000 1.181 201 R HN 0.438 nan 8.270 nan 0.000 0.472 202 T N 0.153 114.697 114.554 -0.016 0.000 2.812 202 T HA 0.336 4.684 4.350 -0.003 0.000 0.282 202 T C -0.072 174.638 174.700 0.017 0.000 0.990 202 T CA -0.473 61.621 62.100 -0.010 0.000 0.960 202 T CB 2.103 70.901 68.868 -0.117 0.000 0.948 202 T HN -0.038 nan 8.240 nan 0.000 0.438 203 T N 2.737 117.345 114.554 0.090 0.000 2.758 203 T HA 0.372 4.720 4.350 -0.003 0.000 0.285 203 T C 0.267 175.063 174.700 0.159 0.000 0.981 203 T CA -0.527 61.659 62.100 0.143 0.000 0.965 203 T CB 0.964 69.971 68.868 0.231 0.000 0.927 203 T HN 0.344 nan 8.240 nan 0.000 0.448 204 V N 5.977 125.915 119.914 0.040 0.000 2.387 204 V HA 0.145 4.263 4.120 -0.003 0.000 0.260 204 V C 0.680 176.801 176.094 0.046 0.000 1.054 204 V CA -0.003 62.261 62.300 -0.059 0.000 0.967 204 V CB -0.795 30.943 31.823 -0.141 0.000 1.036 204 V HN 0.960 nan 8.190 nan 0.000 0.481 205 F N 2.410 122.382 119.950 0.037 0.000 2.720 205 F HA 0.702 5.228 4.527 -0.003 0.000 0.301 205 F C 0.878 176.719 175.800 0.068 0.000 1.103 205 F CA -0.219 57.847 58.000 0.109 0.000 1.291 205 F CB 0.213 39.287 39.000 0.122 0.000 1.086 205 F HN 0.391 nan 8.300 nan 0.000 0.592 206 G N 0.167 108.730 108.800 -0.395 0.000 2.719 206 G HA2 0.455 4.413 3.960 -0.003 0.000 0.298 206 G HA3 0.455 4.413 3.960 -0.003 0.000 0.298 206 G C -1.782 172.803 174.900 -0.526 0.000 1.433 206 G CA -0.727 44.142 45.100 -0.385 0.000 1.034 206 G HN 0.127 nan 8.290 nan 0.000 0.517 207 S N 0.990 116.266 115.700 -0.707 0.000 2.659 207 S HA 0.782 5.250 4.470 -0.003 0.000 0.312 207 S C -1.135 173.078 174.600 -0.645 0.000 1.114 207 S CA -0.574 57.343 58.200 -0.471 0.000 1.063 207 S CB 0.319 63.360 63.200 -0.264 0.000 0.996 207 S HN 0.438 nan 8.310 nan 0.000 0.478 208 Y N 1.290 121.612 120.300 0.037 0.000 2.686 208 Y HA 0.423 4.971 4.550 -0.003 0.000 0.330 208 Y C 0.263 176.204 175.900 0.068 0.000 1.082 208 Y CA -1.341 56.801 58.100 0.070 0.000 1.158 208 Y CB 0.331 38.870 38.460 0.133 0.000 1.333 208 Y HN 0.509 nan 8.280 nan 0.000 0.519 209 D N 0.589 121.125 120.400 0.227 0.000 2.667 209 D HA 0.253 4.891 4.640 -0.003 0.000 0.226 209 D C 0.309 176.678 176.300 0.115 0.000 1.137 209 D CA 1.876 55.947 54.000 0.117 0.000 0.855 209 D CB 0.107 40.950 40.800 0.073 0.000 1.194 209 D HN 0.867 nan 8.370 nan 0.000 0.492 210 A N 3.336 126.200 122.820 0.073 0.000 2.704 210 A HA -0.385 3.933 4.320 -0.003 0.000 0.299 210 A C 0.626 178.271 177.584 0.101 0.000 1.507 210 A CA 1.062 53.142 52.037 0.072 0.000 0.776 210 A CB -2.229 16.807 19.000 0.061 0.000 1.027 210 A HN 0.906 nan 8.150 nan 0.000 0.475 211 N N -2.920 115.835 118.700 0.091 0.000 2.725 211 N HA -0.258 4.481 4.740 -0.003 0.000 0.251 211 N C -0.396 175.189 175.510 0.124 0.000 1.031 211 N CA 1.082 54.179 53.050 0.079 0.000 0.720 211 N CB -1.020 37.499 38.487 0.052 0.000 0.930 211 N HN 0.875 nan 8.380 nan 0.000 0.543 212 Y N 1.121 121.449 120.300 0.045 0.000 2.404 212 Y HA 0.486 5.034 4.550 -0.003 0.000 0.344 212 Y C -0.227 175.729 175.900 0.093 0.000 0.970 212 Y CA -0.616 57.523 58.100 0.065 0.000 1.180 212 Y CB 0.414 38.934 38.460 0.099 0.000 1.138 212 Y HN 0.064 nan 8.280 nan 0.000 0.510 213 I N 5.959 126.362 120.570 -0.278 0.000 2.460 213 I HA 0.274 4.442 4.170 -0.003 0.000 0.298 213 I C -1.053 174.801 176.117 -0.439 0.000 0.989 213 I CA -0.644 60.494 61.300 -0.270 0.000 1.173 213 I CB 1.496 39.363 38.000 -0.222 0.000 1.338 213 I HN 0.426 nan 8.210 nan 0.000 0.456 214 L N 5.482 126.432 121.223 -0.456 0.000 2.313 214 L HA 0.794 5.132 4.340 -0.003 0.000 0.283 214 L C -0.277 176.063 176.870 -0.884 0.000 1.013 214 L CA -0.423 53.975 54.840 -0.735 0.000 0.816 214 L CB 1.097 42.633 42.059 -0.871 0.000 1.236 214 L HN 0.729 nan 8.230 nan 0.000 0.419 215 A N 3.315 125.871 122.820 -0.440 0.000 2.435 215 A HA 0.896 5.214 4.320 -0.003 0.000 0.304 215 A C -0.808 176.946 177.584 0.283 0.000 1.064 215 A CA -0.513 51.475 52.037 -0.081 0.000 0.727 215 A CB 1.862 20.802 19.000 -0.099 0.000 1.284 215 A HN 0.730 nan 8.150 nan 0.000 0.415 216 A N 1.339 124.405 122.820 0.410 0.000 2.267 216 A HA 0.626 4.944 4.320 -0.003 0.000 0.315 216 A C -0.301 177.425 177.584 0.237 0.000 1.297 216 A CA -0.426 51.811 52.037 0.333 0.000 0.865 216 A CB 0.487 19.627 19.000 0.233 0.000 1.165 216 A HN 0.865 nan 8.150 nan 0.000 0.513 217 Q N 2.300 122.275 119.800 0.290 0.000 2.278 217 Q HA 0.462 4.800 4.340 -0.003 0.000 0.257 217 Q C -0.864 175.263 176.000 0.211 0.000 0.928 217 Q CA -0.753 55.188 55.803 0.230 0.000 0.932 217 Q CB 0.724 29.675 28.738 0.355 0.000 1.221 217 Q HN 0.587 nan 8.270 nan 0.000 0.434 218 R N 3.157 123.745 120.500 0.147 0.000 2.235 218 R HA 0.211 4.549 4.340 -0.003 0.000 0.338 218 R C 0.603 176.994 176.300 0.151 0.000 1.087 218 R CA 0.059 56.249 56.100 0.150 0.000 0.948 218 R CB 0.420 30.786 30.300 0.111 0.000 1.099 218 R HN 0.704 nan 8.270 nan 0.000 0.483 219 R N 0.186 120.801 120.500 0.192 0.000 2.066 219 R HA -0.008 4.330 4.340 -0.003 0.000 0.224 219 R C 0.862 177.321 176.300 0.266 0.000 1.122 219 R CA 1.610 57.832 56.100 0.203 0.000 0.974 219 R CB 0.274 30.684 30.300 0.184 0.000 0.871 219 R HN 0.563 nan 8.270 nan 0.000 0.435 220 T N -2.609 112.080 114.554 0.225 0.000 3.231 220 T HA 0.204 4.552 4.350 -0.003 0.000 0.292 220 T C 1.368 176.178 174.700 0.184 0.000 1.001 220 T CA -0.304 61.900 62.100 0.173 0.000 0.920 220 T CB 0.508 69.427 68.868 0.084 0.000 1.140 220 T HN -0.130 nan 8.240 nan 0.000 0.525 221 V N 2.616 122.688 119.914 0.264 0.000 2.490 221 V HA -0.116 4.002 4.120 -0.003 0.000 0.250 221 V C 2.532 178.753 176.094 0.212 0.000 1.061 221 V CA 1.846 64.269 62.300 0.206 0.000 1.064 221 V CB -0.886 31.045 31.823 0.181 0.000 0.670 221 V HN 0.840 nan 8.190 nan 0.000 0.461 222 H N -0.911 118.204 119.070 0.074 0.000 2.524 222 H HA 0.294 4.849 4.556 -0.003 0.000 0.280 222 H C 0.357 175.726 175.328 0.069 0.000 1.018 222 H CA -0.404 55.684 56.048 0.068 0.000 1.165 222 H CB -0.593 29.208 29.762 0.065 0.000 1.411 222 H HN 0.341 nan 8.280 nan 0.000 0.569 223 L N 1.330 122.401 121.223 -0.253 0.000 2.307 223 L HA 0.149 4.488 4.340 -0.003 0.000 0.282 223 L C 0.799 177.652 176.870 -0.027 0.000 1.051 223 L CA -0.685 54.021 54.840 -0.223 0.000 0.804 223 L CB 1.520 43.448 42.059 -0.218 0.000 1.197 223 L HN -0.058 nan 8.230 nan 0.000 0.431 224 D N 2.360 122.749 120.400 -0.018 0.000 2.097 224 D HA -0.056 4.582 4.640 -0.003 0.000 0.195 224 D C 1.086 177.438 176.300 0.087 0.000 0.989 224 D CA 1.375 55.399 54.000 0.039 0.000 0.827 224 D CB 0.199 41.010 40.800 0.018 0.000 0.966 224 D HN 0.732 nan 8.370 nan 0.000 0.456 225 G N 1.192 109.993 108.800 0.002 0.000 3.846 225 G HA2 0.303 4.261 3.960 -0.003 0.000 0.281 225 G HA3 0.303 4.261 3.960 -0.003 0.000 0.281 225 G C -2.518 172.293 174.900 -0.149 0.000 1.384 225 G CA -0.773 44.273 45.100 -0.090 0.000 0.641 225 G HN -0.062 nan 8.290 nan 0.000 0.458 226 P HA 0.363 nan 4.420 nan 0.000 0.271 226 P C 0.268 177.477 177.300 -0.151 0.000 1.238 226 P CA 0.108 63.133 63.100 -0.126 0.000 0.794 226 P CB 1.467 33.116 31.700 -0.086 0.000 0.959 227 S N -1.899 113.737 115.700 -0.106 0.000 2.810 227 S HA 0.760 5.228 4.470 -0.003 0.000 0.315 227 S C -0.029 174.517 174.600 -0.091 0.000 1.138 227 S CA -0.138 58.001 58.200 -0.102 0.000 0.889 227 S CB 0.971 64.124 63.200 -0.079 0.000 1.236 227 S HN 0.997 nan 8.310 nan 0.000 0.548 228 G N 0.461 109.207 108.800 -0.090 0.000 3.402 228 G HA2 -0.067 3.892 3.960 -0.003 0.000 0.686 228 G HA3 -0.067 3.892 3.960 -0.003 0.000 0.686 228 G C -0.712 174.108 174.900 -0.135 0.000 0.983 228 G CA -0.275 44.766 45.100 -0.098 0.000 0.821 228 G HN 0.915 nan 8.290 nan 0.000 0.500 229 Q N 0.887 120.600 119.800 -0.145 0.000 2.288 229 Q HA 0.525 4.863 4.340 -0.003 0.000 0.254 229 Q C 1.457 177.257 176.000 -0.335 0.000 0.932 229 Q CA 0.957 56.640 55.803 -0.200 0.000 0.902 229 Q CB 0.679 29.333 28.738 -0.139 0.000 1.203 229 Q HN 2.375 nan 8.270 nan 0.000 0.415 230 G N 2.037 110.448 108.800 -0.649 0.000 2.175 230 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.244 230 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.244 230 G C -0.334 174.059 174.900 -0.845 0.000 0.982 230 G CA 0.050 44.467 45.100 -1.137 0.000 0.641 230 G HN 0.550 nan 8.290 nan 0.000 0.527 231 V N 2.798 122.443 119.914 -0.449 0.000 2.334 231 V HA 0.546 4.664 4.120 -0.003 0.000 0.267 231 V C 1.083 177.186 176.094 0.014 0.000 1.040 231 V CA -0.156 62.060 62.300 -0.140 0.000 0.866 231 V CB 1.031 32.804 31.823 -0.084 0.000 1.019 231 V HN 0.882 nan 8.190 nan 0.000 0.468 232 S N 4.959 120.793 115.700 0.225 0.000 2.549 232 S HA 0.132 4.600 4.470 -0.003 0.000 0.286 232 S C 1.119 175.788 174.600 0.115 0.000 1.314 232 S CA -0.259 58.108 58.200 0.278 0.000 1.062 232 S CB 0.976 64.347 63.200 0.285 0.000 0.865 232 S HN 0.764 nan 8.310 nan 0.000 0.498 233 R N 1.825 122.320 120.500 -0.008 0.000 2.075 233 R HA 0.018 4.356 4.340 -0.003 0.000 0.232 233 R C 0.079 176.473 176.300 0.158 0.000 1.126 233 R CA 1.148 57.265 56.100 0.028 0.000 0.963 233 R CB 0.093 30.332 30.300 -0.100 0.000 0.858 233 R HN 0.860 nan 8.270 nan 0.000 0.435 234 E N -0.237 120.111 120.200 0.246 0.000 2.293 234 E HA 0.270 4.618 4.350 -0.003 0.000 0.270 234 E C -1.371 175.420 176.600 0.318 0.000 0.879 234 E CA -0.852 55.741 56.400 0.321 0.000 0.756 234 E CB 2.545 32.476 29.700 0.386 0.000 1.208 234 E HN 0.044 nan 8.360 nan 0.000 0.428 235 R N 3.253 123.913 120.500 0.266 0.000 2.513 235 R HA 0.365 4.703 4.340 -0.003 0.000 0.301 235 R C -1.050 175.354 176.300 0.174 0.000 0.968 235 R CA -0.614 55.606 56.100 0.199 0.000 0.872 235 R CB 0.785 31.178 30.300 0.154 0.000 1.177 235 R HN 0.402 nan 8.270 nan 0.000 0.444 236 I N 4.748 125.305 120.570 -0.022 0.000 2.312 236 I HA 0.192 4.360 4.170 -0.003 0.000 0.291 236 I C -0.496 175.527 176.117 -0.158 0.000 1.031 236 I CA -0.640 60.577 61.300 -0.137 0.000 1.293 236 I CB 0.350 37.982 38.000 -0.613 0.000 1.403 236 I HN 0.581 nan 8.210 nan 0.000 0.484 237 W N 5.448 126.643 121.300 -0.175 0.000 2.365 237 W HA 0.348 5.006 4.660 -0.003 0.000 0.316 237 W C 0.062 176.353 176.519 -0.381 0.000 1.164 237 W CA -0.164 57.086 57.345 -0.159 0.000 1.204 237 W CB 0.413 29.806 29.460 -0.111 0.000 1.213 237 W HN 0.375 nan 8.180 nan 0.000 0.539 238 H N 3.503 122.462 119.070 -0.186 0.000 2.685 238 H HA 0.470 5.025 4.556 -0.003 0.000 0.307 238 H C -0.516 174.637 175.328 -0.292 0.000 1.017 238 H CA -0.557 55.260 56.048 -0.386 0.000 1.237 238 H CB 0.512 30.036 29.762 -0.395 0.000 1.409 238 H HN 0.184 nan 8.280 nan 0.000 0.488 239 I N 2.719 123.110 120.570 -0.299 0.000 2.382 239 I HA 0.290 4.458 4.170 -0.003 0.000 0.286 239 I C 0.021 175.998 176.117 -0.234 0.000 1.002 239 I CA -0.871 60.328 61.300 -0.167 0.000 1.135 239 I CB 1.276 39.222 38.000 -0.090 0.000 1.288 239 I HN 0.274 nan 8.210 nan 0.000 0.448 240 R N 5.969 126.352 120.500 -0.194 0.000 2.230 240 R HA 0.640 4.978 4.340 -0.003 0.000 0.337 240 R C -0.806 175.451 176.300 -0.072 0.000 1.063 240 R CA -0.202 55.815 56.100 -0.138 0.000 0.935 240 R CB 0.595 30.679 30.300 -0.361 0.000 1.121 240 R HN 0.709 nan 8.270 nan 0.000 0.486 241 A N 3.943 126.757 122.820 -0.009 0.000 2.312 241 A HA 0.350 4.668 4.320 -0.003 0.000 0.326 241 A C 0.325 177.944 177.584 0.059 0.000 1.172 241 A CA -0.697 51.355 52.037 0.025 0.000 0.821 241 A CB 0.979 19.980 19.000 0.001 0.000 1.166 241 A HN 0.858 nan 8.150 nan 0.000 0.493 242 K N 0.214 120.663 120.400 0.082 0.000 2.025 242 K HA -0.049 4.269 4.320 -0.003 0.000 0.207 242 K C 0.092 176.746 176.600 0.091 0.000 1.049 242 K CA 1.172 57.516 56.287 0.095 0.000 0.933 242 K CB 0.009 32.578 32.500 0.115 0.000 0.714 242 K HN 0.695 nan 8.250 nan 0.000 0.438 243 Q N 0.191 120.045 119.800 0.089 0.000 2.372 243 Q HA 0.378 4.716 4.340 -0.003 0.000 0.273 243 Q C -1.265 174.789 176.000 0.090 0.000 1.078 243 Q CA -0.583 55.295 55.803 0.125 0.000 0.806 243 Q CB 2.659 31.488 28.738 0.152 0.000 1.332 243 Q HN -0.141 nan 8.270 nan 0.000 0.435 244 V N 1.534 121.526 119.914 0.129 0.000 2.540 244 V HA 0.505 4.623 4.120 -0.003 0.000 0.302 244 V C -0.400 175.774 176.094 0.132 0.000 1.035 244 V CA -0.802 61.542 62.300 0.073 0.000 0.873 244 V CB 2.202 34.040 31.823 0.024 0.000 0.992 244 V HN 0.512 nan 8.190 nan 0.000 0.428 245 V N 6.107 126.045 119.914 0.041 0.000 2.357 245 V HA 0.448 4.566 4.120 -0.003 0.000 0.284 245 V C -0.197 175.889 176.094 -0.013 0.000 1.018 245 V CA -0.436 61.883 62.300 0.031 0.000 0.841 245 V CB 1.530 33.324 31.823 -0.047 0.000 0.991 245 V HN 0.624 nan 8.190 nan 0.000 0.437 246 L N 4.585 125.804 121.223 -0.007 0.000 2.264 246 L HA 0.732 5.071 4.340 -0.003 0.000 0.289 246 L C 0.478 177.310 176.870 -0.064 0.000 1.044 246 L CA -0.255 54.554 54.840 -0.052 0.000 0.807 246 L CB 1.458 43.487 42.059 -0.051 0.000 1.192 246 L HN 0.741 nan 8.230 nan 0.000 0.425 247 A N 1.045 123.815 122.820 -0.083 0.000 3.365 247 A HA 0.269 4.588 4.320 -0.003 0.000 0.258 247 A C 0.786 178.311 177.584 -0.099 0.000 0.964 247 A CA -0.270 51.718 52.037 -0.081 0.000 0.988 247 A CB -0.072 18.888 19.000 -0.066 0.000 1.193 247 A HN 0.735 nan 8.150 nan 0.000 0.508 248 T N -2.236 112.242 114.554 -0.127 0.000 3.148 248 T HA 0.486 4.834 4.350 -0.003 0.000 0.253 248 T C 1.143 175.752 174.700 -0.151 0.000 1.134 248 T CA 1.183 63.184 62.100 -0.166 0.000 1.051 248 T CB -0.546 68.178 68.868 -0.239 0.000 0.959 248 T HN 2.228 nan 8.240 nan 0.000 0.525 249 A N 0.866 123.617 122.820 -0.114 0.000 6.086 249 A HA 0.308 4.626 4.320 -0.003 0.000 0.252 249 A C 0.277 177.804 177.584 -0.096 0.000 2.197 249 A CA -0.125 51.854 52.037 -0.096 0.000 0.706 249 A CB -1.528 17.430 19.000 -0.069 0.000 1.023 249 A HN 2.013 nan 8.150 nan 0.000 0.358 250 A N -1.230 121.562 122.820 -0.047 0.000 2.455 250 A HA 0.711 5.030 4.320 -0.003 0.000 0.300 250 A C -0.592 177.110 177.584 0.197 0.000 1.040 250 A CA 0.113 52.175 52.037 0.043 0.000 0.697 250 A CB 0.787 19.851 19.000 0.107 0.000 1.265 250 A HN 1.227 nan 8.150 nan 0.000 0.407 251 H N 0.676 119.908 119.070 0.270 0.000 2.525 251 H HA 0.310 4.864 4.556 -0.003 0.000 0.339 251 H C 0.257 175.768 175.328 0.305 0.000 1.109 251 H CA -0.172 56.039 56.048 0.271 0.000 1.352 251 H CB 1.174 31.081 29.762 0.241 0.000 1.461 251 H HN 0.840 nan 8.280 nan 0.000 0.533 252 E N 2.069 122.486 120.200 0.363 0.000 2.404 252 E HA 0.072 4.421 4.350 -0.003 0.000 0.261 252 E C -0.379 176.219 176.600 -0.003 0.000 1.074 252 E CA -0.433 55.959 56.400 -0.014 0.000 0.917 252 E CB 0.806 30.485 29.700 -0.036 0.000 0.965 252 E HN 0.466 nan 8.360 nan 0.000 0.433 253 R N 3.398 123.804 120.500 -0.157 0.000 2.637 253 R HA 0.441 4.779 4.340 -0.003 0.000 0.291 253 R C -2.361 173.964 176.300 0.041 0.000 0.963 253 R CA -2.101 54.015 56.100 0.026 0.000 0.901 253 R CB 1.453 31.784 30.300 0.051 0.000 1.160 253 R HN 0.456 nan 8.270 nan 0.000 0.457 254 P HA 0.274 nan 4.420 nan 0.000 0.281 254 P C -0.758 176.666 177.300 0.206 0.000 1.281 254 P CA -0.397 62.838 63.100 0.225 0.000 0.811 254 P CB 1.278 33.197 31.700 0.366 0.000 1.154 255 I N -0.041 120.686 120.570 0.261 0.000 2.404 255 I HA 0.209 4.377 4.170 -0.003 0.000 0.293 255 I C -0.025 176.273 176.117 0.302 0.000 0.992 255 I CA -1.251 60.231 61.300 0.302 0.000 1.149 255 I CB 2.100 40.321 38.000 0.369 0.000 1.315 255 I HN -0.042 nan 8.210 nan 0.000 0.446 256 V N 7.605 127.684 119.914 0.275 0.000 2.370 256 V HA 0.251 4.369 4.120 -0.003 0.000 0.257 256 V C -0.324 175.950 176.094 0.300 0.000 1.064 256 V CA 0.006 62.435 62.300 0.214 0.000 0.975 256 V CB -0.801 31.183 31.823 0.267 0.000 1.067 256 V HN 0.553 nan 8.190 nan 0.000 0.485 257 F N 1.242 121.207 119.950 0.026 0.000 2.685 257 F HA 0.662 5.187 4.527 -0.003 0.000 0.315 257 F C -0.284 175.171 175.800 -0.575 0.000 1.126 257 F CA -1.707 56.166 58.000 -0.212 0.000 0.950 257 F CB 1.393 40.367 39.000 -0.043 0.000 1.360 257 F HN 0.278 nan 8.300 nan 0.000 0.469 258 E N 1.001 120.867 120.200 -0.556 0.000 2.415 258 E HA 0.122 4.470 4.350 -0.003 0.000 0.263 258 E C -0.473 176.135 176.600 0.012 0.000 0.995 258 E CA 0.609 56.813 56.400 -0.327 0.000 0.915 258 E CB -0.196 29.499 29.700 -0.008 0.000 0.951 258 E HN 0.783 nan 8.360 nan 0.000 0.449 259 N N 3.070 121.800 118.700 0.050 0.000 2.727 259 N HA -0.229 4.509 4.740 -0.003 0.000 0.251 259 N C -0.651 174.864 175.510 0.008 0.000 1.040 259 N CA 0.561 53.668 53.050 0.095 0.000 0.712 259 N CB -0.788 37.735 38.487 0.060 0.000 0.912 259 N HN 0.545 nan 8.380 nan 0.000 0.545 260 N N 0.015 118.573 118.700 -0.235 0.000 2.295 260 N HA -0.004 4.735 4.740 -0.003 0.000 0.221 260 N C 0.065 175.477 175.510 -0.163 0.000 1.129 260 N CA 0.145 52.873 53.050 -0.536 0.000 0.836 260 N CB 0.288 37.906 38.487 -1.447 0.000 1.040 260 N HN 0.481 nan 8.380 nan 0.000 0.494 261 D N -0.765 119.582 120.400 -0.089 0.000 2.469 261 D HA 0.042 4.680 4.640 -0.003 0.000 0.213 261 D C 0.025 176.250 176.300 -0.126 0.000 1.135 261 D CA -0.343 53.531 54.000 -0.211 0.000 0.834 261 D CB 0.178 40.618 40.800 -0.600 0.000 1.009 261 D HN 0.022 nan 8.370 nan 0.000 0.507 262 R N 1.345 121.826 120.500 -0.032 0.000 2.590 262 R HA 0.265 4.603 4.340 -0.003 0.000 0.274 262 R C -2.359 173.952 176.300 0.019 0.000 1.061 262 R CA -1.255 54.838 56.100 -0.011 0.000 1.081 262 R CB -0.148 30.163 30.300 0.019 0.000 0.984 262 R HN 0.011 nan 8.270 nan 0.000 0.448 263 P HA -0.060 nan 4.420 nan 0.000 0.262 263 P C 0.564 177.880 177.300 0.026 0.000 1.182 263 P CA 1.067 64.174 63.100 0.011 0.000 0.761 263 P CB 0.679 32.371 31.700 -0.013 0.000 0.795 264 G N 3.012 111.835 108.800 0.038 0.000 2.307 264 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.210 264 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.210 264 G C 0.116 175.049 174.900 0.054 0.000 1.005 264 G CA -0.516 44.603 45.100 0.031 0.000 0.634 264 G HN 0.475 nan 8.290 nan 0.000 0.496 265 I N 2.349 122.980 120.570 0.102 0.000 2.396 265 I HA 0.552 4.720 4.170 -0.003 0.000 0.289 265 I C 0.569 176.745 176.117 0.099 0.000 1.056 265 I CA 0.408 61.793 61.300 0.142 0.000 1.365 265 I CB 0.799 38.937 38.000 0.229 0.000 1.407 265 I HN 0.179 nan 8.210 nan 0.000 0.509 266 M N 6.215 125.758 119.600 -0.095 0.000 2.575 266 M HA 0.445 4.923 4.480 -0.003 0.000 0.284 266 M C -0.924 175.090 176.300 -0.477 0.000 1.253 266 M CA -0.790 54.261 55.300 -0.414 0.000 0.861 266 M CB 2.421 34.921 32.600 -0.167 0.000 1.733 266 M HN 0.261 nan 8.290 nan 0.000 0.462 267 L N 1.550 122.357 121.223 -0.692 0.000 2.462 267 L HA 0.136 4.474 4.340 -0.003 0.000 0.272 267 L C 1.388 178.151 176.870 -0.178 0.000 1.166 267 L CA -0.177 54.432 54.840 -0.384 0.000 0.880 267 L CB 0.672 42.537 42.059 -0.324 0.000 1.142 267 L HN 1.051 nan 8.230 nan 0.000 0.473 268 A N 3.872 126.623 122.820 -0.115 0.000 1.917 268 A HA -0.186 4.132 4.320 -0.003 0.000 0.219 268 A C 2.149 179.725 177.584 -0.015 0.000 1.182 268 A CA 2.074 54.075 52.037 -0.059 0.000 0.633 268 A CB -1.014 17.949 19.000 -0.061 0.000 0.819 268 A HN 0.974 nan 8.150 nan 0.000 0.448 269 G N -1.242 107.570 108.800 0.020 0.000 2.448 269 G HA2 -0.068 3.890 3.960 -0.003 0.000 0.219 269 G HA3 -0.068 3.890 3.960 -0.003 0.000 0.219 269 G C 1.707 176.612 174.900 0.008 0.000 1.127 269 G CA 1.264 46.400 45.100 0.059 0.000 0.766 269 G HN 0.516 nan 8.290 nan 0.000 0.552 270 S N -0.097 115.589 115.700 -0.025 0.000 2.387 270 S HA -0.052 4.416 4.470 -0.003 0.000 0.226 270 S C 2.476 177.086 174.600 0.017 0.000 1.026 270 S CA 0.845 59.010 58.200 -0.059 0.000 0.972 270 S CB -0.078 63.096 63.200 -0.045 0.000 0.814 270 S HN 0.188 nan 8.310 nan 0.000 0.477 271 V N 2.052 122.010 119.914 0.074 0.000 2.407 271 V HA -0.154 3.964 4.120 -0.003 0.000 0.248 271 V C 2.515 178.678 176.094 0.116 0.000 1.055 271 V CA 1.678 64.063 62.300 0.142 0.000 1.049 271 V CB -0.602 31.259 31.823 0.063 0.000 0.662 271 V HN 0.375 nan 8.190 nan 0.000 0.455 272 R N -0.179 120.350 120.500 0.049 0.000 2.075 272 R HA -0.160 4.178 4.340 -0.003 0.000 0.232 272 R C 2.683 178.997 176.300 0.024 0.000 1.126 272 R CA 1.690 57.811 56.100 0.035 0.000 0.963 272 R CB -0.405 29.905 30.300 0.016 0.000 0.858 272 R HN 0.498 nan 8.270 nan 0.000 0.435 273 S N -0.367 115.317 115.700 -0.027 0.000 2.353 273 S HA -0.190 4.278 4.470 -0.003 0.000 0.222 273 S C 1.796 176.398 174.600 0.003 0.000 1.035 273 S CA 1.299 59.448 58.200 -0.085 0.000 1.025 273 S CB -0.378 62.714 63.200 -0.180 0.000 0.902 273 S HN 0.445 nan 8.310 nan 0.000 0.440 274 Y N 1.160 121.602 120.300 0.236 0.000 2.256 274 Y HA -0.039 4.509 4.550 -0.003 0.000 0.288 274 Y C 2.199 178.228 175.900 0.214 0.000 1.155 274 Y CA 1.072 59.367 58.100 0.325 0.000 1.203 274 Y CB -0.745 37.813 38.460 0.164 0.000 0.980 274 Y HN 0.315 nan 8.280 nan 0.000 0.530 275 L N 0.205 121.575 121.223 0.245 0.000 2.023 275 L HA -0.166 4.172 4.340 -0.003 0.000 0.205 275 L C 1.649 178.576 176.870 0.095 0.000 1.073 275 L CA 2.071 57.002 54.840 0.151 0.000 0.745 275 L CB -0.754 41.364 42.059 0.098 0.000 0.900 275 L HN 0.139 nan 8.230 nan 0.000 0.435 276 N N -1.422 117.305 118.700 0.045 0.000 2.290 276 N HA -0.081 4.658 4.740 -0.003 0.000 0.179 276 N C 1.836 177.306 175.510 -0.068 0.000 1.016 276 N CA 0.678 53.723 53.050 -0.008 0.000 0.871 276 N CB -0.008 38.465 38.487 -0.023 0.000 0.987 276 N HN 0.248 nan 8.380 nan 0.000 0.431 277 R N -0.271 120.144 120.500 -0.142 0.000 2.156 277 R HA 0.103 4.441 4.340 -0.003 0.000 0.207 277 R C 0.336 176.327 176.300 -0.514 0.000 1.040 277 R CA 0.885 56.748 56.100 -0.393 0.000 1.013 277 R CB 0.229 30.153 30.300 -0.627 0.000 0.931 277 R HN 0.152 nan 8.270 nan 0.000 0.465 278 F N -0.903 119.097 119.950 0.084 0.000 2.706 278 F HA 0.389 4.914 4.527 -0.003 0.000 0.313 278 F C 1.076 176.955 175.800 0.132 0.000 1.096 278 F CA 0.261 58.342 58.000 0.135 0.000 1.219 278 F CB 1.263 40.401 39.000 0.229 0.000 1.051 278 F HN 0.162 nan 8.300 nan 0.000 0.568 279 G N 1.664 110.600 108.800 0.227 0.000 2.249 279 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.273 279 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.273 279 G C -0.318 174.692 174.900 0.183 0.000 1.036 279 G CA 0.338 45.537 45.100 0.165 0.000 0.824 279 G HN 0.198 nan 8.290 nan 0.000 0.504 280 V N -0.147 119.904 119.914 0.227 0.000 2.555 280 V HA 0.587 4.705 4.120 -0.003 0.000 0.302 280 V C 0.613 176.790 176.094 0.138 0.000 1.038 280 V CA -1.028 61.371 62.300 0.166 0.000 0.887 280 V CB 1.931 33.842 31.823 0.147 0.000 0.991 280 V HN 0.403 nan 8.190 nan 0.000 0.434 281 R N 2.746 123.293 120.500 0.078 0.000 2.229 281 R HA 0.555 4.893 4.340 -0.003 0.000 0.328 281 R C 1.124 177.438 176.300 0.024 0.000 1.009 281 R CA 0.118 56.254 56.100 0.060 0.000 0.864 281 R CB 1.450 31.776 30.300 0.044 0.000 1.085 281 R HN 0.911 nan 8.270 nan 0.000 0.453 282 A N 3.367 126.202 122.820 0.026 0.000 2.019 282 A HA 0.067 4.385 4.320 -0.003 0.000 0.219 282 A C 0.865 178.437 177.584 -0.019 0.000 1.164 282 A CA 1.587 53.612 52.037 -0.019 0.000 0.644 282 A CB -0.044 18.960 19.000 0.007 0.000 0.805 282 A HN 0.800 nan 8.150 nan 0.000 0.449 283 G N -3.632 105.168 108.800 0.000 0.000 2.550 283 G HA2 0.418 4.377 3.960 -0.003 0.000 0.293 283 G HA3 0.418 4.377 3.960 -0.003 0.000 0.293 283 G C 0.098 175.003 174.900 0.009 0.000 1.402 283 G CA 0.480 45.581 45.100 0.000 0.000 0.784 283 G HN 0.055 nan 8.290 nan 0.000 0.482 284 S N -0.888 114.817 115.700 0.009 0.000 2.503 284 S HA 0.185 4.653 4.470 -0.003 0.000 0.215 284 S C 0.673 175.282 174.600 0.016 0.000 1.003 284 S CA 0.438 58.646 58.200 0.013 0.000 0.910 284 S CB 0.134 63.341 63.200 0.011 0.000 0.790 284 S HN 0.393 nan 8.310 nan 0.000 0.514 285 K N 1.740 122.150 120.400 0.016 0.000 2.753 285 K HA 0.408 4.727 4.320 -0.003 0.000 0.185 285 K C -1.333 175.278 176.600 0.017 0.000 1.071 285 K CA -0.005 56.295 56.287 0.022 0.000 0.999 285 K CB 0.948 33.465 32.500 0.029 0.000 1.244 285 K HN 0.176 nan 8.250 nan 0.000 0.594 286 I N 2.232 122.808 120.570 0.010 0.000 2.325 286 I HA 0.251 4.420 4.170 -0.003 0.000 0.291 286 I C 0.301 176.407 176.117 -0.018 0.000 1.019 286 I CA -0.414 60.886 61.300 -0.001 0.000 1.302 286 I CB 1.300 39.299 38.000 -0.001 0.000 1.401 286 I HN 0.426 nan 8.210 nan 0.000 0.485 287 A N 6.664 129.467 122.820 -0.028 0.000 2.306 287 A HA 0.814 5.133 4.320 -0.003 0.000 0.330 287 A C -0.551 176.984 177.584 -0.081 0.000 1.146 287 A CA -0.490 51.506 52.037 -0.068 0.000 0.827 287 A CB 1.242 20.199 19.000 -0.072 0.000 1.178 287 A HN 0.458 nan 8.150 nan 0.000 0.490 288 V N 0.735 120.578 119.914 -0.119 0.000 2.540 288 V HA 0.699 4.817 4.120 -0.003 0.000 0.302 288 V C 0.188 176.191 176.094 -0.152 0.000 1.035 288 V CA -0.273 61.949 62.300 -0.130 0.000 0.873 288 V CB 1.449 33.177 31.823 -0.159 0.000 0.992 288 V HN 1.234 nan 8.190 nan 0.000 0.428 289 A N 3.046 125.786 122.820 -0.133 0.000 2.311 289 A HA 0.853 5.171 4.320 -0.003 0.000 0.306 289 A C -0.315 177.197 177.584 -0.120 0.000 1.189 289 A CA -0.451 51.502 52.037 -0.139 0.000 0.791 289 A CB 1.662 20.574 19.000 -0.147 0.000 1.172 289 A HN 0.777 nan 8.150 nan 0.000 0.481 290 T N 0.019 114.500 114.554 -0.121 0.000 2.864 290 T HA 0.612 4.960 4.350 -0.003 0.000 0.299 290 T C 0.683 175.342 174.700 -0.068 0.000 1.166 290 T CA 0.442 62.480 62.100 -0.103 0.000 1.007 290 T CB 1.584 70.365 68.868 -0.146 0.000 1.219 290 T HN 1.113 nan 8.240 nan 0.000 0.506 291 T N -0.165 114.357 114.554 -0.053 0.000 3.043 291 T HA 0.350 4.699 4.350 -0.003 0.000 0.272 291 T C 0.328 175.035 174.700 0.013 0.000 0.990 291 T CA -0.409 61.666 62.100 -0.041 0.000 0.897 291 T CB -0.313 68.503 68.868 -0.086 0.000 1.111 291 T HN 0.735 nan 8.240 nan 0.000 0.529 292 N N -0.135 118.592 118.700 0.046 0.000 3.243 292 N HA 0.201 4.940 4.740 -0.003 0.000 0.280 292 N C -1.056 174.552 175.510 0.164 0.000 1.545 292 N CA -0.523 52.593 53.050 0.111 0.000 0.854 292 N CB 0.798 39.372 38.487 0.146 0.000 1.612 292 N HN -0.213 nan 8.380 nan 0.000 0.577 293 D N 0.032 120.555 120.400 0.206 0.000 2.363 293 D HA -0.068 4.570 4.640 -0.003 0.000 0.220 293 D C 1.672 178.108 176.300 0.226 0.000 0.994 293 D CA 0.827 55.016 54.000 0.314 0.000 0.890 293 D CB -0.135 40.794 40.800 0.216 0.000 0.906 293 D HN 0.629 nan 8.370 nan 0.000 0.530 294 S N 0.673 116.475 115.700 0.170 0.000 2.402 294 S HA -0.192 4.276 4.470 -0.003 0.000 0.233 294 S C 2.164 176.804 174.600 0.066 0.000 1.030 294 S CA 1.472 59.764 58.200 0.152 0.000 1.003 294 S CB -0.774 62.650 63.200 0.373 0.000 0.813 294 S HN 0.248 nan 8.310 nan 0.000 0.477 295 V N -2.242 117.634 119.914 -0.063 0.000 3.041 295 V HA 0.092 4.211 4.120 -0.003 0.000 0.260 295 V C 2.025 177.967 176.094 -0.254 0.000 1.105 295 V CA 0.741 62.927 62.300 -0.190 0.000 1.125 295 V CB -1.604 30.027 31.823 -0.319 0.000 0.730 295 V HN 0.408 nan 8.190 nan 0.000 0.479 296 Y N 1.365 121.673 120.300 0.015 0.000 2.274 296 Y HA 0.064 4.612 4.550 -0.003 0.000 0.290 296 Y C 0.271 176.171 175.900 -0.000 0.000 1.145 296 Y CA 1.598 59.699 58.100 0.002 0.000 1.203 296 Y CB -2.079 36.380 38.460 -0.003 0.000 0.984 296 Y HN 0.405 nan 8.280 nan 0.000 0.533 297 P HA -0.167 nan 4.420 nan 0.000 0.216 297 P C 1.818 179.140 177.300 0.035 0.000 1.153 297 P CA 1.082 64.219 63.100 0.061 0.000 0.848 297 P CB -0.041 31.680 31.700 0.035 0.000 0.787 298 L N -0.394 120.838 121.223 0.014 0.000 2.017 298 L HA -0.144 4.195 4.340 -0.003 0.000 0.208 298 L C 2.096 178.969 176.870 0.005 0.000 1.073 298 L CA 1.910 56.752 54.840 0.004 0.000 0.745 298 L CB -1.290 40.761 42.059 -0.013 0.000 0.894 298 L HN -0.201 nan 8.230 nan 0.000 0.432 299 V N -0.576 119.335 119.914 -0.004 0.000 2.282 299 V HA -0.347 3.771 4.120 -0.003 0.000 0.249 299 V C 2.824 178.940 176.094 0.037 0.000 1.057 299 V CA 2.102 64.409 62.300 0.012 0.000 1.032 299 V CB -1.109 30.736 31.823 0.036 0.000 0.645 299 V HN 0.710 nan 8.190 nan 0.000 0.447 300 S N -0.645 115.087 115.700 0.054 0.000 2.368 300 S HA -0.250 4.219 4.470 -0.003 0.000 0.225 300 S C 1.929 176.546 174.600 0.028 0.000 1.030 300 S CA 1.980 60.206 58.200 0.044 0.000 0.999 300 S CB -0.315 62.913 63.200 0.046 0.000 0.844 300 S HN 0.728 nan 8.310 nan 0.000 0.459 301 E N 0.228 120.443 120.200 0.025 0.000 2.268 301 E HA -0.004 4.344 4.350 -0.003 0.000 0.195 301 E C 1.743 178.356 176.600 0.022 0.000 0.995 301 E CA 0.843 57.255 56.400 0.021 0.000 0.836 301 E CB -0.103 29.608 29.700 0.019 0.000 0.763 301 E HN 0.503 nan 8.360 nan 0.000 0.491 302 L N -0.146 121.090 121.223 0.022 0.000 2.509 302 L HA 0.092 4.431 4.340 -0.003 0.000 0.222 302 L C 2.286 179.169 176.870 0.021 0.000 1.123 302 L CA 0.060 54.913 54.840 0.022 0.000 0.856 302 L CB -0.137 41.933 42.059 0.018 0.000 0.985 302 L HN 0.131 nan 8.230 nan 0.000 0.456 303 A N 0.826 123.659 122.820 0.021 0.000 1.873 303 A HA -0.287 4.031 4.320 -0.003 0.000 0.218 303 A C 2.539 180.134 177.584 0.018 0.000 1.193 303 A CA 2.061 54.110 52.037 0.020 0.000 0.629 303 A CB -0.719 18.293 19.000 0.020 0.000 0.826 303 A HN 0.390 nan 8.150 nan 0.000 0.447 304 A N -0.145 122.685 122.820 0.017 0.000 2.024 304 A HA -0.042 4.276 4.320 -0.003 0.000 0.220 304 A C 2.151 179.746 177.584 0.018 0.000 1.164 304 A CA 2.129 54.175 52.037 0.016 0.000 0.643 304 A CB -0.711 18.298 19.000 0.015 0.000 0.806 304 A HN 1.149 nan 8.150 nan 0.000 0.451 305 S N -2.738 112.974 115.700 0.020 0.000 2.582 305 S HA 0.477 4.945 4.470 -0.003 0.000 0.234 305 S C 0.996 175.608 174.600 0.020 0.000 0.961 305 S CA 0.752 58.965 58.200 0.021 0.000 0.953 305 S CB 0.063 63.279 63.200 0.026 0.000 0.800 305 S HN 1.740 nan 8.310 nan 0.000 0.471 306 G N -0.264 108.547 108.800 0.019 0.000 2.227 306 G HA2 0.302 4.260 3.960 -0.003 0.000 0.168 306 G HA3 0.302 4.260 3.960 -0.003 0.000 0.168 306 G C 0.886 175.797 174.900 0.018 0.000 1.006 306 G CA 0.035 45.145 45.100 0.018 0.000 0.684 306 G HN 1.664 nan 8.290 nan 0.000 0.489 307 G N -1.358 107.453 108.800 0.018 0.000 2.601 307 G HA2 0.250 4.209 3.960 -0.003 0.000 0.252 307 G HA3 0.250 4.209 3.960 -0.003 0.000 0.252 307 G C 0.545 175.453 174.900 0.013 0.000 1.294 307 G CA 1.610 46.721 45.100 0.017 0.000 0.912 307 G HN 2.123 nan 8.290 nan 0.000 0.574 308 V N -3.285 116.634 119.914 0.008 0.000 3.040 308 V HA 0.752 4.871 4.120 -0.003 0.000 0.312 308 V C 1.328 177.420 176.094 -0.002 0.000 1.115 308 V CA 0.092 62.390 62.300 -0.003 0.000 0.998 308 V CB 1.278 33.089 31.823 -0.021 0.000 1.042 308 V HN 1.398 nan 8.190 nan 0.000 0.433 309 V N 1.431 121.342 119.914 -0.006 0.000 2.332 309 V HA 0.274 4.392 4.120 -0.003 0.000 0.248 309 V C 1.161 177.231 176.094 -0.039 0.000 1.055 309 V CA 2.457 64.763 62.300 0.010 0.000 1.038 309 V CB -0.765 31.074 31.823 0.028 0.000 0.651 309 V HN 1.731 nan 8.190 nan 0.000 0.450 310 A N -1.910 120.844 122.820 -0.110 0.000 2.522 310 A HA 0.566 4.884 4.320 -0.003 0.000 0.294 310 A C -1.451 176.029 177.584 -0.173 0.000 1.001 310 A CA -0.454 51.483 52.037 -0.167 0.000 0.642 310 A CB 0.883 19.666 19.000 -0.360 0.000 1.326 310 A HN 0.039 nan 8.150 nan 0.000 0.435 311 V N 2.273 122.108 119.914 -0.132 0.000 2.384 311 V HA 0.430 4.548 4.120 -0.003 0.000 0.287 311 V C -0.472 175.545 176.094 -0.129 0.000 1.020 311 V CA -0.486 61.744 62.300 -0.117 0.000 0.850 311 V CB 1.351 33.160 31.823 -0.023 0.000 0.987 311 V HN 0.613 nan 8.190 nan 0.000 0.436 312 I N 3.894 124.366 120.570 -0.163 0.000 2.282 312 I HA 0.335 4.503 4.170 -0.003 0.000 0.290 312 I C 0.049 176.107 176.117 -0.098 0.000 1.090 312 I CA -0.035 61.174 61.300 -0.152 0.000 1.231 312 I CB 0.693 38.576 38.000 -0.196 0.000 1.434 312 I HN 0.557 nan 8.210 nan 0.000 0.487 313 D N 4.933 125.308 120.400 -0.043 0.000 2.274 313 D HA 0.396 5.034 4.640 -0.003 0.000 0.239 313 D C 0.878 177.167 176.300 -0.019 0.000 1.104 313 D CA -0.228 53.770 54.000 -0.003 0.000 0.840 313 D CB 2.236 43.085 40.800 0.081 0.000 1.100 313 D HN 0.571 nan 8.370 nan 0.000 0.477 314 A N 4.995 127.795 122.820 -0.034 0.000 2.067 314 A HA -0.067 4.251 4.320 -0.003 0.000 0.219 314 A C 1.190 178.759 177.584 -0.026 0.000 1.158 314 A CA 0.591 52.603 52.037 -0.041 0.000 0.661 314 A CB -0.013 18.949 19.000 -0.064 0.000 0.801 314 A HN 0.550 nan 8.150 nan 0.000 0.452 315 R N 0.452 120.948 120.500 -0.008 0.000 2.537 315 R HA 0.100 4.438 4.340 -0.003 0.000 0.280 315 R C 0.848 177.149 176.300 0.002 0.000 1.058 315 R CA -0.343 55.758 56.100 0.001 0.000 1.057 315 R CB 0.404 30.716 30.300 0.020 0.000 0.973 315 R HN 0.381 nan 8.270 nan 0.000 0.438 316 Q N 1.703 121.503 119.800 -0.000 0.000 2.061 316 Q HA -0.138 4.201 4.340 -0.003 0.000 0.204 316 Q C -0.036 175.964 176.000 0.001 0.000 0.984 316 Q CA 1.642 57.446 55.803 0.000 0.000 0.846 316 Q CB -0.175 28.564 28.738 0.002 0.000 0.902 316 Q HN 0.596 nan 8.270 nan 0.000 0.421 317 N N -0.406 118.294 118.700 0.001 0.000 2.384 317 N HA 0.403 5.141 4.740 -0.003 0.000 0.301 317 N C -0.643 174.861 175.510 -0.010 0.000 1.133 317 N CA -0.571 52.477 53.050 -0.004 0.000 0.853 317 N CB 1.757 40.241 38.487 -0.005 0.000 1.241 317 N HN -0.038 nan 8.380 nan 0.000 0.502 318 I N 1.735 122.292 120.570 -0.022 0.000 2.517 318 I HA -0.012 4.157 4.170 -0.003 0.000 0.285 318 I C 0.905 176.987 176.117 -0.058 0.000 1.106 318 I CA 0.013 61.286 61.300 -0.045 0.000 1.402 318 I CB 0.210 38.176 38.000 -0.055 0.000 1.399 318 I HN 0.605 nan 8.210 nan 0.000 0.535 319 S N 5.218 120.872 115.700 -0.077 0.000 2.645 319 S HA 0.421 4.889 4.470 -0.003 0.000 0.266 319 S C 1.220 175.749 174.600 -0.117 0.000 1.258 319 S CA -0.220 57.935 58.200 -0.075 0.000 0.990 319 S CB 1.668 64.837 63.200 -0.052 0.000 0.967 319 S HN 0.699 nan 8.310 nan 0.000 0.556 320 A N 1.425 124.192 122.820 -0.089 0.000 1.883 320 A HA 0.064 4.382 4.320 -0.003 0.000 0.217 320 A C 2.408 179.908 177.584 -0.140 0.000 1.186 320 A CA 2.130 54.111 52.037 -0.093 0.000 0.624 320 A CB -1.776 17.186 19.000 -0.063 0.000 0.822 320 A HN 1.361 nan 8.150 nan 0.000 0.444 321 A N -0.282 122.441 122.820 -0.161 0.000 1.873 321 A HA 0.183 4.501 4.320 -0.003 0.000 0.215 321 A C 2.526 179.795 177.584 -0.524 0.000 1.186 321 A CA 2.113 54.016 52.037 -0.224 0.000 0.616 321 A CB -1.110 17.828 19.000 -0.103 0.000 0.823 321 A HN 1.159 nan 8.150 nan 0.000 0.442 322 A N -0.144 122.209 122.820 -0.779 0.000 1.978 322 A HA 0.135 4.453 4.320 -0.003 0.000 0.220 322 A C 2.434 179.729 177.584 -0.482 0.000 1.170 322 A CA 2.013 53.389 52.037 -1.102 0.000 0.636 322 A CB -0.923 17.678 19.000 -0.665 0.000 0.810 322 A HN 1.093 nan 8.150 nan 0.000 0.448 323 A N -0.953 121.693 122.820 -0.289 0.000 1.940 323 A HA -0.194 4.124 4.320 -0.003 0.000 0.219 323 A C 2.046 179.549 177.584 -0.133 0.000 1.176 323 A CA 1.736 53.675 52.037 -0.162 0.000 0.631 323 A CB -0.398 18.532 19.000 -0.116 0.000 0.814 323 A HN 0.492 nan 8.150 nan 0.000 0.446 324 Q N -0.429 119.281 119.800 -0.151 0.000 2.167 324 Q HA -0.003 4.335 4.340 -0.003 0.000 0.202 324 Q C 2.276 178.236 176.000 -0.067 0.000 0.970 324 Q CA 1.463 57.211 55.803 -0.091 0.000 0.855 324 Q CB -0.869 27.824 28.738 -0.075 0.000 0.911 324 Q HN 0.673 nan 8.270 nan 0.000 0.438 325 A N 0.304 123.065 122.820 -0.098 0.000 1.929 325 A HA -0.077 4.241 4.320 -0.003 0.000 0.216 325 A C 2.411 179.990 177.584 -0.008 0.000 1.176 325 A CA 1.205 53.239 52.037 -0.004 0.000 0.628 325 A CB -0.520 18.532 19.000 0.086 0.000 0.816 325 A HN 0.194 nan 8.150 nan 0.000 0.444 326 V N 0.352 120.239 119.914 -0.045 0.000 2.343 326 V HA -0.227 3.891 4.120 -0.003 0.000 0.247 326 V C 2.715 178.797 176.094 -0.019 0.000 1.051 326 V CA 2.438 64.722 62.300 -0.027 0.000 1.036 326 V CB -1.338 30.460 31.823 -0.042 0.000 0.654 326 V HN 0.661 nan 8.190 nan 0.000 0.451 327 T N -0.856 113.682 114.554 -0.028 0.000 2.915 327 T HA -0.142 4.206 4.350 -0.003 0.000 0.269 327 T C 1.351 176.045 174.700 -0.009 0.000 1.071 327 T CA 1.284 63.372 62.100 -0.019 0.000 1.132 327 T CB -0.314 68.539 68.868 -0.025 0.000 0.878 327 T HN 0.432 nan 8.240 nan 0.000 0.479 328 D N 0.840 121.237 120.400 -0.004 0.000 2.363 328 D HA 0.199 4.837 4.640 -0.003 0.000 0.226 328 D C 1.667 177.973 176.300 0.010 0.000 1.020 328 D CA 0.674 54.677 54.000 0.005 0.000 0.892 328 D CB -0.263 40.544 40.800 0.013 0.000 0.900 328 D HN 0.547 nan 8.370 nan 0.000 0.531 329 G N 0.178 108.983 108.800 0.008 0.000 2.141 329 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.242 329 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.242 329 G C 0.382 175.293 174.900 0.019 0.000 0.982 329 G CA 0.134 45.241 45.100 0.012 0.000 0.662 329 G HN 0.280 nan 8.290 nan 0.000 0.527 330 V N 1.176 121.104 119.914 0.023 0.000 2.775 330 V HA 0.450 4.568 4.120 -0.003 0.000 0.299 330 V C 1.147 177.257 176.094 0.027 0.000 1.062 330 V CA 0.482 62.800 62.300 0.031 0.000 1.063 330 V CB 1.491 33.346 31.823 0.053 0.000 0.994 330 V HN 0.312 nan 8.190 nan 0.000 0.483 331 T N 4.627 119.193 114.554 0.020 0.000 2.727 331 T HA 0.378 4.726 4.350 -0.003 0.000 0.295 331 T C -0.229 174.467 174.700 -0.006 0.000 0.915 331 T CA -0.096 62.011 62.100 0.012 0.000 1.066 331 T CB 0.432 69.310 68.868 0.015 0.000 0.891 331 T HN 0.393 nan 8.240 nan 0.000 0.516 332 V N 5.876 125.794 119.914 0.007 0.000 2.448 332 V HA 0.428 4.547 4.120 -0.003 0.000 0.295 332 V C -0.144 175.946 176.094 -0.006 0.000 1.025 332 V CA -0.876 61.432 62.300 0.013 0.000 0.859 332 V CB 1.613 33.467 31.823 0.052 0.000 0.988 332 V HN 0.745 nan 8.190 nan 0.000 0.431 333 L N 5.376 126.578 121.223 -0.035 0.000 2.277 333 L HA 0.492 4.830 4.340 -0.003 0.000 0.284 333 L C 0.718 177.577 176.870 -0.019 0.000 1.028 333 L CA -0.291 54.531 54.840 -0.031 0.000 0.835 333 L CB 1.724 43.740 42.059 -0.071 0.000 1.215 333 L HN 0.808 nan 8.230 nan 0.000 0.425 334 T N -1.319 113.233 114.554 -0.002 0.000 2.847 334 T HA 0.421 4.769 4.350 -0.003 0.000 0.279 334 T C 1.214 175.911 174.700 -0.005 0.000 0.984 334 T CA 0.094 62.194 62.100 0.001 0.000 0.988 334 T CB 1.570 70.441 68.868 0.004 0.000 1.040 334 T HN 0.847 nan 8.240 nan 0.000 0.528 335 G N 0.892 109.688 108.800 -0.006 0.000 2.337 335 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.290 335 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.290 335 G C 0.115 175.006 174.900 -0.014 0.000 1.003 335 G CA 0.391 45.486 45.100 -0.009 0.000 0.825 335 G HN 1.030 nan 8.290 nan 0.000 0.509 336 S N -1.824 113.860 115.700 -0.025 0.000 2.599 336 S HA 0.866 5.334 4.470 -0.003 0.000 0.294 336 S C 0.009 174.570 174.600 -0.065 0.000 1.094 336 S CA -0.193 57.986 58.200 -0.035 0.000 0.931 336 S CB 2.962 66.142 63.200 -0.033 0.000 1.093 336 S HN 1.547 nan 8.310 nan 0.000 0.488 337 V N -1.645 118.223 119.914 -0.078 0.000 3.159 337 V HA 0.761 4.879 4.120 -0.003 0.000 0.308 337 V C -0.967 175.018 176.094 -0.181 0.000 1.190 337 V CA -0.956 61.264 62.300 -0.132 0.000 1.037 337 V CB 1.457 33.218 31.823 -0.103 0.000 1.060 337 V HN 0.559 nan 8.190 nan 0.000 0.437 338 V N 2.196 121.906 119.914 -0.340 0.000 2.408 338 V HA 0.572 4.690 4.120 -0.003 0.000 0.267 338 V C 1.242 177.061 176.094 -0.458 0.000 1.047 338 V CA 0.766 62.803 62.300 -0.439 0.000 0.937 338 V CB 0.580 31.971 31.823 -0.719 0.000 0.999 338 V HN 1.286 nan 8.190 nan 0.000 0.472 339 A N 4.598 127.317 122.820 -0.168 0.000 2.267 339 A HA 0.342 4.660 4.320 -0.003 0.000 0.213 339 A C 0.768 178.402 177.584 0.083 0.000 1.192 339 A CA 0.308 52.337 52.037 -0.013 0.000 0.851 339 A CB -0.036 18.981 19.000 0.029 0.000 0.881 339 A HN 0.695 nan 8.150 nan 0.000 0.494 340 N N -1.636 117.106 118.700 0.069 0.000 3.348 340 N HA 0.323 5.061 4.740 -0.003 0.000 0.233 340 N C -1.344 174.246 175.510 0.134 0.000 1.440 340 N CA 0.605 53.742 53.050 0.146 0.000 0.887 340 N CB 1.264 39.803 38.487 0.088 0.000 1.410 340 N HN 0.230 nan 8.380 nan 0.000 0.502 341 T N -2.127 112.512 114.554 0.141 0.000 2.843 341 T HA 0.743 5.091 4.350 -0.003 0.000 0.302 341 T C -1.079 173.658 174.700 0.061 0.000 1.232 341 T CA -0.669 61.500 62.100 0.114 0.000 1.009 341 T CB 2.220 71.189 68.868 0.170 0.000 1.254 341 T HN 0.401 nan 8.240 nan 0.000 0.504 342 E N -0.277 119.950 120.200 0.045 0.000 2.336 342 E HA 0.718 5.066 4.350 -0.003 0.000 0.267 342 E C -0.887 175.721 176.600 0.014 0.000 0.906 342 E CA -1.481 54.929 56.400 0.017 0.000 0.781 342 E CB 2.420 32.127 29.700 0.012 0.000 1.261 342 E HN 0.966 nan 8.360 nan 0.000 0.436 343 A N 1.278 124.096 122.820 -0.003 0.000 2.384 343 A HA 0.551 4.869 4.320 -0.003 0.000 0.312 343 A C -0.960 176.620 177.584 -0.007 0.000 1.113 343 A CA -0.807 51.227 52.037 -0.005 0.000 0.779 343 A CB 0.996 19.986 19.000 -0.016 0.000 1.307 343 A HN 0.693 nan 8.150 nan 0.000 0.436 344 D N 0.314 120.710 120.400 -0.006 0.000 2.478 344 D HA 0.491 5.130 4.640 -0.003 0.000 0.274 344 D C 1.215 177.508 176.300 -0.011 0.000 1.234 344 D CA 0.152 54.148 54.000 -0.007 0.000 1.069 344 D CB 0.230 41.027 40.800 -0.005 0.000 1.113 344 D HN 0.491 nan 8.370 nan 0.000 0.571 345 A N -0.385 122.429 122.820 -0.010 0.000 1.972 345 A HA -0.133 4.185 4.320 -0.003 0.000 0.219 345 A C 1.999 179.575 177.584 -0.013 0.000 1.169 345 A CA 2.211 54.242 52.037 -0.011 0.000 0.635 345 A CB -1.201 17.794 19.000 -0.010 0.000 0.810 345 A HN 0.605 nan 8.150 nan 0.000 0.446 346 S N -2.002 113.690 115.700 -0.014 0.000 2.607 346 S HA 0.352 4.820 4.470 -0.003 0.000 0.224 346 S C 1.436 176.025 174.600 -0.019 0.000 0.969 346 S CA 1.097 59.287 58.200 -0.016 0.000 0.927 346 S CB -0.324 62.866 63.200 -0.016 0.000 0.772 346 S HN 1.928 nan 8.310 nan 0.000 0.533 347 G N 0.542 109.331 108.800 -0.018 0.000 2.176 347 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.253 347 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.253 347 G C -0.241 174.647 174.900 -0.020 0.000 0.979 347 G CA 0.130 45.217 45.100 -0.022 0.000 0.641 347 G HN 0.619 nan 8.290 nan 0.000 0.530 348 E N -0.252 119.939 120.200 -0.014 0.000 2.283 348 E HA 0.534 4.882 4.350 -0.003 0.000 0.271 348 E C 0.389 176.990 176.600 0.002 0.000 1.031 348 E CA -1.077 55.318 56.400 -0.008 0.000 0.868 348 E CB 1.651 31.345 29.700 -0.010 0.000 1.094 348 E HN 0.239 nan 8.360 nan 0.000 0.401 349 L N 2.238 123.469 121.223 0.013 0.000 2.615 349 L HA -0.139 4.200 4.340 -0.003 0.000 0.284 349 L C 0.719 177.602 176.870 0.023 0.000 1.237 349 L CA 1.085 55.941 54.840 0.028 0.000 0.905 349 L CB 0.430 42.515 42.059 0.044 0.000 1.149 349 L HN 0.651 nan 8.230 nan 0.000 0.499 350 S N 2.595 118.311 115.700 0.026 0.000 2.631 350 S HA 0.743 5.212 4.470 -0.003 0.000 0.246 350 S C 0.292 174.912 174.600 0.034 0.000 1.068 350 S CA 0.131 58.344 58.200 0.023 0.000 0.995 350 S CB 0.306 63.514 63.200 0.013 0.000 0.944 350 S HN 1.102 nan 8.310 nan 0.000 0.529 351 A N 0.923 123.770 122.820 0.044 0.000 2.601 351 A HA 0.701 5.019 4.320 -0.003 0.000 0.291 351 A C -1.266 176.363 177.584 0.074 0.000 1.075 351 A CA -0.340 51.734 52.037 0.061 0.000 0.671 351 A CB 1.109 20.135 19.000 0.044 0.000 1.277 351 A HN 1.183 nan 8.150 nan 0.000 0.417 352 V N -0.998 118.976 119.914 0.100 0.000 2.735 352 V HA 0.802 4.920 4.120 -0.003 0.000 0.310 352 V C -0.727 175.435 176.094 0.113 0.000 1.061 352 V CA -0.806 61.546 62.300 0.088 0.000 0.913 352 V CB 1.539 33.391 31.823 0.049 0.000 1.005 352 V HN 0.795 nan 8.190 nan 0.000 0.428 353 L N 4.546 125.810 121.223 0.069 0.000 2.262 353 L HA 0.588 4.927 4.340 -0.003 0.000 0.288 353 L C -0.456 176.445 176.870 0.052 0.000 1.035 353 L CA -0.584 54.298 54.840 0.071 0.000 0.820 353 L CB 1.555 43.640 42.059 0.044 0.000 1.204 353 L HN 0.544 nan 8.230 nan 0.000 0.424 354 V N 2.830 122.816 119.914 0.122 0.000 2.532 354 V HA 0.830 4.948 4.120 -0.003 0.000 0.295 354 V C 0.244 176.380 176.094 0.070 0.000 1.041 354 V CA -0.384 61.961 62.300 0.076 0.000 0.926 354 V CB 1.617 33.514 31.823 0.124 0.000 0.992 354 V HN 0.900 nan 8.190 nan 0.000 0.457 355 A N 2.533 125.366 122.820 0.023 0.000 2.587 355 A HA 0.820 5.138 4.320 -0.003 0.000 0.293 355 A C -0.141 177.449 177.584 0.010 0.000 1.087 355 A CA -0.328 51.724 52.037 0.025 0.000 0.692 355 A CB 1.717 20.730 19.000 0.022 0.000 1.291 355 A HN 0.911 nan 8.150 nan 0.000 0.407 356 T N -0.968 113.595 114.554 0.015 0.000 2.860 356 T HA 0.512 4.860 4.350 -0.003 0.000 0.299 356 T C -0.373 174.332 174.700 0.008 0.000 1.045 356 T CA -0.073 62.032 62.100 0.008 0.000 1.071 356 T CB 0.775 69.650 68.868 0.012 0.000 0.985 356 T HN 1.476 nan 8.240 nan 0.000 0.537 357 L N 2.678 123.903 121.223 0.003 0.000 2.518 357 L HA 0.418 4.756 4.340 -0.003 0.000 0.262 357 L C -0.844 176.028 176.870 0.004 0.000 0.982 357 L CA -0.495 54.349 54.840 0.007 0.000 0.873 357 L CB 1.255 43.316 42.059 0.003 0.000 1.198 357 L HN 0.959 nan 8.230 nan 0.000 0.427 358 D N 1.839 122.244 120.400 0.009 0.000 2.414 358 D HA 0.080 4.719 4.640 -0.003 0.000 0.251 358 D C 0.623 176.927 176.300 0.007 0.000 1.252 358 D CA -0.137 53.868 54.000 0.008 0.000 0.999 358 D CB 0.584 41.391 40.800 0.011 0.000 1.093 358 D HN 0.602 nan 8.370 nan 0.000 0.515 359 E N -1.064 119.140 120.200 0.007 0.000 2.333 359 E HA -0.170 4.178 4.350 -0.003 0.000 0.198 359 E C 1.159 177.767 176.600 0.014 0.000 1.007 359 E CA 0.683 57.088 56.400 0.008 0.000 0.845 359 E CB -0.133 29.573 29.700 0.010 0.000 0.766 359 E HN 0.401 nan 8.360 nan 0.000 0.507 360 Q N 0.249 120.059 119.800 0.016 0.000 2.365 360 Q HA 0.113 4.451 4.340 -0.003 0.000 0.203 360 Q C 0.050 176.065 176.000 0.025 0.000 0.929 360 Q CA 0.003 55.818 55.803 0.020 0.000 0.948 360 Q CB 0.190 28.939 28.738 0.018 0.000 1.043 360 Q HN 0.236 nan 8.270 nan 0.000 0.505 361 R N 0.350 120.866 120.500 0.026 0.000 3.651 361 R HA -0.166 4.173 4.340 -0.003 0.000 0.292 361 R C -0.817 175.509 176.300 0.042 0.000 1.161 361 R CA 0.409 56.530 56.100 0.036 0.000 0.787 361 R CB -2.344 27.983 30.300 0.046 0.000 1.249 361 R HN 0.409 nan 8.270 nan 0.000 0.476 362 N N 0.483 119.202 118.700 0.033 0.000 2.479 362 N HA 0.373 5.112 4.740 -0.003 0.000 0.285 362 N C -0.252 175.277 175.510 0.032 0.000 1.075 362 N CA -0.531 52.539 53.050 0.033 0.000 0.967 362 N CB 1.095 39.597 38.487 0.024 0.000 1.137 362 N HN 0.030 nan 8.380 nan 0.000 0.472 363 L N 1.471 122.716 121.223 0.037 0.000 2.312 363 L HA 0.451 4.789 4.340 -0.003 0.000 0.281 363 L C 1.212 178.096 176.870 0.023 0.000 1.070 363 L CA -0.516 54.344 54.840 0.033 0.000 0.805 363 L CB 1.121 43.206 42.059 0.043 0.000 1.174 363 L HN 0.612 nan 8.230 nan 0.000 0.434 364 G N 1.683 110.495 108.800 0.020 0.000 2.532 364 G HA2 0.257 4.215 3.960 -0.003 0.000 0.291 364 G HA3 0.257 4.215 3.960 -0.003 0.000 0.291 364 G C -0.405 174.505 174.900 0.017 0.000 1.349 364 G CA -0.529 44.581 45.100 0.017 0.000 1.038 364 G HN 0.469 nan 8.290 nan 0.000 0.518 365 E N -0.272 119.937 120.200 0.014 0.000 2.392 365 E HA 0.383 4.731 4.350 -0.003 0.000 0.264 365 E C 0.555 177.166 176.600 0.017 0.000 1.024 365 E CA -0.100 56.306 56.400 0.011 0.000 0.903 365 E CB 1.317 31.020 29.700 0.006 0.000 0.963 365 E HN 0.535 nan 8.360 nan 0.000 0.432 366 A N 3.018 125.847 122.820 0.015 0.000 2.340 366 A HA 0.227 4.545 4.320 -0.003 0.000 0.268 366 A C 0.068 177.661 177.584 0.015 0.000 1.100 366 A CA -0.233 51.817 52.037 0.023 0.000 0.803 366 A CB 0.532 19.544 19.000 0.020 0.000 1.043 366 A HN 0.574 nan 8.150 nan 0.000 0.488 367 Q N 0.930 120.753 119.800 0.038 0.000 2.337 367 Q HA 0.463 4.801 4.340 -0.003 0.000 0.270 367 Q C -0.588 175.390 176.000 -0.036 0.000 1.043 367 Q CA -0.694 55.097 55.803 -0.021 0.000 0.794 367 Q CB 1.427 30.174 28.738 0.016 0.000 1.281 367 Q HN 0.801 nan 8.270 nan 0.000 0.446 368 R N 3.265 123.667 120.500 -0.164 0.000 2.308 368 R HA 0.399 4.737 4.340 -0.003 0.000 0.305 368 R C -1.518 174.578 176.300 -0.340 0.000 1.053 368 R CA 0.024 56.045 56.100 -0.132 0.000 0.957 368 R CB 0.536 30.777 30.300 -0.098 0.000 1.022 368 R HN 0.456 nan 8.270 nan 0.000 0.461 369 F N 2.422 122.365 119.950 -0.012 0.000 2.518 369 F HA 0.276 4.802 4.527 -0.003 0.000 0.323 369 F C 0.002 175.798 175.800 -0.008 0.000 1.129 369 F CA -0.746 57.247 58.000 -0.011 0.000 0.920 369 F CB 2.007 40.997 39.000 -0.016 0.000 1.160 369 F HN 0.414 nan 8.300 nan 0.000 0.440 370 E N 2.523 122.805 120.200 0.136 0.000 2.338 370 E HA 0.643 4.991 4.350 -0.003 0.000 0.272 370 E C -0.615 176.043 176.600 0.095 0.000 1.029 370 E CA -0.365 56.086 56.400 0.086 0.000 0.872 370 E CB 1.430 31.157 29.700 0.046 0.000 1.015 370 E HN 0.637 nan 8.360 nan 0.000 0.417 371 A N 2.296 125.157 122.820 0.067 0.000 2.594 371 A HA 0.261 4.579 4.320 -0.003 0.000 0.296 371 A C -0.762 176.844 177.584 0.037 0.000 1.056 371 A CA -0.799 51.269 52.037 0.051 0.000 0.693 371 A CB 1.174 20.204 19.000 0.051 0.000 1.278 371 A HN 0.684 nan 8.150 nan 0.000 0.408 372 D N -0.036 120.380 120.400 0.026 0.000 2.407 372 D HA 0.322 4.960 4.640 -0.003 0.000 0.208 372 D C 0.023 176.334 176.300 0.017 0.000 1.083 372 D CA 0.320 54.331 54.000 0.018 0.000 0.844 372 D CB 0.556 41.362 40.800 0.010 0.000 0.967 372 D HN 0.369 nan 8.370 nan 0.000 0.506 373 V N 0.688 120.614 119.914 0.019 0.000 2.851 373 V HA 0.393 4.512 4.120 -0.003 0.000 0.307 373 V C -1.667 174.438 176.094 0.018 0.000 1.129 373 V CA -1.030 61.281 62.300 0.017 0.000 0.932 373 V CB 2.667 34.495 31.823 0.008 0.000 1.024 373 V HN 0.088 nan 8.190 nan 0.000 0.426 374 L N 4.280 125.520 121.223 0.028 0.000 2.388 374 L HA 0.864 5.202 4.340 -0.003 0.000 0.267 374 L C 0.251 177.124 176.870 0.006 0.000 0.995 374 L CA -0.354 54.501 54.840 0.024 0.000 0.864 374 L CB 1.150 43.254 42.059 0.075 0.000 1.216 374 L HN 0.797 nan 8.230 nan 0.000 0.430 375 A N 5.440 128.245 122.820 -0.026 0.000 2.376 375 A HA 0.605 4.923 4.320 -0.003 0.000 0.298 375 A C -0.448 177.103 177.584 -0.056 0.000 1.271 375 A CA -0.312 51.696 52.037 -0.049 0.000 0.926 375 A CB -0.075 18.894 19.000 -0.051 0.000 1.141 375 A HN 0.512 nan 8.150 nan 0.000 0.539 376 V N 2.412 122.295 119.914 -0.051 0.000 2.472 376 V HA 0.633 4.752 4.120 -0.003 0.000 0.290 376 V C 0.516 176.569 176.094 -0.069 0.000 1.037 376 V CA -0.285 62.002 62.300 -0.022 0.000 0.908 376 V CB 1.762 33.644 31.823 0.099 0.000 0.985 376 V HN 0.842 nan 8.190 nan 0.000 0.454 377 S N 2.569 118.221 115.700 -0.080 0.000 2.746 377 S HA 0.528 4.996 4.470 -0.003 0.000 0.273 377 S C 0.539 175.057 174.600 -0.138 0.000 1.172 377 S CA 0.043 58.154 58.200 -0.149 0.000 1.116 377 S CB 0.816 63.935 63.200 -0.136 0.000 1.057 377 S HN 1.035 nan 8.310 nan 0.000 0.483 378 G N 2.067 110.786 108.800 -0.136 0.000 3.434 378 G HA2 0.564 4.522 3.960 -0.003 0.000 0.258 378 G HA3 0.564 4.522 3.960 -0.003 0.000 0.258 378 G C 0.765 175.581 174.900 -0.141 0.000 1.128 378 G CA 0.117 45.160 45.100 -0.096 0.000 0.792 378 G HN 1.387 nan 8.290 nan 0.000 0.539 379 G N -0.600 108.033 108.800 -0.279 0.000 2.362 379 G HA2 0.186 4.144 3.960 -0.003 0.000 0.517 379 G HA3 0.186 4.144 3.960 -0.003 0.000 0.517 379 G C -1.270 173.270 174.900 -0.600 0.000 1.256 379 G CA -1.095 43.864 45.100 -0.235 0.000 1.027 379 G HN 0.374 nan 8.290 nan 0.000 0.491 380 F N 0.357 120.372 119.950 0.109 0.000 2.581 380 F HA 0.554 5.079 4.527 -0.003 0.000 0.311 380 F C 0.023 175.908 175.800 0.141 0.000 1.113 380 F CA -0.745 57.327 58.000 0.119 0.000 0.935 380 F CB 2.536 41.577 39.000 0.068 0.000 1.232 380 F HN 0.446 nan 8.300 nan 0.000 0.445 381 N N 3.801 122.704 118.700 0.338 0.000 2.511 381 N HA 0.406 5.144 4.740 -0.003 0.000 0.249 381 N C -2.842 172.817 175.510 0.248 0.000 0.971 381 N CA -1.613 51.622 53.050 0.307 0.000 0.938 381 N CB 1.393 40.097 38.487 0.361 0.000 1.131 381 N HN 0.137 nan 8.380 nan 0.000 0.505 382 P HA -0.068 nan 4.420 nan 0.000 0.264 382 P C -0.341 177.008 177.300 0.081 0.000 1.183 382 P CA -0.025 63.120 63.100 0.075 0.000 0.763 382 P CB 0.672 32.390 31.700 0.029 0.000 0.807 383 V N 4.619 124.527 119.914 -0.010 0.000 2.149 383 V HA -0.028 4.090 4.120 -0.003 0.000 0.245 383 V C 1.680 177.796 176.094 0.037 0.000 1.349 383 V CA 0.280 62.595 62.300 0.025 0.000 1.289 383 V CB -0.457 31.214 31.823 -0.254 0.000 1.401 383 V HN 0.478 nan 8.190 nan 0.000 0.501 384 V N -0.191 119.733 119.914 0.017 0.000 3.573 384 V HA -0.059 4.059 4.120 -0.003 0.000 0.270 384 V C 1.995 177.904 176.094 -0.308 0.000 1.221 384 V CA 0.832 63.028 62.300 -0.173 0.000 1.163 384 V CB -1.306 30.368 31.823 -0.249 0.000 0.847 384 V HN 0.729 nan 8.190 nan 0.000 0.468 385 H N 1.646 120.450 119.070 -0.443 0.000 2.272 385 H HA -0.220 4.334 4.556 -0.003 0.000 0.289 385 H C 2.071 177.285 175.328 -0.189 0.000 1.100 385 H CA 2.714 58.574 56.048 -0.314 0.000 1.209 385 H CB -0.924 28.951 29.762 0.188 0.000 1.348 385 H HN 0.423 nan 8.280 nan 0.000 0.481 386 L N -0.706 120.505 121.223 -0.019 0.000 2.083 386 L HA -0.205 4.133 4.340 -0.003 0.000 0.209 386 L C 2.654 179.479 176.870 -0.076 0.000 1.083 386 L CA 1.617 56.414 54.840 -0.072 0.000 0.752 386 L CB -0.624 41.362 42.059 -0.122 0.000 0.899 386 L HN 0.501 nan 8.230 nan 0.000 0.433 387 H N 0.087 119.062 119.070 -0.159 0.000 2.321 387 H HA -0.137 4.417 4.556 -0.003 0.000 0.300 387 H C 2.229 177.472 175.328 -0.142 0.000 1.087 387 H CA 1.915 57.877 56.048 -0.143 0.000 1.319 387 H CB 0.337 30.012 29.762 -0.144 0.000 1.379 387 H HN 0.235 nan 8.280 nan 0.000 0.501 388 S N 0.765 116.333 115.700 -0.220 0.000 2.423 388 S HA -0.102 4.366 4.470 -0.003 0.000 0.231 388 S C 2.075 176.611 174.600 -0.107 0.000 1.014 388 S CA 0.658 58.735 58.200 -0.204 0.000 0.965 388 S CB -0.114 62.957 63.200 -0.216 0.000 0.785 388 S HN 0.508 nan 8.310 nan 0.000 0.495 389 Q N 0.452 120.201 119.800 -0.086 0.000 2.181 389 Q HA -0.021 4.318 4.340 -0.003 0.000 0.205 389 Q C 1.135 177.070 176.000 -0.109 0.000 0.980 389 Q CA 0.811 56.577 55.803 -0.062 0.000 0.862 389 Q CB -0.017 28.660 28.738 -0.102 0.000 0.905 389 Q HN 0.204 nan 8.270 nan 0.000 0.429 390 R N 0.593 120.999 120.500 -0.157 0.000 2.480 390 R HA 0.053 4.392 4.340 -0.003 0.000 0.277 390 R C -0.156 176.056 176.300 -0.147 0.000 1.008 390 R CA 0.069 56.086 56.100 -0.139 0.000 1.090 390 R CB 0.296 30.508 30.300 -0.147 0.000 1.234 390 R HN 0.221 nan 8.270 nan 0.000 0.549 391 Q N -1.729 117.990 119.800 -0.134 0.000 2.481 391 Q HA -0.146 4.192 4.340 -0.003 0.000 0.258 391 Q C 0.359 176.247 176.000 -0.186 0.000 0.961 391 Q CA 1.176 56.911 55.803 -0.113 0.000 1.121 391 Q CB -2.052 26.648 28.738 -0.064 0.000 1.503 391 Q HN 0.540 nan 8.270 nan 0.000 0.544 392 G N 0.511 109.069 108.800 -0.403 0.000 2.441 392 G HA2 0.317 4.275 3.960 -0.003 0.000 0.243 392 G HA3 0.317 4.275 3.960 -0.003 0.000 0.243 392 G C -0.120 174.657 174.900 -0.205 0.000 1.281 392 G CA -0.515 44.204 45.100 -0.634 0.000 0.854 392 G HN 0.089 nan 8.290 nan 0.000 0.560 393 K N 0.535 120.965 120.400 0.050 0.000 2.126 393 K HA 0.491 4.809 4.320 -0.003 0.000 0.257 393 K C -0.133 176.614 176.600 0.244 0.000 1.007 393 K CA -0.278 56.087 56.287 0.131 0.000 0.928 393 K CB 1.275 33.830 32.500 0.093 0.000 1.013 393 K HN 0.282 nan 8.250 nan 0.000 0.473 394 L N 1.371 122.706 121.223 0.187 0.000 2.341 394 L HA 0.424 4.763 4.340 -0.003 0.000 0.267 394 L C -0.454 176.567 176.870 0.252 0.000 1.009 394 L CA -0.896 54.073 54.840 0.215 0.000 0.819 394 L CB 1.991 44.190 42.059 0.234 0.000 1.323 394 L HN 0.662 nan 8.230 nan 0.000 0.425 395 N N 0.004 118.850 118.700 0.245 0.000 2.328 395 N HA 0.369 5.107 4.740 -0.003 0.000 0.299 395 N C -1.624 174.047 175.510 0.269 0.000 1.179 395 N CA -0.741 52.447 53.050 0.230 0.000 0.793 395 N CB 2.206 40.761 38.487 0.113 0.000 1.366 395 N HN 0.538 nan 8.380 nan 0.000 0.493 396 W N 2.537 123.858 121.300 0.035 0.000 2.335 396 W HA 0.213 4.871 4.660 -0.003 0.000 0.307 396 W C -1.012 175.456 176.519 -0.084 0.000 1.117 396 W CA -0.220 57.044 57.345 -0.134 0.000 1.228 396 W CB 0.837 30.182 29.460 -0.192 0.000 1.240 396 W HN 0.477 nan 8.180 nan 0.000 0.468 397 D N 4.534 124.469 120.400 -0.774 0.000 2.359 397 D HA 0.007 4.645 4.640 -0.003 0.000 0.230 397 D C 1.290 177.130 176.300 -0.768 0.000 1.118 397 D CA 0.073 53.733 54.000 -0.567 0.000 0.844 397 D CB 1.356 41.898 40.800 -0.429 0.000 1.059 397 D HN 0.461 nan 8.370 nan 0.000 0.493 398 T N 0.058 114.368 114.554 -0.407 0.000 3.160 398 T HA -0.066 4.282 4.350 -0.003 0.000 0.257 398 T C 1.581 175.938 174.700 -0.570 0.000 1.147 398 T CA 0.414 62.322 62.100 -0.321 0.000 1.064 398 T CB 0.300 69.183 68.868 0.025 0.000 0.949 398 T HN 0.188 nan 8.240 nan 0.000 0.526 399 S N 1.712 117.137 115.700 -0.459 0.000 2.371 399 S HA 0.134 4.602 4.470 -0.003 0.000 0.219 399 S C 1.802 176.170 174.600 -0.386 0.000 1.040 399 S CA 0.524 58.520 58.200 -0.340 0.000 0.958 399 S CB -0.308 62.776 63.200 -0.193 0.000 0.860 399 S HN 0.741 nan 8.310 nan 0.000 0.487 400 I N -2.497 117.855 120.570 -0.363 0.000 3.956 400 I HA 0.388 4.556 4.170 -0.003 0.000 0.333 400 I C -0.518 175.507 176.117 -0.154 0.000 1.302 400 I CA -0.174 61.022 61.300 -0.174 0.000 1.122 400 I CB -0.393 37.560 38.000 -0.079 0.000 1.013 400 I HN 0.195 nan 8.210 nan 0.000 0.405 401 H N 1.598 120.518 119.070 -0.250 0.000 2.765 401 H HA -0.052 4.502 4.556 -0.003 0.000 0.332 401 H C 0.023 175.005 175.328 -0.577 0.000 1.180 401 H CA 0.658 56.524 56.048 -0.302 0.000 1.142 401 H CB -1.355 28.544 29.762 0.229 0.000 1.576 401 H HN 0.760 nan 8.280 nan 0.000 0.420 402 A N 0.627 122.758 122.820 -1.148 0.000 2.599 402 A HA 0.632 4.951 4.320 -0.003 0.000 0.290 402 A C -0.910 176.222 177.584 -0.752 0.000 1.101 402 A CA -0.875 50.744 52.037 -0.696 0.000 0.674 402 A CB 1.075 20.005 19.000 -0.117 0.000 1.277 402 A HN 0.059 nan 8.150 nan 0.000 0.419 403 F N 0.781 120.703 119.950 -0.047 0.000 2.427 403 F HA 0.474 4.999 4.527 -0.003 0.000 0.352 403 F C 0.798 176.593 175.800 -0.009 0.000 1.100 403 F CA 0.269 58.315 58.000 0.078 0.000 1.191 403 F CB 1.568 40.708 39.000 0.234 0.000 1.128 403 F HN 0.539 nan 8.300 nan 0.000 0.533 404 V N 1.531 121.521 119.914 0.127 0.000 3.001 404 V HA 0.709 4.827 4.120 -0.003 0.000 0.314 404 V C -2.921 173.168 176.094 -0.009 0.000 1.099 404 V CA -3.273 59.034 62.300 0.010 0.000 0.989 404 V CB 1.920 33.705 31.823 -0.064 0.000 1.040 404 V HN 0.394 nan 8.190 nan 0.000 0.434 405 P HA 0.423 nan 4.420 nan 0.000 0.271 405 P C 0.009 177.222 177.300 -0.145 0.000 1.216 405 P CA 0.461 63.365 63.100 -0.326 0.000 0.776 405 P CB 1.058 32.335 31.700 -0.704 0.000 0.881 406 A N 3.056 125.861 122.820 -0.025 0.000 3.591 406 A HA 0.216 4.534 4.320 -0.003 0.000 0.163 406 A C 0.057 177.659 177.584 0.029 0.000 1.876 406 A CA 0.035 52.091 52.037 0.033 0.000 1.380 406 A CB -0.708 18.346 19.000 0.090 0.000 1.777 406 A HN 0.418 nan 8.150 nan 0.000 0.720 407 D N 1.002 121.440 120.400 0.065 0.000 2.458 407 D HA 0.417 5.056 4.640 -0.003 0.000 0.243 407 D C 0.395 176.764 176.300 0.115 0.000 1.146 407 D CA 0.829 54.861 54.000 0.052 0.000 0.877 407 D CB 0.838 41.659 40.800 0.035 0.000 1.176 407 D HN 0.619 nan 8.370 nan 0.000 0.461 408 A N 2.532 125.385 122.820 0.055 0.000 2.483 408 A HA 0.178 4.496 4.320 -0.003 0.000 0.238 408 A C 0.559 178.171 177.584 0.048 0.000 1.070 408 A CA -0.444 51.640 52.037 0.078 0.000 0.770 408 A CB 0.404 19.381 19.000 -0.039 0.000 1.008 408 A HN 0.412 nan 8.150 nan 0.000 0.497 409 V N 1.415 121.355 119.914 0.043 0.000 3.096 409 V HA 0.289 4.407 4.120 -0.003 0.000 0.306 409 V C 1.345 177.408 176.094 -0.052 0.000 1.088 409 V CA 0.220 62.497 62.300 -0.039 0.000 1.129 409 V CB 0.675 32.450 31.823 -0.080 0.000 1.014 409 V HN 1.243 nan 8.190 nan 0.000 0.486 410 A N 4.281 127.073 122.820 -0.046 0.000 2.584 410 A HA 0.093 4.411 4.320 -0.003 0.000 0.239 410 A C 1.082 178.637 177.584 -0.048 0.000 1.043 410 A CA 0.410 52.421 52.037 -0.044 0.000 0.756 410 A CB -0.626 18.360 19.000 -0.023 0.000 0.963 410 A HN 1.127 nan 8.150 nan 0.000 0.511 411 N N 0.269 118.928 118.700 -0.069 0.000 2.741 411 N HA -0.148 4.590 4.740 -0.003 0.000 0.250 411 N C -0.312 175.168 175.510 -0.050 0.000 1.115 411 N CA 1.736 54.763 53.050 -0.038 0.000 0.724 411 N CB -1.057 37.446 38.487 0.026 0.000 1.090 411 N HN 0.897 nan 8.380 nan 0.000 0.558 412 Q N -0.547 119.142 119.800 -0.187 0.000 2.458 412 Q HA 0.584 4.922 4.340 -0.003 0.000 0.282 412 Q C -0.953 174.809 176.000 -0.396 0.000 1.106 412 Q CA -0.591 55.146 55.803 -0.111 0.000 0.814 412 Q CB 1.852 30.574 28.738 -0.026 0.000 1.425 412 Q HN 0.310 nan 8.270 nan 0.000 0.437 413 H N -0.454 118.613 119.070 -0.006 0.000 2.895 413 H HA 0.590 5.144 4.556 -0.003 0.000 0.373 413 H C -1.154 174.154 175.328 -0.034 0.000 1.174 413 H CA -0.579 55.459 56.048 -0.017 0.000 1.144 413 H CB 1.406 31.156 29.762 -0.019 0.000 1.793 413 H HN 0.298 nan 8.280 nan 0.000 0.551 414 L N 1.406 122.664 121.223 0.058 0.000 2.362 414 L HA 0.894 5.233 4.340 -0.003 0.000 0.275 414 L C -0.421 176.437 176.870 -0.019 0.000 0.998 414 L CA -0.842 53.988 54.840 -0.017 0.000 0.820 414 L CB 1.784 43.794 42.059 -0.082 0.000 1.270 414 L HN 0.767 nan 8.230 nan 0.000 0.415 415 A N 1.784 124.580 122.820 -0.039 0.000 2.587 415 A HA 0.948 5.266 4.320 -0.003 0.000 0.293 415 A C -0.104 177.442 177.584 -0.063 0.000 1.087 415 A CA -0.032 51.978 52.037 -0.045 0.000 0.692 415 A CB 1.598 20.577 19.000 -0.034 0.000 1.291 415 A HN 1.122 nan 8.150 nan 0.000 0.407 416 G N -0.520 108.240 108.800 -0.067 0.000 2.681 416 G HA2 0.299 4.257 3.960 -0.003 0.000 0.220 416 G HA3 0.299 4.257 3.960 -0.003 0.000 0.220 416 G C 1.107 175.953 174.900 -0.089 0.000 1.353 416 G CA 0.715 45.767 45.100 -0.079 0.000 0.872 416 G HN 2.286 nan 8.290 nan 0.000 0.557 417 A N -1.048 121.712 122.820 -0.100 0.000 2.084 417 A HA 0.065 4.384 4.320 -0.003 0.000 0.221 417 A C 2.556 180.089 177.584 -0.085 0.000 1.161 417 A CA 2.760 54.732 52.037 -0.108 0.000 0.653 417 A CB -0.331 18.591 19.000 -0.129 0.000 0.802 417 A HN 1.974 nan 8.150 nan 0.000 0.457 418 L N 0.580 121.751 121.223 -0.087 0.000 2.127 418 L HA -0.135 4.203 4.340 -0.003 0.000 0.211 418 L C 2.480 179.293 176.870 -0.096 0.000 1.089 418 L CA 2.834 57.620 54.840 -0.089 0.000 0.757 418 L CB -0.904 41.092 42.059 -0.105 0.000 0.899 418 L HN 0.542 nan 8.230 nan 0.000 0.434 419 T N -4.428 110.070 114.554 -0.094 0.000 3.088 419 T HA 0.356 4.704 4.350 -0.003 0.000 0.259 419 T C 1.499 176.146 174.700 -0.089 0.000 1.122 419 T CA 0.540 62.583 62.100 -0.096 0.000 1.095 419 T CB 0.077 68.895 68.868 -0.083 0.000 0.930 419 T HN 0.628 nan 8.240 nan 0.000 0.508 420 G N 1.047 109.796 108.800 -0.085 0.000 2.316 420 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.203 420 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.203 420 G C -0.067 174.778 174.900 -0.091 0.000 0.999 420 G CA -0.273 44.773 45.100 -0.088 0.000 0.649 420 G HN 0.564 nan 8.290 nan 0.000 0.489 421 L N 2.091 123.260 121.223 -0.091 0.000 2.325 421 L HA 0.451 4.789 4.340 -0.003 0.000 0.284 421 L C 1.330 178.131 176.870 -0.114 0.000 1.089 421 L CA -0.379 54.404 54.840 -0.093 0.000 0.836 421 L CB 0.883 42.891 42.059 -0.084 0.000 1.184 421 L HN 0.105 nan 8.230 nan 0.000 0.444 422 L N 2.530 123.676 121.223 -0.129 0.000 2.685 422 L HA 0.152 4.490 4.340 -0.003 0.000 0.233 422 L C 0.344 177.110 176.870 -0.173 0.000 1.173 422 L CA -0.160 54.568 54.840 -0.186 0.000 0.961 422 L CB -0.489 41.421 42.059 -0.249 0.000 1.217 422 L HN 0.664 nan 8.230 nan 0.000 0.478 423 D N -1.999 118.322 120.400 -0.131 0.000 2.228 423 D HA 0.136 4.774 4.640 -0.003 0.000 0.247 423 D C 0.530 176.756 176.300 -0.123 0.000 0.995 423 D CA -0.463 53.466 54.000 -0.119 0.000 0.903 423 D CB 1.811 42.554 40.800 -0.095 0.000 1.205 423 D HN -0.222 nan 8.370 nan 0.000 0.459 424 T N 0.938 115.416 114.554 -0.127 0.000 2.788 424 T HA -0.080 4.268 4.350 -0.003 0.000 0.268 424 T C 1.900 176.509 174.700 -0.151 0.000 1.044 424 T CA 1.711 63.724 62.100 -0.145 0.000 1.139 424 T CB -0.274 68.499 68.868 -0.159 0.000 0.867 424 T HN 0.649 nan 8.240 nan 0.000 0.454 425 A N 1.452 124.192 122.820 -0.133 0.000 1.908 425 A HA -0.119 4.199 4.320 -0.003 0.000 0.218 425 A C 2.601 180.121 177.584 -0.108 0.000 1.181 425 A CA 2.026 53.989 52.037 -0.124 0.000 0.627 425 A CB -0.858 18.081 19.000 -0.101 0.000 0.818 425 A HN 0.452 nan 8.150 nan 0.000 0.445 426 S N -0.286 115.356 115.700 -0.097 0.000 2.383 426 S HA 0.050 4.518 4.470 -0.003 0.000 0.227 426 S C 2.277 176.826 174.600 -0.085 0.000 1.026 426 S CA 0.984 59.133 58.200 -0.084 0.000 0.981 426 S CB -0.410 62.741 63.200 -0.081 0.000 0.818 426 S HN 0.790 nan 8.310 nan 0.000 0.472 427 A N 1.777 124.537 122.820 -0.100 0.000 1.877 427 A HA -0.027 4.291 4.320 -0.003 0.000 0.216 427 A C 2.098 179.631 177.584 -0.087 0.000 1.186 427 A CA 1.228 53.209 52.037 -0.094 0.000 0.620 427 A CB -0.804 18.132 19.000 -0.106 0.000 0.822 427 A HN 0.448 nan 8.150 nan 0.000 0.443 428 L N -0.715 120.438 121.223 -0.117 0.000 2.083 428 L HA -0.151 4.187 4.340 -0.003 0.000 0.209 428 L C 2.914 179.744 176.870 -0.068 0.000 1.083 428 L CA 1.468 56.239 54.840 -0.114 0.000 0.752 428 L CB -0.451 41.485 42.059 -0.206 0.000 0.899 428 L HN 0.511 nan 8.230 nan 0.000 0.433 429 S N -0.407 115.250 115.700 -0.071 0.000 2.345 429 S HA -0.180 4.288 4.470 -0.003 0.000 0.220 429 S C 2.156 176.733 174.600 -0.038 0.000 1.031 429 S CA 1.952 60.122 58.200 -0.050 0.000 0.996 429 S CB -0.321 62.847 63.200 -0.053 0.000 0.882 429 S HN 0.612 nan 8.310 nan 0.000 0.445 430 T N -1.085 113.443 114.554 -0.042 0.000 2.867 430 T HA 0.091 4.439 4.350 -0.003 0.000 0.268 430 T C 1.968 176.651 174.700 -0.029 0.000 1.057 430 T CA 1.355 63.435 62.100 -0.033 0.000 1.136 430 T CB -1.228 67.617 68.868 -0.039 0.000 0.874 430 T HN 0.406 nan 8.240 nan 0.000 0.466 431 G N 1.503 110.283 108.800 -0.032 0.000 2.421 431 G HA2 0.032 3.990 3.960 -0.003 0.000 0.216 431 G HA3 0.032 3.990 3.960 -0.003 0.000 0.216 431 G C 1.936 176.823 174.900 -0.022 0.000 1.171 431 G CA 0.882 45.966 45.100 -0.026 0.000 0.775 431 G HN 0.725 nan 8.290 nan 0.000 0.543 432 A N 1.139 123.952 122.820 -0.010 0.000 1.902 432 A HA 0.261 4.579 4.320 -0.003 0.000 0.217 432 A C 2.821 180.392 177.584 -0.022 0.000 1.181 432 A CA 2.338 54.371 52.037 -0.006 0.000 0.623 432 A CB -0.813 18.192 19.000 0.008 0.000 0.818 432 A HN 0.808 nan 8.150 nan 0.000 0.443 433 A N -0.253 122.555 122.820 -0.021 0.000 1.902 433 A HA -0.099 4.219 4.320 -0.003 0.000 0.217 433 A C 2.450 180.016 177.584 -0.031 0.000 1.181 433 A CA 2.560 54.586 52.037 -0.018 0.000 0.623 433 A CB -1.383 17.612 19.000 -0.008 0.000 0.818 433 A HN 0.749 nan 8.150 nan 0.000 0.443 434 T N -2.728 111.802 114.554 -0.040 0.000 2.821 434 T HA 0.048 4.396 4.350 -0.003 0.000 0.267 434 T C 1.925 176.496 174.700 -0.214 0.000 1.046 434 T CA 1.490 63.536 62.100 -0.090 0.000 1.139 434 T CB -0.910 67.942 68.868 -0.026 0.000 0.871 434 T HN 0.401 nan 8.240 nan 0.000 0.454 435 G N 1.322 110.040 108.800 -0.136 0.000 2.418 435 G HA2 0.061 4.020 3.960 -0.003 0.000 0.217 435 G HA3 0.061 4.020 3.960 -0.003 0.000 0.217 435 G C 1.892 176.716 174.900 -0.127 0.000 1.158 435 G CA 0.797 45.814 45.100 -0.139 0.000 0.771 435 G HN 0.735 nan 8.290 nan 0.000 0.545 436 A N 0.987 123.756 122.820 -0.086 0.000 1.929 436 A HA 0.392 4.710 4.320 -0.003 0.000 0.216 436 A C 2.770 180.320 177.584 -0.056 0.000 1.176 436 A CA 1.976 53.982 52.037 -0.052 0.000 0.628 436 A CB -0.630 18.355 19.000 -0.025 0.000 0.816 436 A HN 0.705 nan 8.150 nan 0.000 0.444 437 A N -0.118 122.651 122.820 -0.086 0.000 1.930 437 A HA 0.226 4.544 4.320 -0.003 0.000 0.217 437 A C 2.459 179.972 177.584 -0.118 0.000 1.175 437 A CA 1.858 53.864 52.037 -0.051 0.000 0.627 437 A CB -0.871 18.145 19.000 0.027 0.000 0.815 437 A HN 0.927 nan 8.150 nan 0.000 0.443 438 A N 0.026 122.610 122.820 -0.392 0.000 1.855 438 A HA 0.191 4.509 4.320 -0.003 0.000 0.215 438 A C 2.538 180.076 177.584 -0.076 0.000 1.191 438 A CA 2.062 53.875 52.037 -0.373 0.000 0.613 438 A CB -1.147 17.563 19.000 -0.484 0.000 0.829 438 A HN 1.026 nan 8.150 nan 0.000 0.442 439 A N -0.292 122.492 122.820 -0.060 0.000 1.865 439 A HA -0.130 4.188 4.320 -0.003 0.000 0.217 439 A C 2.458 180.114 177.584 0.121 0.000 1.191 439 A CA 2.323 54.383 52.037 0.040 0.000 0.623 439 A CB -1.097 17.912 19.000 0.015 0.000 0.826 439 A HN 0.480 nan 8.150 nan 0.000 0.444 440 S N -0.011 115.731 115.700 0.070 0.000 2.370 440 S HA -0.116 4.352 4.470 -0.003 0.000 0.226 440 S C 2.230 176.874 174.600 0.073 0.000 1.033 440 S CA 1.354 59.596 58.200 0.071 0.000 1.011 440 S CB -0.544 62.682 63.200 0.043 0.000 0.852 440 S HN 0.849 nan 8.310 nan 0.000 0.457 441 A N 0.934 123.803 122.820 0.082 0.000 2.067 441 A HA 0.276 4.594 4.320 -0.003 0.000 0.219 441 A C 2.061 179.704 177.584 0.098 0.000 1.158 441 A CA 1.342 53.435 52.037 0.093 0.000 0.661 441 A CB -0.595 18.491 19.000 0.143 0.000 0.801 441 A HN 0.510 nan 8.150 nan 0.000 0.452 442 A N -1.918 120.980 122.820 0.131 0.000 2.251 442 A HA 0.438 4.757 4.320 -0.003 0.000 0.209 442 A C 1.598 179.286 177.584 0.173 0.000 1.187 442 A CA 1.092 53.234 52.037 0.176 0.000 0.823 442 A CB -0.678 18.456 19.000 0.222 0.000 0.846 442 A HN 1.767 nan 8.150 nan 0.000 0.486 443 G N -2.139 106.700 108.800 0.065 0.000 2.148 443 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.203 443 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.203 443 G C -0.165 174.500 174.900 -0.393 0.000 0.993 443 G CA -0.046 44.958 45.100 -0.159 0.000 0.661 443 G HN 0.397 nan 8.290 nan 0.000 0.518 444 F N 1.820 121.771 119.950 0.001 0.000 2.564 444 F HA 0.430 4.955 4.527 -0.003 0.000 0.368 444 F C 0.553 176.348 175.800 -0.008 0.000 1.127 444 F CA -0.976 57.022 58.000 -0.004 0.000 1.170 444 F CB 1.237 40.233 39.000 -0.007 0.000 1.397 444 F HN 0.173 nan 8.300 nan 0.000 0.493 445 E N 3.339 123.590 120.200 0.086 0.000 2.502 445 E HA 0.044 4.392 4.350 -0.003 0.000 0.261 445 E C -0.581 176.060 176.600 0.069 0.000 0.974 445 E CA 0.425 56.859 56.400 0.057 0.000 0.936 445 E CB 0.735 30.448 29.700 0.022 0.000 0.926 445 E HN 0.410 nan 8.360 nan 0.000 0.459 446 K N 4.329 124.756 120.400 0.045 0.000 2.561 446 K HA 0.344 4.663 4.320 -0.003 0.000 0.254 446 K C -1.635 174.974 176.600 0.015 0.000 0.942 446 K CA -0.390 55.916 56.287 0.031 0.000 0.818 446 K CB 1.084 33.599 32.500 0.026 0.000 1.306 446 K HN 0.440 nan 8.250 nan 0.000 0.435 447 I N 3.741 124.318 120.570 0.011 0.000 2.312 447 I HA 0.439 4.607 4.170 -0.003 0.000 0.290 447 I C 0.224 176.343 176.117 0.003 0.000 1.008 447 I CA -1.143 60.161 61.300 0.006 0.000 1.226 447 I CB 1.747 39.750 38.000 0.006 0.000 1.371 447 I HN 0.800 nan 8.210 nan 0.000 0.468 448 A N 5.959 128.779 122.820 -0.001 0.000 2.567 448 A HA 0.038 4.356 4.320 -0.003 0.000 0.240 448 A C 0.190 177.775 177.584 0.002 0.000 1.053 448 A CA 0.291 52.327 52.037 -0.002 0.000 0.755 448 A CB 0.034 19.030 19.000 -0.006 0.000 0.978 448 A HN 0.797 nan 8.150 nan 0.000 0.507 449 E N 2.631 122.836 120.200 0.008 0.000 2.129 449 E HA 0.461 4.809 4.350 -0.003 0.000 0.268 449 E C -1.277 175.336 176.600 0.022 0.000 0.900 449 E CA -0.585 55.823 56.400 0.014 0.000 0.755 449 E CB 1.183 30.895 29.700 0.019 0.000 1.117 449 E HN 0.438 nan 8.360 nan 0.000 0.410 450 V N 6.622 126.543 119.914 0.011 0.000 2.432 450 V HA 0.228 4.346 4.120 -0.003 0.000 0.271 450 V C -2.068 174.028 176.094 0.002 0.000 1.046 450 V CA -1.559 60.742 62.300 0.002 0.000 0.945 450 V CB 0.738 32.550 31.823 -0.018 0.000 0.992 450 V HN 0.708 nan 8.190 nan 0.000 0.471 451 P HA 0.202 nan 4.420 nan 0.000 0.271 451 P C -0.606 176.621 177.300 -0.123 0.000 1.216 451 P CA -0.286 62.794 63.100 -0.033 0.000 0.776 451 P CB 0.447 32.106 31.700 -0.070 0.000 0.881 452 Q N 1.401 121.127 119.800 -0.122 0.000 2.241 452 Q HA 0.695 5.034 4.340 -0.003 0.000 0.254 452 Q C -0.471 175.425 176.000 -0.172 0.000 0.917 452 Q CA -0.385 55.344 55.803 -0.122 0.000 0.919 452 Q CB 2.041 30.734 28.738 -0.075 0.000 1.237 452 Q HN 0.470 nan 8.270 nan 0.000 0.434 453 A N 2.661 125.390 122.820 -0.152 0.000 2.486 453 A HA 0.587 4.905 4.320 -0.003 0.000 0.300 453 A C -0.622 176.896 177.584 -0.109 0.000 1.048 453 A CA -0.738 51.206 52.037 -0.156 0.000 0.696 453 A CB 1.030 19.914 19.000 -0.193 0.000 1.278 453 A HN 0.680 nan 8.150 nan 0.000 0.405 454 L N 1.423 122.589 121.223 -0.094 0.000 2.499 454 L HA 0.287 4.625 4.340 -0.003 0.000 0.281 454 L C 1.190 178.017 176.870 -0.072 0.000 1.234 454 L CA -0.097 54.699 54.840 -0.072 0.000 0.839 454 L CB 0.537 42.559 42.059 -0.061 0.000 1.104 454 L HN 0.872 nan 8.230 nan 0.000 0.500 455 A N 3.027 125.811 122.820 -0.060 0.000 2.440 455 A HA 0.441 4.759 4.320 -0.003 0.000 0.251 455 A C -0.161 177.391 177.584 -0.053 0.000 1.089 455 A CA -0.278 51.725 52.037 -0.057 0.000 0.779 455 A CB 0.401 19.372 19.000 -0.048 0.000 1.022 455 A HN 0.449 nan 8.150 nan 0.000 0.492 456 V N 5.652 125.533 119.914 -0.055 0.000 2.313 456 V HA 0.190 4.308 4.120 -0.003 0.000 0.262 456 V C -2.252 173.815 176.094 -0.045 0.000 1.011 456 V CA -1.100 61.171 62.300 -0.048 0.000 0.858 456 V CB 0.426 32.218 31.823 -0.053 0.000 1.104 456 V HN 0.877 nan 8.190 nan 0.000 0.456 457 P HA 0.084 nan 4.420 nan 0.000 0.261 457 P C 0.291 177.573 177.300 -0.031 0.000 1.165 457 P CA 0.529 63.607 63.100 -0.036 0.000 0.759 457 P CB 0.491 32.171 31.700 -0.033 0.000 0.772 458 A N 3.002 125.803 122.820 -0.032 0.000 2.445 458 A HA 0.529 4.847 4.320 -0.003 0.000 0.242 458 A C 0.856 178.433 177.584 -0.012 0.000 1.075 458 A CA 0.637 52.659 52.037 -0.025 0.000 0.777 458 A CB -0.025 18.955 19.000 -0.033 0.000 1.013 458 A HN 0.633 nan 8.150 nan 0.000 0.493 459 G N -0.207 108.596 108.800 0.005 0.000 2.932 459 G HA2 0.527 4.485 3.960 -0.003 0.000 0.283 459 G HA3 0.527 4.485 3.960 -0.003 0.000 0.283 459 G C -0.427 174.489 174.900 0.027 0.000 1.336 459 G CA -0.478 44.630 45.100 0.014 0.000 1.056 459 G HN 0.909 nan 8.290 nan 0.000 0.522 460 E N -0.838 119.382 120.200 0.034 0.000 2.398 460 E HA 0.335 4.683 4.350 -0.003 0.000 0.263 460 E C -0.808 175.836 176.600 0.073 0.000 1.046 460 E CA 0.167 56.597 56.400 0.050 0.000 0.908 460 E CB 0.540 30.267 29.700 0.045 0.000 0.963 460 E HN 0.178 nan 8.360 nan 0.000 0.431 461 T N 4.653 119.271 114.554 0.106 0.000 2.847 461 T HA 0.253 4.601 4.350 -0.003 0.000 0.291 461 T C -0.459 174.322 174.700 0.136 0.000 0.998 461 T CA -0.574 61.603 62.100 0.128 0.000 0.967 461 T CB 0.869 69.838 68.868 0.168 0.000 0.954 461 T HN 0.420 nan 8.240 nan 0.000 0.441 462 R N 4.704 125.206 120.500 0.003 0.000 2.297 462 R HA 0.369 4.707 4.340 -0.003 0.000 0.308 462 R C -2.491 173.624 176.300 -0.308 0.000 1.029 462 R CA -1.926 54.103 56.100 -0.120 0.000 0.929 462 R CB 0.706 30.949 30.300 -0.095 0.000 1.046 462 R HN 0.287 nan 8.270 nan 0.000 0.461 463 P HA 0.080 nan 4.420 nan 0.000 0.282 463 P C -1.002 175.825 177.300 -0.790 0.000 1.274 463 P CA -0.204 62.370 63.100 -0.877 0.000 0.770 463 P CB 1.272 32.451 31.700 -0.868 0.000 0.867 464 V N 4.992 124.396 119.914 -0.849 0.000 2.327 464 V HA 0.178 4.296 4.120 -0.003 0.000 0.272 464 V C 0.506 176.375 176.094 -0.375 0.000 1.019 464 V CA -0.260 61.770 62.300 -0.450 0.000 0.814 464 V CB 0.510 32.209 31.823 -0.208 0.000 1.040 464 V HN 0.601 nan 8.190 nan 0.000 0.440 465 W N 3.338 124.683 121.300 0.074 0.000 2.658 465 W HA 0.372 5.031 4.660 -0.003 0.000 0.263 465 W C 0.327 176.911 176.519 0.108 0.000 1.274 465 W CA -0.185 57.213 57.345 0.089 0.000 1.343 465 W CB 0.624 30.118 29.460 0.057 0.000 1.106 465 W HN 0.450 nan 8.180 nan 0.000 0.615 466 L N 0.252 121.644 121.223 0.282 0.000 2.752 466 L HA 0.377 4.715 4.340 -0.003 0.000 0.257 466 L C -0.898 176.126 176.870 0.257 0.000 0.968 466 L CA -0.919 54.080 54.840 0.266 0.000 0.953 466 L CB 0.674 42.842 42.059 0.182 0.000 1.286 466 L HN -0.295 nan 8.230 nan 0.000 0.443 467 V N 6.926 127.041 119.914 0.334 0.000 2.508 467 V HA 0.352 4.470 4.120 -0.003 0.000 0.281 467 V C -1.770 174.592 176.094 0.446 0.000 1.041 467 V CA -1.105 61.382 62.300 0.311 0.000 1.016 467 V CB 0.716 32.711 31.823 0.287 0.000 0.984 467 V HN 0.657 nan 8.190 nan 0.000 0.478 468 P HA 0.051 nan 4.420 nan 0.000 0.269 468 P C -0.171 177.326 177.300 0.328 0.000 1.217 468 P CA 0.159 63.483 63.100 0.373 0.000 0.783 468 P CB 0.464 32.295 31.700 0.218 0.000 0.898 469 S N 1.253 117.043 115.700 0.150 0.000 2.565 469 S HA 0.174 4.642 4.470 -0.003 0.000 0.274 469 S C 1.253 175.843 174.600 -0.016 0.000 1.309 469 S CA -0.513 57.672 58.200 -0.024 0.000 1.043 469 S CB -0.312 62.622 63.200 -0.443 0.000 0.939 469 S HN 0.298 nan 8.310 nan 0.000 0.504 470 L N 4.035 125.260 121.223 0.003 0.000 2.456 470 L HA 0.001 4.339 4.340 -0.003 0.000 0.224 470 L C 2.173 178.993 176.870 -0.083 0.000 1.148 470 L CA 0.570 55.400 54.840 -0.016 0.000 0.825 470 L CB -0.282 41.781 42.059 0.007 0.000 0.937 470 L HN 0.601 nan 8.230 nan 0.000 0.450 471 S N -1.054 114.547 115.700 -0.165 0.000 2.486 471 S HA 0.342 4.810 4.470 -0.003 0.000 0.220 471 S C 0.757 174.980 174.600 -0.627 0.000 1.011 471 S CA 0.560 58.570 58.200 -0.317 0.000 0.921 471 S CB 0.649 63.691 63.200 -0.262 0.000 0.785 471 S HN 0.572 nan 8.310 nan 0.000 0.517 472 G N 0.415 108.887 108.800 -0.546 0.000 2.320 472 G HA2 0.198 4.156 3.960 -0.003 0.000 0.297 472 G HA3 0.198 4.156 3.960 -0.003 0.000 0.297 472 G C -1.505 173.391 174.900 -0.006 0.000 1.344 472 G CA -0.477 44.385 45.100 -0.396 0.000 0.851 472 G HN 0.051 nan 8.290 nan 0.000 0.567 473 D N -0.534 119.973 120.400 0.178 0.000 2.389 473 D HA 0.092 4.730 4.640 -0.003 0.000 0.206 473 D C 0.289 176.814 176.300 0.376 0.000 1.055 473 D CA 0.183 54.362 54.000 0.299 0.000 0.856 473 D CB 0.758 41.646 40.800 0.147 0.000 0.957 473 D HN 0.383 nan 8.370 nan 0.000 0.509 474 D N 0.356 121.012 120.400 0.427 0.000 2.399 474 D HA 0.175 4.814 4.640 -0.003 0.000 0.241 474 D C 1.375 177.830 176.300 0.258 0.000 1.133 474 D CA -0.037 54.122 54.000 0.265 0.000 0.890 474 D CB 1.310 42.207 40.800 0.161 0.000 1.201 474 D HN -0.055 nan 8.370 nan 0.000 0.432 475 A N 2.922 125.801 122.820 0.099 0.000 1.948 475 A HA -0.191 4.127 4.320 -0.003 0.000 0.220 475 A C 2.270 179.869 177.584 0.026 0.000 1.177 475 A CA 1.693 53.778 52.037 0.079 0.000 0.636 475 A CB -0.942 18.042 19.000 -0.027 0.000 0.815 475 A HN 0.536 nan 8.150 nan 0.000 0.449 476 V N 0.138 119.961 119.914 -0.151 0.000 2.568 476 V HA -0.232 3.886 4.120 -0.003 0.000 0.253 476 V C 2.004 177.927 176.094 -0.286 0.000 1.072 476 V CA 2.280 64.424 62.300 -0.260 0.000 1.084 476 V CB -1.021 30.596 31.823 -0.343 0.000 0.676 476 V HN 0.736 nan 8.190 nan 0.000 0.469 477 H N -1.859 117.170 119.070 -0.068 0.000 2.556 477 H HA 0.038 4.592 4.556 -0.003 0.000 0.268 477 H C 0.726 175.747 175.328 -0.512 0.000 0.996 477 H CA 0.799 56.702 56.048 -0.240 0.000 1.157 477 H CB -0.090 29.493 29.762 -0.298 0.000 1.355 477 H HN 0.628 nan 8.280 nan 0.000 0.597 478 Y N -0.110 120.140 120.300 -0.084 0.000 2.696 478 Y HA 0.199 4.747 4.550 -0.003 0.000 0.260 478 Y C 1.480 177.256 175.900 -0.207 0.000 1.165 478 Y CA -0.338 57.641 58.100 -0.201 0.000 1.189 478 Y CB 0.518 38.760 38.460 -0.362 0.000 1.180 478 Y HN -0.074 nan 8.280 nan 0.000 0.538 479 K N -0.221 119.999 120.400 -0.301 0.000 2.555 479 K HA 0.044 4.362 4.320 -0.003 0.000 0.193 479 K C -0.268 175.768 176.600 -0.940 0.000 1.032 479 K CA 0.914 56.827 56.287 -0.623 0.000 1.004 479 K CB 0.018 32.039 32.500 -0.797 0.000 0.804 479 K HN 0.255 nan 8.250 nan 0.000 0.496 480 F N -1.148 118.720 119.950 -0.138 0.000 2.775 480 F HA 0.177 4.702 4.527 -0.003 0.000 0.313 480 F C -0.227 175.404 175.800 -0.282 0.000 1.121 480 F CA -0.750 57.085 58.000 -0.275 0.000 1.206 480 F CB 0.126 39.128 39.000 0.003 0.000 1.052 480 F HN -0.090 nan 8.300 nan 0.000 0.524 481 H N 0.393 119.328 119.070 -0.224 0.000 2.914 481 H HA 0.270 4.824 4.556 -0.003 0.000 0.264 481 H C -0.505 174.702 175.328 -0.201 0.000 1.433 481 H CA -0.817 55.185 56.048 -0.077 0.000 1.342 481 H CB -0.398 29.430 29.762 0.110 0.000 1.582 481 H HN -0.080 nan 8.280 nan 0.000 0.525 482 F N 1.764 121.736 119.950 0.037 0.000 2.495 482 F HA 0.015 4.540 4.527 -0.003 0.000 0.365 482 F C 1.194 176.996 175.800 0.004 0.000 1.090 482 F CA -0.033 57.971 58.000 0.007 0.000 1.235 482 F CB 0.756 39.723 39.000 -0.055 0.000 1.119 482 F HN 0.288 nan 8.300 nan 0.000 0.562 483 V N 0.386 120.403 119.914 0.172 0.000 2.908 483 V HA 0.031 4.149 4.120 -0.003 0.000 0.240 483 V C 0.105 176.267 176.094 0.112 0.000 1.117 483 V CA 0.796 63.174 62.300 0.130 0.000 1.133 483 V CB 0.093 31.977 31.823 0.102 0.000 0.857 483 V HN 0.672 nan 8.190 nan 0.000 0.478 484 D N 0.022 120.497 120.400 0.125 0.000 2.440 484 D HA 0.312 4.950 4.640 -0.003 0.000 0.252 484 D C 0.783 177.129 176.300 0.077 0.000 1.180 484 D CA -0.155 53.892 54.000 0.079 0.000 0.894 484 D CB 1.631 42.478 40.800 0.079 0.000 1.111 484 D HN 0.050 nan 8.370 nan 0.000 0.544 485 L N 2.418 123.614 121.223 -0.046 0.000 1.989 485 L HA -0.207 4.131 4.340 -0.003 0.000 0.211 485 L C 2.572 179.366 176.870 -0.126 0.000 1.071 485 L CA 1.350 56.088 54.840 -0.170 0.000 0.749 485 L CB -0.269 41.563 42.059 -0.377 0.000 0.890 485 L HN 0.483 nan 8.230 nan 0.000 0.431 486 Q N -0.253 119.488 119.800 -0.099 0.000 2.135 486 Q HA -0.190 4.148 4.340 -0.003 0.000 0.204 486 Q C 2.098 178.085 176.000 -0.021 0.000 0.981 486 Q CA 1.309 57.064 55.803 -0.079 0.000 0.856 486 Q CB 0.163 28.864 28.738 -0.062 0.000 0.902 486 Q HN 0.271 nan 8.270 nan 0.000 0.425 487 R N 0.552 121.087 120.500 0.058 0.000 2.313 487 R HA -0.001 4.337 4.340 -0.003 0.000 0.199 487 R C -0.169 176.294 176.300 0.272 0.000 0.958 487 R CA 0.443 56.648 56.100 0.174 0.000 1.047 487 R CB -0.163 30.223 30.300 0.143 0.000 0.955 487 R HN 0.304 nan 8.270 nan 0.000 0.481 488 D N 1.365 121.893 120.400 0.213 0.000 2.772 488 D HA -0.144 4.494 4.640 -0.003 0.000 0.233 488 D C -0.604 175.917 176.300 0.368 0.000 1.143 488 D CA 1.003 55.210 54.000 0.345 0.000 0.700 488 D CB -0.395 40.625 40.800 0.367 0.000 1.076 488 D HN 0.135 nan 8.370 nan 0.000 0.430 489 Q N -0.192 119.774 119.800 0.277 0.000 2.256 489 Q HA 0.579 4.917 4.340 -0.003 0.000 0.257 489 Q C 0.905 176.955 176.000 0.084 0.000 0.936 489 Q CA -0.203 55.686 55.803 0.142 0.000 0.903 489 Q CB 1.916 30.714 28.738 0.100 0.000 1.263 489 Q HN 0.396 nan 8.270 nan 0.000 0.440 490 T N -3.368 111.149 114.554 -0.063 0.000 2.858 490 T HA 0.432 4.780 4.350 -0.003 0.000 0.285 490 T C 1.138 175.801 174.700 -0.061 0.000 1.052 490 T CA -0.682 61.323 62.100 -0.158 0.000 1.009 490 T CB 0.457 69.080 68.868 -0.408 0.000 1.241 490 T HN 0.127 nan 8.240 nan 0.000 0.542 491 V N 1.147 121.049 119.914 -0.020 0.000 2.469 491 V HA -0.088 4.030 4.120 -0.003 0.000 0.251 491 V C 3.125 179.179 176.094 -0.067 0.000 1.064 491 V CA 2.377 64.662 62.300 -0.025 0.000 1.066 491 V CB -1.598 30.213 31.823 -0.019 0.000 0.667 491 V HN 1.034 nan 8.190 nan 0.000 0.461 492 A N -0.152 122.629 122.820 -0.064 0.000 1.902 492 A HA -0.254 4.064 4.320 -0.003 0.000 0.217 492 A C 2.036 179.581 177.584 -0.066 0.000 1.181 492 A CA 1.984 53.977 52.037 -0.075 0.000 0.623 492 A CB -0.530 18.398 19.000 -0.119 0.000 0.818 492 A HN 0.568 nan 8.150 nan 0.000 0.443 493 D N -0.201 120.166 120.400 -0.055 0.000 2.117 493 D HA -0.096 4.542 4.640 -0.003 0.000 0.198 493 D C 2.090 178.397 176.300 0.013 0.000 0.982 493 D CA 1.484 55.482 54.000 -0.002 0.000 0.828 493 D CB -0.340 40.464 40.800 0.007 0.000 0.967 493 D HN 0.249 nan 8.370 nan 0.000 0.464 494 V N 1.518 121.421 119.914 -0.017 0.000 2.343 494 V HA -0.213 3.906 4.120 -0.003 0.000 0.247 494 V C 2.690 178.734 176.094 -0.083 0.000 1.051 494 V CA 1.075 63.354 62.300 -0.036 0.000 1.036 494 V CB -0.461 31.338 31.823 -0.040 0.000 0.654 494 V HN 0.180 nan 8.190 nan 0.000 0.451 495 L N -0.391 120.777 121.223 -0.093 0.000 2.131 495 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 495 L C 2.730 179.531 176.870 -0.115 0.000 1.092 495 L CA 1.681 56.453 54.840 -0.113 0.000 0.759 495 L CB -0.517 41.472 42.059 -0.117 0.000 0.903 495 L HN 0.278 nan 8.230 nan 0.000 0.435 496 R N 0.069 120.515 120.500 -0.089 0.000 2.092 496 R HA -0.140 4.198 4.340 -0.003 0.000 0.231 496 R C 2.284 178.425 176.300 -0.265 0.000 1.119 496 R CA 1.231 57.279 56.100 -0.086 0.000 0.970 496 R CB -0.115 30.206 30.300 0.035 0.000 0.864 496 R HN 0.331 nan 8.270 nan 0.000 0.440 497 A N 0.326 122.918 122.820 -0.379 0.000 1.873 497 A HA -0.144 4.174 4.320 -0.003 0.000 0.215 497 A C 2.200 179.515 177.584 -0.448 0.000 1.186 497 A CA 1.946 53.518 52.037 -0.776 0.000 0.616 497 A CB -0.996 17.704 19.000 -0.500 0.000 0.823 497 A HN 0.602 nan 8.150 nan 0.000 0.442 498 T N -2.569 111.831 114.554 -0.257 0.000 2.833 498 T HA 0.014 4.362 4.350 -0.003 0.000 0.269 498 T C 1.826 176.426 174.700 -0.167 0.000 1.054 498 T CA 1.503 63.495 62.100 -0.180 0.000 1.135 498 T CB -0.813 67.977 68.868 -0.131 0.000 0.869 498 T HN 0.421 nan 8.240 nan 0.000 0.466 499 G N 0.909 109.607 108.800 -0.170 0.000 2.471 499 G HA2 0.197 4.155 3.960 -0.003 0.000 0.219 499 G HA3 0.197 4.155 3.960 -0.003 0.000 0.219 499 G C 1.638 176.453 174.900 -0.142 0.000 1.125 499 G CA 0.431 45.452 45.100 -0.132 0.000 0.775 499 G HN 0.741 nan 8.290 nan 0.000 0.548 500 A N -0.527 122.167 122.820 -0.211 0.000 2.238 500 A HA 0.482 4.800 4.320 -0.003 0.000 0.208 500 A C 1.929 179.414 177.584 -0.164 0.000 1.177 500 A CA 1.335 53.255 52.037 -0.195 0.000 0.804 500 A CB -0.276 18.545 19.000 -0.299 0.000 0.823 500 A HN 1.472 nan 8.150 nan 0.000 0.482 501 G N -2.018 106.689 108.800 -0.154 0.000 2.184 501 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.206 501 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.206 501 G C 0.120 174.955 174.900 -0.110 0.000 0.995 501 G CA 0.067 45.099 45.100 -0.113 0.000 0.651 501 G HN 0.335 nan 8.290 nan 0.000 0.511 502 M N 0.272 119.781 119.600 -0.152 0.000 2.274 502 M HA 0.544 5.022 4.480 -0.003 0.000 0.344 502 M C 1.240 177.512 176.300 -0.046 0.000 1.161 502 M CA 0.274 55.519 55.300 -0.091 0.000 1.126 502 M CB 1.371 33.877 32.600 -0.157 0.000 1.522 502 M HN 0.205 nan 8.290 nan 0.000 0.461 503 Q N -0.043 119.769 119.800 0.020 0.000 2.360 503 Q HA 0.146 4.484 4.340 -0.003 0.000 0.261 503 Q C 0.275 176.267 176.000 -0.014 0.000 0.802 503 Q CA -0.116 55.678 55.803 -0.015 0.000 0.983 503 Q CB 1.055 29.780 28.738 -0.022 0.000 1.211 503 Q HN 0.777 nan 8.270 nan 0.000 0.523 504 S N 0.709 116.414 115.700 0.008 0.000 2.560 504 S HA 0.030 4.499 4.470 -0.003 0.000 0.284 504 S C 1.162 175.736 174.600 -0.044 0.000 1.327 504 S CA -0.253 57.911 58.200 -0.061 0.000 1.055 504 S CB 1.380 64.465 63.200 -0.192 0.000 0.868 504 S HN 0.216 nan 8.310 nan 0.000 0.506 505 V N 4.649 124.523 119.914 -0.067 0.000 2.594 505 V HA -0.065 4.053 4.120 -0.003 0.000 0.253 505 V C 2.138 178.203 176.094 -0.049 0.000 1.069 505 V CA 2.048 64.314 62.300 -0.058 0.000 1.082 505 V CB -0.650 31.126 31.823 -0.079 0.000 0.680 505 V HN 0.898 nan 8.190 nan 0.000 0.469 506 E N -0.650 119.501 120.200 -0.082 0.000 2.106 506 E HA -0.182 4.166 4.350 -0.003 0.000 0.192 506 E C 1.965 178.573 176.600 0.014 0.000 0.984 506 E CA 1.616 57.971 56.400 -0.075 0.000 0.806 506 E CB -0.336 29.278 29.700 -0.142 0.000 0.750 506 E HN 0.818 nan 8.360 nan 0.000 0.458 507 H N -0.039 119.019 119.070 -0.020 0.000 2.333 507 H HA -0.015 4.539 4.556 -0.003 0.000 0.302 507 H C 2.088 177.429 175.328 0.020 0.000 1.075 507 H CA 0.550 56.597 56.048 -0.001 0.000 1.348 507 H CB 0.294 30.042 29.762 -0.024 0.000 1.393 507 H HN 0.038 nan 8.280 nan 0.000 0.509 508 I N 1.438 122.082 120.570 0.123 0.000 2.208 508 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 508 I C 2.382 178.554 176.117 0.091 0.000 1.097 508 I CA 1.352 62.693 61.300 0.068 0.000 1.363 508 I CB -0.951 37.055 38.000 0.011 0.000 1.051 508 I HN 0.282 nan 8.210 nan 0.000 0.413 509 K N 1.469 121.903 120.400 0.058 0.000 2.009 509 K HA -0.197 4.121 4.320 -0.003 0.000 0.210 509 K C 2.316 178.951 176.600 0.058 0.000 1.049 509 K CA 1.748 58.058 56.287 0.038 0.000 0.929 509 K CB -0.075 32.425 32.500 -0.001 0.000 0.714 509 K HN 0.202 nan 8.250 nan 0.000 0.440 510 R N -1.027 119.520 120.500 0.078 0.000 2.115 510 R HA -0.124 4.214 4.340 -0.003 0.000 0.226 510 R C 2.323 178.666 176.300 0.072 0.000 1.100 510 R CA 1.391 57.532 56.100 0.068 0.000 0.980 510 R CB -0.343 30.005 30.300 0.081 0.000 0.875 510 R HN 0.358 nan 8.270 nan 0.000 0.445 511 Y N 1.288 121.583 120.300 -0.008 0.000 2.220 511 Y HA -0.202 4.347 4.550 -0.003 0.000 0.291 511 Y C 2.539 178.416 175.900 -0.038 0.000 1.129 511 Y CA 1.896 59.976 58.100 -0.033 0.000 1.161 511 Y CB 0.019 38.454 38.460 -0.043 0.000 0.997 511 Y HN 0.075 nan 8.280 nan 0.000 0.522 512 T N -3.362 111.294 114.554 0.171 0.000 3.051 512 T HA 0.050 4.398 4.350 -0.003 0.000 0.255 512 T C 1.240 175.947 174.700 0.012 0.000 1.085 512 T CA 0.762 62.913 62.100 0.085 0.000 1.109 512 T CB -0.487 68.448 68.868 0.112 0.000 0.921 512 T HN 0.633 nan 8.240 nan 0.000 0.488 513 S N -0.017 115.693 115.700 0.017 0.000 3.171 513 S HA -0.160 4.308 4.470 -0.003 0.000 0.279 513 S C 0.050 174.670 174.600 0.034 0.000 1.294 513 S CA 0.287 58.495 58.200 0.013 0.000 1.077 513 S CB -2.945 60.254 63.200 -0.003 0.000 1.298 513 S HN 0.711 nan 8.310 nan 0.000 0.666 514 I N 2.900 123.495 120.570 0.040 0.000 2.683 514 I HA 0.225 4.393 4.170 -0.003 0.000 0.286 514 I C 1.505 177.638 176.117 0.026 0.000 1.175 514 I CA 1.274 62.599 61.300 0.043 0.000 1.429 514 I CB 0.618 38.645 38.000 0.045 0.000 1.371 514 I HN 1.246 nan 8.210 nan 0.000 0.569 515 S N 2.238 117.956 115.700 0.030 0.000 3.361 515 S HA -0.202 4.266 4.470 -0.003 0.000 0.288 515 S C 0.738 175.344 174.600 0.010 0.000 1.269 515 S CA 1.007 59.218 58.200 0.018 0.000 0.976 515 S CB -2.331 60.865 63.200 -0.006 0.000 1.162 515 S HN 0.958 nan 8.310 nan 0.000 0.643 516 T N -1.945 112.621 114.554 0.020 0.000 3.092 516 T HA 0.729 5.077 4.350 -0.003 0.000 0.258 516 T C 0.901 175.616 174.700 0.025 0.000 1.031 516 T CA 0.547 62.658 62.100 0.019 0.000 0.925 516 T CB 0.487 69.368 68.868 0.021 0.000 1.036 516 T HN 1.448 nan 8.240 nan 0.000 0.544 517 A N 2.795 125.631 122.820 0.025 0.000 2.262 517 A HA 0.396 4.714 4.320 -0.003 0.000 0.273 517 A C 1.759 179.346 177.584 0.006 0.000 1.202 517 A CA -0.065 51.982 52.037 0.016 0.000 0.811 517 A CB 0.044 19.050 19.000 0.009 0.000 1.159 517 A HN 0.430 nan 8.150 nan 0.000 0.505 518 N N -0.144 118.551 118.700 -0.008 0.000 2.573 518 N HA -0.160 4.579 4.740 -0.003 0.000 0.187 518 N C 0.256 175.752 175.510 -0.022 0.000 1.107 518 N CA 1.626 54.666 53.050 -0.015 0.000 0.918 518 N CB -0.205 38.267 38.487 -0.025 0.000 0.966 518 N HN 0.655 nan 8.380 nan 0.000 0.448 519 D N -0.835 119.555 120.400 -0.016 0.000 2.349 519 D HA -0.044 4.594 4.640 -0.003 0.000 0.214 519 D C -0.154 176.152 176.300 0.009 0.000 1.063 519 D CA -0.016 53.972 54.000 -0.019 0.000 0.847 519 D CB -0.355 40.437 40.800 -0.013 0.000 0.933 519 D HN -0.046 nan 8.370 nan 0.000 0.513 520 Q N 0.382 120.194 119.800 0.021 0.000 2.431 520 Q HA -0.166 4.172 4.340 -0.003 0.000 0.344 520 Q C 1.103 177.149 176.000 0.077 0.000 1.384 520 Q CA 1.045 56.875 55.803 0.044 0.000 0.984 520 Q CB -2.410 26.365 28.738 0.062 0.000 1.204 520 Q HN 0.730 nan 8.270 nan 0.000 0.392 521 G N 0.019 108.857 108.800 0.063 0.000 2.233 521 G HA2 -0.405 3.553 3.960 -0.003 0.000 0.270 521 G HA3 -0.405 3.553 3.960 -0.003 0.000 0.270 521 G C 1.003 176.000 174.900 0.162 0.000 1.011 521 G CA 1.027 46.178 45.100 0.085 0.000 0.762 521 G HN 0.514 nan 8.290 nan 0.000 0.511 522 K N -0.732 119.781 120.400 0.188 0.000 2.211 522 K HA -0.077 4.241 4.320 -0.003 0.000 0.204 522 K C 2.552 179.303 176.600 0.252 0.000 1.047 522 K CA 1.869 58.325 56.287 0.280 0.000 0.935 522 K CB -0.086 32.509 32.500 0.157 0.000 0.728 522 K HN 0.661 nan 8.250 nan 0.000 0.452 523 T N -3.660 110.999 114.554 0.176 0.000 2.975 523 T HA 0.049 4.397 4.350 -0.003 0.000 0.257 523 T C 1.635 176.439 174.700 0.173 0.000 1.003 523 T CA 0.252 62.467 62.100 0.192 0.000 0.932 523 T CB 0.417 69.402 68.868 0.195 0.000 1.087 523 T HN 0.090 nan 8.240 nan 0.000 0.512 524 S N 0.582 116.363 115.700 0.136 0.000 2.502 524 S HA 0.369 4.837 4.470 -0.003 0.000 0.215 524 S C 2.156 176.829 174.600 0.122 0.000 1.009 524 S CA 0.419 58.689 58.200 0.118 0.000 0.908 524 S CB -0.519 62.728 63.200 0.078 0.000 0.801 524 S HN 0.485 nan 8.310 nan 0.000 0.505 525 G N 2.547 111.424 108.800 0.129 0.000 2.552 525 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.216 525 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.216 525 G C 1.358 176.338 174.900 0.133 0.000 1.240 525 G CA 1.433 46.592 45.100 0.098 0.000 0.796 525 G HN 0.443 nan 8.290 nan 0.000 0.568 526 V N 1.687 121.738 119.914 0.227 0.000 2.427 526 V HA -0.054 4.064 4.120 -0.003 0.000 0.248 526 V C 3.317 179.549 176.094 0.231 0.000 1.051 526 V CA 1.788 64.261 62.300 0.288 0.000 1.048 526 V CB -0.920 31.164 31.823 0.434 0.000 0.666 526 V HN 0.514 nan 8.190 nan 0.000 0.456 527 A N 0.487 123.465 122.820 0.263 0.000 1.917 527 A HA -0.200 4.118 4.320 -0.003 0.000 0.219 527 A C 2.454 180.145 177.584 0.177 0.000 1.182 527 A CA 2.342 54.546 52.037 0.279 0.000 0.633 527 A CB -0.830 18.316 19.000 0.242 0.000 0.819 527 A HN 0.588 nan 8.150 nan 0.000 0.448 528 A N -0.234 122.656 122.820 0.116 0.000 1.933 528 A HA -0.077 4.241 4.320 -0.003 0.000 0.218 528 A C 2.118 179.704 177.584 0.004 0.000 1.175 528 A CA 1.511 53.584 52.037 0.060 0.000 0.628 528 A CB -0.602 18.424 19.000 0.044 0.000 0.814 528 A HN 0.518 nan 8.150 nan 0.000 0.444 529 I N -0.331 120.231 120.570 -0.014 0.000 2.226 529 I HA -0.208 3.961 4.170 -0.003 0.000 0.245 529 I C 2.680 178.644 176.117 -0.255 0.000 1.100 529 I CA 1.149 62.390 61.300 -0.098 0.000 1.374 529 I CB -0.593 37.395 38.000 -0.020 0.000 1.057 529 I HN 0.400 nan 8.210 nan 0.000 0.413 530 G N 0.331 108.932 108.800 -0.331 0.000 2.422 530 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.218 530 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.218 530 G C 1.703 176.540 174.900 -0.105 0.000 1.146 530 G CA 0.751 45.530 45.100 -0.534 0.000 0.769 530 G HN 0.245 nan 8.290 nan 0.000 0.547 531 V N 1.095 121.019 119.914 0.015 0.000 2.358 531 V HA -0.098 4.021 4.120 -0.003 0.000 0.246 531 V C 2.770 178.837 176.094 -0.045 0.000 1.047 531 V CA 1.315 63.633 62.300 0.030 0.000 1.035 531 V CB -0.316 31.535 31.823 0.047 0.000 0.658 531 V HN 0.391 nan 8.190 nan 0.000 0.452 532 I N 0.548 121.073 120.570 -0.074 0.000 2.226 532 I HA -0.242 3.927 4.170 -0.003 0.000 0.245 532 I C 2.679 178.729 176.117 -0.111 0.000 1.100 532 I CA 1.484 62.730 61.300 -0.090 0.000 1.374 532 I CB -0.619 37.328 38.000 -0.089 0.000 1.057 532 I HN 0.290 nan 8.210 nan 0.000 0.413 533 A N 0.868 123.594 122.820 -0.157 0.000 1.877 533 A HA -0.180 4.138 4.320 -0.003 0.000 0.216 533 A C 2.567 180.091 177.584 -0.100 0.000 1.186 533 A CA 1.989 53.924 52.037 -0.170 0.000 0.620 533 A CB -0.898 17.925 19.000 -0.296 0.000 0.822 533 A HN 0.429 nan 8.150 nan 0.000 0.443 534 A N -0.645 122.139 122.820 -0.059 0.000 1.877 534 A HA -0.024 4.294 4.320 -0.003 0.000 0.216 534 A C 2.227 179.779 177.584 -0.054 0.000 1.186 534 A CA 1.860 53.888 52.037 -0.014 0.000 0.620 534 A CB -1.048 17.975 19.000 0.039 0.000 0.822 534 A HN 0.433 nan 8.150 nan 0.000 0.443 535 V N -0.064 119.803 119.914 -0.080 0.000 2.407 535 V HA -0.188 3.930 4.120 -0.003 0.000 0.248 535 V C 2.159 178.202 176.094 -0.085 0.000 1.055 535 V CA 1.762 64.001 62.300 -0.102 0.000 1.049 535 V CB -0.565 31.188 31.823 -0.117 0.000 0.662 535 V HN 0.546 nan 8.190 nan 0.000 0.455 536 L N 0.052 121.227 121.223 -0.079 0.000 2.607 536 L HA 0.336 4.674 4.340 -0.003 0.000 0.228 536 L C 1.617 178.451 176.870 -0.061 0.000 1.123 536 L CA 0.661 55.459 54.840 -0.071 0.000 0.890 536 L CB -0.401 41.613 42.059 -0.074 0.000 1.103 536 L HN 0.520 nan 8.230 nan 0.000 0.468 537 G N 1.532 110.298 108.800 -0.056 0.000 2.249 537 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.273 537 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.273 537 G C 0.154 175.026 174.900 -0.047 0.000 1.036 537 G CA 0.050 45.125 45.100 -0.042 0.000 0.824 537 G HN 0.339 nan 8.290 nan 0.000 0.504 538 I N -0.075 120.455 120.570 -0.068 0.000 2.396 538 I HA 0.236 4.404 4.170 -0.003 0.000 0.292 538 I C 1.443 177.505 176.117 -0.091 0.000 0.999 538 I CA -0.579 60.671 61.300 -0.083 0.000 1.310 538 I CB 1.120 39.054 38.000 -0.111 0.000 1.404 538 I HN 0.220 nan 8.210 nan 0.000 0.496 539 E N 3.308 123.461 120.200 -0.078 0.000 2.060 539 E HA -0.039 4.309 4.350 -0.003 0.000 0.189 539 E C 0.553 177.076 176.600 -0.128 0.000 0.974 539 E CA 0.585 56.947 56.400 -0.063 0.000 0.808 539 E CB 0.149 29.833 29.700 -0.026 0.000 0.768 539 E HN 0.459 nan 8.360 nan 0.000 0.453 540 N N 1.037 119.631 118.700 -0.177 0.000 2.457 540 N HA 0.083 4.821 4.740 -0.003 0.000 0.250 540 N C -2.199 173.025 175.510 -0.476 0.000 0.982 540 N CA -1.851 51.010 53.050 -0.316 0.000 0.941 540 N CB 1.481 39.852 38.487 -0.195 0.000 1.120 540 N HN -0.219 nan 8.380 nan 0.000 0.505 541 P HA -0.140 nan 4.420 nan 0.000 0.217 541 P C 0.871 177.894 177.300 -0.462 0.000 1.148 541 P CA 1.176 63.756 63.100 -0.867 0.000 0.834 541 P CB 0.295 30.971 31.700 -1.706 0.000 0.783 542 A N -0.539 122.006 122.820 -0.460 0.000 2.024 542 A HA -0.278 4.040 4.320 -0.003 0.000 0.220 542 A C 2.196 179.789 177.584 0.015 0.000 1.164 542 A CA 1.521 53.572 52.037 0.023 0.000 0.643 542 A CB -1.126 17.922 19.000 0.080 0.000 0.806 542 A HN 0.244 nan 8.150 nan 0.000 0.451 543 Q N -0.648 119.099 119.800 -0.089 0.000 2.124 543 Q HA -0.117 4.221 4.340 -0.003 0.000 0.202 543 Q C 1.953 177.920 176.000 -0.055 0.000 0.977 543 Q CA 1.580 57.344 55.803 -0.064 0.000 0.850 543 Q CB -0.282 28.402 28.738 -0.090 0.000 0.901 543 Q HN 0.780 nan 8.270 nan 0.000 0.429 544 I N -0.282 120.242 120.570 -0.076 0.000 2.286 544 I HA -0.059 4.109 4.170 -0.003 0.000 0.245 544 I C 1.254 177.348 176.117 -0.039 0.000 1.104 544 I CA 0.712 61.970 61.300 -0.068 0.000 1.397 544 I CB -0.548 37.391 38.000 -0.100 0.000 1.072 544 I HN 0.298 nan 8.210 nan 0.000 0.417 545 G N 1.045 109.859 108.800 0.024 0.000 2.828 545 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.463 545 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.463 545 G C -0.011 174.786 174.900 -0.172 0.000 1.394 545 G CA -0.253 44.827 45.100 -0.034 0.000 0.862 545 G HN 0.464 nan 8.290 nan 0.000 0.540 546 T N -2.562 111.799 114.554 -0.321 0.000 2.948 546 T HA 0.840 5.188 4.350 -0.003 0.000 0.285 546 T C 0.896 175.441 174.700 -0.258 0.000 1.019 546 T CA 0.585 62.481 62.100 -0.340 0.000 1.013 546 T CB 1.536 70.134 68.868 -0.449 0.000 1.117 546 T HN 2.008 nan 8.240 nan 0.000 0.533 547 T N -0.544 113.823 114.554 -0.311 0.000 2.816 547 T HA 0.421 4.769 4.350 -0.003 0.000 0.282 547 T C 0.299 174.780 174.700 -0.365 0.000 0.993 547 T CA -0.770 61.164 62.100 -0.277 0.000 0.994 547 T CB 0.027 68.748 68.868 -0.245 0.000 1.025 547 T HN 0.720 nan 8.240 nan 0.000 0.529 548 T N 1.955 116.371 114.554 -0.229 0.000 2.928 548 T HA 0.225 4.573 4.350 -0.003 0.000 0.305 548 T C -0.378 174.180 174.700 -0.238 0.000 1.035 548 T CA 0.143 62.151 62.100 -0.153 0.000 1.145 548 T CB -0.452 68.379 68.868 -0.061 0.000 0.963 548 T HN 0.413 nan 8.240 nan 0.000 0.545 549 F N 3.343 123.259 119.950 -0.056 0.000 2.411 549 F HA 0.447 4.972 4.527 -0.003 0.000 0.350 549 F C 1.160 176.968 175.800 0.012 0.000 1.114 549 F CA -0.615 57.362 58.000 -0.039 0.000 1.135 549 F CB 0.830 39.787 39.000 -0.072 0.000 1.120 549 F HN 0.162 nan 8.300 nan 0.000 0.495 550 R N 1.946 122.566 120.500 0.199 0.000 2.750 550 R HA 0.715 5.053 4.340 -0.003 0.000 0.281 550 R C -0.598 175.826 176.300 0.206 0.000 0.972 550 R CA -1.185 55.013 56.100 0.163 0.000 0.912 550 R CB 1.896 32.261 30.300 0.109 0.000 1.187 550 R HN 0.682 nan 8.270 nan 0.000 0.464 551 A N 3.645 126.580 122.820 0.192 0.000 2.351 551 A HA 0.501 4.819 4.320 -0.003 0.000 0.257 551 A C -1.815 175.918 177.584 0.248 0.000 1.087 551 A CA -0.917 51.274 52.037 0.257 0.000 0.798 551 A CB -0.272 18.889 19.000 0.269 0.000 1.033 551 A HN 0.455 nan 8.150 nan 0.000 0.488 552 P HA 0.162 nan 4.420 nan 0.000 0.284 552 P C 0.089 177.567 177.300 0.296 0.000 1.258 552 P CA -0.342 62.968 63.100 0.349 0.000 0.824 552 P CB 0.707 32.465 31.700 0.096 0.000 1.038 553 Y N 2.308 122.760 120.300 0.254 0.000 2.081 553 Y HA -0.149 4.399 4.550 -0.003 0.000 0.280 553 Y C 0.943 176.925 175.900 0.137 0.000 1.163 553 Y CA 2.241 60.451 58.100 0.185 0.000 1.135 553 Y CB -0.580 37.954 38.460 0.124 0.000 0.970 553 Y HN 0.470 nan 8.280 nan 0.000 0.498 554 T N -1.902 112.633 114.554 -0.033 0.000 2.906 554 T HA 0.528 4.876 4.350 -0.003 0.000 0.295 554 T C -2.850 171.814 174.700 -0.060 0.000 1.061 554 T CA -2.363 59.661 62.100 -0.127 0.000 1.000 554 T CB 2.024 70.822 68.868 -0.116 0.000 1.103 554 T HN -0.183 nan 8.240 nan 0.000 0.486 555 P HA 0.289 nan 4.420 nan 0.000 0.264 555 P C -1.055 176.173 177.300 -0.120 0.000 1.179 555 P CA -0.327 62.729 63.100 -0.073 0.000 0.763 555 P CB 0.355 32.030 31.700 -0.042 0.000 0.806 556 V N 2.035 121.852 119.914 -0.161 0.000 2.577 556 V HA 0.270 4.388 4.120 -0.003 0.000 0.303 556 V C 0.230 176.284 176.094 -0.067 0.000 1.042 556 V CA -0.791 61.386 62.300 -0.205 0.000 0.872 556 V CB 1.705 33.224 31.823 -0.507 0.000 0.998 556 V HN 0.670 nan 8.190 nan 0.000 0.423 557 S N 3.849 119.520 115.700 -0.048 0.000 2.563 557 S HA 0.202 4.670 4.470 -0.003 0.000 0.284 557 S C 0.900 175.555 174.600 0.092 0.000 1.331 557 S CA -0.054 58.143 58.200 -0.005 0.000 1.047 557 S CB 0.241 63.382 63.200 -0.097 0.000 0.859 557 S HN 0.419 nan 8.310 nan 0.000 0.514 558 F N 1.955 121.813 119.950 -0.153 0.000 2.095 558 F HA -0.022 4.503 4.527 -0.003 0.000 0.298 558 F C 2.796 178.487 175.800 -0.181 0.000 1.104 558 F CA 0.850 58.774 58.000 -0.127 0.000 1.232 558 F CB -1.665 37.284 39.000 -0.085 0.000 0.987 558 F HN 0.806 nan 8.300 nan 0.000 0.475 559 A N -0.013 122.757 122.820 -0.082 0.000 1.908 559 A HA -0.098 4.220 4.320 -0.003 0.000 0.218 559 A C 2.484 179.718 177.584 -0.583 0.000 1.181 559 A CA 2.084 53.918 52.037 -0.338 0.000 0.627 559 A CB -1.300 17.406 19.000 -0.489 0.000 0.818 559 A HN 0.310 nan 8.150 nan 0.000 0.445 560 A N -0.273 122.115 122.820 -0.720 0.000 1.902 560 A HA -0.043 4.276 4.320 -0.003 0.000 0.217 560 A C 2.137 179.748 177.584 0.045 0.000 1.181 560 A CA 1.506 53.325 52.037 -0.365 0.000 0.623 560 A CB -0.610 18.283 19.000 -0.180 0.000 0.818 560 A HN 0.486 nan 8.150 nan 0.000 0.443 561 L N -0.926 120.306 121.223 0.015 0.000 2.201 561 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 561 L C 2.949 179.958 176.870 0.232 0.000 1.105 561 L CA 0.860 55.784 54.840 0.140 0.000 0.775 561 L CB -0.471 41.599 42.059 0.020 0.000 0.913 561 L HN 0.443 nan 8.230 nan 0.000 0.440 562 A N -0.218 122.648 122.820 0.077 0.000 2.014 562 A HA 0.209 4.527 4.320 -0.003 0.000 0.218 562 A C 1.763 179.303 177.584 -0.074 0.000 1.163 562 A CA 1.044 53.086 52.037 0.008 0.000 0.652 562 A CB -0.631 18.363 19.000 -0.011 0.000 0.808 562 A HN 0.478 nan 8.150 nan 0.000 0.449 563 G N -0.449 108.362 108.800 0.019 0.000 2.583 563 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.292 563 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.292 563 G C 0.589 175.401 174.900 -0.146 0.000 1.203 563 G CA 0.392 45.424 45.100 -0.113 0.000 0.987 563 G HN 0.414 nan 8.290 nan 0.000 0.554 564 R N 0.946 121.309 120.500 -0.229 0.000 2.388 564 R HA 0.230 4.568 4.340 -0.003 0.000 0.247 564 R C 0.954 177.175 176.300 -0.131 0.000 0.931 564 R CA 0.661 56.647 56.100 -0.191 0.000 1.082 564 R CB -0.453 29.736 30.300 -0.184 0.000 1.135 564 R HN 0.400 nan 8.270 nan 0.000 0.525 565 T N 2.645 117.118 114.554 -0.134 0.000 4.098 565 T HA 0.262 4.610 4.350 -0.003 0.000 0.291 565 T C 0.324 174.986 174.700 -0.062 0.000 1.440 565 T CA -0.099 61.944 62.100 -0.096 0.000 1.164 565 T CB 0.151 68.959 68.868 -0.101 0.000 1.313 565 T HN -0.133 nan 8.240 nan 0.000 0.951 566 R N 0.241 120.711 120.500 -0.050 0.000 2.888 566 R HA 0.759 5.097 4.340 -0.003 0.000 0.264 566 R C 1.048 177.338 176.300 -0.017 0.000 1.045 566 R CA -0.352 55.734 56.100 -0.024 0.000 0.962 566 R CB 0.676 30.968 30.300 -0.012 0.000 1.210 566 R HN 0.500 nan 8.270 nan 0.000 0.479 567 G N 1.240 110.038 108.800 -0.004 0.000 2.634 567 G HA2 -0.362 3.596 3.960 -0.003 0.000 0.309 567 G HA3 -0.362 3.596 3.960 -0.003 0.000 0.309 567 G C 0.619 175.511 174.900 -0.014 0.000 1.265 567 G CA 0.613 45.712 45.100 -0.002 0.000 0.998 567 G HN 0.573 nan 8.290 nan 0.000 0.551 568 E N 0.216 120.406 120.200 -0.016 0.000 2.274 568 E HA 0.035 4.383 4.350 -0.003 0.000 0.194 568 E C 2.604 179.179 176.600 -0.042 0.000 0.996 568 E CA 0.431 56.813 56.400 -0.029 0.000 0.840 568 E CB -0.127 29.556 29.700 -0.029 0.000 0.772 568 E HN 0.363 nan 8.360 nan 0.000 0.491 569 L N 0.760 121.960 121.223 -0.038 0.000 2.610 569 L HA -0.024 4.314 4.340 -0.003 0.000 0.232 569 L C 2.125 178.962 176.870 -0.055 0.000 1.149 569 L CA 0.383 55.194 54.840 -0.049 0.000 0.872 569 L CB -1.105 40.927 42.059 -0.045 0.000 0.992 569 L HN 0.152 nan 8.230 nan 0.000 0.447 570 L N -0.126 121.069 121.223 -0.046 0.000 2.042 570 L HA -0.094 4.244 4.340 -0.003 0.000 0.210 570 L C 0.382 177.220 176.870 -0.053 0.000 1.076 570 L CA 1.795 56.608 54.840 -0.046 0.000 0.749 570 L CB 0.017 42.056 42.059 -0.033 0.000 0.893 570 L HN 0.190 nan 8.230 nan 0.000 0.432 571 D N -2.232 118.133 120.400 -0.059 0.000 2.859 571 D HA 0.369 5.007 4.640 -0.003 0.000 0.223 571 D C -2.721 173.527 176.300 -0.088 0.000 1.218 571 D CA -1.623 52.335 54.000 -0.070 0.000 0.850 571 D CB 1.657 42.420 40.800 -0.062 0.000 1.656 571 D HN -0.183 nan 8.370 nan 0.000 0.484 572 P HA 0.314 nan 4.420 nan 0.000 0.264 572 P C -1.312 175.891 177.300 -0.161 0.000 1.183 572 P CA -0.169 62.847 63.100 -0.140 0.000 0.763 572 P CB 0.638 32.239 31.700 -0.164 0.000 0.807 573 A N 4.144 126.861 122.820 -0.171 0.000 2.394 573 A HA 0.333 4.652 4.320 -0.003 0.000 0.333 573 A C 0.115 177.549 177.584 -0.250 0.000 1.397 573 A CA -0.706 51.220 52.037 -0.186 0.000 0.884 573 A CB 0.163 19.067 19.000 -0.160 0.000 1.147 573 A HN 0.438 nan 8.150 nan 0.000 0.505 574 R N 1.575 121.876 120.500 -0.333 0.000 2.442 574 R HA 0.486 4.824 4.340 -0.003 0.000 0.291 574 R C -0.910 175.273 176.300 -0.194 0.000 1.069 574 R CA 0.209 56.024 56.100 -0.475 0.000 1.022 574 R CB 0.501 30.090 30.300 -1.185 0.000 0.976 574 R HN 0.631 nan 8.270 nan 0.000 0.443 575 L N 1.935 123.081 121.223 -0.128 0.000 2.365 575 L HA 0.416 4.754 4.340 -0.003 0.000 0.273 575 L C 0.713 177.728 176.870 0.241 0.000 1.000 575 L CA -1.034 53.782 54.840 -0.040 0.000 0.819 575 L CB 2.031 43.879 42.059 -0.350 0.000 1.284 575 L HN 0.713 nan 8.230 nan 0.000 0.418 576 T N -1.192 113.564 114.554 0.335 0.000 2.788 576 T HA 0.390 4.738 4.350 -0.003 0.000 0.280 576 T C 1.174 175.970 174.700 0.159 0.000 0.984 576 T CA 0.014 62.271 62.100 0.262 0.000 0.972 576 T CB 1.489 70.445 68.868 0.147 0.000 1.039 576 T HN 0.648 nan 8.240 nan 0.000 0.530 577 A N 0.187 123.071 122.820 0.106 0.000 2.172 577 A HA 0.114 4.432 4.320 -0.003 0.000 0.216 577 A C 1.955 179.547 177.584 0.013 0.000 1.154 577 A CA 0.783 52.870 52.037 0.082 0.000 0.701 577 A CB -0.900 18.160 19.000 0.100 0.000 0.789 577 A HN 0.737 nan 8.150 nan 0.000 0.465 578 M N -2.133 117.405 119.600 -0.103 0.000 2.428 578 M HA 0.182 4.660 4.480 -0.003 0.000 0.239 578 M C 1.388 177.371 176.300 -0.528 0.000 1.121 578 M CA 0.436 55.475 55.300 -0.434 0.000 1.019 578 M CB -0.493 31.568 32.600 -0.898 0.000 1.485 578 M HN 0.540 nan 8.290 nan 0.000 0.484 579 H N 1.320 120.292 119.070 -0.162 0.000 2.319 579 H HA -0.115 4.439 4.556 -0.003 0.000 0.297 579 H C -0.908 174.464 175.328 0.073 0.000 1.097 579 H CA 2.556 58.639 56.048 0.058 0.000 1.285 579 H CB -0.972 28.829 29.762 0.064 0.000 1.368 579 H HN 0.139 nan 8.280 nan 0.000 0.495 580 P HA -0.189 nan 4.420 nan 0.000 0.216 580 P C 1.033 178.391 177.300 0.097 0.000 1.153 580 P CA 1.744 64.899 63.100 0.092 0.000 0.858 580 P CB -0.302 31.463 31.700 0.107 0.000 0.789 581 W N -0.214 121.011 121.300 -0.126 0.000 2.358 581 W HA -0.187 4.471 4.660 -0.003 0.000 0.303 581 W C 2.357 178.917 176.519 0.067 0.000 1.208 581 W CA 1.750 59.065 57.345 -0.051 0.000 1.274 581 W CB -0.942 28.364 29.460 -0.257 0.000 1.138 581 W HN 0.122 nan 8.180 nan 0.000 0.515 582 H N -0.486 118.796 119.070 0.353 0.000 2.352 582 H HA -0.230 4.324 4.556 -0.003 0.000 0.299 582 H C 2.262 177.667 175.328 0.129 0.000 1.097 582 H CA 1.863 58.088 56.048 0.296 0.000 1.311 582 H CB -0.490 29.407 29.762 0.225 0.000 1.377 582 H HN 0.170 nan 8.280 nan 0.000 0.504 583 L N 0.164 121.516 121.223 0.216 0.000 1.994 583 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 583 L C 2.794 179.686 176.870 0.038 0.000 1.071 583 L CA 0.840 55.770 54.840 0.149 0.000 0.745 583 L CB -0.455 41.650 42.059 0.078 0.000 0.892 583 L HN 0.321 nan 8.230 nan 0.000 0.431 584 A N -1.774 121.031 122.820 -0.024 0.000 2.178 584 A HA -0.169 4.150 4.320 -0.003 0.000 0.218 584 A C 1.482 178.861 177.584 -0.343 0.000 1.157 584 A CA 1.060 53.003 52.037 -0.157 0.000 0.689 584 A CB -0.654 18.239 19.000 -0.178 0.000 0.787 584 A HN 0.486 nan 8.150 nan 0.000 0.465 585 H N -1.024 117.868 119.070 -0.296 0.000 2.472 585 H HA 0.277 4.831 4.556 -0.003 0.000 0.287 585 H C 1.355 176.634 175.328 -0.081 0.000 1.112 585 H CA 0.174 56.046 56.048 -0.293 0.000 1.021 585 H CB -0.172 29.201 29.762 -0.648 0.000 1.635 585 H HN 0.556 nan 8.280 nan 0.000 0.559 586 G N 1.605 110.385 108.800 -0.032 0.000 2.341 586 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.292 586 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.292 586 G C 0.479 175.299 174.900 -0.133 0.000 1.021 586 G CA 0.400 45.471 45.100 -0.048 0.000 0.905 586 G HN 0.618 nan 8.290 nan 0.000 0.508 587 A N -0.248 122.405 122.820 -0.279 0.000 2.354 587 A HA 0.651 4.970 4.320 -0.003 0.000 0.269 587 A C 0.605 177.623 177.584 -0.944 0.000 1.109 587 A CA -0.210 51.375 52.037 -0.754 0.000 0.800 587 A CB 0.632 18.952 19.000 -1.135 0.000 1.045 587 A HN 0.224 nan 8.150 nan 0.000 0.489 588 K N 1.721 121.544 120.400 -0.963 0.000 2.201 588 K HA 0.481 4.799 4.320 -0.003 0.000 0.278 588 K C -1.133 175.063 176.600 -0.674 0.000 1.027 588 K CA 0.124 55.967 56.287 -0.740 0.000 0.909 588 K CB 0.786 32.727 32.500 -0.932 0.000 1.062 588 K HN 0.526 nan 8.250 nan 0.000 0.465 589 F N 0.864 120.778 119.950 -0.061 0.000 2.450 589 F HA 0.315 4.840 4.527 -0.003 0.000 0.328 589 F C 0.828 176.633 175.800 0.009 0.000 1.068 589 F CA -0.770 57.227 58.000 -0.005 0.000 1.007 589 F CB 1.256 40.268 39.000 0.020 0.000 1.251 589 F HN 0.477 nan 8.300 nan 0.000 0.492 590 E N -0.636 119.638 120.200 0.124 0.000 2.340 590 E HA 0.341 4.690 4.350 -0.003 0.000 0.273 590 E C -2.050 174.515 176.600 -0.059 0.000 0.891 590 E CA -1.024 55.265 56.400 -0.184 0.000 0.757 590 E CB 1.619 30.915 29.700 -0.674 0.000 1.231 590 E HN 0.341 nan 8.360 nan 0.000 0.439 591 D N 2.533 122.879 120.400 -0.090 0.000 2.352 591 D HA 0.163 4.801 4.640 -0.003 0.000 0.245 591 D C -0.565 175.731 176.300 -0.007 0.000 1.224 591 D CA -0.135 53.852 54.000 -0.021 0.000 0.879 591 D CB 1.545 42.327 40.800 -0.031 0.000 1.057 591 D HN 0.198 nan 8.370 nan 0.000 0.491 592 V N 3.010 122.967 119.914 0.071 0.000 2.257 592 V HA 0.454 4.573 4.120 -0.003 0.000 0.269 592 V C 1.162 177.352 176.094 0.161 0.000 1.040 592 V CA -0.054 62.309 62.300 0.105 0.000 0.813 592 V CB 0.443 32.344 31.823 0.130 0.000 1.065 592 V HN 0.873 nan 8.190 nan 0.000 0.457 593 G N 4.793 113.649 108.800 0.094 0.000 2.556 593 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.283 593 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.283 593 G C 0.558 175.479 174.900 0.034 0.000 1.177 593 G CA 0.735 45.881 45.100 0.076 0.000 0.978 593 G HN 0.535 nan 8.290 nan 0.000 0.554 594 Q N -0.378 119.407 119.800 -0.024 0.000 2.360 594 Q HA 0.212 4.550 4.340 -0.003 0.000 0.202 594 Q C 0.366 176.279 176.000 -0.145 0.000 0.915 594 Q CA -0.150 55.579 55.803 -0.125 0.000 0.943 594 Q CB 0.416 29.021 28.738 -0.221 0.000 1.064 594 Q HN 0.485 nan 8.270 nan 0.000 0.511 595 W N 1.554 122.832 121.300 -0.036 0.000 2.251 595 W HA 0.182 4.841 4.660 -0.003 0.000 0.329 595 W C 0.385 176.883 176.519 -0.036 0.000 1.234 595 W CA -0.533 56.791 57.345 -0.035 0.000 1.228 595 W CB 0.763 30.220 29.460 -0.005 0.000 1.135 595 W HN -0.361 nan 8.180 nan 0.000 0.576 596 K N 4.496 125.060 120.400 0.275 0.000 2.299 596 K HA 0.362 4.680 4.320 -0.003 0.000 0.268 596 K C -0.297 176.473 176.600 0.284 0.000 1.075 596 K CA -0.488 55.887 56.287 0.147 0.000 0.936 596 K CB 0.956 33.399 32.500 -0.095 0.000 1.228 596 K HN 0.470 nan 8.250 nan 0.000 0.454 597 R N 2.522 123.190 120.500 0.281 0.000 2.589 597 R HA 0.387 4.726 4.340 -0.003 0.000 0.293 597 R C -2.503 173.957 176.300 0.267 0.000 0.963 597 R CA -2.167 54.074 56.100 0.235 0.000 0.905 597 R CB 1.349 31.715 30.300 0.109 0.000 1.144 597 R HN 0.188 nan 8.270 nan 0.000 0.459 598 P HA -0.087 nan 4.420 nan 0.000 0.267 598 P C -0.366 176.901 177.300 -0.055 0.000 1.209 598 P CA 0.032 62.951 63.100 -0.302 0.000 0.763 598 P CB 0.399 31.748 31.700 -0.584 0.000 0.816 599 W N 6.383 127.492 121.300 -0.317 0.000 2.525 599 W HA 0.073 4.731 4.660 -0.003 0.000 0.288 599 W C -0.172 176.393 176.519 0.077 0.000 1.200 599 W CA 1.192 58.490 57.345 -0.078 0.000 1.349 599 W CB -0.155 29.258 29.460 -0.079 0.000 1.102 599 W HN 0.443 nan 8.180 nan 0.000 0.558 600 Y N -3.906 116.341 120.300 -0.087 0.000 2.717 600 Y HA 0.340 4.888 4.550 -0.003 0.000 0.345 600 Y C -2.227 173.543 175.900 -0.217 0.000 1.187 600 Y CA -2.370 55.686 58.100 -0.073 0.000 1.128 600 Y CB -0.405 37.965 38.460 -0.150 0.000 1.360 600 Y HN -0.138 nan 8.280 nan 0.000 0.467 601 Y N 3.277 123.678 120.300 0.167 0.000 2.721 601 Y HA 0.510 5.058 4.550 -0.003 0.000 0.328 601 Y C -2.554 173.452 175.900 0.177 0.000 1.003 601 Y CA -2.761 55.398 58.100 0.098 0.000 1.275 601 Y CB 0.930 39.489 38.460 0.164 0.000 1.097 601 Y HN 0.317 nan 8.280 nan 0.000 0.514 602 P HA 0.142 nan 4.420 nan 0.000 0.275 602 P C -0.988 176.411 177.300 0.166 0.000 1.227 602 P CA -0.263 62.981 63.100 0.240 0.000 0.781 602 P CB 1.499 33.346 31.700 0.246 0.000 0.906 603 Q N 0.437 120.321 119.800 0.139 0.000 2.394 603 Q HA 0.253 4.591 4.340 -0.003 0.000 0.273 603 Q C -0.550 175.496 176.000 0.077 0.000 1.089 603 Q CA -0.844 55.025 55.803 0.110 0.000 0.812 603 Q CB 1.508 30.319 28.738 0.121 0.000 1.353 603 Q HN 0.416 nan 8.270 nan 0.000 0.438 604 D N 1.089 121.525 120.400 0.060 0.000 2.704 604 D HA -0.212 4.426 4.640 -0.003 0.000 0.232 604 D C 0.628 176.950 176.300 0.037 0.000 1.183 604 D CA 1.497 55.523 54.000 0.043 0.000 0.647 604 D CB -1.164 39.660 40.800 0.041 0.000 1.013 604 D HN 1.124 nan 8.370 nan 0.000 0.415 605 G N 0.175 108.998 108.800 0.039 0.000 2.179 605 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.257 605 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.257 605 G C 0.222 175.140 174.900 0.031 0.000 1.010 605 G CA 0.711 45.830 45.100 0.033 0.000 0.736 605 G HN 0.578 nan 8.290 nan 0.000 0.513 606 E N 0.642 120.867 120.200 0.042 0.000 2.404 606 E HA 0.418 4.766 4.350 -0.003 0.000 0.261 606 E C 1.200 177.810 176.600 0.017 0.000 1.074 606 E CA 0.404 56.821 56.400 0.028 0.000 0.917 606 E CB 0.549 30.276 29.700 0.045 0.000 0.965 606 E HN 0.550 nan 8.360 nan 0.000 0.433 607 S N 1.947 117.631 115.700 -0.027 0.000 2.681 607 S HA 0.107 4.575 4.470 -0.003 0.000 0.270 607 S C 1.076 175.574 174.600 -0.170 0.000 1.209 607 S CA -0.709 57.452 58.200 -0.065 0.000 0.988 607 S CB 1.078 64.233 63.200 -0.076 0.000 1.006 607 S HN 0.748 nan 8.310 nan 0.000 0.558 608 M N 0.447 119.850 119.600 -0.327 0.000 2.080 608 M HA -0.171 4.307 4.480 -0.003 0.000 0.260 608 M C 0.970 176.943 176.300 -0.545 0.000 1.068 608 M CA 2.154 56.962 55.300 -0.820 0.000 1.109 608 M CB -0.674 31.336 32.600 -0.983 0.000 1.342 608 M HN 0.744 nan 8.290 nan 0.000 0.405 609 D N 0.488 120.708 120.400 -0.301 0.000 2.123 609 D HA -0.177 4.461 4.640 -0.003 0.000 0.196 609 D C 1.852 178.107 176.300 -0.075 0.000 0.992 609 D CA 1.737 55.642 54.000 -0.158 0.000 0.833 609 D CB -0.327 40.410 40.800 -0.106 0.000 0.954 609 D HN 0.588 nan 8.370 nan 0.000 0.455 610 E N 0.488 120.637 120.200 -0.084 0.000 2.072 610 E HA -0.040 4.308 4.350 -0.003 0.000 0.190 610 E C 2.113 178.733 176.600 0.034 0.000 0.982 610 E CA 0.907 57.293 56.400 -0.023 0.000 0.803 610 E CB -0.035 29.641 29.700 -0.039 0.000 0.755 610 E HN 0.189 nan 8.360 nan 0.000 0.453 611 A N 1.042 123.849 122.820 -0.021 0.000 1.873 611 A HA -0.125 4.193 4.320 -0.003 0.000 0.215 611 A C 2.501 180.114 177.584 0.048 0.000 1.186 611 A CA 1.085 53.148 52.037 0.043 0.000 0.616 611 A CB -0.645 18.403 19.000 0.079 0.000 0.823 611 A HN 0.117 nan 8.150 nan 0.000 0.442 612 V N -1.524 118.355 119.914 -0.057 0.000 2.427 612 V HA -0.250 3.868 4.120 -0.003 0.000 0.248 612 V C 2.297 178.410 176.094 0.033 0.000 1.051 612 V CA 1.971 64.260 62.300 -0.020 0.000 1.048 612 V CB -0.955 30.803 31.823 -0.107 0.000 0.666 612 V HN 0.694 nan 8.190 nan 0.000 0.456 613 Y N 1.278 121.546 120.300 -0.054 0.000 2.114 613 Y HA -0.280 4.268 4.550 -0.003 0.000 0.284 613 Y C 2.835 178.716 175.900 -0.033 0.000 1.143 613 Y CA 2.418 60.495 58.100 -0.039 0.000 1.135 613 Y CB -0.205 38.233 38.460 -0.037 0.000 0.980 613 Y HN 0.093 nan 8.280 nan 0.000 0.499 614 R N 0.418 121.018 120.500 0.166 0.000 2.081 614 R HA -0.188 4.151 4.340 -0.003 0.000 0.235 614 R C 2.006 178.312 176.300 0.009 0.000 1.131 614 R CA 2.046 58.201 56.100 0.092 0.000 0.960 614 R CB -0.296 30.078 30.300 0.122 0.000 0.856 614 R HN 0.484 nan 8.270 nan 0.000 0.436 615 E N 0.155 120.372 120.200 0.027 0.000 2.031 615 E HA -0.229 4.120 4.350 -0.003 0.000 0.193 615 E C 2.327 178.847 176.600 -0.133 0.000 0.994 615 E CA 1.694 58.102 56.400 0.013 0.000 0.800 615 E CB -0.270 29.505 29.700 0.125 0.000 0.752 615 E HN 0.654 nan 8.360 nan 0.000 0.447 616 C N 0.914 120.104 119.300 -0.183 0.000 2.419 616 C HA 0.012 4.470 4.460 -0.003 0.000 0.281 616 C C 2.482 177.294 174.990 -0.296 0.000 1.336 616 C CA 0.382 59.230 59.018 -0.282 0.000 1.770 616 C CB -0.745 26.835 27.740 -0.266 0.000 1.929 616 C HN 0.264 nan 8.230 nan 0.000 0.509 617 K N 1.777 122.007 120.400 -0.284 0.000 2.062 617 K HA 0.039 4.357 4.320 -0.003 0.000 0.205 617 K C 2.360 178.862 176.600 -0.163 0.000 1.051 617 K CA 1.396 57.526 56.287 -0.263 0.000 0.941 617 K CB -0.412 31.925 32.500 -0.272 0.000 0.719 617 K HN 0.489 nan 8.250 nan 0.000 0.440 618 A N 0.713 123.464 122.820 -0.116 0.000 1.933 618 A HA -0.091 4.227 4.320 -0.003 0.000 0.218 618 A C 2.202 179.735 177.584 -0.085 0.000 1.175 618 A CA 1.533 53.531 52.037 -0.065 0.000 0.628 618 A CB -0.613 18.377 19.000 -0.016 0.000 0.814 618 A HN 0.171 nan 8.150 nan 0.000 0.444 619 V N 0.068 119.891 119.914 -0.152 0.000 2.287 619 V HA -0.277 3.841 4.120 -0.003 0.000 0.248 619 V C 2.606 178.624 176.094 -0.126 0.000 1.053 619 V CA 2.328 64.526 62.300 -0.171 0.000 1.027 619 V CB -0.790 30.823 31.823 -0.351 0.000 0.646 619 V HN 0.534 nan 8.190 nan 0.000 0.447 620 R N -0.435 119.977 120.500 -0.148 0.000 2.153 620 R HA -0.066 4.273 4.340 -0.003 0.000 0.218 620 R C 1.932 178.191 176.300 -0.067 0.000 1.072 620 R CA 1.072 57.110 56.100 -0.103 0.000 0.990 620 R CB -0.261 29.953 30.300 -0.145 0.000 0.889 620 R HN 0.516 nan 8.270 nan 0.000 0.452 621 D N -0.372 119.985 120.400 -0.072 0.000 2.123 621 D HA -0.063 4.575 4.640 -0.003 0.000 0.200 621 D C 1.542 177.826 176.300 -0.028 0.000 0.976 621 D CA 1.309 55.284 54.000 -0.043 0.000 0.831 621 D CB 0.249 41.026 40.800 -0.038 0.000 0.974 621 D HN 0.041 nan 8.370 nan 0.000 0.469 622 S N -1.723 113.960 115.700 -0.028 0.000 4.163 622 S HA 0.353 4.821 4.470 -0.003 0.000 0.164 622 S C -0.559 174.016 174.600 -0.043 0.000 0.896 622 S CA -0.059 58.129 58.200 -0.021 0.000 1.125 622 S CB 0.423 63.645 63.200 0.037 0.000 1.698 622 S HN -0.033 nan 8.310 nan 0.000 0.817 623 V N 0.520 120.427 119.914 -0.012 0.000 3.167 623 V HA 0.753 4.872 4.120 -0.003 0.000 0.293 623 V C -0.772 175.342 176.094 0.033 0.000 1.379 623 V CA 0.389 62.686 62.300 -0.005 0.000 1.019 623 V CB 1.374 33.181 31.823 -0.028 0.000 1.115 623 V HN 0.893 nan 8.190 nan 0.000 0.442 624 G N 4.701 113.546 108.800 0.075 0.000 2.694 624 G HA2 0.791 4.749 3.960 -0.003 0.000 0.290 624 G HA3 0.791 4.749 3.960 -0.003 0.000 0.290 624 G C -1.137 173.905 174.900 0.237 0.000 1.386 624 G CA -0.646 44.563 45.100 0.182 0.000 0.872 624 G HN 1.328 nan 8.290 nan 0.000 0.475 625 M N 0.089 119.801 119.600 0.188 0.000 2.393 625 M HA 0.844 5.322 4.480 -0.003 0.000 0.299 625 M C -2.000 174.226 176.300 -0.124 0.000 1.103 625 M CA -1.033 54.229 55.300 -0.064 0.000 0.910 625 M CB 2.464 34.791 32.600 -0.455 0.000 1.659 625 M HN 0.502 nan 8.290 nan 0.000 0.445 626 L N 2.062 123.220 121.223 -0.108 0.000 2.401 626 L HA 0.608 4.947 4.340 -0.003 0.000 0.266 626 L C -1.333 175.700 176.870 0.272 0.000 0.991 626 L CA 0.060 54.834 54.840 -0.110 0.000 0.818 626 L CB 2.113 43.836 42.059 -0.560 0.000 1.321 626 L HN 0.818 nan 8.230 nan 0.000 0.413 627 D N 3.753 124.310 120.400 0.261 0.000 2.422 627 D HA 0.390 5.028 4.640 -0.003 0.000 0.227 627 D C 0.161 176.481 176.300 0.032 0.000 1.190 627 D CA 0.245 54.334 54.000 0.149 0.000 0.905 627 D CB 1.368 42.151 40.800 -0.028 0.000 1.034 627 D HN 0.696 nan 8.370 nan 0.000 0.507 628 A N 2.862 125.706 122.820 0.039 0.000 2.507 628 A HA 0.127 4.445 4.320 -0.003 0.000 0.270 628 A C 1.840 179.378 177.584 -0.076 0.000 1.318 628 A CA -0.287 51.734 52.037 -0.026 0.000 0.924 628 A CB 0.034 19.037 19.000 0.006 0.000 1.061 628 A HN 0.441 nan 8.150 nan 0.000 0.516 629 S N 0.208 115.852 115.700 -0.093 0.000 2.442 629 S HA -0.140 4.328 4.470 -0.003 0.000 0.236 629 S C 2.047 176.464 174.600 -0.305 0.000 1.007 629 S CA 1.850 59.972 58.200 -0.128 0.000 0.965 629 S CB -0.415 62.733 63.200 -0.086 0.000 0.773 629 S HN 0.895 nan 8.310 nan 0.000 0.504 630 T N 0.133 114.369 114.554 -0.530 0.000 3.160 630 T HA 0.217 4.565 4.350 -0.003 0.000 0.257 630 T C 0.513 174.953 174.700 -0.433 0.000 1.147 630 T CA -0.042 61.498 62.100 -0.933 0.000 1.064 630 T CB -0.599 67.469 68.868 -1.333 0.000 0.949 630 T HN 0.186 nan 8.240 nan 0.000 0.526 631 L N 1.993 123.083 121.223 -0.222 0.000 2.485 631 L HA 0.398 4.736 4.340 -0.003 0.000 0.275 631 L C 1.276 178.121 176.870 -0.042 0.000 1.207 631 L CA -0.455 54.327 54.840 -0.096 0.000 0.855 631 L CB 0.152 42.197 42.059 -0.023 0.000 1.114 631 L HN 0.316 nan 8.230 nan 0.000 0.485 632 G N 3.027 111.817 108.800 -0.017 0.000 2.403 632 G HA2 0.368 4.326 3.960 -0.003 0.000 0.259 632 G HA3 0.368 4.326 3.960 -0.003 0.000 0.259 632 G C -0.600 174.272 174.900 -0.046 0.000 1.244 632 G CA -0.472 44.628 45.100 -0.000 0.000 0.849 632 G HN 0.629 nan 8.290 nan 0.000 0.532 633 K N 1.989 122.347 120.400 -0.069 0.000 2.507 633 K HA 0.510 4.829 4.320 -0.003 0.000 0.251 633 K C -1.107 175.430 176.600 -0.105 0.000 0.943 633 K CA -0.559 55.625 56.287 -0.171 0.000 0.794 633 K CB 2.679 35.056 32.500 -0.206 0.000 1.188 633 K HN 0.363 nan 8.250 nan 0.000 0.428 634 I N 1.775 122.281 120.570 -0.108 0.000 2.478 634 I HA 0.217 4.385 4.170 -0.003 0.000 0.287 634 I C -0.673 175.427 176.117 -0.028 0.000 1.042 634 I CA -0.713 60.565 61.300 -0.037 0.000 1.067 634 I CB 2.234 40.241 38.000 0.012 0.000 1.233 634 I HN 0.618 nan 8.210 nan 0.000 0.431 635 E N 6.784 126.978 120.200 -0.011 0.000 2.197 635 E HA 0.597 4.945 4.350 -0.003 0.000 0.281 635 E C -1.257 175.378 176.600 0.058 0.000 0.995 635 E CA -0.467 55.941 56.400 0.014 0.000 0.808 635 E CB 1.255 30.951 29.700 -0.006 0.000 1.093 635 E HN 0.451 nan 8.360 nan 0.000 0.394 636 I N 4.380 125.017 120.570 0.111 0.000 2.465 636 I HA 0.470 4.638 4.170 -0.003 0.000 0.291 636 I C -0.209 176.006 176.117 0.164 0.000 1.014 636 I CA -0.796 60.593 61.300 0.149 0.000 1.093 636 I CB 1.845 39.970 38.000 0.208 0.000 1.267 636 I HN 0.409 nan 8.210 nan 0.000 0.431 637 R N 4.146 124.715 120.500 0.115 0.000 2.628 637 R HA 0.841 5.179 4.340 -0.003 0.000 0.288 637 R C -0.962 175.387 176.300 0.082 0.000 0.980 637 R CA -0.499 55.657 56.100 0.093 0.000 0.891 637 R CB 2.309 32.638 30.300 0.049 0.000 1.188 637 R HN 0.910 nan 8.270 nan 0.000 0.450 638 G N 2.022 110.875 108.800 0.088 0.000 2.358 638 G HA2 0.024 3.982 3.960 -0.003 0.000 0.303 638 G HA3 0.024 3.982 3.960 -0.003 0.000 0.303 638 G C -0.557 174.393 174.900 0.084 0.000 1.537 638 G CA -0.803 44.337 45.100 0.068 0.000 0.928 638 G HN 0.568 nan 8.290 nan 0.000 0.656 639 K N -0.486 119.948 120.400 0.057 0.000 2.209 639 K HA -0.021 4.297 4.320 -0.003 0.000 0.204 639 K C 0.749 177.396 176.600 0.078 0.000 1.048 639 K CA 1.342 57.665 56.287 0.060 0.000 0.940 639 K CB 0.181 32.703 32.500 0.037 0.000 0.729 639 K HN 0.425 nan 8.250 nan 0.000 0.451 640 D N 0.170 120.613 120.400 0.070 0.000 2.342 640 D HA 0.107 4.746 4.640 -0.003 0.000 0.221 640 D C 1.311 177.692 176.300 0.135 0.000 1.101 640 D CA 0.108 54.152 54.000 0.074 0.000 0.837 640 D CB 0.546 41.360 40.800 0.024 0.000 0.938 640 D HN 0.109 nan 8.370 nan 0.000 0.508 641 A N 1.464 124.397 122.820 0.189 0.000 1.873 641 A HA -0.163 4.155 4.320 -0.003 0.000 0.218 641 A C 2.353 180.049 177.584 0.187 0.000 1.193 641 A CA 2.121 54.321 52.037 0.272 0.000 0.629 641 A CB -0.556 18.699 19.000 0.426 0.000 0.826 641 A HN 0.272 nan 8.150 nan 0.000 0.447 642 A N -0.509 122.472 122.820 0.267 0.000 1.877 642 A HA -0.156 4.162 4.320 -0.003 0.000 0.216 642 A C 1.994 179.597 177.584 0.033 0.000 1.186 642 A CA 2.255 54.355 52.037 0.105 0.000 0.620 642 A CB -0.548 18.642 19.000 0.315 0.000 0.822 642 A HN 0.562 nan 8.150 nan 0.000 0.443 643 E N -0.558 119.686 120.200 0.074 0.000 2.085 643 E HA -0.206 4.142 4.350 -0.003 0.000 0.194 643 E C 1.640 178.243 176.600 0.005 0.000 0.994 643 E CA 1.581 57.996 56.400 0.025 0.000 0.801 643 E CB -0.577 29.130 29.700 0.012 0.000 0.743 643 E HN 0.507 nan 8.360 nan 0.000 0.453 644 F N 0.740 120.616 119.950 -0.122 0.000 2.134 644 F HA -0.057 4.468 4.527 -0.003 0.000 0.299 644 F C 1.852 177.565 175.800 -0.145 0.000 1.097 644 F CA 1.283 59.195 58.000 -0.145 0.000 1.264 644 F CB -0.371 38.590 39.000 -0.064 0.000 1.001 644 F HN 0.068 nan 8.300 nan 0.000 0.479 645 L N -0.095 120.967 121.223 -0.269 0.000 2.191 645 L HA -0.241 4.097 4.340 -0.003 0.000 0.212 645 L C 2.018 178.768 176.870 -0.200 0.000 1.103 645 L CA 1.502 56.109 54.840 -0.389 0.000 0.769 645 L CB -0.828 40.908 42.059 -0.538 0.000 0.908 645 L HN 0.233 nan 8.230 nan 0.000 0.438 646 N N -0.356 118.283 118.700 -0.100 0.000 2.396 646 N HA -0.107 4.631 4.740 -0.003 0.000 0.180 646 N C 1.807 177.296 175.510 -0.036 0.000 1.028 646 N CA 0.465 53.515 53.050 -0.000 0.000 0.893 646 N CB 0.150 38.647 38.487 0.018 0.000 0.967 646 N HN 0.346 nan 8.380 nan 0.000 0.440 647 R N -0.228 120.167 120.500 -0.175 0.000 2.140 647 R HA 0.158 4.496 4.340 -0.003 0.000 0.213 647 R C 1.753 177.924 176.300 -0.215 0.000 1.059 647 R CA 0.645 56.633 56.100 -0.187 0.000 1.000 647 R CB 0.086 30.163 30.300 -0.372 0.000 0.910 647 R HN 0.188 nan 8.270 nan 0.000 0.455 648 M N -0.391 118.956 119.600 -0.423 0.000 2.248 648 M HA 0.055 4.534 4.480 -0.003 0.000 0.265 648 M C 0.364 176.456 176.300 -0.346 0.000 1.079 648 M CA 1.061 56.082 55.300 -0.465 0.000 1.150 648 M CB -0.331 31.810 32.600 -0.764 0.000 1.366 648 M HN -0.098 nan 8.290 nan 0.000 0.433 649 Y N 0.802 120.939 120.300 -0.273 0.000 2.354 649 Y HA 0.109 4.658 4.550 -0.003 0.000 0.322 649 Y C 2.050 177.661 175.900 -0.482 0.000 1.253 649 Y CA -0.072 57.866 58.100 -0.271 0.000 1.272 649 Y CB 0.652 39.007 38.460 -0.174 0.000 1.255 649 Y HN 0.258 nan 8.280 nan 0.000 0.500 650 T N -2.212 112.059 114.554 -0.472 0.000 2.904 650 T HA -0.047 4.301 4.350 -0.003 0.000 0.267 650 T C 0.448 174.683 174.700 -0.775 0.000 1.059 650 T CA 0.654 61.960 62.100 -1.323 0.000 1.137 650 T CB -0.373 68.037 68.868 -0.763 0.000 0.879 650 T HN 0.621 nan 8.240 nan 0.000 0.467 651 N N 1.395 119.912 118.700 -0.304 0.000 2.502 651 N HA 0.484 5.222 4.740 -0.003 0.000 0.280 651 N C 0.113 175.558 175.510 -0.108 0.000 1.223 651 N CA -0.614 52.322 53.050 -0.190 0.000 0.966 651 N CB 0.802 39.156 38.487 -0.221 0.000 1.203 651 N HN 0.271 nan 8.380 nan 0.000 0.565 652 G N -1.507 107.199 108.800 -0.156 0.000 2.476 652 G HA2 0.408 4.366 3.960 -0.003 0.000 0.269 652 G HA3 0.408 4.366 3.960 -0.003 0.000 0.269 652 G C -0.942 173.762 174.900 -0.327 0.000 1.195 652 G CA -0.344 44.696 45.100 -0.100 0.000 0.843 652 G HN 0.634 nan 8.290 nan 0.000 0.545 653 Y N -0.722 119.539 120.300 -0.065 0.000 2.590 653 Y HA 0.075 4.624 4.550 -0.003 0.000 0.263 653 Y C 2.706 178.632 175.900 0.043 0.000 1.069 653 Y CA 0.423 58.488 58.100 -0.059 0.000 1.242 653 Y CB 0.664 38.995 38.460 -0.215 0.000 1.357 653 Y HN 0.664 nan 8.280 nan 0.000 0.556 654 T N -2.210 112.434 114.554 0.150 0.000 2.915 654 T HA -0.089 4.259 4.350 -0.003 0.000 0.269 654 T C 1.597 176.374 174.700 0.129 0.000 1.071 654 T CA 1.070 63.261 62.100 0.153 0.000 1.132 654 T CB 0.045 68.971 68.868 0.097 0.000 0.878 654 T HN -0.044 nan 8.240 nan 0.000 0.479 655 K N 0.375 120.824 120.400 0.081 0.000 2.379 655 K HA 0.321 4.639 4.320 -0.003 0.000 0.194 655 K C 0.625 177.262 176.600 0.061 0.000 1.031 655 K CA -0.284 56.036 56.287 0.055 0.000 1.037 655 K CB -0.366 32.146 32.500 0.020 0.000 0.824 655 K HN 0.369 nan 8.250 nan 0.000 0.516 656 L N 2.586 123.867 121.223 0.097 0.000 2.540 656 L HA -0.051 4.287 4.340 -0.003 0.000 0.276 656 L C -0.048 176.893 176.870 0.118 0.000 1.212 656 L CA 0.700 55.610 54.840 0.117 0.000 0.893 656 L CB 0.190 42.391 42.059 0.237 0.000 1.138 656 L HN -0.077 nan 8.230 nan 0.000 0.491 657 K N 3.946 124.384 120.400 0.064 0.000 2.218 657 K HA 0.310 4.628 4.320 -0.003 0.000 0.276 657 K C -0.682 175.928 176.600 0.018 0.000 1.022 657 K CA -0.888 55.415 56.287 0.026 0.000 0.946 657 K CB 1.193 33.687 32.500 -0.010 0.000 1.000 657 K HN 0.454 nan 8.250 nan 0.000 0.468 658 V N 2.169 122.074 119.914 -0.016 0.000 2.617 658 V HA 0.040 4.158 4.120 -0.003 0.000 0.304 658 V C 1.367 177.376 176.094 -0.142 0.000 1.040 658 V CA 1.505 63.783 62.300 -0.036 0.000 1.149 658 V CB 0.307 32.097 31.823 -0.054 0.000 0.914 658 V HN 1.177 nan 8.190 nan 0.000 0.487 659 G N 4.110 112.755 108.800 -0.259 0.000 2.176 659 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.232 659 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.232 659 G C -0.158 174.329 174.900 -0.688 0.000 0.986 659 G CA -0.083 44.453 45.100 -0.941 0.000 0.643 659 G HN 0.445 nan 8.290 nan 0.000 0.522 660 M N 0.361 119.910 119.600 -0.085 0.000 2.602 660 M HA 0.681 5.159 4.480 -0.003 0.000 0.312 660 M C 0.563 177.036 176.300 0.288 0.000 1.181 660 M CA -0.364 54.980 55.300 0.073 0.000 0.910 660 M CB 1.576 34.184 32.600 0.014 0.000 1.723 660 M HN 0.381 nan 8.290 nan 0.000 0.459 661 G N 0.972 109.893 108.800 0.202 0.000 2.489 661 G HA2 0.846 4.804 3.960 -0.003 0.000 0.327 661 G HA3 0.846 4.804 3.960 -0.003 0.000 0.327 661 G C -1.345 173.597 174.900 0.070 0.000 1.189 661 G CA -0.592 44.608 45.100 0.167 0.000 0.962 661 G HN 0.681 nan 8.290 nan 0.000 0.486 662 R N -0.481 120.077 120.500 0.097 0.000 2.566 662 R HA 0.355 4.693 4.340 -0.003 0.000 0.271 662 R C -1.927 174.427 176.300 0.091 0.000 1.071 662 R CA -0.839 55.292 56.100 0.052 0.000 0.915 662 R CB 1.757 32.018 30.300 -0.065 0.000 1.228 662 R HN 0.609 nan 8.270 nan 0.000 0.449 663 Y N 2.517 122.810 120.300 -0.012 0.000 2.319 663 Y HA 0.593 5.141 4.550 -0.003 0.000 0.328 663 Y C -0.243 175.647 175.900 -0.016 0.000 1.133 663 Y CA 0.833 58.939 58.100 0.009 0.000 1.265 663 Y CB 1.412 39.925 38.460 0.089 0.000 1.218 663 Y HN 0.726 nan 8.280 nan 0.000 0.508 664 G N 3.500 111.750 108.800 -0.916 0.000 2.695 664 G HA2 0.600 4.559 3.960 -0.003 0.000 0.290 664 G HA3 0.600 4.559 3.960 -0.003 0.000 0.290 664 G C -2.274 172.223 174.900 -0.672 0.000 1.410 664 G CA -0.893 43.755 45.100 -0.754 0.000 0.844 664 G HN 0.641 nan 8.290 nan 0.000 0.478 665 V N 0.871 120.652 119.914 -0.221 0.000 2.656 665 V HA 0.565 4.683 4.120 -0.003 0.000 0.307 665 V C -0.154 175.956 176.094 0.027 0.000 1.051 665 V CA -0.512 61.724 62.300 -0.106 0.000 0.893 665 V CB 1.757 33.499 31.823 -0.135 0.000 0.999 665 V HN 0.731 nan 8.190 nan 0.000 0.426 666 M N 3.823 123.402 119.600 -0.036 0.000 2.268 666 M HA 0.540 5.018 4.480 -0.003 0.000 0.344 666 M C -0.969 175.364 176.300 0.056 0.000 1.106 666 M CA -0.110 55.150 55.300 -0.068 0.000 1.010 666 M CB 1.664 34.176 32.600 -0.146 0.000 1.649 666 M HN 0.593 nan 8.290 nan 0.000 0.443 667 C N 2.095 121.451 119.300 0.094 0.000 2.562 667 C HA 0.611 5.070 4.460 -0.003 0.000 0.332 667 C C 0.411 175.437 174.990 0.060 0.000 1.201 667 C CA -1.200 57.892 59.018 0.123 0.000 1.803 667 C CB 1.975 29.832 27.740 0.195 0.000 2.328 667 C HN 0.718 nan 8.230 nan 0.000 0.500 668 K N 0.800 121.183 120.400 -0.029 0.000 2.155 668 K HA 0.370 4.688 4.320 -0.003 0.000 0.237 668 K C 1.127 177.803 176.600 0.126 0.000 1.040 668 K CA -0.109 56.127 56.287 -0.085 0.000 0.912 668 K CB 0.253 32.630 32.500 -0.205 0.000 1.137 668 K HN 0.758 nan 8.250 nan 0.000 0.498 669 A N 1.046 124.015 122.820 0.248 0.000 2.024 669 A HA -0.184 4.134 4.320 -0.003 0.000 0.220 669 A C 1.168 178.791 177.584 0.065 0.000 1.164 669 A CA 2.162 54.314 52.037 0.191 0.000 0.643 669 A CB -0.610 18.547 19.000 0.261 0.000 0.806 669 A HN 0.752 nan 8.150 nan 0.000 0.451 670 D N -1.931 118.504 120.400 0.060 0.000 2.363 670 D HA 0.241 4.879 4.640 -0.003 0.000 0.226 670 D C 1.203 177.533 176.300 0.050 0.000 1.020 670 D CA 0.885 54.912 54.000 0.044 0.000 0.892 670 D CB -0.795 40.036 40.800 0.051 0.000 0.900 670 D HN 0.746 nan 8.370 nan 0.000 0.531 671 G N -0.332 108.478 108.800 0.018 0.000 2.184 671 G HA2 -0.287 3.672 3.960 -0.003 0.000 0.264 671 G HA3 -0.287 3.672 3.960 -0.003 0.000 0.264 671 G C 0.174 175.237 174.900 0.271 0.000 0.975 671 G CA 0.487 45.619 45.100 0.054 0.000 0.642 671 G HN 0.262 nan 8.290 nan 0.000 0.536 672 M N 0.658 120.361 119.600 0.172 0.000 2.216 672 M HA 0.433 4.911 4.480 -0.003 0.000 0.356 672 M C 1.189 177.583 176.300 0.156 0.000 1.205 672 M CA -1.224 54.178 55.300 0.170 0.000 1.122 672 M CB 0.633 33.307 32.600 0.123 0.000 1.571 672 M HN 0.110 nan 8.290 nan 0.000 0.464 673 I N 3.124 123.789 120.570 0.158 0.000 2.828 673 I HA -0.215 3.954 4.170 -0.003 0.000 0.292 673 I C 0.906 177.107 176.117 0.140 0.000 1.206 673 I CA 0.332 61.712 61.300 0.132 0.000 1.420 673 I CB 0.008 38.074 38.000 0.110 0.000 1.368 673 I HN 0.645 nan 8.210 nan 0.000 0.556 674 F N 5.877 125.778 119.950 -0.082 0.000 2.419 674 F HA 0.258 4.783 4.527 -0.003 0.000 0.283 674 F C 0.560 176.285 175.800 -0.124 0.000 1.044 674 F CA 0.504 58.406 58.000 -0.164 0.000 1.376 674 F CB 0.331 39.115 39.000 -0.359 0.000 1.131 674 F HN 0.513 nan 8.300 nan 0.000 0.585 675 D N -1.029 119.140 120.400 -0.385 0.000 2.692 675 D HA 0.307 4.945 4.640 -0.003 0.000 0.290 675 D C -2.114 174.070 176.300 -0.194 0.000 1.281 675 D CA -0.359 53.380 54.000 -0.436 0.000 0.804 675 D CB 1.667 41.992 40.800 -0.791 0.000 1.331 675 D HN 0.172 nan 8.370 nan 0.000 0.432 676 D N -0.207 120.115 120.400 -0.129 0.000 2.639 676 D HA 0.680 5.319 4.640 -0.003 0.000 0.271 676 D C -0.179 176.102 176.300 -0.031 0.000 1.254 676 D CA -0.453 53.509 54.000 -0.063 0.000 0.810 676 D CB 1.158 41.965 40.800 0.012 0.000 1.351 676 D HN 0.709 nan 8.370 nan 0.000 0.427 677 G N -1.399 107.373 108.800 -0.046 0.000 2.323 677 G HA2 0.460 4.418 3.960 -0.003 0.000 0.291 677 G HA3 0.460 4.418 3.960 -0.003 0.000 0.291 677 G C -1.954 172.956 174.900 0.016 0.000 1.278 677 G CA -0.235 44.876 45.100 0.019 0.000 0.860 677 G HN 0.715 nan 8.290 nan 0.000 0.504 678 V N 0.482 120.423 119.914 0.046 0.000 2.495 678 V HA 0.709 4.827 4.120 -0.003 0.000 0.298 678 V C -0.181 175.980 176.094 0.112 0.000 1.031 678 V CA -0.504 61.816 62.300 0.033 0.000 0.871 678 V CB 1.662 33.453 31.823 -0.052 0.000 0.988 678 V HN 0.816 nan 8.190 nan 0.000 0.432 679 T N 6.338 120.945 114.554 0.088 0.000 2.770 679 T HA 0.609 4.957 4.350 -0.003 0.000 0.283 679 T C -0.313 174.520 174.700 0.222 0.000 0.988 679 T CA -0.305 61.879 62.100 0.141 0.000 0.957 679 T CB 0.746 69.572 68.868 -0.070 0.000 0.930 679 T HN 0.358 nan 8.240 nan 0.000 0.443 680 L N 3.004 124.351 121.223 0.205 0.000 2.334 680 L HA 0.561 4.899 4.340 -0.003 0.000 0.277 680 L C 0.752 177.764 176.870 0.237 0.000 1.075 680 L CA -0.907 54.019 54.840 0.143 0.000 0.804 680 L CB 0.985 42.871 42.059 -0.287 0.000 1.174 680 L HN 0.417 nan 8.230 nan 0.000 0.438 681 R N 2.839 123.545 120.500 0.343 0.000 2.230 681 R HA 0.303 4.641 4.340 -0.003 0.000 0.337 681 R C 0.566 176.959 176.300 0.155 0.000 1.063 681 R CA -0.324 55.822 56.100 0.076 0.000 0.935 681 R CB 0.482 30.823 30.300 0.069 0.000 1.121 681 R HN 0.747 nan 8.270 nan 0.000 0.486 682 L N 2.739 123.958 121.223 -0.006 0.000 2.313 682 L HA 0.214 4.552 4.340 -0.003 0.000 0.214 682 L C 0.815 177.698 176.870 0.022 0.000 1.119 682 L CA 0.686 55.594 54.840 0.112 0.000 0.809 682 L CB -0.199 41.855 42.059 -0.009 0.000 0.933 682 L HN 0.717 nan 8.230 nan 0.000 0.449 683 A N -1.020 121.713 122.820 -0.145 0.000 2.438 683 A HA 0.274 4.593 4.320 -0.003 0.000 0.301 683 A C 0.397 177.842 177.584 -0.232 0.000 1.101 683 A CA -0.259 51.698 52.037 -0.134 0.000 0.621 683 A CB 0.521 19.473 19.000 -0.080 0.000 1.350 683 A HN -0.089 nan 8.150 nan 0.000 0.496 684 E N 0.106 120.229 120.200 -0.127 0.000 2.097 684 E HA -0.170 4.178 4.350 -0.003 0.000 0.196 684 E C 0.186 176.729 176.600 -0.096 0.000 1.000 684 E CA 2.547 58.894 56.400 -0.088 0.000 0.804 684 E CB 0.036 29.719 29.700 -0.029 0.000 0.740 684 E HN 0.499 nan 8.360 nan 0.000 0.454 685 D N -0.483 119.862 120.400 -0.091 0.000 2.623 685 D HA 0.218 4.856 4.640 -0.003 0.000 0.252 685 D C -0.478 175.799 176.300 -0.038 0.000 1.294 685 D CA -0.071 53.920 54.000 -0.014 0.000 0.824 685 D CB 0.394 41.212 40.800 0.030 0.000 1.070 685 D HN -0.005 nan 8.370 nan 0.000 0.487 686 R N 0.349 120.710 120.500 -0.231 0.000 2.538 686 R HA 0.491 4.830 4.340 -0.003 0.000 0.292 686 R C -1.228 174.859 176.300 -0.354 0.000 1.008 686 R CA -0.560 55.449 56.100 -0.151 0.000 0.896 686 R CB 1.640 31.888 30.300 -0.087 0.000 1.187 686 R HN -0.159 nan 8.270 nan 0.000 0.440 687 F N 2.126 122.098 119.950 0.037 0.000 2.576 687 F HA 0.453 4.978 4.527 -0.003 0.000 0.313 687 F C -0.515 175.277 175.800 -0.014 0.000 1.078 687 F CA -1.029 56.986 58.000 0.026 0.000 0.921 687 F CB 1.769 40.789 39.000 0.033 0.000 1.232 687 F HN 0.201 nan 8.300 nan 0.000 0.459 688 L N 4.369 125.681 121.223 0.148 0.000 2.318 688 L HA 0.539 4.877 4.340 -0.003 0.000 0.277 688 L C -0.817 176.055 176.870 0.002 0.000 1.008 688 L CA -0.420 54.419 54.840 -0.002 0.000 0.846 688 L CB 1.039 43.040 42.059 -0.097 0.000 1.220 688 L HN 0.704 nan 8.230 nan 0.000 0.423 689 M N 4.031 123.609 119.600 -0.038 0.000 2.188 689 M HA 0.366 4.844 4.480 -0.003 0.000 0.357 689 M C -1.250 174.962 176.300 -0.146 0.000 1.204 689 M CA -0.170 55.128 55.300 -0.003 0.000 1.095 689 M CB 0.477 33.097 32.600 0.033 0.000 1.604 689 M HN 0.660 nan 8.290 nan 0.000 0.464 690 H N 2.343 121.411 119.070 -0.002 0.000 2.551 690 H HA 0.395 4.949 4.556 -0.003 0.000 0.321 690 H C 0.045 175.353 175.328 -0.033 0.000 1.028 690 H CA -0.399 55.634 56.048 -0.026 0.000 1.215 690 H CB 1.198 30.932 29.762 -0.045 0.000 1.414 690 H HN 0.683 nan 8.280 nan 0.000 0.480 691 T N -0.382 114.192 114.554 0.033 0.000 2.893 691 T HA 0.413 4.761 4.350 -0.003 0.000 0.279 691 T C 0.663 175.335 174.700 -0.047 0.000 0.991 691 T CA -0.781 61.306 62.100 -0.022 0.000 0.950 691 T CB 0.992 69.829 68.868 -0.050 0.000 1.223 691 T HN 0.572 nan 8.240 nan 0.000 0.585 692 T N -1.254 113.250 114.554 -0.084 0.000 2.802 692 T HA 0.201 4.549 4.350 -0.003 0.000 0.305 692 T C 1.397 176.066 174.700 -0.050 0.000 1.053 692 T CA -0.075 61.975 62.100 -0.084 0.000 1.058 692 T CB -0.181 68.635 68.868 -0.087 0.000 0.988 692 T HN 0.633 nan 8.240 nan 0.000 0.539 693 T N 1.047 115.574 114.554 -0.045 0.000 2.833 693 T HA 0.090 4.438 4.350 -0.003 0.000 0.269 693 T C 1.789 176.531 174.700 0.071 0.000 1.054 693 T CA 1.355 63.439 62.100 -0.027 0.000 1.135 693 T CB -0.631 68.189 68.868 -0.080 0.000 0.869 693 T HN 0.888 nan 8.240 nan 0.000 0.466 694 G N -0.202 108.630 108.800 0.053 0.000 3.523 694 G HA2 0.453 4.411 3.960 -0.003 0.000 0.270 694 G HA3 0.453 4.411 3.960 -0.003 0.000 0.270 694 G C 0.798 175.712 174.900 0.023 0.000 1.134 694 G CA 0.160 45.304 45.100 0.074 0.000 0.825 694 G HN 0.529 nan 8.290 nan 0.000 0.534 695 G N -0.944 107.846 108.800 -0.015 0.000 3.815 695 G HA2 0.385 4.343 3.960 -0.003 0.000 0.265 695 G HA3 0.385 4.343 3.960 -0.003 0.000 0.265 695 G C 1.259 176.138 174.900 -0.036 0.000 1.026 695 G CA 1.023 46.077 45.100 -0.076 0.000 0.868 695 G HN 0.357 nan 8.290 nan 0.000 0.476 696 A N 1.312 124.142 122.820 0.016 0.000 1.877 696 A HA 0.279 4.597 4.320 -0.003 0.000 0.216 696 A C 2.719 180.343 177.584 0.068 0.000 1.186 696 A CA 2.415 54.474 52.037 0.037 0.000 0.620 696 A CB -0.662 18.372 19.000 0.057 0.000 0.822 696 A HN 0.898 nan 8.150 nan 0.000 0.443 697 A N -0.098 122.768 122.820 0.077 0.000 1.902 697 A HA -0.164 4.155 4.320 -0.003 0.000 0.217 697 A C 1.761 179.419 177.584 0.123 0.000 1.181 697 A CA 1.876 53.963 52.037 0.084 0.000 0.623 697 A CB -0.549 18.490 19.000 0.064 0.000 0.818 697 A HN 0.473 nan 8.150 nan 0.000 0.443 698 D N -0.280 120.206 120.400 0.144 0.000 2.117 698 D HA -0.082 4.557 4.640 -0.003 0.000 0.198 698 D C 2.082 178.611 176.300 0.381 0.000 0.982 698 D CA 1.330 55.480 54.000 0.250 0.000 0.828 698 D CB -0.482 40.490 40.800 0.286 0.000 0.967 698 D HN 0.210 nan 8.370 nan 0.000 0.464 699 V N 1.226 121.304 119.914 0.273 0.000 2.343 699 V HA -0.210 3.908 4.120 -0.003 0.000 0.247 699 V C 2.469 178.766 176.094 0.337 0.000 1.051 699 V CA 1.058 63.554 62.300 0.326 0.000 1.036 699 V CB -0.439 31.436 31.823 0.087 0.000 0.654 699 V HN 0.130 nan 8.190 nan 0.000 0.451 700 L N 0.532 121.884 121.223 0.215 0.000 2.017 700 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 700 L C 2.107 179.101 176.870 0.205 0.000 1.073 700 L CA 2.126 57.075 54.840 0.181 0.000 0.745 700 L CB -0.986 41.142 42.059 0.114 0.000 0.894 700 L HN 0.316 nan 8.230 nan 0.000 0.432 701 D N -1.173 119.353 120.400 0.210 0.000 2.144 701 D HA -0.272 4.366 4.640 -0.003 0.000 0.199 701 D C 1.885 178.341 176.300 0.260 0.000 0.984 701 D CA 1.356 55.466 54.000 0.185 0.000 0.834 701 D CB -0.478 40.418 40.800 0.159 0.000 0.955 701 D HN 0.632 nan 8.370 nan 0.000 0.465 702 W N 1.554 122.944 121.300 0.151 0.000 2.354 702 W HA -0.175 4.483 4.660 -0.003 0.000 0.315 702 W C 1.802 178.517 176.519 0.327 0.000 1.206 702 W CA 0.759 58.222 57.345 0.197 0.000 1.290 702 W CB -0.236 29.358 29.460 0.223 0.000 1.152 702 W HN -0.030 nan 8.180 nan 0.000 0.489 703 L N 0.541 121.960 121.223 0.327 0.000 2.046 703 L HA -0.229 4.109 4.340 -0.003 0.000 0.208 703 L C 2.657 179.665 176.870 0.231 0.000 1.077 703 L CA 1.302 56.340 54.840 0.329 0.000 0.747 703 L CB -1.077 41.212 42.059 0.383 0.000 0.896 703 L HN -0.091 nan 8.230 nan 0.000 0.432 704 E N 0.181 120.462 120.200 0.134 0.000 2.110 704 E HA -0.260 4.088 4.350 -0.003 0.000 0.193 704 E C 1.985 178.562 176.600 -0.039 0.000 0.988 704 E CA 1.183 57.605 56.400 0.036 0.000 0.804 704 E CB -0.040 29.680 29.700 0.033 0.000 0.745 704 E HN 0.552 nan 8.360 nan 0.000 0.458 705 E N -0.258 119.898 120.200 -0.073 0.000 2.072 705 E HA -0.183 4.165 4.350 -0.003 0.000 0.191 705 E C 1.808 178.163 176.600 -0.409 0.000 0.985 705 E CA 1.057 57.308 56.400 -0.248 0.000 0.801 705 E CB -0.137 29.376 29.700 -0.311 0.000 0.750 705 E HN 0.226 nan 8.360 nan 0.000 0.452 706 W N 0.758 121.807 121.300 -0.418 0.000 2.381 706 W HA -0.027 4.632 4.660 -0.003 0.000 0.301 706 W C 2.195 178.469 176.519 -0.409 0.000 1.205 706 W CA 0.604 57.611 57.345 -0.564 0.000 1.285 706 W CB -0.261 28.862 29.460 -0.562 0.000 1.133 706 W HN 0.116 nan 8.180 nan 0.000 0.521 707 L N -0.306 120.914 121.223 -0.005 0.000 2.056 707 L HA -0.218 4.120 4.340 -0.003 0.000 0.207 707 L C 2.432 179.247 176.870 -0.091 0.000 1.078 707 L CA 1.364 56.161 54.840 -0.071 0.000 0.749 707 L CB -0.842 41.099 42.059 -0.196 0.000 0.901 707 L HN 0.069 nan 8.230 nan 0.000 0.433 708 Q N -0.894 118.831 119.800 -0.124 0.000 2.137 708 Q HA -0.116 4.222 4.340 -0.003 0.000 0.198 708 Q C 2.094 177.998 176.000 -0.159 0.000 0.960 708 Q CA 1.878 57.608 55.803 -0.122 0.000 0.847 708 Q CB 0.053 28.726 28.738 -0.110 0.000 0.915 708 Q HN 0.587 nan 8.270 nan 0.000 0.448 709 T N -2.741 111.664 114.554 -0.248 0.000 3.022 709 T HA 0.138 4.486 4.350 -0.003 0.000 0.250 709 T C 1.307 175.801 174.700 -0.344 0.000 1.060 709 T CA 0.071 62.002 62.100 -0.283 0.000 1.013 709 T CB 0.426 69.092 68.868 -0.335 0.000 0.982 709 T HN -0.017 nan 8.240 nan 0.000 0.508 710 E N 0.010 119.945 120.200 -0.443 0.000 2.357 710 E HA 0.176 4.524 4.350 -0.003 0.000 0.202 710 E C -0.055 176.321 176.600 -0.374 0.000 0.855 710 E CA 0.353 56.403 56.400 -0.584 0.000 1.048 710 E CB 0.468 29.509 29.700 -1.099 0.000 1.037 710 E HN 0.579 nan 8.360 nan 0.000 0.499 711 W N 3.574 124.885 121.300 0.018 0.000 1.759 711 W HA 0.318 4.976 4.660 -0.003 0.000 0.291 711 W C -1.985 174.501 176.519 -0.055 0.000 0.855 711 W CA -2.063 55.282 57.345 0.001 0.000 2.167 711 W CB 0.385 29.868 29.460 0.039 0.000 2.351 711 W HN 0.017 nan 8.180 nan 0.000 0.423 712 P HA -0.171 nan 4.420 nan 0.000 0.230 712 P C 1.182 178.501 177.300 0.031 0.000 1.158 712 P CA 1.572 64.687 63.100 0.025 0.000 0.769 712 P CB 0.250 31.945 31.700 -0.008 0.000 0.807 713 E N 0.080 120.318 120.200 0.064 0.000 2.478 713 E HA 0.013 4.361 4.350 -0.003 0.000 0.194 713 E C 0.640 177.254 176.600 0.024 0.000 1.045 713 E CA -0.045 56.378 56.400 0.039 0.000 0.868 713 E CB -0.713 29.015 29.700 0.046 0.000 0.885 713 E HN 0.314 nan 8.360 nan 0.000 0.505 714 L N 2.309 123.548 121.223 0.027 0.000 2.380 714 L HA 0.142 4.480 4.340 -0.003 0.000 0.273 714 L C 0.249 177.096 176.870 -0.039 0.000 1.138 714 L CA -0.509 54.322 54.840 -0.014 0.000 0.832 714 L CB 0.624 42.660 42.059 -0.040 0.000 1.124 714 L HN -0.103 nan 8.230 nan 0.000 0.454 715 D N 3.468 123.852 120.400 -0.026 0.000 2.483 715 D HA 0.330 4.968 4.640 -0.003 0.000 0.220 715 D C -1.063 175.221 176.300 -0.026 0.000 1.173 715 D CA -0.036 53.952 54.000 -0.020 0.000 0.964 715 D CB 0.415 41.215 40.800 0.001 0.000 1.046 715 D HN 0.073 nan 8.370 nan 0.000 0.517 716 V N 3.126 123.000 119.914 -0.067 0.000 2.612 716 V HA 0.415 4.534 4.120 -0.003 0.000 0.301 716 V C -0.136 175.917 176.094 -0.068 0.000 1.059 716 V CA -0.778 61.477 62.300 -0.075 0.000 0.886 716 V CB 2.203 33.886 31.823 -0.233 0.000 1.007 716 V HN 0.441 nan 8.190 nan 0.000 0.426 717 T N 3.596 118.143 114.554 -0.011 0.000 2.812 717 T HA 0.539 4.887 4.350 -0.003 0.000 0.282 717 T C -0.461 174.255 174.700 0.026 0.000 0.990 717 T CA -0.330 61.769 62.100 -0.002 0.000 0.960 717 T CB 1.212 70.083 68.868 0.004 0.000 0.948 717 T HN 0.722 nan 8.240 nan 0.000 0.438 718 C N 2.334 121.649 119.300 0.025 0.000 2.529 718 C HA 0.939 5.397 4.460 -0.003 0.000 0.329 718 C C 0.276 175.284 174.990 0.031 0.000 1.194 718 C CA -0.635 58.410 59.018 0.046 0.000 1.779 718 C CB 1.473 29.256 27.740 0.071 0.000 2.322 718 C HN 0.912 nan 8.230 nan 0.000 0.500 719 T N 0.900 115.471 114.554 0.029 0.000 3.105 719 T HA 0.274 4.622 4.350 -0.003 0.000 0.321 719 T C -0.644 174.061 174.700 0.009 0.000 1.135 719 T CA -0.239 61.870 62.100 0.015 0.000 1.053 719 T CB 1.588 70.459 68.868 0.006 0.000 1.133 719 T HN 0.749 nan 8.240 nan 0.000 0.463 720 S N 1.682 117.387 115.700 0.008 0.000 2.531 720 S HA 0.347 4.815 4.470 -0.003 0.000 0.279 720 S C 0.985 175.578 174.600 -0.012 0.000 1.305 720 S CA -0.383 57.820 58.200 0.004 0.000 1.058 720 S CB 0.035 63.244 63.200 0.015 0.000 0.899 720 S HN 0.778 nan 8.310 nan 0.000 0.493 721 V N 2.656 122.556 119.914 -0.025 0.000 3.166 721 V HA 0.270 4.388 4.120 -0.003 0.000 0.332 721 V C 1.342 177.418 176.094 -0.031 0.000 1.434 721 V CA 0.113 62.391 62.300 -0.038 0.000 1.121 721 V CB -0.634 31.157 31.823 -0.054 0.000 1.062 721 V HN 0.737 nan 8.190 nan 0.000 0.489 722 T N 1.089 115.641 114.554 -0.004 0.000 2.635 722 T HA -0.169 4.179 4.350 -0.003 0.000 0.267 722 T C 1.686 176.420 174.700 0.058 0.000 1.040 722 T CA 2.426 64.544 62.100 0.031 0.000 1.156 722 T CB -0.192 68.728 68.868 0.086 0.000 0.863 722 T HN 0.601 nan 8.240 nan 0.000 0.430 723 E N 0.643 120.879 120.200 0.060 0.000 2.347 723 E HA -0.073 4.275 4.350 -0.003 0.000 0.196 723 E C 2.248 178.838 176.600 -0.017 0.000 1.008 723 E CA 0.522 56.958 56.400 0.060 0.000 0.852 723 E CB -0.151 29.570 29.700 0.035 0.000 0.783 723 E HN 0.418 nan 8.360 nan 0.000 0.505 724 Q N 0.519 120.288 119.800 -0.052 0.000 2.172 724 Q HA 0.012 4.350 4.340 -0.003 0.000 0.200 724 Q C 0.313 176.248 176.000 -0.109 0.000 0.964 724 Q CA 0.756 56.489 55.803 -0.117 0.000 0.855 724 Q CB 0.237 28.912 28.738 -0.105 0.000 0.918 724 Q HN 0.130 nan 8.270 nan 0.000 0.444 725 L N 0.823 122.017 121.223 -0.049 0.000 2.341 725 L HA 0.749 5.087 4.340 -0.003 0.000 0.278 725 L C -0.558 176.319 176.870 0.011 0.000 1.005 725 L CA -1.021 53.808 54.840 -0.019 0.000 0.818 725 L CB 1.840 43.895 42.059 -0.008 0.000 1.259 725 L HN 0.010 nan 8.230 nan 0.000 0.418 726 A N 2.021 124.862 122.820 0.035 0.000 2.282 726 A HA 0.903 5.221 4.320 -0.003 0.000 0.319 726 A C -0.331 177.296 177.584 0.071 0.000 1.121 726 A CA -0.340 51.729 52.037 0.053 0.000 0.836 726 A CB 1.187 20.237 19.000 0.083 0.000 1.146 726 A HN 0.637 nan 8.150 nan 0.000 0.494 727 T N 0.532 115.130 114.554 0.073 0.000 3.032 727 T HA 0.497 4.846 4.350 -0.003 0.000 0.312 727 T C -1.170 173.612 174.700 0.138 0.000 1.078 727 T CA -0.322 61.835 62.100 0.095 0.000 1.028 727 T CB 1.380 70.290 68.868 0.070 0.000 1.091 727 T HN 0.538 nan 8.240 nan 0.000 0.457 728 V N 2.404 122.412 119.914 0.157 0.000 2.409 728 V HA 0.769 4.887 4.120 -0.003 0.000 0.291 728 V C 0.170 176.334 176.094 0.117 0.000 1.020 728 V CA -0.940 61.477 62.300 0.195 0.000 0.848 728 V CB 1.335 33.261 31.823 0.172 0.000 0.990 728 V HN 1.092 nan 8.190 nan 0.000 0.430 729 A N 4.984 127.871 122.820 0.112 0.000 2.260 729 A HA 0.737 5.055 4.320 -0.003 0.000 0.308 729 A C -0.416 177.223 177.584 0.092 0.000 1.254 729 A CA -0.422 51.675 52.037 0.100 0.000 0.874 729 A CB 0.815 19.880 19.000 0.107 0.000 1.153 729 A HN 0.720 nan 8.150 nan 0.000 0.527 730 V N 4.456 124.435 119.914 0.109 0.000 2.311 730 V HA 0.361 4.480 4.120 -0.003 0.000 0.275 730 V C -0.127 176.058 176.094 0.152 0.000 1.022 730 V CA -0.383 61.977 62.300 0.100 0.000 0.830 730 V CB 0.732 32.596 31.823 0.068 0.000 1.012 730 V HN 0.606 nan 8.190 nan 0.000 0.452 731 V N 3.470 123.480 119.914 0.159 0.000 2.581 731 V HA 1.041 5.159 4.120 -0.003 0.000 0.303 731 V C 0.539 176.670 176.094 0.061 0.000 1.041 731 V CA 0.100 62.476 62.300 0.127 0.000 0.907 731 V CB 1.333 33.262 31.823 0.177 0.000 0.994 731 V HN 1.207 nan 8.190 nan 0.000 0.442 732 G N 4.494 113.308 108.800 0.023 0.000 2.375 732 G HA2 0.071 4.029 3.960 -0.003 0.000 0.663 732 G HA3 0.071 4.029 3.960 -0.003 0.000 0.663 732 G C -2.367 172.517 174.900 -0.027 0.000 1.391 732 G CA -0.138 44.952 45.100 -0.017 0.000 0.949 732 G HN 0.489 nan 8.290 nan 0.000 0.646 733 P HA -0.100 nan 4.420 nan 0.000 0.221 733 P C 1.121 178.356 177.300 -0.108 0.000 1.145 733 P CA 0.886 63.949 63.100 -0.062 0.000 0.795 733 P CB 0.209 31.873 31.700 -0.060 0.000 0.775 734 R N -0.076 120.322 120.500 -0.170 0.000 2.359 734 R HA 0.146 4.484 4.340 -0.003 0.000 0.231 734 R C 2.140 178.250 176.300 -0.316 0.000 0.913 734 R CA 0.445 56.326 56.100 -0.366 0.000 1.075 734 R CB -0.811 29.145 30.300 -0.573 0.000 1.087 734 R HN 0.328 nan 8.270 nan 0.000 0.515 735 S N 0.390 116.029 115.700 -0.103 0.000 2.399 735 S HA -0.156 4.312 4.470 -0.003 0.000 0.231 735 S C 2.034 176.574 174.600 -0.100 0.000 1.022 735 S CA 0.660 58.858 58.200 -0.004 0.000 0.983 735 S CB -0.137 63.188 63.200 0.209 0.000 0.803 735 S HN 0.254 nan 8.310 nan 0.000 0.480 736 R N 1.476 121.951 120.500 -0.042 0.000 2.091 736 R HA -0.133 4.206 4.340 -0.003 0.000 0.238 736 R C 1.518 177.640 176.300 -0.296 0.000 1.136 736 R CA 1.972 57.939 56.100 -0.222 0.000 0.959 736 R CB -0.521 29.769 30.300 -0.018 0.000 0.856 736 R HN 0.503 nan 8.270 nan 0.000 0.437 737 D N -0.200 120.033 120.400 -0.279 0.000 2.144 737 D HA -0.118 4.520 4.640 -0.003 0.000 0.200 737 D C 1.942 178.162 176.300 -0.134 0.000 0.978 737 D CA 1.211 55.065 54.000 -0.243 0.000 0.833 737 D CB 0.064 40.562 40.800 -0.502 0.000 0.961 737 D HN 0.141 nan 8.370 nan 0.000 0.470 738 V N 1.957 121.766 119.914 -0.175 0.000 2.307 738 V HA -0.201 3.917 4.120 -0.003 0.000 0.245 738 V C 2.548 178.567 176.094 -0.126 0.000 1.045 738 V CA 0.924 63.187 62.300 -0.062 0.000 1.024 738 V CB -0.259 31.525 31.823 -0.066 0.000 0.651 738 V HN 0.155 nan 8.190 nan 0.000 0.449 739 I N 0.976 121.389 120.570 -0.261 0.000 2.226 739 I HA -0.229 3.939 4.170 -0.003 0.000 0.245 739 I C 2.763 178.754 176.117 -0.209 0.000 1.100 739 I CA 1.937 63.050 61.300 -0.312 0.000 1.374 739 I CB -1.686 35.908 38.000 -0.678 0.000 1.057 739 I HN 0.321 nan 8.210 nan 0.000 0.413 740 A N 0.962 123.664 122.820 -0.197 0.000 1.986 740 A HA -0.233 4.085 4.320 -0.003 0.000 0.220 740 A C 2.307 179.858 177.584 -0.055 0.000 1.171 740 A CA 1.688 53.661 52.037 -0.107 0.000 0.640 740 A CB -0.525 18.425 19.000 -0.082 0.000 0.811 740 A HN 0.432 nan 8.150 nan 0.000 0.451 741 K N -1.108 119.267 120.400 -0.041 0.000 2.296 741 K HA 0.059 4.377 4.320 -0.003 0.000 0.200 741 K C 1.378 177.963 176.600 -0.024 0.000 1.048 741 K CA 0.718 56.995 56.287 -0.016 0.000 0.966 741 K CB -0.155 32.349 32.500 0.007 0.000 0.754 741 K HN 0.321 nan 8.250 nan 0.000 0.466 742 L N 0.219 121.417 121.223 -0.041 0.000 2.270 742 L HA 0.031 4.369 4.340 -0.003 0.000 0.210 742 L C 0.714 177.571 176.870 -0.021 0.000 1.104 742 L CA 0.801 55.622 54.840 -0.032 0.000 0.804 742 L CB 0.041 42.075 42.059 -0.042 0.000 0.937 742 L HN -0.022 nan 8.230 nan 0.000 0.450 743 A N -1.644 121.161 122.820 -0.025 0.000 2.646 743 A HA 0.454 4.772 4.320 -0.003 0.000 0.312 743 A C 1.194 178.774 177.584 -0.008 0.000 1.245 743 A CA 0.169 52.202 52.037 -0.008 0.000 0.755 743 A CB 0.409 19.413 19.000 0.006 0.000 1.132 743 A HN 0.190 nan 8.150 nan 0.000 0.458 744 S N 1.449 117.147 115.700 -0.004 0.000 2.372 744 S HA -0.227 4.241 4.470 -0.003 0.000 0.227 744 S C 1.724 176.325 174.600 0.002 0.000 1.044 744 S CA 2.257 60.456 58.200 -0.002 0.000 1.050 744 S CB -0.624 62.576 63.200 -0.000 0.000 0.901 744 S HN 1.589 nan 8.310 nan 0.000 0.447 745 S N 0.833 116.537 115.700 0.006 0.000 2.631 745 S HA 0.353 4.822 4.470 -0.003 0.000 0.217 745 S C 0.471 175.081 174.600 0.016 0.000 0.958 745 S CA -0.605 57.601 58.200 0.009 0.000 0.920 745 S CB -0.417 62.788 63.200 0.008 0.000 0.776 745 S HN 0.497 nan 8.310 nan 0.000 0.517 746 L N 2.958 124.194 121.223 0.022 0.000 2.290 746 L HA 0.429 4.768 4.340 -0.003 0.000 0.284 746 L C -0.648 176.254 176.870 0.053 0.000 1.078 746 L CA 0.168 55.035 54.840 0.045 0.000 0.815 746 L CB 1.065 43.162 42.059 0.064 0.000 1.162 746 L HN 0.151 nan 8.230 nan 0.000 0.435 747 D N 4.257 124.702 120.400 0.075 0.000 2.352 747 D HA 0.090 4.728 4.640 -0.003 0.000 0.245 747 D C 0.854 177.255 176.300 0.167 0.000 1.224 747 D CA -0.204 53.846 54.000 0.084 0.000 0.879 747 D CB 1.069 41.907 40.800 0.065 0.000 1.057 747 D HN 0.446 nan 8.370 nan 0.000 0.491 748 V N 1.771 121.748 119.914 0.104 0.000 3.514 748 V HA 0.133 4.251 4.120 -0.003 0.000 0.301 748 V C 0.910 177.082 176.094 0.130 0.000 1.346 748 V CA -0.342 62.014 62.300 0.094 0.000 1.156 748 V CB -1.122 30.605 31.823 -0.160 0.000 1.029 748 V HN 0.450 nan 8.190 nan 0.000 0.428 749 S N 0.558 116.335 115.700 0.128 0.000 2.572 749 S HA 0.058 4.526 4.470 -0.003 0.000 0.279 749 S C 1.231 175.927 174.600 0.159 0.000 1.341 749 S CA 0.373 58.637 58.200 0.107 0.000 1.043 749 S CB 0.604 63.847 63.200 0.072 0.000 0.887 749 S HN 0.573 nan 8.310 nan 0.000 0.516 750 N N 1.679 120.453 118.700 0.122 0.000 2.205 750 N HA -0.198 4.540 4.740 -0.003 0.000 0.186 750 N C 0.530 176.114 175.510 0.124 0.000 1.015 750 N CA 1.926 55.053 53.050 0.129 0.000 0.862 750 N CB -0.391 38.138 38.487 0.070 0.000 0.986 750 N HN 0.738 nan 8.380 nan 0.000 0.429 751 D N -0.088 120.365 120.400 0.089 0.000 2.183 751 D HA 0.046 4.684 4.640 -0.003 0.000 0.203 751 D C 1.641 177.982 176.300 0.069 0.000 0.969 751 D CA 1.017 55.056 54.000 0.064 0.000 0.842 751 D CB -0.080 40.744 40.800 0.039 0.000 0.957 751 D HN 0.403 nan 8.370 nan 0.000 0.484 752 A N -0.970 121.908 122.820 0.096 0.000 2.147 752 A HA 0.175 4.494 4.320 -0.003 0.000 0.211 752 A C 0.486 178.138 177.584 0.113 0.000 1.160 752 A CA -0.026 52.057 52.037 0.077 0.000 0.781 752 A CB 0.024 19.070 19.000 0.076 0.000 0.842 752 A HN 0.251 nan 8.150 nan 0.000 0.475 753 F N 1.169 121.155 119.950 0.060 0.000 2.809 753 F HA 0.325 4.851 4.527 -0.003 0.000 0.369 753 F C -0.105 175.752 175.800 0.094 0.000 1.225 753 F CA -0.898 57.158 58.000 0.093 0.000 1.201 753 F CB 0.721 39.828 39.000 0.178 0.000 1.527 753 F HN -0.085 nan 8.300 nan 0.000 0.565 754 K N 2.585 123.175 120.400 0.317 0.000 2.138 754 K HA 0.155 4.473 4.320 -0.003 0.000 0.251 754 K C -0.298 176.466 176.600 0.273 0.000 1.015 754 K CA -0.636 55.793 56.287 0.236 0.000 0.917 754 K CB 0.884 33.460 32.500 0.127 0.000 1.021 754 K HN 0.386 nan 8.250 nan 0.000 0.485 755 F N 2.251 122.231 119.950 0.050 0.000 2.602 755 F HA -0.096 4.429 4.527 -0.003 0.000 0.367 755 F C 0.832 176.655 175.800 0.039 0.000 1.126 755 F CA 0.538 58.541 58.000 0.005 0.000 1.321 755 F CB 0.126 39.108 39.000 -0.029 0.000 1.094 755 F HN 0.531 nan 8.300 nan 0.000 0.594 756 M N 2.621 121.789 119.600 -0.721 0.000 2.856 756 M HA -0.245 4.234 4.480 -0.003 0.000 0.189 756 M C -0.286 175.938 176.300 -0.127 0.000 0.612 756 M CA 1.164 56.125 55.300 -0.564 0.000 0.673 756 M CB -2.613 29.549 32.600 -0.730 0.000 2.440 756 M HN 0.729 nan 8.290 nan 0.000 0.437 757 A N 0.283 123.116 122.820 0.021 0.000 2.299 757 A HA 0.931 5.249 4.320 -0.003 0.000 0.332 757 A C -0.366 177.356 177.584 0.230 0.000 1.131 757 A CA -0.500 51.563 52.037 0.044 0.000 0.844 757 A CB 1.098 20.078 19.000 -0.034 0.000 1.251 757 A HN 0.578 nan 8.150 nan 0.000 0.486 758 F N -1.380 118.583 119.950 0.022 0.000 2.613 758 F HA 0.802 5.327 4.527 -0.003 0.000 0.314 758 F C -0.708 175.032 175.800 -0.100 0.000 1.075 758 F CA -0.807 57.238 58.000 0.075 0.000 0.945 758 F CB 1.541 40.592 39.000 0.084 0.000 1.310 758 F HN 0.540 nan 8.300 nan 0.000 0.467 759 Q N 1.292 121.189 119.800 0.162 0.000 2.315 759 Q HA 0.283 4.621 4.340 -0.003 0.000 0.273 759 Q C -1.934 174.177 176.000 0.185 0.000 1.053 759 Q CA -1.010 54.785 55.803 -0.013 0.000 0.817 759 Q CB 2.863 31.422 28.738 -0.297 0.000 1.326 759 Q HN 0.587 nan 8.270 nan 0.000 0.423 760 D N 2.512 123.000 120.400 0.146 0.000 2.336 760 D HA 0.208 4.846 4.640 -0.003 0.000 0.249 760 D C -0.588 175.767 176.300 0.090 0.000 1.213 760 D CA 0.156 54.240 54.000 0.139 0.000 0.870 760 D CB 1.338 42.211 40.800 0.122 0.000 1.076 760 D HN 0.251 nan 8.370 nan 0.000 0.483 761 V N 0.918 120.893 119.914 0.102 0.000 2.823 761 V HA 0.555 4.674 4.120 -0.003 0.000 0.312 761 V C -0.321 175.809 176.094 0.060 0.000 1.072 761 V CA -0.492 61.854 62.300 0.076 0.000 0.937 761 V CB 2.343 34.223 31.823 0.096 0.000 1.013 761 V HN 0.343 nan 8.190 nan 0.000 0.430 762 T N 7.317 121.895 114.554 0.041 0.000 2.738 762 T HA 0.519 4.868 4.350 -0.003 0.000 0.298 762 T C 0.111 174.821 174.700 0.018 0.000 0.962 762 T CA -0.175 61.941 62.100 0.027 0.000 0.972 762 T CB 0.332 69.213 68.868 0.021 0.000 0.928 762 T HN 0.664 nan 8.240 nan 0.000 0.474 763 L N 2.739 123.968 121.223 0.009 0.000 2.482 763 L HA 0.098 4.437 4.340 -0.003 0.000 0.273 763 L C 1.549 178.417 176.870 -0.004 0.000 1.228 763 L CA -0.615 54.226 54.840 0.002 0.000 0.827 763 L CB 0.300 42.355 42.059 -0.006 0.000 1.099 763 L HN 0.557 nan 8.230 nan 0.000 0.494 764 D N 0.174 120.572 120.400 -0.003 0.000 2.158 764 D HA -0.181 4.457 4.640 -0.003 0.000 0.197 764 D C 2.170 178.468 176.300 -0.003 0.000 0.995 764 D CA 1.792 55.791 54.000 -0.001 0.000 0.846 764 D CB -0.072 40.727 40.800 -0.001 0.000 0.941 764 D HN 0.724 nan 8.370 nan 0.000 0.456 765 S N -1.112 114.583 115.700 -0.008 0.000 2.419 765 S HA 0.019 4.488 4.470 -0.003 0.000 0.233 765 S C 1.878 176.466 174.600 -0.020 0.000 1.016 765 S CA 1.323 59.517 58.200 -0.010 0.000 0.974 765 S CB -0.013 63.179 63.200 -0.014 0.000 0.786 765 S HN 0.406 nan 8.310 nan 0.000 0.492 766 G N 0.530 109.314 108.800 -0.027 0.000 2.184 766 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.206 766 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.206 766 G C -0.022 174.845 174.900 -0.056 0.000 0.995 766 G CA -0.150 44.935 45.100 -0.025 0.000 0.651 766 G HN 0.546 nan 8.290 nan 0.000 0.511 767 I N 1.755 122.258 120.570 -0.112 0.000 2.452 767 I HA 0.323 4.491 4.170 -0.003 0.000 0.287 767 I C 0.751 176.824 176.117 -0.074 0.000 1.079 767 I CA -0.514 60.661 61.300 -0.208 0.000 1.387 767 I CB 1.121 38.918 38.000 -0.339 0.000 1.404 767 I HN 0.153 nan 8.210 nan 0.000 0.522 768 E N 6.019 126.206 120.200 -0.021 0.000 2.360 768 E HA 0.559 4.907 4.350 -0.003 0.000 0.269 768 E C -0.846 175.786 176.600 0.053 0.000 1.022 768 E CA -0.116 56.304 56.400 0.034 0.000 0.887 768 E CB 0.987 30.724 29.700 0.062 0.000 0.990 768 E HN 0.661 nan 8.360 nan 0.000 0.426 769 A N 4.336 127.195 122.820 0.065 0.000 2.593 769 A HA 0.763 5.082 4.320 -0.003 0.000 0.290 769 A C -1.222 176.426 177.584 0.107 0.000 1.126 769 A CA -0.810 51.277 52.037 0.084 0.000 0.695 769 A CB 1.420 20.469 19.000 0.080 0.000 1.290 769 A HN 0.594 nan 8.150 nan 0.000 0.414 770 R N 0.800 121.374 120.500 0.124 0.000 2.473 770 R HA 0.646 4.984 4.340 -0.003 0.000 0.303 770 R C -1.848 174.574 176.300 0.205 0.000 1.002 770 R CA -0.338 55.861 56.100 0.165 0.000 0.884 770 R CB 0.693 31.059 30.300 0.111 0.000 1.173 770 R HN 0.634 nan 8.270 nan 0.000 0.464 771 I N 3.473 124.222 120.570 0.297 0.000 2.321 771 I HA 0.288 4.456 4.170 -0.003 0.000 0.291 771 I C -0.370 176.058 176.117 0.518 0.000 0.998 771 I CA -0.453 61.066 61.300 0.366 0.000 1.227 771 I CB 1.960 40.198 38.000 0.398 0.000 1.368 771 I HN 0.578 nan 8.210 nan 0.000 0.466 772 S N 5.923 121.835 115.700 0.352 0.000 2.482 772 S HA 0.450 4.918 4.470 -0.003 0.000 0.303 772 S C 0.006 174.697 174.600 0.151 0.000 1.091 772 S CA -0.902 57.492 58.200 0.323 0.000 1.057 772 S CB 1.751 65.039 63.200 0.147 0.000 1.031 772 S HN 0.498 nan 8.310 nan 0.000 0.485 773 R N 2.329 122.897 120.500 0.114 0.000 3.268 773 R HA 0.306 4.644 4.340 -0.003 0.000 0.217 773 R C -0.795 175.418 176.300 -0.145 0.000 1.568 773 R CA 0.144 56.139 56.100 -0.174 0.000 1.322 773 R CB -0.512 29.683 30.300 -0.175 0.000 1.280 773 R HN 0.535 nan 8.270 nan 0.000 0.667 774 I N 0.428 120.935 120.570 -0.106 0.000 2.378 774 I HA 0.165 4.333 4.170 -0.003 0.000 0.291 774 I C 0.091 176.212 176.117 0.007 0.000 0.992 774 I CA -0.406 60.842 61.300 -0.088 0.000 1.154 774 I CB 2.016 39.939 38.000 -0.128 0.000 1.315 774 I HN 0.189 nan 8.210 nan 0.000 0.448 775 S N 5.259 121.027 115.700 0.113 0.000 2.502 775 S HA 0.479 4.947 4.470 -0.003 0.000 0.304 775 S C -0.403 174.309 174.600 0.187 0.000 1.097 775 S CA -0.337 57.966 58.200 0.172 0.000 1.045 775 S CB 0.991 64.320 63.200 0.214 0.000 1.019 775 S HN 0.493 nan 8.310 nan 0.000 0.481 776 F N 4.190 124.138 119.950 -0.003 0.000 2.698 776 F HA 0.356 4.882 4.527 -0.003 0.000 0.304 776 F C 1.325 177.350 175.800 0.376 0.000 1.108 776 F CA 0.003 57.918 58.000 -0.141 0.000 1.263 776 F CB 0.282 39.203 39.000 -0.132 0.000 1.013 776 F HN 0.624 nan 8.300 nan 0.000 0.532 777 S N -2.376 113.567 115.700 0.406 0.000 2.628 777 S HA 0.427 4.896 4.470 -0.003 0.000 0.246 777 S C 1.558 176.252 174.600 0.156 0.000 1.062 777 S CA 0.373 58.700 58.200 0.212 0.000 1.028 777 S CB 0.486 63.745 63.200 0.099 0.000 0.985 777 S HN 0.627 nan 8.310 nan 0.000 0.551 778 G N 1.094 110.033 108.800 0.232 0.000 2.195 778 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.246 778 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.246 778 G C -0.138 174.769 174.900 0.012 0.000 0.984 778 G CA 0.215 45.364 45.100 0.082 0.000 0.633 778 G HN 0.503 nan 8.290 nan 0.000 0.525 779 E N -0.356 119.867 120.200 0.038 0.000 2.280 779 E HA 0.553 4.901 4.350 -0.003 0.000 0.261 779 E C 0.409 176.990 176.600 -0.033 0.000 1.088 779 E CA -1.051 55.348 56.400 -0.003 0.000 0.915 779 E CB 1.422 31.125 29.700 0.005 0.000 1.141 779 E HN 0.363 nan 8.360 nan 0.000 0.433 780 L N 1.192 122.378 121.223 -0.062 0.000 2.499 780 L HA 0.275 4.613 4.340 -0.003 0.000 0.273 780 L C -0.666 176.137 176.870 -0.112 0.000 1.195 780 L CA 0.479 55.251 54.840 -0.112 0.000 0.882 780 L CB -0.092 41.927 42.059 -0.067 0.000 1.133 780 L HN 0.514 nan 8.230 nan 0.000 0.483 781 A N 4.711 127.368 122.820 -0.271 0.000 2.549 781 A HA 0.795 5.113 4.320 -0.003 0.000 0.297 781 A C -1.600 175.677 177.584 -0.513 0.000 1.061 781 A CA -0.483 51.440 52.037 -0.191 0.000 0.690 781 A CB 0.872 19.864 19.000 -0.014 0.000 1.287 781 A HN 0.545 nan 8.150 nan 0.000 0.402 782 F N 0.455 120.382 119.950 -0.038 0.000 2.539 782 F HA 0.460 4.985 4.527 -0.003 0.000 0.318 782 F C 0.208 175.998 175.800 -0.016 0.000 1.135 782 F CA -0.155 57.802 58.000 -0.072 0.000 0.915 782 F CB 2.519 41.429 39.000 -0.149 0.000 1.176 782 F HN 0.583 nan 8.300 nan 0.000 0.440 783 E N 4.197 124.489 120.200 0.154 0.000 2.113 783 E HA 0.453 4.801 4.350 -0.003 0.000 0.273 783 E C -0.845 175.836 176.600 0.136 0.000 0.924 783 E CA -0.458 56.010 56.400 0.113 0.000 0.764 783 E CB 1.740 31.467 29.700 0.046 0.000 1.104 783 E HN 0.470 nan 8.360 nan 0.000 0.406 784 I N 2.904 123.546 120.570 0.121 0.000 2.291 784 I HA 0.287 4.455 4.170 -0.003 0.000 0.290 784 I C 0.024 176.207 176.117 0.111 0.000 1.050 784 I CA -0.407 60.962 61.300 0.115 0.000 1.245 784 I CB 1.050 39.103 38.000 0.088 0.000 1.405 784 I HN 0.422 nan 8.210 nan 0.000 0.478 785 A N 8.965 131.852 122.820 0.111 0.000 2.271 785 A HA 0.814 5.132 4.320 -0.003 0.000 0.317 785 A C -0.335 177.307 177.584 0.097 0.000 1.245 785 A CA -0.444 51.654 52.037 0.101 0.000 0.857 785 A CB 0.646 19.705 19.000 0.099 0.000 1.175 785 A HN 0.659 nan 8.150 nan 0.000 0.512 786 I N -0.133 120.500 120.570 0.104 0.000 3.074 786 I HA 0.680 4.849 4.170 -0.003 0.000 0.310 786 I C -3.236 172.954 176.117 0.122 0.000 1.153 786 I CA -3.054 58.323 61.300 0.128 0.000 0.993 786 I CB 1.087 39.185 38.000 0.164 0.000 1.237 786 I HN 0.186 nan 8.210 nan 0.000 0.443 787 P HA 0.091 nan 4.420 nan 0.000 0.264 787 P C 0.761 178.039 177.300 -0.036 0.000 1.183 787 P CA 0.623 63.710 63.100 -0.022 0.000 0.763 787 P CB 0.660 32.356 31.700 -0.007 0.000 0.807 788 A N 4.771 127.498 122.820 -0.155 0.000 1.929 788 A HA -0.209 4.109 4.320 -0.003 0.000 0.221 788 A C 1.482 179.104 177.584 0.062 0.000 1.211 788 A CA 2.356 54.359 52.037 -0.056 0.000 0.657 788 A CB -1.882 17.062 19.000 -0.095 0.000 0.827 788 A HN 0.814 nan 8.150 nan 0.000 0.462 789 W N -1.481 119.789 121.300 -0.050 0.000 2.848 789 W HA 0.069 4.728 4.660 -0.003 0.000 0.241 789 W C 0.994 177.421 176.519 -0.153 0.000 1.289 789 W CA 0.548 57.826 57.345 -0.111 0.000 1.396 789 W CB -1.219 28.141 29.460 -0.167 0.000 1.138 789 W HN 0.466 nan 8.180 nan 0.000 0.677 790 H N -0.136 119.199 119.070 0.442 0.000 2.586 790 H HA 0.274 4.828 4.556 -0.003 0.000 0.273 790 H C 2.142 177.585 175.328 0.192 0.000 0.997 790 H CA 0.543 56.764 56.048 0.288 0.000 1.177 790 H CB -0.309 29.616 29.762 0.271 0.000 1.471 790 H HN 0.335 nan 8.280 nan 0.000 0.538 791 G N 1.497 110.453 108.800 0.260 0.000 2.476 791 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.218 791 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.218 791 G C 1.745 176.754 174.900 0.181 0.000 1.164 791 G CA 0.806 46.020 45.100 0.189 0.000 0.768 791 G HN 0.311 nan 8.290 nan 0.000 0.560 792 L N 0.304 121.620 121.223 0.154 0.000 2.027 792 L HA 0.003 4.342 4.340 -0.003 0.000 0.206 792 L C 2.806 179.794 176.870 0.197 0.000 1.074 792 L CA 2.481 57.408 54.840 0.146 0.000 0.745 792 L CB -0.838 41.300 42.059 0.131 0.000 0.898 792 L HN 0.320 nan 8.230 nan 0.000 0.433 793 Q N -0.595 119.324 119.800 0.198 0.000 2.030 793 Q HA -0.173 4.165 4.340 -0.003 0.000 0.204 793 Q C 2.098 178.190 176.000 0.153 0.000 0.986 793 Q CA 2.802 58.712 55.803 0.179 0.000 0.843 793 Q CB -0.745 28.114 28.738 0.201 0.000 0.904 793 Q HN 0.387 nan 8.270 nan 0.000 0.420 794 V N 0.204 120.216 119.914 0.164 0.000 2.343 794 V HA -0.232 3.887 4.120 -0.003 0.000 0.247 794 V C 1.993 178.142 176.094 0.093 0.000 1.051 794 V CA 1.867 64.237 62.300 0.116 0.000 1.036 794 V CB -0.938 30.964 31.823 0.131 0.000 0.654 794 V HN 0.599 nan 8.190 nan 0.000 0.451 795 W N 1.354 122.610 121.300 -0.073 0.000 2.355 795 W HA -0.175 4.483 4.660 -0.003 0.000 0.309 795 W C 2.239 178.610 176.519 -0.246 0.000 1.206 795 W CA 2.077 59.297 57.345 -0.209 0.000 1.284 795 W CB -0.125 29.140 29.460 -0.326 0.000 1.145 795 W HN 0.378 nan 8.180 nan 0.000 0.502 796 E N -0.100 120.117 120.200 0.028 0.000 2.150 796 E HA -0.197 4.151 4.350 -0.003 0.000 0.193 796 E C 1.613 178.244 176.600 0.052 0.000 0.985 796 E CA 1.306 57.743 56.400 0.063 0.000 0.814 796 E CB -0.234 29.598 29.700 0.220 0.000 0.752 796 E HN 0.179 nan 8.360 nan 0.000 0.466 797 D N 0.344 120.756 120.400 0.020 0.000 2.149 797 D HA -0.100 4.538 4.640 -0.003 0.000 0.201 797 D C 2.087 178.356 176.300 -0.051 0.000 0.972 797 D CA 0.665 54.669 54.000 0.005 0.000 0.835 797 D CB -0.070 40.737 40.800 0.012 0.000 0.966 797 D HN 0.012 nan 8.370 nan 0.000 0.476 798 V N 0.750 120.589 119.914 -0.126 0.000 2.358 798 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 798 V C 2.213 178.196 176.094 -0.184 0.000 1.047 798 V CA 1.246 63.436 62.300 -0.183 0.000 1.035 798 V CB -0.603 31.039 31.823 -0.302 0.000 0.658 798 V HN 0.150 nan 8.190 nan 0.000 0.452 799 Y N 1.440 121.492 120.300 -0.414 0.000 2.128 799 Y HA -0.243 4.305 4.550 -0.003 0.000 0.284 799 Y C 2.389 178.219 175.900 -0.116 0.000 1.154 799 Y CA 1.503 59.409 58.100 -0.325 0.000 1.149 799 Y CB -0.696 37.558 38.460 -0.345 0.000 0.976 799 Y HN 0.157 nan 8.280 nan 0.000 0.505 800 A N 0.207 122.991 122.820 -0.061 0.000 1.873 800 A HA -0.060 4.258 4.320 -0.003 0.000 0.215 800 A C 2.432 179.945 177.584 -0.118 0.000 1.186 800 A CA 1.862 53.840 52.037 -0.098 0.000 0.616 800 A CB -1.492 17.512 19.000 0.007 0.000 0.823 800 A HN 0.561 nan 8.150 nan 0.000 0.442 801 A N -0.781 121.993 122.820 -0.077 0.000 1.972 801 A HA 0.151 4.469 4.320 -0.003 0.000 0.219 801 A C 2.128 179.703 177.584 -0.016 0.000 1.169 801 A CA 1.746 53.755 52.037 -0.046 0.000 0.635 801 A CB -0.928 18.057 19.000 -0.024 0.000 0.810 801 A HN 0.804 nan 8.150 nan 0.000 0.446 802 G N -1.797 106.979 108.800 -0.040 0.000 3.088 802 G HA2 0.136 4.095 3.960 -0.003 0.000 0.217 802 G HA3 0.136 4.095 3.960 -0.003 0.000 0.217 802 G C 1.203 176.060 174.900 -0.072 0.000 1.159 802 G CA 0.158 45.298 45.100 0.067 0.000 0.760 802 G HN 0.363 nan 8.290 nan 0.000 0.550 803 Q N 1.432 121.100 119.800 -0.219 0.000 2.077 803 Q HA -0.196 4.143 4.340 -0.003 0.000 0.206 803 Q C 2.343 178.198 176.000 -0.242 0.000 0.989 803 Q CA 1.858 57.501 55.803 -0.266 0.000 0.853 803 Q CB -0.417 28.160 28.738 -0.269 0.000 0.907 803 Q HN 0.904 nan 8.270 nan 0.000 0.418 804 E N -0.559 119.417 120.200 -0.373 0.000 2.409 804 E HA -0.124 4.224 4.350 -0.003 0.000 0.198 804 E C 0.599 176.878 176.600 -0.534 0.000 1.024 804 E CA 0.653 56.758 56.400 -0.492 0.000 0.861 804 E CB -0.182 29.116 29.700 -0.670 0.000 0.788 804 E HN 0.245 nan 8.360 nan 0.000 0.521 805 F N 0.689 120.598 119.950 -0.068 0.000 2.639 805 F HA 0.278 4.803 4.527 -0.003 0.000 0.302 805 F C 0.261 176.032 175.800 -0.048 0.000 1.097 805 F CA -0.580 57.388 58.000 -0.052 0.000 1.294 805 F CB -0.211 38.758 39.000 -0.053 0.000 1.027 805 F HN -0.066 nan 8.300 nan 0.000 0.550 806 N N 1.552 120.278 118.700 0.044 0.000 2.735 806 N HA -0.284 4.454 4.740 -0.003 0.000 0.248 806 N C 0.021 175.561 175.510 0.050 0.000 1.083 806 N CA 0.174 53.241 53.050 0.029 0.000 0.703 806 N CB -1.380 37.133 38.487 0.043 0.000 1.005 806 N HN 0.465 nan 8.380 nan 0.000 0.550 807 I N 0.539 121.131 120.570 0.037 0.000 2.828 807 I HA -0.073 4.095 4.170 -0.003 0.000 0.292 807 I C -0.159 176.008 176.117 0.083 0.000 1.206 807 I CA 0.830 62.157 61.300 0.045 0.000 1.420 807 I CB 0.223 38.220 38.000 -0.005 0.000 1.368 807 I HN 0.255 nan 8.210 nan 0.000 0.556 808 T N 9.414 124.029 114.554 0.101 0.000 2.772 808 T HA 0.402 4.750 4.350 -0.003 0.000 0.288 808 T C -2.447 172.350 174.700 0.162 0.000 0.994 808 T CA -1.053 61.129 62.100 0.137 0.000 0.951 808 T CB 1.170 70.107 68.868 0.114 0.000 0.933 808 T HN 0.465 nan 8.240 nan 0.000 0.447 809 P HA 0.253 nan 4.420 nan 0.000 0.275 809 P C -1.355 175.994 177.300 0.082 0.000 1.227 809 P CA -0.348 62.715 63.100 -0.061 0.000 0.781 809 P CB 0.435 31.909 31.700 -0.377 0.000 0.906 810 Y N -0.524 119.860 120.300 0.140 0.000 2.588 810 Y HA 0.777 5.325 4.550 -0.003 0.000 0.343 810 Y C 0.013 176.205 175.900 0.486 0.000 1.065 810 Y CA -1.193 57.119 58.100 0.353 0.000 1.038 810 Y CB 0.767 39.358 38.460 0.219 0.000 1.297 810 Y HN 0.521 nan 8.280 nan 0.000 0.467 811 G N 0.027 109.139 108.800 0.519 0.000 2.857 811 G HA2 0.367 4.325 3.960 -0.003 0.000 0.217 811 G HA3 0.367 4.325 3.960 -0.003 0.000 0.217 811 G C 0.610 175.732 174.900 0.371 0.000 1.357 811 G CA -0.327 44.963 45.100 0.317 0.000 1.033 811 G HN 0.982 nan 8.290 nan 0.000 0.571 812 T N -1.758 113.019 114.554 0.372 0.000 2.720 812 T HA -0.148 4.200 4.350 -0.003 0.000 0.268 812 T C 1.915 176.944 174.700 0.548 0.000 1.037 812 T CA 2.001 64.376 62.100 0.459 0.000 1.144 812 T CB -0.247 68.841 68.868 0.367 0.000 0.864 812 T HN 0.386 nan 8.240 nan 0.000 0.444 813 E N 1.433 121.945 120.200 0.519 0.000 2.012 813 E HA -0.104 4.244 4.350 -0.003 0.000 0.197 813 E C 2.468 179.252 176.600 0.307 0.000 1.007 813 E CA 2.071 58.696 56.400 0.375 0.000 0.816 813 E CB -1.122 28.706 29.700 0.214 0.000 0.762 813 E HN 0.540 nan 8.360 nan 0.000 0.451 814 T N 1.059 115.796 114.554 0.304 0.000 2.759 814 T HA -0.174 4.175 4.350 -0.003 0.000 0.269 814 T C 1.723 176.554 174.700 0.217 0.000 1.042 814 T CA 1.495 63.715 62.100 0.200 0.000 1.140 814 T CB -0.286 68.715 68.868 0.222 0.000 0.864 814 T HN 0.233 nan 8.240 nan 0.000 0.455 815 M N 0.200 120.080 119.600 0.468 0.000 2.159 815 M HA -0.170 4.308 4.480 -0.003 0.000 0.263 815 M C 1.968 178.423 176.300 0.257 0.000 1.063 815 M CA 1.842 57.418 55.300 0.460 0.000 1.110 815 M CB -0.344 32.572 32.600 0.528 0.000 1.374 815 M HN 0.297 nan 8.290 nan 0.000 0.411 816 H N -0.562 118.587 119.070 0.132 0.000 2.389 816 H HA -0.065 4.489 4.556 -0.003 0.000 0.299 816 H C 2.078 177.145 175.328 -0.435 0.000 1.081 816 H CA 1.819 57.880 56.048 0.023 0.000 1.345 816 H CB -0.500 29.400 29.762 0.230 0.000 1.393 816 H HN 0.196 nan 8.280 nan 0.000 0.520 817 V N 0.602 120.253 119.914 -0.439 0.000 2.216 817 V HA -0.255 3.863 4.120 -0.003 0.000 0.243 817 V C 2.489 178.411 176.094 -0.288 0.000 1.044 817 V CA 1.881 63.816 62.300 -0.608 0.000 0.995 817 V CB -0.834 30.804 31.823 -0.309 0.000 0.633 817 V HN 0.310 nan 8.190 nan 0.000 0.446 818 L N 0.351 121.444 121.223 -0.217 0.000 2.021 818 L HA -0.245 4.093 4.340 -0.003 0.000 0.215 818 L C 2.823 179.570 176.870 -0.206 0.000 1.074 818 L CA 2.215 56.929 54.840 -0.211 0.000 0.760 818 L CB -0.838 41.118 42.059 -0.171 0.000 0.889 818 L HN 0.388 nan 8.230 nan 0.000 0.433 819 R N 1.057 121.426 120.500 -0.218 0.000 2.115 819 R HA -0.116 4.222 4.340 -0.003 0.000 0.230 819 R C 2.039 178.160 176.300 -0.298 0.000 1.111 819 R CA 1.633 57.547 56.100 -0.310 0.000 0.976 819 R CB -0.372 29.454 30.300 -0.790 0.000 0.870 819 R HN 0.325 nan 8.270 nan 0.000 0.445 820 A N 1.368 124.084 122.820 -0.173 0.000 1.968 820 A HA -0.073 4.245 4.320 -0.003 0.000 0.217 820 A C 1.839 179.483 177.584 0.100 0.000 1.169 820 A CA 1.071 53.113 52.037 0.008 0.000 0.638 820 A CB -0.240 18.865 19.000 0.174 0.000 0.812 820 A HN 0.545 nan 8.150 nan 0.000 0.446 821 E N -0.195 119.985 120.200 -0.032 0.000 2.338 821 E HA -0.108 4.240 4.350 -0.003 0.000 0.197 821 E C 0.956 177.396 176.600 -0.268 0.000 1.007 821 E CA 0.691 56.924 56.400 -0.279 0.000 0.849 821 E CB 0.055 29.529 29.700 -0.377 0.000 0.774 821 E HN 0.305 nan 8.360 nan 0.000 0.506 822 K N -0.642 119.506 120.400 -0.420 0.000 2.358 822 K HA 0.123 4.441 4.320 -0.003 0.000 0.197 822 K C 1.005 177.226 176.600 -0.633 0.000 1.025 822 K CA 0.571 56.461 56.287 -0.662 0.000 1.104 822 K CB 1.211 32.939 32.500 -1.287 0.000 0.855 822 K HN 0.222 nan 8.250 nan 0.000 0.531 823 G N 1.759 110.339 108.800 -0.367 0.000 2.148 823 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.254 823 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.254 823 G C -0.079 174.766 174.900 -0.092 0.000 0.981 823 G CA -0.258 44.736 45.100 -0.178 0.000 0.670 823 G HN 0.140 nan 8.290 nan 0.000 0.528 824 F N 1.100 120.974 119.950 -0.126 0.000 2.529 824 F HA 0.478 5.004 4.527 -0.003 0.000 0.365 824 F C 1.512 177.280 175.800 -0.053 0.000 1.102 824 F CA -1.077 56.859 58.000 -0.106 0.000 1.271 824 F CB 0.300 39.083 39.000 -0.361 0.000 1.120 824 F HN 0.364 nan 8.300 nan 0.000 0.579 825 I N 1.784 122.524 120.570 0.283 0.000 2.677 825 I HA 0.583 4.751 4.170 -0.003 0.000 0.305 825 I C -0.662 175.620 176.117 0.275 0.000 0.988 825 I CA -0.555 60.857 61.300 0.186 0.000 1.260 825 I CB 1.404 39.508 38.000 0.175 0.000 1.410 825 I HN 0.359 nan 8.210 nan 0.000 0.523 826 I N 5.151 125.860 120.570 0.232 0.000 2.439 826 I HA 0.252 4.420 4.170 -0.003 0.000 0.283 826 I C -0.370 175.879 176.117 0.220 0.000 1.023 826 I CA -0.973 60.485 61.300 0.262 0.000 1.100 826 I CB 1.831 40.021 38.000 0.316 0.000 1.238 826 I HN 0.417 nan 8.210 nan 0.000 0.445 827 V N 6.102 126.107 119.914 0.150 0.000 2.644 827 V HA 0.123 4.241 4.120 -0.003 0.000 0.305 827 V C 1.388 177.561 176.094 0.130 0.000 1.053 827 V CA 1.587 63.955 62.300 0.113 0.000 1.186 827 V CB 0.277 32.117 31.823 0.028 0.000 0.895 827 V HN 1.168 nan 8.190 nan 0.000 0.490 828 G N 3.133 112.021 108.800 0.147 0.000 2.234 828 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.235 828 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.235 828 G C 0.764 175.787 174.900 0.204 0.000 0.997 828 G CA 0.778 45.969 45.100 0.152 0.000 0.623 828 G HN 0.677 nan 8.290 nan 0.000 0.514 829 Q N -0.717 119.236 119.800 0.255 0.000 2.606 829 Q HA 0.158 4.496 4.340 -0.003 0.000 0.215 829 Q C 1.519 177.739 176.000 0.367 0.000 0.908 829 Q CA 0.468 56.455 55.803 0.308 0.000 0.908 829 Q CB 0.417 29.345 28.738 0.317 0.000 1.120 829 Q HN 0.382 nan 8.270 nan 0.000 0.628 830 D N 0.896 121.512 120.400 0.361 0.000 2.348 830 D HA -0.003 4.635 4.640 -0.003 0.000 0.211 830 D C 0.150 176.555 176.300 0.174 0.000 0.998 830 D CA 0.784 54.908 54.000 0.207 0.000 0.873 830 D CB 0.621 41.491 40.800 0.117 0.000 0.925 830 D HN 0.302 nan 8.370 nan 0.000 0.524 831 T N -0.613 114.071 114.554 0.217 0.000 2.876 831 T HA 0.418 4.767 4.350 -0.003 0.000 0.289 831 T C -0.478 174.358 174.700 0.228 0.000 1.014 831 T CA -0.878 61.343 62.100 0.201 0.000 0.986 831 T CB 2.291 71.252 68.868 0.155 0.000 1.021 831 T HN -0.200 nan 8.240 nan 0.000 0.458 832 D N -0.302 120.232 120.400 0.223 0.000 2.673 832 D HA 0.345 4.983 4.640 -0.003 0.000 0.278 832 D C 1.365 177.746 176.300 0.135 0.000 1.393 832 D CA -0.095 54.018 54.000 0.188 0.000 0.805 832 D CB -0.297 40.632 40.800 0.214 0.000 1.110 832 D HN 1.225 nan 8.370 nan 0.000 0.476 833 G N 0.450 109.328 108.800 0.130 0.000 2.179 833 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.260 833 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.260 833 G C 0.917 175.882 174.900 0.108 0.000 0.977 833 G CA 0.821 45.985 45.100 0.107 0.000 0.641 833 G HN 0.894 nan 8.290 nan 0.000 0.533 834 T N -2.966 111.664 114.554 0.128 0.000 3.111 834 T HA 0.563 4.911 4.350 -0.003 0.000 0.284 834 T C 0.243 175.027 174.700 0.140 0.000 0.983 834 T CA 0.574 62.749 62.100 0.126 0.000 0.900 834 T CB 0.887 69.828 68.868 0.123 0.000 1.132 834 T HN 0.739 nan 8.240 nan 0.000 0.531 835 V N 3.633 123.635 119.914 0.146 0.000 2.370 835 V HA 0.594 4.713 4.120 -0.003 0.000 0.283 835 V C 0.779 176.951 176.094 0.130 0.000 1.023 835 V CA -0.632 61.751 62.300 0.137 0.000 0.857 835 V CB 1.063 32.970 31.823 0.140 0.000 0.985 835 V HN 0.667 nan 8.190 nan 0.000 0.443 836 T N 2.803 117.423 114.554 0.110 0.000 2.881 836 T HA 0.405 4.753 4.350 -0.003 0.000 0.278 836 T C -1.886 172.830 174.700 0.026 0.000 0.982 836 T CA -2.011 60.153 62.100 0.107 0.000 0.989 836 T CB 1.744 70.641 68.868 0.049 0.000 1.058 836 T HN 0.354 nan 8.240 nan 0.000 0.529 837 P HA -0.089 nan 4.420 nan 0.000 0.218 837 P C 1.474 178.690 177.300 -0.140 0.000 1.148 837 P CA 1.109 64.169 63.100 -0.067 0.000 0.822 837 P CB 0.028 31.687 31.700 -0.068 0.000 0.784 838 Q N -0.625 119.048 119.800 -0.213 0.000 2.046 838 Q HA -0.144 4.194 4.340 -0.003 0.000 0.200 838 Q C 1.894 177.812 176.000 -0.137 0.000 0.975 838 Q CA 1.461 57.142 55.803 -0.204 0.000 0.836 838 Q CB -0.964 27.611 28.738 -0.271 0.000 0.896 838 Q HN 0.269 nan 8.270 nan 0.000 0.428 839 D N 0.606 120.964 120.400 -0.070 0.000 2.133 839 D HA -0.157 4.481 4.640 -0.003 0.000 0.195 839 D C 1.195 177.510 176.300 0.024 0.000 0.997 839 D CA 1.543 55.556 54.000 0.023 0.000 0.840 839 D CB -0.285 40.573 40.800 0.098 0.000 0.947 839 D HN 0.310 nan 8.370 nan 0.000 0.452 840 A N 0.021 122.852 122.820 0.018 0.000 2.261 840 A HA 0.372 4.690 4.320 -0.003 0.000 0.208 840 A C 1.592 179.198 177.584 0.036 0.000 1.223 840 A CA 0.883 52.944 52.037 0.039 0.000 0.833 840 A CB -0.636 18.400 19.000 0.060 0.000 0.830 840 A HN 0.261 nan 8.150 nan 0.000 0.483 841 G N -1.100 107.697 108.800 -0.004 0.000 2.221 841 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.265 841 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.265 841 G C 0.188 175.142 174.900 0.090 0.000 1.041 841 G CA 0.593 45.709 45.100 0.026 0.000 0.807 841 G HN 0.500 nan 8.290 nan 0.000 0.502 842 M N -0.250 119.317 119.600 -0.056 0.000 3.101 842 M HA 0.253 4.731 4.480 -0.003 0.000 0.307 842 M C 1.165 177.181 176.300 -0.473 0.000 1.315 842 M CA -0.202 54.888 55.300 -0.350 0.000 0.734 842 M CB 0.797 33.166 32.600 -0.386 0.000 1.392 842 M HN 0.322 nan 8.290 nan 0.000 0.496 843 E N 1.416 121.498 120.200 -0.197 0.000 2.274 843 E HA -0.132 4.216 4.350 -0.003 0.000 0.194 843 E C 1.658 178.213 176.600 -0.076 0.000 0.996 843 E CA 1.360 57.679 56.400 -0.136 0.000 0.840 843 E CB 0.243 29.914 29.700 -0.049 0.000 0.772 843 E HN 0.790 nan 8.360 nan 0.000 0.491 844 W N -0.464 120.845 121.300 0.015 0.000 2.425 844 W HA -0.046 4.612 4.660 -0.003 0.000 0.277 844 W C 1.518 178.056 176.519 0.031 0.000 1.231 844 W CA 0.257 57.616 57.345 0.023 0.000 1.248 844 W CB -0.876 28.597 29.460 0.021 0.000 1.117 844 W HN -0.068 nan 8.180 nan 0.000 0.568 845 V N 2.129 121.565 119.914 -0.798 0.000 3.217 845 V HA -0.045 4.073 4.120 -0.003 0.000 0.264 845 V C 0.796 176.709 176.094 -0.301 0.000 1.135 845 V CA 0.674 62.560 62.300 -0.689 0.000 1.142 845 V CB -0.502 30.690 31.823 -1.051 0.000 0.754 845 V HN -0.079 nan 8.190 nan 0.000 0.484 846 V N 1.675 121.486 119.914 -0.171 0.000 2.389 846 V HA 0.226 4.344 4.120 -0.003 0.000 0.264 846 V C 0.596 176.766 176.094 0.126 0.000 1.049 846 V CA 0.230 62.546 62.300 0.027 0.000 0.932 846 V CB 0.922 32.823 31.823 0.129 0.000 1.011 846 V HN 0.432 nan 8.190 nan 0.000 0.475 847 S N 4.829 120.626 115.700 0.161 0.000 2.533 847 S HA 0.159 4.627 4.470 -0.003 0.000 0.282 847 S C 0.903 175.658 174.600 0.259 0.000 1.304 847 S CA -0.327 57.990 58.200 0.196 0.000 1.063 847 S CB 0.231 63.541 63.200 0.183 0.000 0.881 847 S HN 0.893 nan 8.310 nan 0.000 0.493 848 K N 4.413 124.909 120.400 0.160 0.000 2.478 848 K HA 0.287 4.606 4.320 -0.003 0.000 0.205 848 K C 0.483 177.141 176.600 0.096 0.000 1.033 848 K CA -0.104 56.260 56.287 0.129 0.000 1.091 848 K CB 0.036 32.596 32.500 0.101 0.000 0.844 848 K HN 0.568 nan 8.250 nan 0.000 0.507 849 L N 0.575 121.858 121.223 0.101 0.000 2.717 849 L HA 0.206 4.544 4.340 -0.003 0.000 0.239 849 L C -0.141 176.773 176.870 0.073 0.000 1.086 849 L CA -0.159 54.725 54.840 0.073 0.000 0.897 849 L CB 0.384 42.479 42.059 0.060 0.000 1.214 849 L HN 0.127 nan 8.230 nan 0.000 0.508 850 K N -1.473 118.992 120.400 0.109 0.000 2.512 850 K HA 0.517 4.835 4.320 -0.003 0.000 0.263 850 K C -1.393 175.293 176.600 0.142 0.000 0.966 850 K CA -0.783 55.566 56.287 0.103 0.000 0.851 850 K CB 1.525 34.083 32.500 0.096 0.000 1.395 850 K HN -0.275 nan 8.250 nan 0.000 0.440 851 D N 0.173 120.608 120.400 0.058 0.000 2.253 851 D HA 0.629 5.267 4.640 -0.003 0.000 0.249 851 D C -1.060 175.259 176.300 0.033 0.000 1.049 851 D CA -0.313 53.653 54.000 -0.058 0.000 0.929 851 D CB 0.568 41.310 40.800 -0.098 0.000 1.176 851 D HN 0.470 nan 8.370 nan 0.000 0.437 852 F N -0.464 119.452 119.950 -0.056 0.000 2.713 852 F HA 0.450 4.975 4.527 -0.003 0.000 0.311 852 F C -1.138 174.594 175.800 -0.113 0.000 1.141 852 F CA -1.431 56.516 58.000 -0.089 0.000 0.939 852 F CB 0.363 39.324 39.000 -0.065 0.000 1.325 852 F HN 0.013 nan 8.300 nan 0.000 0.453 853 V N 2.511 122.465 119.914 0.066 0.000 2.509 853 V HA 0.359 4.477 4.120 -0.003 0.000 0.297 853 V C 1.041 177.163 176.094 0.046 0.000 1.014 853 V CA 1.745 64.022 62.300 -0.039 0.000 1.127 853 V CB -0.158 31.522 31.823 -0.238 0.000 0.925 853 V HN 1.545 nan 8.190 nan 0.000 0.480 854 G N 4.034 112.766 108.800 -0.114 0.000 2.259 854 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.217 854 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.217 854 G C 1.089 175.564 174.900 -0.708 0.000 1.001 854 G CA 0.413 45.377 45.100 -0.226 0.000 0.627 854 G HN 0.663 nan 8.290 nan 0.000 0.501 855 K N 0.642 120.478 120.400 -0.940 0.000 2.063 855 K HA -0.135 4.183 4.320 -0.003 0.000 0.208 855 K C 2.446 178.612 176.600 -0.723 0.000 1.048 855 K CA 1.915 57.460 56.287 -1.236 0.000 0.928 855 K CB -0.147 31.486 32.500 -1.446 0.000 0.713 855 K HN 0.289 nan 8.250 nan 0.000 0.442 856 R N 0.692 120.925 120.500 -0.446 0.000 2.139 856 R HA -0.066 4.273 4.340 -0.003 0.000 0.243 856 R C 1.765 177.973 176.300 -0.153 0.000 1.145 856 R CA 2.107 58.074 56.100 -0.221 0.000 0.976 856 R CB -0.545 29.672 30.300 -0.138 0.000 0.866 856 R HN 0.087 nan 8.270 nan 0.000 0.449 857 S N -0.232 115.338 115.700 -0.217 0.000 2.481 857 S HA 0.020 4.488 4.470 -0.003 0.000 0.231 857 S C 1.322 175.985 174.600 0.106 0.000 0.996 857 S CA 0.699 58.861 58.200 -0.062 0.000 0.942 857 S CB -0.263 62.907 63.200 -0.051 0.000 0.768 857 S HN 0.377 nan 8.310 nan 0.000 0.520 858 F N 1.985 121.940 119.950 0.008 0.000 2.494 858 F HA -0.088 4.437 4.527 -0.003 0.000 0.298 858 F C 2.468 178.279 175.800 0.018 0.000 1.106 858 F CA 0.492 58.504 58.000 0.021 0.000 1.452 858 F CB -0.140 38.871 39.000 0.018 0.000 1.085 858 F HN 0.305 nan 8.300 nan 0.000 0.569 859 S N -0.585 115.222 115.700 0.178 0.000 2.524 859 S HA 0.144 4.612 4.470 -0.003 0.000 0.215 859 S C 0.668 175.317 174.600 0.082 0.000 0.986 859 S CA -0.594 57.671 58.200 0.108 0.000 0.911 859 S CB -0.045 63.196 63.200 0.068 0.000 0.805 859 S HN 0.140 nan 8.310 nan 0.000 0.501 860 R N 1.771 122.323 120.500 0.087 0.000 2.784 860 R HA 0.160 4.499 4.340 -0.003 0.000 0.266 860 R C 1.472 177.813 176.300 0.067 0.000 1.044 860 R CA 0.249 56.389 56.100 0.067 0.000 1.151 860 R CB 0.320 30.660 30.300 0.067 0.000 1.037 860 R HN 0.440 nan 8.270 nan 0.000 0.478 861 E N 1.364 121.596 120.200 0.053 0.000 2.065 861 E HA -0.335 4.013 4.350 -0.003 0.000 0.201 861 E C 1.095 177.728 176.600 0.055 0.000 1.016 861 E CA 2.285 58.714 56.400 0.049 0.000 0.818 861 E CB 0.006 29.729 29.700 0.039 0.000 0.749 861 E HN 0.632 nan 8.360 nan 0.000 0.453 862 D N -0.328 120.108 120.400 0.059 0.000 2.144 862 D HA -0.121 4.517 4.640 -0.003 0.000 0.199 862 D C 1.729 178.075 176.300 0.078 0.000 0.984 862 D CA 1.173 55.211 54.000 0.064 0.000 0.834 862 D CB -0.039 40.799 40.800 0.064 0.000 0.955 862 D HN 0.172 nan 8.370 nan 0.000 0.465 863 N N -0.269 118.487 118.700 0.094 0.000 2.396 863 N HA -0.089 4.649 4.740 -0.003 0.000 0.180 863 N C 1.380 176.939 175.510 0.083 0.000 1.028 863 N CA 0.989 54.105 53.050 0.109 0.000 0.893 863 N CB 0.552 39.141 38.487 0.169 0.000 0.967 863 N HN 0.278 nan 8.380 nan 0.000 0.440 864 V N -1.437 118.521 119.914 0.073 0.000 3.444 864 V HA 0.275 4.393 4.120 -0.003 0.000 0.308 864 V C 0.690 176.818 176.094 0.056 0.000 1.371 864 V CA -0.372 61.964 62.300 0.060 0.000 1.141 864 V CB -0.377 31.480 31.823 0.056 0.000 1.037 864 V HN -0.001 nan 8.190 nan 0.000 0.433 865 R N 2.139 122.675 120.500 0.060 0.000 2.594 865 R HA 0.209 4.547 4.340 -0.003 0.000 0.272 865 R C 0.926 177.263 176.300 0.062 0.000 1.074 865 R CA 0.505 56.637 56.100 0.053 0.000 1.105 865 R CB 0.681 31.010 30.300 0.049 0.000 1.008 865 R HN 0.715 nan 8.270 nan 0.000 0.472 866 E N 1.063 121.294 120.200 0.051 0.000 2.403 866 E HA -0.035 4.313 4.350 -0.003 0.000 0.188 866 E C -0.294 176.325 176.600 0.032 0.000 1.056 866 E CA 0.108 56.543 56.400 0.058 0.000 0.892 866 E CB 0.152 29.880 29.700 0.046 0.000 1.049 866 E HN 0.579 nan 8.360 nan 0.000 0.465 867 D N 0.749 121.156 120.400 0.013 0.000 2.599 867 D HA 0.076 4.715 4.640 -0.003 0.000 0.249 867 D C 0.034 176.298 176.300 -0.060 0.000 1.313 867 D CA -0.526 53.451 54.000 -0.038 0.000 0.815 867 D CB 0.010 40.801 40.800 -0.014 0.000 1.077 867 D HN -0.042 nan 8.370 nan 0.000 0.492 868 R N 1.051 121.538 120.500 -0.021 0.000 2.694 868 R HA 0.208 4.547 4.340 -0.003 0.000 0.268 868 R C 0.461 176.702 176.300 -0.099 0.000 1.061 868 R CA -0.085 56.026 56.100 0.017 0.000 1.133 868 R CB 1.101 31.477 30.300 0.127 0.000 1.020 868 R HN -0.035 nan 8.270 nan 0.000 0.475 869 K N 3.098 123.500 120.400 0.004 0.000 2.383 869 K HA 0.067 4.385 4.320 -0.003 0.000 0.286 869 K C -0.301 176.371 176.600 0.120 0.000 1.051 869 K CA 0.221 56.504 56.287 -0.006 0.000 0.974 869 K CB 0.468 33.014 32.500 0.077 0.000 0.968 869 K HN 0.544 nan 8.250 nan 0.000 0.475 870 H N 1.356 120.438 119.070 0.020 0.000 2.479 870 H HA 0.241 4.795 4.556 -0.003 0.000 0.335 870 H C -0.273 175.050 175.328 -0.008 0.000 1.142 870 H CA -0.991 55.062 56.048 0.009 0.000 1.234 870 H CB 1.771 31.539 29.762 0.010 0.000 1.503 870 H HN 0.249 nan 8.280 nan 0.000 0.510 871 L N 4.706 125.999 121.223 0.117 0.000 2.325 871 L HA 0.244 4.582 4.340 -0.003 0.000 0.284 871 L C -0.449 176.445 176.870 0.040 0.000 1.089 871 L CA -0.257 54.606 54.840 0.038 0.000 0.836 871 L CB -0.127 41.947 42.059 0.026 0.000 1.184 871 L HN 0.474 nan 8.230 nan 0.000 0.444 872 V N 1.477 121.404 119.914 0.021 0.000 3.156 872 V HA 0.725 4.843 4.120 -0.003 0.000 0.310 872 V C -0.211 175.898 176.094 0.025 0.000 1.234 872 V CA -0.644 61.674 62.300 0.030 0.000 1.065 872 V CB 1.757 33.607 31.823 0.044 0.000 1.088 872 V HN 0.723 nan 8.190 nan 0.000 0.451 873 S N 0.303 116.032 115.700 0.047 0.000 2.690 873 S HA 0.920 5.388 4.470 -0.003 0.000 0.291 873 S C -0.335 174.310 174.600 0.075 0.000 1.138 873 S CA -0.063 58.191 58.200 0.090 0.000 1.013 873 S CB 1.463 64.746 63.200 0.137 0.000 1.053 873 S HN 2.269 nan 8.310 nan 0.000 0.539 874 V N -0.626 119.347 119.914 0.098 0.000 2.789 874 V HA 0.721 4.839 4.120 -0.003 0.000 0.311 874 V C -1.103 175.054 176.094 0.105 0.000 1.073 874 V CA -0.995 61.347 62.300 0.071 0.000 0.921 874 V CB 1.179 33.022 31.823 0.033 0.000 1.009 874 V HN 0.925 nan 8.190 nan 0.000 0.426 875 L N 4.005 125.276 121.223 0.080 0.000 2.377 875 L HA 0.541 4.879 4.340 -0.003 0.000 0.270 875 L C -2.675 174.230 176.870 0.059 0.000 0.991 875 L CA -1.626 53.266 54.840 0.088 0.000 0.851 875 L CB 2.361 44.465 42.059 0.074 0.000 1.218 875 L HN 0.430 nan 8.230 nan 0.000 0.420 876 P HA -0.039 nan 4.420 nan 0.000 0.264 876 P C 1.217 178.538 177.300 0.035 0.000 1.193 876 P CA -0.215 62.908 63.100 0.038 0.000 0.763 876 P CB 0.941 32.661 31.700 0.035 0.000 0.810 877 V N 0.605 120.535 119.914 0.027 0.000 2.380 877 V HA -0.198 3.920 4.120 -0.003 0.000 0.251 877 V C 0.918 177.025 176.094 0.022 0.000 1.063 877 V CA 1.807 64.121 62.300 0.023 0.000 1.055 877 V CB -1.087 30.746 31.823 0.018 0.000 0.657 877 V HN 0.400 nan 8.190 nan 0.000 0.455 878 D N 0.643 121.057 120.400 0.022 0.000 2.374 878 D HA 0.167 4.805 4.640 -0.003 0.000 0.240 878 D C 1.411 177.727 176.300 0.028 0.000 1.229 878 D CA 0.871 54.883 54.000 0.020 0.000 0.895 878 D CB 1.194 42.003 40.800 0.016 0.000 1.046 878 D HN 0.262 nan 8.370 nan 0.000 0.498 879 S N 2.521 118.239 115.700 0.029 0.000 2.441 879 S HA -0.174 4.294 4.470 -0.003 0.000 0.242 879 S C 1.470 176.097 174.600 0.044 0.000 1.018 879 S CA 1.553 59.776 58.200 0.039 0.000 0.988 879 S CB 0.133 63.352 63.200 0.032 0.000 0.778 879 S HN 0.431 nan 8.310 nan 0.000 0.498 880 S N 0.019 115.738 115.700 0.031 0.000 2.539 880 S HA 0.336 4.805 4.470 -0.003 0.000 0.221 880 S C -0.121 174.492 174.600 0.022 0.000 0.987 880 S CA -0.490 57.726 58.200 0.027 0.000 0.929 880 S CB 0.262 63.468 63.200 0.010 0.000 0.832 880 S HN 0.467 nan 8.310 nan 0.000 0.492 881 L N 3.512 124.748 121.223 0.022 0.000 2.385 881 L HA 0.353 4.692 4.340 -0.003 0.000 0.281 881 L C 0.156 177.033 176.870 0.012 0.000 1.106 881 L CA 0.020 54.868 54.840 0.014 0.000 0.856 881 L CB 0.081 42.148 42.059 0.013 0.000 1.186 881 L HN -0.037 nan 8.230 nan 0.000 0.453 882 R N 5.652 126.153 120.500 0.001 0.000 2.204 882 R HA 0.411 4.749 4.340 -0.003 0.000 0.341 882 R C -0.697 175.581 176.300 -0.036 0.000 1.035 882 R CA -0.619 55.470 56.100 -0.018 0.000 0.887 882 R CB 0.258 30.545 30.300 -0.021 0.000 1.114 882 R HN 0.753 nan 8.270 nan 0.000 0.473 883 L N 2.957 124.154 121.223 -0.043 0.000 2.499 883 L HA 0.121 4.459 4.340 -0.003 0.000 0.281 883 L C 0.677 177.513 176.870 -0.057 0.000 1.234 883 L CA -0.094 54.722 54.840 -0.039 0.000 0.839 883 L CB 0.454 42.493 42.059 -0.033 0.000 1.104 883 L HN 0.665 nan 8.230 nan 0.000 0.500 884 A N 2.170 124.973 122.820 -0.029 0.000 2.328 884 A HA 0.265 4.583 4.320 -0.003 0.000 0.284 884 A C -0.053 177.522 177.584 -0.016 0.000 1.160 884 A CA -0.568 51.453 52.037 -0.026 0.000 0.818 884 A CB 0.036 19.035 19.000 -0.001 0.000 1.087 884 A HN 0.750 nan 8.150 nan 0.000 0.504 885 E N 0.901 121.077 120.200 -0.040 0.000 2.417 885 E HA 0.346 4.694 4.350 -0.003 0.000 0.261 885 E C 1.038 177.702 176.600 0.107 0.000 1.000 885 E CA 1.027 57.425 56.400 -0.004 0.000 0.919 885 E CB 0.361 30.020 29.700 -0.069 0.000 0.955 885 E HN 1.197 nan 8.360 nan 0.000 0.455 886 G N 2.208 111.157 108.800 0.249 0.000 2.201 886 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.212 886 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.212 886 G C 0.411 175.449 174.900 0.231 0.000 0.994 886 G CA -0.272 45.016 45.100 0.313 0.000 0.644 886 G HN 0.800 nan 8.290 nan 0.000 0.508 887 A N 0.461 123.380 122.820 0.166 0.000 2.540 887 A HA 0.677 4.995 4.320 -0.003 0.000 0.239 887 A C 0.972 178.655 177.584 0.165 0.000 1.061 887 A CA 1.254 53.361 52.037 0.117 0.000 0.758 887 A CB 0.302 19.342 19.000 0.067 0.000 0.991 887 A HN 2.098 nan 8.150 nan 0.000 0.502 888 A N 2.613 125.505 122.820 0.121 0.000 2.331 888 A HA 0.604 4.922 4.320 -0.003 0.000 0.283 888 A C -0.166 177.476 177.584 0.098 0.000 1.142 888 A CA -0.397 51.718 52.037 0.131 0.000 0.812 888 A CB 0.139 19.188 19.000 0.081 0.000 1.074 888 A HN 0.822 nan 8.150 nan 0.000 0.497 889 L N 3.313 124.599 121.223 0.105 0.000 2.296 889 L HA 0.587 4.925 4.340 -0.003 0.000 0.286 889 L C -0.177 176.727 176.870 0.057 0.000 1.023 889 L CA -0.816 54.065 54.840 0.068 0.000 0.812 889 L CB 1.517 43.612 42.059 0.059 0.000 1.223 889 L HN 0.626 nan 8.230 nan 0.000 0.421 890 V N 0.351 120.290 119.914 0.041 0.000 2.864 890 V HA 0.857 4.975 4.120 -0.003 0.000 0.314 890 V C 0.306 176.416 176.094 0.026 0.000 1.073 890 V CA -0.979 61.341 62.300 0.033 0.000 0.956 890 V CB 1.623 33.464 31.823 0.029 0.000 1.023 890 V HN 0.792 nan 8.190 nan 0.000 0.435 891 A N 2.055 124.888 122.820 0.022 0.000 2.483 891 A HA 0.638 4.956 4.320 -0.003 0.000 0.238 891 A C 1.579 179.172 177.584 0.016 0.000 1.070 891 A CA 0.297 52.344 52.037 0.017 0.000 0.770 891 A CB 0.348 19.357 19.000 0.014 0.000 1.008 891 A HN 2.091 nan 8.150 nan 0.000 0.497 892 A N 1.307 124.135 122.820 0.014 0.000 2.019 892 A HA -0.102 4.216 4.320 -0.003 0.000 0.219 892 A C 1.319 178.909 177.584 0.011 0.000 1.164 892 A CA 1.774 53.818 52.037 0.013 0.000 0.644 892 A CB -0.308 18.699 19.000 0.012 0.000 0.805 892 A HN 0.882 nan 8.150 nan 0.000 0.449 893 D N -0.708 119.698 120.400 0.011 0.000 2.402 893 D HA 0.379 5.017 4.640 -0.003 0.000 0.216 893 D C 0.476 176.782 176.300 0.010 0.000 1.128 893 D CA 0.427 54.433 54.000 0.010 0.000 0.833 893 D CB -0.286 40.520 40.800 0.009 0.000 0.971 893 D HN 0.298 nan 8.370 nan 0.000 0.503 894 A N 0.872 123.699 122.820 0.011 0.000 2.425 894 A HA 0.482 4.800 4.320 -0.003 0.000 0.249 894 A C 0.404 177.995 177.584 0.011 0.000 1.084 894 A CA -0.344 51.700 52.037 0.012 0.000 0.781 894 A CB 0.701 19.709 19.000 0.014 0.000 1.019 894 A HN 0.338 nan 8.150 nan 0.000 0.490 895 V N -0.704 119.216 119.914 0.010 0.000 2.962 895 V HA 0.887 5.005 4.120 -0.003 0.000 0.313 895 V C 0.292 176.391 176.094 0.008 0.000 1.099 895 V CA -0.576 61.729 62.300 0.009 0.000 0.971 895 V CB 1.027 32.854 31.823 0.008 0.000 1.028 895 V HN 1.615 nan 8.190 nan 0.000 0.430 896 A N 2.238 125.063 122.820 0.008 0.000 2.332 896 A HA 0.753 5.072 4.320 -0.003 0.000 0.258 896 A C 0.406 177.994 177.584 0.006 0.000 1.087 896 A CA -0.199 51.843 52.037 0.007 0.000 0.802 896 A CB 0.487 19.491 19.000 0.006 0.000 1.042 896 A HN 1.260 nan 8.150 nan 0.000 0.489 897 S N 0.619 116.323 115.700 0.006 0.000 2.746 897 S HA 0.407 4.875 4.470 -0.003 0.000 0.273 897 S C -0.201 174.401 174.600 0.004 0.000 1.172 897 S CA -0.252 57.951 58.200 0.005 0.000 1.116 897 S CB 0.658 63.861 63.200 0.005 0.000 1.057 897 S HN 0.913 nan 8.310 nan 0.000 0.483 898 E N 1.733 121.935 120.200 0.003 0.000 2.389 898 E HA -0.260 4.088 4.350 -0.003 0.000 0.243 898 E C 0.904 177.505 176.600 0.002 0.000 1.154 898 E CA 0.744 57.145 56.400 0.003 0.000 0.723 898 E CB -1.327 28.375 29.700 0.002 0.000 1.261 898 E HN 1.340 nan 8.360 nan 0.000 0.390 899 G N -1.700 107.102 108.800 0.003 0.000 2.199 899 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.254 899 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.254 899 G C 0.206 175.107 174.900 0.003 0.000 0.982 899 G CA 0.158 45.259 45.100 0.002 0.000 0.632 899 G HN 0.603 nan 8.290 nan 0.000 0.529 900 V N 1.719 121.635 119.914 0.004 0.000 2.370 900 V HA 0.656 4.775 4.120 -0.003 0.000 0.283 900 V C 0.229 176.326 176.094 0.006 0.000 1.023 900 V CA -0.069 62.233 62.300 0.004 0.000 0.857 900 V CB 1.614 33.439 31.823 0.004 0.000 0.985 900 V HN 0.253 nan 8.190 nan 0.000 0.443 901 T N 6.757 121.315 114.554 0.008 0.000 2.770 901 T HA 0.465 4.813 4.350 -0.003 0.000 0.283 901 T C -2.424 172.284 174.700 0.014 0.000 0.988 901 T CA -1.044 61.063 62.100 0.011 0.000 0.957 901 T CB 1.615 70.490 68.868 0.012 0.000 0.930 901 T HN 0.456 nan 8.240 nan 0.000 0.443 902 P HA 0.232 nan 4.420 nan 0.000 0.266 902 P C -0.658 176.656 177.300 0.024 0.000 1.195 902 P CA 0.022 63.132 63.100 0.018 0.000 0.768 902 P CB 0.402 32.111 31.700 0.016 0.000 0.838 903 M N 2.157 121.776 119.600 0.031 0.000 2.456 903 M HA 0.196 4.675 4.480 -0.003 0.000 0.324 903 M C 0.932 177.262 176.300 0.051 0.000 1.124 903 M CA -0.525 54.802 55.300 0.045 0.000 0.959 903 M CB 2.226 34.860 32.600 0.056 0.000 1.692 903 M HN 0.256 nan 8.290 nan 0.000 0.444 904 E N 1.163 121.395 120.200 0.053 0.000 2.447 904 E HA 0.327 4.675 4.350 -0.003 0.000 0.195 904 E C 0.673 177.313 176.600 0.067 0.000 1.028 904 E CA 0.211 56.637 56.400 0.044 0.000 0.876 904 E CB 0.797 30.513 29.700 0.027 0.000 0.885 904 E HN 0.964 nan 8.360 nan 0.000 0.500 905 G N 0.391 109.262 108.800 0.118 0.000 2.345 905 G HA2 0.218 4.176 3.960 -0.003 0.000 0.285 905 G HA3 0.218 4.176 3.960 -0.003 0.000 0.285 905 G C -1.815 173.259 174.900 0.290 0.000 1.297 905 G CA -0.493 44.724 45.100 0.195 0.000 0.875 905 G HN 0.042 nan 8.290 nan 0.000 0.506 906 W N -0.624 120.691 121.300 0.025 0.000 3.062 906 W HA 0.709 5.367 4.660 -0.003 0.000 0.336 906 W C -1.122 175.417 176.519 0.032 0.000 1.224 906 W CA -1.420 55.939 57.345 0.024 0.000 1.159 906 W CB 0.859 30.332 29.460 0.023 0.000 1.454 906 W HN 0.640 nan 8.180 nan 0.000 0.569 907 V N 2.630 122.581 119.914 0.062 0.000 2.385 907 V HA 0.141 4.259 4.120 -0.003 0.000 0.269 907 V C 1.404 177.394 176.094 -0.173 0.000 1.043 907 V CA 0.656 62.891 62.300 -0.110 0.000 0.906 907 V CB 0.717 32.528 31.823 -0.021 0.000 0.995 907 V HN 0.745 nan 8.190 nan 0.000 0.467 908 T N 0.851 115.158 114.554 -0.411 0.000 2.976 908 T HA 0.086 4.434 4.350 -0.003 0.000 0.257 908 T C 0.643 175.335 174.700 -0.013 0.000 1.051 908 T CA 0.669 62.597 62.100 -0.288 0.000 1.141 908 T CB -0.003 68.717 68.868 -0.246 0.000 0.881 908 T HN 0.674 nan 8.240 nan 0.000 0.461 909 H N 0.308 119.279 119.070 -0.166 0.000 2.768 909 H HA 0.702 5.256 4.556 -0.003 0.000 0.371 909 H C -1.261 173.800 175.328 -0.445 0.000 1.151 909 H CA -0.994 54.918 56.048 -0.225 0.000 1.165 909 H CB 2.284 32.065 29.762 0.031 0.000 1.722 909 H HN 0.444 nan 8.280 nan 0.000 0.543 910 A N 2.740 125.107 122.820 -0.755 0.000 2.456 910 A HA 0.590 4.909 4.320 -0.003 0.000 0.288 910 A C -2.000 174.993 177.584 -0.985 0.000 1.042 910 A CA -0.527 51.093 52.037 -0.695 0.000 0.738 910 A CB 0.943 19.727 19.000 -0.360 0.000 1.266 910 A HN 0.569 nan 8.150 nan 0.000 0.407 911 Y N 0.090 120.176 120.300 -0.356 0.000 2.715 911 Y HA 0.527 5.075 4.550 -0.003 0.000 0.331 911 Y C 0.208 176.090 175.900 -0.031 0.000 1.197 911 Y CA -1.068 56.938 58.100 -0.156 0.000 1.079 911 Y CB 1.637 40.043 38.460 -0.090 0.000 1.298 911 Y HN 0.691 nan 8.280 nan 0.000 0.477 912 N N 0.511 119.365 118.700 0.258 0.000 2.501 912 N HA 0.267 5.006 4.740 -0.003 0.000 0.245 912 N C -1.351 174.317 175.510 0.263 0.000 0.974 912 N CA -0.064 53.134 53.050 0.247 0.000 0.941 912 N CB 0.715 39.335 38.487 0.221 0.000 1.122 912 N HN 0.541 nan 8.380 nan 0.000 0.507 913 S N 4.260 120.130 115.700 0.285 0.000 2.411 913 S HA 0.302 4.770 4.470 -0.003 0.000 0.294 913 S C -1.736 172.829 174.600 -0.059 0.000 1.115 913 S CA -1.685 56.573 58.200 0.096 0.000 1.071 913 S CB 1.083 64.298 63.200 0.025 0.000 0.967 913 S HN 0.520 nan 8.310 nan 0.000 0.488 914 P HA 0.052 nan 4.420 nan 0.000 0.219 914 P C 1.262 178.405 177.300 -0.260 0.000 1.150 914 P CA 0.838 63.711 63.100 -0.377 0.000 0.814 914 P CB 0.114 31.295 31.700 -0.864 0.000 0.787 915 A N -0.484 122.118 122.820 -0.363 0.000 1.898 915 A HA -0.107 4.211 4.320 -0.003 0.000 0.216 915 A C 2.040 179.473 177.584 -0.252 0.000 1.181 915 A CA 1.339 53.119 52.037 -0.429 0.000 0.620 915 A CB -1.543 16.884 19.000 -0.955 0.000 0.819 915 A HN 0.129 nan 8.150 nan 0.000 0.442 916 L N -1.184 119.897 121.223 -0.237 0.000 2.509 916 L HA 0.171 4.509 4.340 -0.003 0.000 0.222 916 L C 1.667 178.508 176.870 -0.049 0.000 1.123 916 L CA 0.474 55.237 54.840 -0.128 0.000 0.856 916 L CB -0.285 41.648 42.059 -0.209 0.000 0.985 916 L HN 0.569 nan 8.230 nan 0.000 0.456 917 G N 1.780 110.562 108.800 -0.031 0.000 2.225 917 G HA2 -0.305 3.654 3.960 -0.003 0.000 0.267 917 G HA3 -0.305 3.654 3.960 -0.003 0.000 0.267 917 G C 0.270 175.203 174.900 0.055 0.000 1.024 917 G CA 0.807 45.924 45.100 0.028 0.000 0.784 917 G HN 0.583 nan 8.290 nan 0.000 0.507 918 R N -2.309 118.234 120.500 0.072 0.000 2.741 918 R HA 0.625 4.964 4.340 -0.003 0.000 0.276 918 R C -0.100 176.299 176.300 0.166 0.000 1.028 918 R CA -0.251 55.908 56.100 0.098 0.000 0.865 918 R CB -0.083 30.260 30.300 0.071 0.000 1.268 918 R HN 0.576 nan 8.270 nan 0.000 0.475 919 T N -0.553 114.100 114.554 0.165 0.000 2.882 919 T HA 0.648 4.996 4.350 -0.003 0.000 0.287 919 T C 0.096 174.976 174.700 0.300 0.000 1.014 919 T CA -0.286 61.939 62.100 0.209 0.000 1.049 919 T CB 0.515 69.447 68.868 0.107 0.000 1.001 919 T HN 0.562 nan 8.240 nan 0.000 0.525 920 F N -1.846 118.139 119.950 0.059 0.000 2.877 920 F HA 0.798 5.323 4.527 -0.003 0.000 0.319 920 F C -0.661 175.181 175.800 0.070 0.000 1.174 920 F CA -0.829 57.203 58.000 0.053 0.000 0.903 920 F CB 1.052 40.081 39.000 0.049 0.000 1.357 920 F HN 1.030 nan 8.300 nan 0.000 0.472 921 G N 0.809 109.481 108.800 -0.213 0.000 2.547 921 G HA2 0.527 4.485 3.960 -0.003 0.000 0.291 921 G HA3 0.527 4.485 3.960 -0.003 0.000 0.291 921 G C -2.427 172.450 174.900 -0.038 0.000 1.471 921 G CA -1.079 43.815 45.100 -0.343 0.000 0.798 921 G HN 0.829 nan 8.290 nan 0.000 0.504 922 L N 0.201 121.402 121.223 -0.036 0.000 2.360 922 L HA 0.852 5.190 4.340 -0.003 0.000 0.271 922 L C 0.558 177.372 176.870 -0.094 0.000 1.057 922 L CA -0.733 54.099 54.840 -0.014 0.000 0.803 922 L CB 1.702 43.730 42.059 -0.052 0.000 1.207 922 L HN 0.904 nan 8.230 nan 0.000 0.445 923 A N 2.418 125.164 122.820 -0.124 0.000 2.612 923 A HA 0.705 5.023 4.320 -0.003 0.000 0.293 923 A C -1.465 175.991 177.584 -0.213 0.000 1.075 923 A CA -0.551 51.346 52.037 -0.233 0.000 0.680 923 A CB 1.385 20.297 19.000 -0.147 0.000 1.279 923 A HN 0.585 nan 8.150 nan 0.000 0.411 924 L N 2.712 123.736 121.223 -0.332 0.000 2.277 924 L HA 0.462 4.800 4.340 -0.003 0.000 0.284 924 L C -0.813 176.016 176.870 -0.068 0.000 1.028 924 L CA -0.471 54.269 54.840 -0.166 0.000 0.835 924 L CB 0.861 42.817 42.059 -0.172 0.000 1.215 924 L HN 0.477 nan 8.230 nan 0.000 0.425 925 I N 2.563 123.113 120.570 -0.032 0.000 2.460 925 I HA 0.235 4.403 4.170 -0.003 0.000 0.298 925 I C 1.263 177.326 176.117 -0.090 0.000 0.989 925 I CA -0.646 60.636 61.300 -0.030 0.000 1.173 925 I CB 1.639 39.625 38.000 -0.023 0.000 1.338 925 I HN 0.590 nan 8.210 nan 0.000 0.456 926 K N 2.400 122.756 120.400 -0.074 0.000 2.304 926 K HA -0.221 4.097 4.320 -0.003 0.000 0.204 926 K C 0.420 176.847 176.600 -0.289 0.000 1.044 926 K CA 1.627 57.840 56.287 -0.124 0.000 0.932 926 K CB 0.014 32.481 32.500 -0.056 0.000 0.735 926 K HN 0.520 nan 8.250 nan 0.000 0.468 927 N N -1.616 116.903 118.700 -0.302 0.000 2.393 927 N HA 0.052 4.790 4.740 -0.003 0.000 0.256 927 N C 0.580 176.017 175.510 -0.123 0.000 1.449 927 N CA 0.457 53.277 53.050 -0.385 0.000 0.887 927 N CB 0.199 38.597 38.487 -0.148 0.000 1.374 927 N HN 0.043 nan 8.380 nan 0.000 0.503 928 G N 1.060 109.812 108.800 -0.081 0.000 2.703 928 G HA2 -0.364 3.595 3.960 -0.003 0.000 0.222 928 G HA3 -0.364 3.595 3.960 -0.003 0.000 0.222 928 G C 1.455 176.431 174.900 0.127 0.000 1.183 928 G CA 0.981 46.115 45.100 0.056 0.000 0.775 928 G HN 0.424 nan 8.290 nan 0.000 0.615 929 R N 0.139 120.799 120.500 0.266 0.000 2.211 929 R HA -0.063 4.275 4.340 -0.003 0.000 0.240 929 R C 1.191 177.558 176.300 0.112 0.000 1.144 929 R CA 1.227 57.426 56.100 0.164 0.000 0.992 929 R CB -0.133 30.235 30.300 0.114 0.000 0.869 929 R HN 0.366 nan 8.270 nan 0.000 0.462 930 N N 0.025 118.799 118.700 0.123 0.000 2.214 930 N HA 0.067 4.805 4.740 -0.003 0.000 0.214 930 N C 0.145 175.683 175.510 0.046 0.000 1.132 930 N CA 0.188 53.282 53.050 0.073 0.000 0.856 930 N CB 0.885 39.419 38.487 0.079 0.000 1.020 930 N HN 0.159 nan 8.380 nan 0.000 0.509 931 R N 0.282 120.808 120.500 0.042 0.000 2.629 931 R HA 0.302 4.640 4.340 -0.003 0.000 0.408 931 R C -0.120 176.194 176.300 0.024 0.000 1.057 931 R CA -0.448 55.668 56.100 0.026 0.000 1.119 931 R CB 0.897 31.206 30.300 0.016 0.000 1.403 931 R HN -0.035 nan 8.270 nan 0.000 0.576 932 I N 1.375 121.961 120.570 0.027 0.000 2.821 932 I HA -0.064 4.104 4.170 -0.003 0.000 0.294 932 I C 1.520 177.646 176.117 0.015 0.000 1.210 932 I CA 1.510 62.822 61.300 0.021 0.000 1.430 932 I CB -0.163 37.847 38.000 0.017 0.000 1.356 932 I HN 0.668 nan 8.210 nan 0.000 0.563 933 G N 4.994 113.803 108.800 0.014 0.000 2.254 933 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.225 933 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.225 933 G C 0.406 175.313 174.900 0.013 0.000 1.003 933 G CA 0.137 45.244 45.100 0.012 0.000 0.622 933 G HN 0.626 nan 8.290 nan 0.000 0.507 934 E N 0.510 120.719 120.200 0.014 0.000 2.415 934 E HA 0.389 4.737 4.350 -0.003 0.000 0.262 934 E C -0.037 176.572 176.600 0.015 0.000 1.038 934 E CA -0.069 56.339 56.400 0.013 0.000 0.921 934 E CB 0.701 30.409 29.700 0.013 0.000 0.950 934 E HN 0.191 nan 8.360 nan 0.000 0.438 935 V N 6.022 125.944 119.914 0.014 0.000 2.370 935 V HA 0.299 4.417 4.120 -0.003 0.000 0.283 935 V C 0.199 176.302 176.094 0.016 0.000 1.023 935 V CA -0.448 61.861 62.300 0.015 0.000 0.857 935 V CB 0.899 32.730 31.823 0.014 0.000 0.985 935 V HN 0.565 nan 8.190 nan 0.000 0.443 936 L N 4.255 125.488 121.223 0.018 0.000 2.335 936 L HA 0.698 5.036 4.340 -0.003 0.000 0.268 936 L C -0.069 176.813 176.870 0.020 0.000 1.016 936 L CA -0.953 53.898 54.840 0.019 0.000 0.805 936 L CB 1.804 43.876 42.059 0.022 0.000 1.311 936 L HN 0.478 nan 8.230 nan 0.000 0.456 937 K N -0.168 120.245 120.400 0.022 0.000 2.375 937 K HA 0.678 4.996 4.320 -0.003 0.000 0.249 937 K C -1.412 175.203 176.600 0.025 0.000 0.942 937 K CA -0.666 55.634 56.287 0.021 0.000 0.806 937 K CB 2.411 34.922 32.500 0.018 0.000 1.227 937 K HN 0.529 nan 8.250 nan 0.000 0.430 938 T N 1.960 116.528 114.554 0.024 0.000 2.912 938 T HA 0.337 4.685 4.350 -0.003 0.000 0.299 938 T C -2.839 171.874 174.700 0.021 0.000 1.052 938 T CA -1.799 60.317 62.100 0.027 0.000 0.996 938 T CB 1.899 70.784 68.868 0.028 0.000 1.070 938 T HN 0.223 nan 8.240 nan 0.000 0.465 939 P HA 0.372 nan 4.420 nan 0.000 0.269 939 P C -1.155 176.154 177.300 0.015 0.000 1.252 939 P CA -0.238 62.872 63.100 0.017 0.000 0.780 939 P CB 0.323 32.033 31.700 0.017 0.000 0.829 940 V N 3.916 123.837 119.914 0.012 0.000 2.524 940 V HA 0.191 4.309 4.120 -0.003 0.000 0.297 940 V C -0.216 175.882 176.094 0.007 0.000 1.035 940 V CA -0.608 61.698 62.300 0.009 0.000 0.867 940 V CB 1.625 33.453 31.823 0.009 0.000 1.004 940 V HN 0.502 nan 8.190 nan 0.000 0.426 941 D N 4.033 124.437 120.400 0.006 0.000 2.723 941 D HA -0.177 4.462 4.640 -0.003 0.000 0.236 941 D C 1.332 177.635 176.300 0.005 0.000 1.138 941 D CA 2.056 56.059 54.000 0.005 0.000 0.676 941 D CB -1.144 39.658 40.800 0.004 0.000 1.069 941 D HN 1.532 nan 8.370 nan 0.000 0.430 942 G N -0.944 107.860 108.800 0.006 0.000 2.179 942 G HA2 -0.336 3.623 3.960 -0.003 0.000 0.260 942 G HA3 -0.336 3.623 3.960 -0.003 0.000 0.260 942 G C 0.179 175.083 174.900 0.007 0.000 0.977 942 G CA 0.646 45.749 45.100 0.006 0.000 0.641 942 G HN 0.541 nan 8.290 nan 0.000 0.533 943 Q N -0.872 118.932 119.800 0.007 0.000 2.389 943 Q HA 0.655 4.993 4.340 -0.003 0.000 0.277 943 Q C -0.232 175.774 176.000 0.010 0.000 1.082 943 Q CA -1.005 54.803 55.803 0.008 0.000 0.810 943 Q CB 2.073 30.815 28.738 0.007 0.000 1.374 943 Q HN 0.232 nan 8.270 nan 0.000 0.422 944 L N 2.053 123.282 121.223 0.010 0.000 2.361 944 L HA 0.315 4.653 4.340 -0.003 0.000 0.278 944 L C -0.481 176.397 176.870 0.012 0.000 1.113 944 L CA -0.443 54.404 54.840 0.012 0.000 0.849 944 L CB 0.414 42.481 42.059 0.013 0.000 1.155 944 L HN 0.283 nan 8.230 nan 0.000 0.452 945 V N 1.981 121.903 119.914 0.014 0.000 2.732 945 V HA 0.310 4.428 4.120 -0.003 0.000 0.310 945 V C -0.318 175.786 176.094 0.015 0.000 1.053 945 V CA -0.951 61.357 62.300 0.013 0.000 0.957 945 V CB 2.134 33.965 31.823 0.013 0.000 1.018 945 V HN 0.570 nan 8.190 nan 0.000 0.452 946 D N 2.207 122.616 120.400 0.015 0.000 2.304 946 D HA 0.516 5.154 4.640 -0.003 0.000 0.250 946 D C -0.268 176.043 176.300 0.019 0.000 1.107 946 D CA 0.151 54.160 54.000 0.017 0.000 0.885 946 D CB 1.754 42.563 40.800 0.015 0.000 1.192 946 D HN 0.533 nan 8.370 nan 0.000 0.436 947 V N -0.369 119.557 119.914 0.021 0.000 2.841 947 V HA 0.529 4.648 4.120 -0.003 0.000 0.310 947 V C -0.869 175.240 176.094 0.025 0.000 1.090 947 V CA -1.022 61.293 62.300 0.025 0.000 0.930 947 V CB 1.991 33.829 31.823 0.025 0.000 1.014 947 V HN 0.428 nan 8.190 nan 0.000 0.425 948 Q N 2.336 122.154 119.800 0.029 0.000 2.333 948 Q HA 0.621 4.959 4.340 -0.003 0.000 0.265 948 Q C -0.812 175.206 176.000 0.031 0.000 0.989 948 Q CA -0.692 55.127 55.803 0.027 0.000 0.842 948 Q CB 2.095 30.847 28.738 0.024 0.000 1.262 948 Q HN 1.121 nan 8.270 nan 0.000 0.451 949 V N 3.635 123.565 119.914 0.026 0.000 2.529 949 V HA 0.296 4.414 4.120 -0.003 0.000 0.292 949 V C -0.608 175.502 176.094 0.027 0.000 1.028 949 V CA 0.782 63.098 62.300 0.027 0.000 1.074 949 V CB 1.093 32.930 31.823 0.023 0.000 0.958 949 V HN 0.862 nan 8.190 nan 0.000 0.481 950 S N 3.844 119.564 115.700 0.032 0.000 2.900 950 S HA 0.495 4.963 4.470 -0.003 0.000 0.320 950 S C -0.874 173.739 174.600 0.020 0.000 1.130 950 S CA -0.830 57.384 58.200 0.024 0.000 0.863 950 S CB 1.397 64.611 63.200 0.024 0.000 1.295 950 S HN 0.905 nan 8.310 nan 0.000 0.596 951 D N 1.960 122.363 120.400 0.004 0.000 2.382 951 D HA 0.093 4.731 4.640 -0.003 0.000 0.245 951 D C 1.131 177.429 176.300 -0.004 0.000 1.120 951 D CA -0.201 53.796 54.000 -0.005 0.000 0.890 951 D CB 0.968 41.751 40.800 -0.027 0.000 1.201 951 D HN 0.313 nan 8.370 nan 0.000 0.433 952 L N 3.037 124.260 121.223 -0.001 0.000 2.043 952 L HA -0.159 4.179 4.340 -0.003 0.000 0.212 952 L C 0.521 177.369 176.870 -0.037 0.000 1.075 952 L CA 1.682 56.521 54.840 -0.001 0.000 0.752 952 L CB 0.094 42.159 42.059 0.008 0.000 0.891 952 L HN 0.224 nan 8.230 nan 0.000 0.432 953 V N 1.384 121.256 119.914 -0.071 0.000 2.334 953 V HA 0.119 4.237 4.120 -0.003 0.000 0.267 953 V C 1.104 177.122 176.094 -0.128 0.000 1.040 953 V CA -0.142 62.080 62.300 -0.129 0.000 0.866 953 V CB 0.988 32.719 31.823 -0.154 0.000 1.019 953 V HN 0.279 nan 8.190 nan 0.000 0.468 954 L N 3.670 124.805 121.223 -0.147 0.000 2.298 954 L HA 0.291 4.629 4.340 -0.003 0.000 0.209 954 L C 0.683 177.486 176.870 -0.111 0.000 1.084 954 L CA 0.799 55.550 54.840 -0.149 0.000 0.816 954 L CB 0.092 42.010 42.059 -0.234 0.000 0.967 954 L HN 0.496 nan 8.230 nan 0.000 0.460 955 F N 1.383 121.152 119.950 -0.303 0.000 2.415 955 F HA 0.246 4.771 4.527 -0.003 0.000 0.348 955 F C 0.423 176.079 175.800 -0.239 0.000 1.119 955 F CA -1.415 56.420 58.000 -0.274 0.000 1.069 955 F CB 0.495 39.309 39.000 -0.310 0.000 1.124 955 F HN 0.004 nan 8.300 nan 0.000 0.472 956 D N 6.385 126.221 120.400 -0.940 0.000 2.740 956 D HA -0.175 4.463 4.640 -0.003 0.000 0.231 956 D C -1.689 174.344 176.300 -0.445 0.000 1.194 956 D CA 0.677 54.209 54.000 -0.780 0.000 0.673 956 D CB 0.003 40.168 40.800 -1.058 0.000 0.995 956 D HN 0.408 nan 8.370 nan 0.000 0.411 957 P HA -0.179 nan 4.420 nan 0.000 0.221 957 P C 0.794 177.961 177.300 -0.222 0.000 1.145 957 P CA 1.030 63.987 63.100 -0.237 0.000 0.795 957 P CB 0.289 31.879 31.700 -0.183 0.000 0.775 958 E N -0.764 119.297 120.200 -0.231 0.000 2.489 958 E HA 0.133 4.481 4.350 -0.003 0.000 0.193 958 E C 1.433 177.900 176.600 -0.223 0.000 1.057 958 E CA 0.463 56.742 56.400 -0.202 0.000 0.866 958 E CB -0.831 28.761 29.700 -0.179 0.000 0.916 958 E HN 0.280 nan 8.360 nan 0.000 0.500 959 G N 2.446 111.086 108.800 -0.266 0.000 2.323 959 G HA2 -0.337 3.622 3.960 -0.003 0.000 0.292 959 G HA3 -0.337 3.622 3.960 -0.003 0.000 0.292 959 G C 0.974 175.719 174.900 -0.258 0.000 1.040 959 G CA 0.821 45.756 45.100 -0.276 0.000 0.942 959 G HN 0.375 nan 8.290 nan 0.000 0.506 960 S N -1.102 114.446 115.700 -0.253 0.000 2.522 960 S HA 0.053 4.521 4.470 -0.003 0.000 0.227 960 S C 1.837 176.321 174.600 -0.194 0.000 0.986 960 S CA 0.938 59.014 58.200 -0.206 0.000 0.929 960 S CB 0.028 63.113 63.200 -0.192 0.000 0.769 960 S HN 0.645 nan 8.310 nan 0.000 0.529 961 R N 0.457 120.827 120.500 -0.218 0.000 2.334 961 R HA 0.318 4.656 4.340 -0.003 0.000 0.216 961 R C 2.174 178.372 176.300 -0.170 0.000 0.905 961 R CA -0.201 55.799 56.100 -0.166 0.000 1.064 961 R CB -0.129 30.088 30.300 -0.138 0.000 1.046 961 R HN 0.393 nan 8.270 nan 0.000 0.508 962 R N 1.394 121.752 120.500 -0.236 0.000 2.113 962 R HA -0.123 4.215 4.340 -0.003 0.000 0.244 962 R C 0.020 176.164 176.300 -0.261 0.000 1.142 962 R CA 1.672 57.576 56.100 -0.327 0.000 0.953 962 R CB 0.101 30.097 30.300 -0.507 0.000 0.860 962 R HN 0.145 nan 8.270 nan 0.000 0.438 963 D N 0.000 120.286 120.400 -0.190 0.000 6.856 963 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 963 D CA 0.000 53.931 54.000 -0.115 0.000 0.868 963 D CB 0.000 40.752 40.800 -0.080 0.000 0.688 963 D HN 0.000 nan 8.370 nan 0.000 0.683