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 2yvj_1_A DATA FIRST_RESID 5 DATA SEQUENCE ALKAPVVVLG AGLASVSFVA ELRQAGYQGL ITVVGDEAER PYDRPPLSKD DATA SEQUENCE FMAHGDAEKI RLDCKRAPEV EWLLGVTAQS FDPQAHTVAL SDGRTLPYGT DATA SEQUENCE LVLATGAAPR ALPTLQGATM PVHTLRTLED ARRIQAGLRP QSRLLIVGGG DATA SEQUENCE VIGLELAATA RTAGVHVSLV ETQPRLMSRA APATLADFVA RYHAAQGVDL DATA SEQUENCE RFERSVTGSV DGVVLLDDGT RIAADMVVVG IGVLANDALA RAAGLACDDG DATA SEQUENCE IFVDAYGRTT CPDVYALGDV TRQRNPLSGR FERIETWSNA QNQGIAVARH DATA SEQUENCE LVDPTAPGYA ELPWYWSDQG ALRIQVAGLA SGDEEIVRGE VSLDAPKFTL DATA SEQUENCE IELQKGRIVG ATCVNNARDF APLRRLLAVG AKPDRAALAD PATDLRKLAA DATA SEQUENCE AV 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.605 177.584 0.035 0.000 1.274 5 A CA 0.000 52.056 52.037 0.032 0.000 0.836 5 A CB 0.000 19.013 19.000 0.022 0.000 0.831 6 L N 2.811 124.009 121.223 -0.042 0.000 2.456 6 L HA 0.516 4.848 4.340 -0.013 0.000 0.277 6 L C -0.085 176.771 176.870 -0.023 0.000 1.124 6 L CA 0.842 55.627 54.840 -0.092 0.000 0.880 6 L CB -0.152 41.770 42.059 -0.229 0.000 1.192 6 L HN 0.502 nan 8.230 nan 0.000 0.463 7 K N 5.361 125.775 120.400 0.023 0.000 2.345 7 K HA 0.754 5.067 4.320 -0.013 0.000 0.255 7 K C -0.331 176.328 176.600 0.098 0.000 0.934 7 K CA -0.713 55.612 56.287 0.064 0.000 0.801 7 K CB 1.570 34.103 32.500 0.054 0.000 1.137 7 K HN 0.688 nan 8.250 nan 0.000 0.424 8 A N 3.814 126.723 122.820 0.148 0.000 2.507 8 A HA 0.263 4.575 4.320 -0.013 0.000 0.235 8 A C -2.132 175.514 177.584 0.103 0.000 1.070 8 A CA -0.676 51.459 52.037 0.163 0.000 0.768 8 A CB -0.584 18.509 19.000 0.154 0.000 1.011 8 A HN 0.461 nan 8.150 nan 0.000 0.502 9 P HA 0.434 nan 4.420 nan 0.000 0.279 9 P C -0.967 176.424 177.300 0.152 0.000 1.252 9 P CA -0.461 62.716 63.100 0.129 0.000 0.811 9 P CB 0.908 32.669 31.700 0.101 0.000 1.035 10 V N 2.078 122.072 119.914 0.134 0.000 2.394 10 V HA 0.336 4.448 4.120 -0.013 0.000 0.282 10 V C 0.052 176.176 176.094 0.049 0.000 1.031 10 V CA -0.459 61.890 62.300 0.082 0.000 0.881 10 V CB 1.686 33.528 31.823 0.031 0.000 0.982 10 V HN 0.237 nan 8.190 nan 0.000 0.451 11 V N 5.742 125.661 119.914 0.008 0.000 2.588 11 V HA 0.515 4.627 4.120 -0.013 0.000 0.304 11 V C -0.437 175.593 176.094 -0.106 0.000 1.042 11 V CA -0.511 61.764 62.300 -0.042 0.000 0.877 11 V CB 2.338 34.133 31.823 -0.048 0.000 0.996 11 V HN 0.620 nan 8.190 nan 0.000 0.425 12 V N 6.295 126.160 119.914 -0.082 0.000 2.459 12 V HA 0.524 4.636 4.120 -0.013 0.000 0.295 12 V C -0.319 175.715 176.094 -0.099 0.000 1.029 12 V CA -0.643 61.591 62.300 -0.109 0.000 0.874 12 V CB 1.756 33.555 31.823 -0.041 0.000 0.985 12 V HN 0.630 nan 8.190 nan 0.000 0.438 13 L N 4.432 125.573 121.223 -0.137 0.000 2.280 13 L HA 0.869 5.201 4.340 -0.013 0.000 0.287 13 L C 0.584 177.409 176.870 -0.075 0.000 1.023 13 L CA -0.249 54.536 54.840 -0.092 0.000 0.819 13 L CB 1.199 43.188 42.059 -0.117 0.000 1.212 13 L HN 0.966 nan 8.230 nan 0.000 0.420 14 G N 2.427 111.209 108.800 -0.030 0.000 3.233 14 G HA2 0.138 4.090 3.960 -0.013 0.000 0.686 14 G HA3 0.138 4.090 3.960 -0.013 0.000 0.686 14 G C -0.337 174.572 174.900 0.014 0.000 1.153 14 G CA -0.352 44.733 45.100 -0.025 0.000 0.853 14 G HN 0.860 nan 8.290 nan 0.000 0.582 15 A N 1.589 124.429 122.820 0.033 0.000 2.842 15 A HA 0.771 5.083 4.320 -0.013 0.000 0.298 15 A C 1.348 178.911 177.584 -0.036 0.000 1.293 15 A CA 1.115 53.204 52.037 0.087 0.000 0.959 15 A CB -0.239 18.835 19.000 0.124 0.000 1.119 15 A HN 2.064 nan 8.150 nan 0.000 0.564 16 G N -1.215 107.535 108.800 -0.083 0.000 2.531 16 G HA2 0.395 4.347 3.960 -0.013 0.000 0.281 16 G HA3 0.395 4.347 3.960 -0.013 0.000 0.281 16 G C 0.877 175.698 174.900 -0.132 0.000 1.382 16 G CA -0.145 44.855 45.100 -0.165 0.000 1.045 16 G HN 0.429 nan 8.290 nan 0.000 0.533 17 L N 0.243 121.359 121.223 -0.179 0.000 2.081 17 L HA -0.076 4.256 4.340 -0.013 0.000 0.212 17 L C 2.886 179.641 176.870 -0.192 0.000 1.080 17 L CA 2.860 57.577 54.840 -0.204 0.000 0.754 17 L CB -0.742 41.121 42.059 -0.326 0.000 0.893 17 L HN 0.516 nan 8.230 nan 0.000 0.433 18 A N -1.911 120.803 122.820 -0.177 0.000 1.930 18 A HA -0.154 4.158 4.320 -0.013 0.000 0.217 18 A C 2.438 179.998 177.584 -0.039 0.000 1.175 18 A CA 1.663 53.612 52.037 -0.147 0.000 0.627 18 A CB -0.955 17.942 19.000 -0.172 0.000 0.815 18 A HN 0.512 nan 8.150 nan 0.000 0.443 19 S N -0.469 115.222 115.700 -0.015 0.000 2.380 19 S HA -0.159 4.303 4.470 -0.013 0.000 0.217 19 S C 1.986 176.710 174.600 0.206 0.000 1.036 19 S CA 1.736 59.993 58.200 0.095 0.000 1.050 19 S CB -0.646 62.617 63.200 0.106 0.000 1.016 19 S HN 0.357 nan 8.310 nan 0.000 0.419 20 V N 1.910 121.940 119.914 0.194 0.000 2.236 20 V HA -0.279 3.833 4.120 -0.013 0.000 0.255 20 V C 2.472 178.636 176.094 0.116 0.000 1.068 20 V CA 2.549 64.973 62.300 0.206 0.000 1.044 20 V CB -1.347 30.536 31.823 0.100 0.000 0.653 20 V HN 0.563 nan 8.190 nan 0.000 0.448 21 S N -0.439 115.283 115.700 0.037 0.000 2.419 21 S HA -0.170 4.292 4.470 -0.013 0.000 0.233 21 S C 1.691 176.316 174.600 0.042 0.000 1.016 21 S CA 1.753 59.954 58.200 0.001 0.000 0.974 21 S CB -0.517 62.626 63.200 -0.095 0.000 0.786 21 S HN 0.601 nan 8.310 nan 0.000 0.492 22 F N 3.289 123.194 119.950 -0.075 0.000 2.128 22 F HA -0.073 4.444 4.527 -0.017 0.000 0.295 22 F C 2.199 177.956 175.800 -0.071 0.000 1.100 22 F CA 1.280 59.227 58.000 -0.088 0.000 1.260 22 F CB -0.493 38.444 39.000 -0.104 0.000 1.009 22 F HN 0.100 nan 8.300 nan 0.000 0.476 23 V N -0.934 118.872 119.914 -0.179 0.000 3.041 23 V HA 0.141 4.253 4.120 -0.013 0.000 0.260 23 V C 2.262 178.244 176.094 -0.186 0.000 1.105 23 V CA 1.173 63.288 62.300 -0.308 0.000 1.125 23 V CB -1.613 30.132 31.823 -0.131 0.000 0.730 23 V HN 0.342 nan 8.190 nan 0.000 0.479 24 A N 0.730 123.500 122.820 -0.084 0.000 1.969 24 A HA -0.129 4.183 4.320 -0.013 0.000 0.218 24 A C 2.139 179.678 177.584 -0.075 0.000 1.169 24 A CA 1.721 53.735 52.037 -0.037 0.000 0.635 24 A CB -0.488 18.521 19.000 0.015 0.000 0.810 24 A HN 0.593 nan 8.150 nan 0.000 0.445 25 E N -0.120 120.001 120.200 -0.131 0.000 2.358 25 E HA 0.028 4.370 4.350 -0.013 0.000 0.195 25 E C 1.679 178.171 176.600 -0.180 0.000 1.010 25 E CA 0.336 56.659 56.400 -0.128 0.000 0.856 25 E CB -0.300 29.328 29.700 -0.120 0.000 0.795 25 E HN 0.606 nan 8.360 nan 0.000 0.504 26 L N 0.004 121.059 121.223 -0.280 0.000 1.973 26 L HA -0.115 4.217 4.340 -0.013 0.000 0.208 26 L C 2.561 179.412 176.870 -0.031 0.000 1.073 26 L CA 1.329 56.013 54.840 -0.261 0.000 0.746 26 L CB -0.362 41.460 42.059 -0.396 0.000 0.891 26 L HN 0.150 nan 8.230 nan 0.000 0.433 27 R N 0.045 120.537 120.500 -0.013 0.000 2.062 27 R HA -0.113 4.220 4.340 -0.013 0.000 0.231 27 R C 1.443 177.742 176.300 -0.002 0.000 1.136 27 R CA 0.874 56.982 56.100 0.014 0.000 0.948 27 R CB -0.457 29.840 30.300 -0.006 0.000 0.845 27 R HN 0.479 nan 8.270 nan 0.000 0.430 28 Q N 0.208 119.999 119.800 -0.016 0.000 2.292 28 Q HA 0.193 4.525 4.340 -0.013 0.000 0.247 28 Q C 0.294 176.288 176.000 -0.010 0.000 0.911 28 Q CA 0.223 56.021 55.803 -0.008 0.000 0.948 28 Q CB 0.907 29.645 28.738 -0.001 0.000 1.093 28 Q HN 0.291 nan 8.270 nan 0.000 0.428 29 A N -1.045 121.769 122.820 -0.010 0.000 2.665 29 A HA 0.479 4.791 4.320 -0.013 0.000 0.268 29 A C 1.022 178.610 177.584 0.007 0.000 1.044 29 A CA 0.178 52.210 52.037 -0.009 0.000 0.993 29 A CB 0.413 19.396 19.000 -0.029 0.000 1.229 29 A HN 0.360 nan 8.150 nan 0.000 0.576 30 G N -0.790 108.017 108.800 0.012 0.000 2.137 30 G HA2 -0.298 3.654 3.960 -0.013 0.000 0.237 30 G HA3 -0.298 3.654 3.960 -0.013 0.000 0.237 30 G C -0.117 174.806 174.900 0.039 0.000 1.002 30 G CA 0.498 45.605 45.100 0.012 0.000 0.702 30 G HN 1.466 nan 8.290 nan 0.000 0.515 31 Y N 1.805 122.058 120.300 -0.078 0.000 2.594 31 Y HA 0.529 5.072 4.550 -0.012 0.000 0.342 31 Y C 0.890 176.742 175.900 -0.080 0.000 1.010 31 Y CA -0.784 57.266 58.100 -0.084 0.000 1.270 31 Y CB 0.809 39.201 38.460 -0.112 0.000 1.125 31 Y HN 0.304 nan 8.280 nan 0.000 0.513 32 Q N 4.652 124.188 119.800 -0.440 0.000 2.465 32 Q HA 0.362 4.694 4.340 -0.013 0.000 0.361 32 Q C 0.017 175.694 176.000 -0.538 0.000 0.957 32 Q CA -0.254 55.310 55.803 -0.398 0.000 1.065 32 Q CB 0.528 29.145 28.738 -0.202 0.000 1.274 32 Q HN 0.807 nan 8.270 nan 0.000 0.421 33 G N 0.835 108.994 108.800 -1.068 0.000 2.535 33 G HA2 0.484 4.436 3.960 -0.013 0.000 0.303 33 G HA3 0.484 4.436 3.960 -0.013 0.000 0.303 33 G C -0.476 174.194 174.900 -0.384 0.000 1.237 33 G CA -0.922 43.750 45.100 -0.714 0.000 0.986 33 G HN 0.309 nan 8.290 nan 0.000 0.494 34 L N -0.118 121.017 121.223 -0.146 0.000 2.455 34 L HA 0.354 4.686 4.340 -0.013 0.000 0.272 34 L C 0.162 177.055 176.870 0.038 0.000 1.174 34 L CA 0.698 55.509 54.840 -0.048 0.000 0.869 34 L CB 0.095 42.143 42.059 -0.019 0.000 1.130 34 L HN 0.217 nan 8.230 nan 0.000 0.474 35 I N 1.539 122.101 120.570 -0.013 0.000 2.582 35 I HA 0.518 4.680 4.170 -0.013 0.000 0.292 35 I C -0.334 175.709 176.117 -0.124 0.000 1.066 35 I CA -0.418 60.860 61.300 -0.036 0.000 1.053 35 I CB 2.214 40.173 38.000 -0.068 0.000 1.241 35 I HN 0.478 nan 8.210 nan 0.000 0.421 36 T N 4.671 119.159 114.554 -0.110 0.000 2.863 36 T HA 0.584 4.926 4.350 -0.013 0.000 0.285 36 T C -0.650 173.962 174.700 -0.147 0.000 1.009 36 T CA -0.518 61.502 62.100 -0.133 0.000 0.989 36 T CB 2.432 71.269 68.868 -0.051 0.000 1.004 36 T HN 0.247 nan 8.240 nan 0.000 0.455 37 V N 3.728 123.533 119.914 -0.182 0.000 2.443 37 V HA 0.456 4.568 4.120 -0.013 0.000 0.293 37 V C -0.374 175.751 176.094 0.051 0.000 1.021 37 V CA -0.738 61.507 62.300 -0.092 0.000 0.848 37 V CB 1.673 33.383 31.823 -0.190 0.000 0.998 37 V HN 0.741 nan 8.190 nan 0.000 0.424 38 V N 3.463 123.403 119.914 0.044 0.000 2.483 38 V HA 0.917 5.029 4.120 -0.013 0.000 0.295 38 V C 0.641 176.779 176.094 0.073 0.000 1.035 38 V CA -0.295 62.044 62.300 0.066 0.000 0.896 38 V CB 1.640 33.483 31.823 0.033 0.000 0.986 38 V HN 0.935 nan 8.190 nan 0.000 0.447 39 G N 1.873 110.725 108.800 0.086 0.000 2.662 39 G HA2 0.532 4.484 3.960 -0.013 0.000 0.302 39 G HA3 0.532 4.484 3.960 -0.013 0.000 0.302 39 G C -0.196 174.735 174.900 0.051 0.000 1.389 39 G CA -0.423 44.713 45.100 0.060 0.000 0.998 39 G HN 0.746 nan 8.290 nan 0.000 0.502 40 D N 0.358 120.780 120.400 0.036 0.000 2.349 40 D HA -0.010 4.622 4.640 -0.013 0.000 0.224 40 D C 0.332 176.657 176.300 0.042 0.000 1.029 40 D CA 0.323 54.345 54.000 0.037 0.000 0.879 40 D CB 0.399 41.216 40.800 0.028 0.000 0.906 40 D HN 0.397 nan 8.370 nan 0.000 0.528 41 E N 0.172 120.402 120.200 0.050 0.000 2.214 41 E HA 0.561 4.903 4.350 -0.013 0.000 0.274 41 E C -0.744 175.895 176.600 0.065 0.000 0.977 41 E CA -1.004 55.437 56.400 0.068 0.000 0.827 41 E CB 1.920 31.686 29.700 0.110 0.000 1.130 41 E HN 0.138 nan 8.360 nan 0.000 0.394 42 A N 2.978 125.833 122.820 0.059 0.000 2.322 42 A HA 0.445 4.757 4.320 -0.013 0.000 0.327 42 A C -0.196 177.414 177.584 0.042 0.000 1.394 42 A CA -0.229 51.836 52.037 0.046 0.000 0.921 42 A CB 0.455 19.477 19.000 0.036 0.000 1.153 42 A HN 0.597 nan 8.150 nan 0.000 0.523 43 E N 1.121 121.347 120.200 0.043 0.000 2.418 43 E HA 0.059 4.401 4.350 -0.013 0.000 0.283 43 E C -1.169 175.442 176.600 0.019 0.000 1.178 43 E CA -0.737 55.684 56.400 0.034 0.000 0.929 43 E CB 0.761 30.487 29.700 0.043 0.000 1.177 43 E HN 0.739 nan 8.360 nan 0.000 0.429 44 R N 1.816 122.301 120.500 -0.026 0.000 2.583 44 R HA 0.144 4.476 4.340 -0.013 0.000 0.274 44 R C -2.286 173.976 176.300 -0.064 0.000 0.998 44 R CA -0.610 55.421 56.100 -0.115 0.000 1.081 44 R CB -0.421 29.811 30.300 -0.114 0.000 0.940 44 R HN 0.105 nan 8.270 nan 0.000 0.413 45 P HA -0.059 nan 4.420 nan 0.000 0.264 45 P C -1.333 175.917 177.300 -0.083 0.000 1.193 45 P CA 0.358 63.350 63.100 -0.179 0.000 0.763 45 P CB 0.214 31.754 31.700 -0.266 0.000 0.810 46 Y N 0.143 120.400 120.300 -0.073 0.000 2.393 46 Y HA 0.588 5.131 4.550 -0.012 0.000 0.341 46 Y C 0.013 175.909 175.900 -0.008 0.000 0.988 46 Y CA -1.878 56.194 58.100 -0.046 0.000 1.078 46 Y CB 0.678 39.095 38.460 -0.072 0.000 1.203 46 Y HN 0.146 nan 8.280 nan 0.000 0.453 47 D N 2.188 122.684 120.400 0.161 0.000 2.488 47 D HA 0.082 4.714 4.640 -0.013 0.000 0.238 47 D C 0.685 177.118 176.300 0.222 0.000 1.138 47 D CA 0.380 54.491 54.000 0.185 0.000 0.873 47 D CB 0.974 41.929 40.800 0.257 0.000 1.183 47 D HN 0.800 nan 8.370 nan 0.000 0.458 48 R N 2.859 123.465 120.500 0.175 0.000 2.087 48 R HA 0.044 4.376 4.340 -0.013 0.000 0.216 48 R C -0.788 175.602 176.300 0.150 0.000 1.114 48 R CA 0.395 56.588 56.100 0.155 0.000 1.002 48 R CB -0.550 29.789 30.300 0.065 0.000 0.903 48 R HN 0.390 nan 8.270 nan 0.000 0.445 49 P HA -0.127 nan 4.420 nan 0.000 0.216 49 P C -1.627 175.787 177.300 0.191 0.000 1.154 49 P CA 1.712 64.912 63.100 0.167 0.000 0.865 49 P CB -0.676 31.190 31.700 0.277 0.000 0.789 50 P HA -0.085 nan 4.420 nan 0.000 0.228 50 P C 1.192 178.595 177.300 0.172 0.000 1.151 50 P CA 0.954 64.163 63.100 0.181 0.000 0.770 50 P CB -0.544 31.259 31.700 0.172 0.000 0.786 51 L N -1.576 119.717 121.223 0.118 0.000 2.141 51 L HA -0.108 4.224 4.340 -0.013 0.000 0.209 51 L C 2.273 179.226 176.870 0.140 0.000 1.094 51 L CA 1.331 56.221 54.840 0.084 0.000 0.763 51 L CB -0.782 41.267 42.059 -0.017 0.000 0.908 51 L HN -0.009 nan 8.230 nan 0.000 0.437 52 S N -0.916 114.853 115.700 0.116 0.000 2.527 52 S HA 0.013 4.475 4.470 -0.013 0.000 0.222 52 S C 1.349 176.018 174.600 0.114 0.000 0.985 52 S CA 0.892 59.152 58.200 0.100 0.000 0.921 52 S CB -0.039 63.207 63.200 0.076 0.000 0.772 52 S HN 0.447 nan 8.310 nan 0.000 0.529 53 K N 1.531 122.016 120.400 0.142 0.000 4.253 53 K HA 0.303 4.615 4.320 -0.013 0.000 0.209 53 K C 1.051 177.736 176.600 0.142 0.000 1.106 53 K CA 0.643 57.011 56.287 0.136 0.000 1.876 53 K CB -1.518 31.071 32.500 0.148 0.000 2.732 53 K HN 0.269 nan 8.250 nan 0.000 0.648 54 D N -0.104 120.404 120.400 0.180 0.000 2.339 54 D HA -0.296 4.336 4.640 -0.013 0.000 0.189 54 D C 1.502 177.891 176.300 0.148 0.000 1.022 54 D CA 2.143 56.287 54.000 0.239 0.000 0.884 54 D CB -0.717 40.276 40.800 0.322 0.000 0.916 54 D HN 0.394 nan 8.370 nan 0.000 0.453 55 F N 0.646 120.632 119.950 0.059 0.000 2.161 55 F HA -0.125 4.394 4.527 -0.013 0.000 0.300 55 F C 2.218 177.996 175.800 -0.036 0.000 1.089 55 F CA 1.323 59.337 58.000 0.024 0.000 1.282 55 F CB -0.166 38.843 39.000 0.014 0.000 1.010 55 F HN -0.101 nan 8.300 nan 0.000 0.485 56 M N -0.670 118.901 119.600 -0.049 0.000 2.549 56 M HA -0.015 4.457 4.480 -0.013 0.000 0.260 56 M C 1.980 178.122 176.300 -0.264 0.000 1.076 56 M CA 1.104 56.314 55.300 -0.151 0.000 1.090 56 M CB -1.990 30.574 32.600 -0.060 0.000 1.418 56 M HN 0.266 nan 8.290 nan 0.000 0.486 57 A N 0.639 123.244 122.820 -0.358 0.000 2.070 57 A HA 0.019 4.331 4.320 -0.013 0.000 0.221 57 A C 1.390 178.667 177.584 -0.512 0.000 1.603 57 A CA 0.287 51.998 52.037 -0.544 0.000 0.639 57 A CB -0.697 17.702 19.000 -1.001 0.000 1.235 57 A HN 0.600 nan 8.150 nan 0.000 0.518 58 H N -0.005 118.985 119.070 -0.134 0.000 2.605 58 H HA 0.321 4.869 4.556 -0.014 0.000 0.308 58 H C 1.067 176.274 175.328 -0.202 0.000 1.080 58 H CA -0.017 55.954 56.048 -0.127 0.000 1.119 58 H CB -1.055 28.669 29.762 -0.063 0.000 1.479 58 H HN 0.566 nan 8.280 nan 0.000 0.537 59 G N 2.333 110.922 108.800 -0.353 0.000 2.113 59 G HA2 -0.297 3.655 3.960 -0.013 0.000 0.259 59 G HA3 -0.297 3.655 3.960 -0.013 0.000 0.259 59 G C -0.220 174.460 174.900 -0.368 0.000 0.734 59 G CA 0.815 45.426 45.100 -0.815 0.000 0.919 59 G HN 0.509 nan 8.290 nan 0.000 0.431 60 D N -0.118 120.282 120.400 -0.000 0.000 2.359 60 D HA 0.549 5.181 4.640 -0.013 0.000 0.230 60 D C 1.071 177.591 176.300 0.366 0.000 1.118 60 D CA -0.037 54.065 54.000 0.171 0.000 0.844 60 D CB 0.853 41.719 40.800 0.110 0.000 1.059 60 D HN 0.100 nan 8.370 nan 0.000 0.493 61 A N 4.070 127.101 122.820 0.352 0.000 2.235 61 A HA -0.018 4.294 4.320 -0.013 0.000 0.208 61 A C 1.555 179.195 177.584 0.093 0.000 1.172 61 A CA 0.466 52.610 52.037 0.178 0.000 0.786 61 A CB -0.020 19.014 19.000 0.056 0.000 0.804 61 A HN 0.498 nan 8.150 nan 0.000 0.479 62 E N -0.313 119.947 120.200 0.101 0.000 2.474 62 E HA 0.087 4.429 4.350 -0.013 0.000 0.195 62 E C 0.882 177.518 176.600 0.061 0.000 1.039 62 E CA 0.420 56.857 56.400 0.063 0.000 0.881 62 E CB 0.259 29.987 29.700 0.047 0.000 0.970 62 E HN 0.642 nan 8.360 nan 0.000 0.486 63 K N -0.075 120.374 120.400 0.082 0.000 2.380 63 K HA 0.187 4.499 4.320 -0.013 0.000 0.198 63 K C 1.572 178.223 176.600 0.085 0.000 1.070 63 K CA 0.063 56.391 56.287 0.068 0.000 1.040 63 K CB 0.711 33.244 32.500 0.055 0.000 0.903 63 K HN 0.025 nan 8.250 nan 0.000 0.549 64 I N -2.068 118.565 120.570 0.106 0.000 3.941 64 I HA 0.245 4.407 4.170 -0.013 0.000 0.335 64 I C -0.098 176.096 176.117 0.128 0.000 1.402 64 I CA -0.511 60.862 61.300 0.122 0.000 1.112 64 I CB 0.309 38.383 38.000 0.123 0.000 1.043 64 I HN -0.216 nan 8.210 nan 0.000 0.395 65 R N 2.269 122.828 120.500 0.098 0.000 2.351 65 R HA 0.301 4.633 4.340 -0.013 0.000 0.318 65 R C -0.457 175.884 176.300 0.068 0.000 1.055 65 R CA -0.370 55.780 56.100 0.084 0.000 0.968 65 R CB 0.579 30.905 30.300 0.044 0.000 0.974 65 R HN 0.436 nan 8.270 nan 0.000 0.439 66 L N 3.353 124.608 121.223 0.054 0.000 2.534 66 L HA -0.099 4.233 4.340 -0.013 0.000 0.271 66 L C 0.535 177.398 176.870 -0.011 0.000 1.178 66 L CA 0.468 55.323 54.840 0.025 0.000 0.907 66 L CB 0.250 42.291 42.059 -0.029 0.000 1.164 66 L HN 0.513 nan 8.230 nan 0.000 0.482 67 D N 3.604 124.017 120.400 0.022 0.000 2.479 67 D HA 0.122 4.754 4.640 -0.013 0.000 0.218 67 D C 0.239 176.549 176.300 0.017 0.000 1.131 67 D CA -0.666 53.339 54.000 0.008 0.000 0.916 67 D CB 0.390 41.209 40.800 0.030 0.000 1.022 67 D HN 0.499 nan 8.370 nan 0.000 0.515 68 C N 4.256 123.543 119.300 -0.023 0.000 3.479 68 C HA 0.205 4.658 4.460 -0.013 0.000 0.546 68 C C 1.732 176.788 174.990 0.110 0.000 1.207 68 C CA -0.848 58.200 59.018 0.051 0.000 1.334 68 C CB -1.445 26.256 27.740 -0.065 0.000 1.611 68 C HN 0.577 nan 8.230 nan 0.000 0.640 69 K N 1.340 121.787 120.400 0.078 0.000 2.186 69 K HA -0.024 4.288 4.320 -0.013 0.000 0.202 69 K C 1.842 178.491 176.600 0.081 0.000 1.052 69 K CA 0.776 57.108 56.287 0.074 0.000 0.965 69 K CB 0.096 32.627 32.500 0.050 0.000 0.746 69 K HN 0.612 nan 8.250 nan 0.000 0.457 70 R N -0.081 120.467 120.500 0.080 0.000 2.328 70 R HA 0.120 4.452 4.340 -0.013 0.000 0.200 70 R C 0.340 176.684 176.300 0.074 0.000 0.983 70 R CA 0.319 56.459 56.100 0.066 0.000 1.062 70 R CB 0.253 30.586 30.300 0.055 0.000 0.956 70 R HN -0.068 nan 8.270 nan 0.000 0.479 71 A N 2.620 125.515 122.820 0.124 0.000 2.786 71 A HA 0.374 4.687 4.320 -0.013 0.000 0.346 71 A C -2.415 175.240 177.584 0.118 0.000 1.265 71 A CA -1.713 50.397 52.037 0.121 0.000 0.858 71 A CB 0.290 19.412 19.000 0.204 0.000 1.118 71 A HN -0.006 nan 8.150 nan 0.000 0.482 72 P HA 0.227 nan 4.420 nan 0.000 0.276 72 P C -0.075 177.229 177.300 0.006 0.000 1.244 72 P CA 0.215 63.343 63.100 0.047 0.000 0.801 72 P CB 0.752 32.466 31.700 0.022 0.000 1.006 73 E N -0.705 119.499 120.200 0.006 0.000 2.238 73 E HA -0.130 4.212 4.350 -0.013 0.000 0.219 73 E C -0.839 175.707 176.600 -0.089 0.000 1.275 73 E CA 0.481 56.861 56.400 -0.033 0.000 0.714 73 E CB -1.653 28.019 29.700 -0.046 0.000 1.154 73 E HN 0.187 nan 8.360 nan 0.000 0.363 74 V N 0.546 120.379 119.914 -0.134 0.000 2.612 74 V HA 0.292 4.404 4.120 -0.013 0.000 0.301 74 V C 0.739 176.593 176.094 -0.400 0.000 1.046 74 V CA -0.516 61.575 62.300 -0.349 0.000 0.946 74 V CB 1.887 33.328 31.823 -0.636 0.000 1.003 74 V HN 0.187 nan 8.190 nan 0.000 0.459 75 E N 2.623 122.575 120.200 -0.413 0.000 2.109 75 E HA 0.275 4.617 4.350 -0.013 0.000 0.278 75 E C -1.651 174.719 176.600 -0.384 0.000 0.954 75 E CA -0.524 55.715 56.400 -0.267 0.000 0.779 75 E CB 0.778 30.404 29.700 -0.122 0.000 1.093 75 E HN 0.609 nan 8.360 nan 0.000 0.401 76 W N 4.657 125.970 121.300 0.021 0.000 2.438 76 W HA 0.394 5.045 4.660 -0.015 0.000 0.324 76 W C -0.306 176.225 176.519 0.020 0.000 1.119 76 W CA -0.651 56.705 57.345 0.019 0.000 1.221 76 W CB 0.813 30.284 29.460 0.018 0.000 1.253 76 W HN 0.349 nan 8.180 nan 0.000 0.555 77 L N 5.153 126.516 121.223 0.232 0.000 2.457 77 L HA 0.362 4.694 4.340 -0.013 0.000 0.252 77 L C -0.495 176.459 176.870 0.141 0.000 1.132 77 L CA -0.431 54.498 54.840 0.148 0.000 0.938 77 L CB -0.233 41.881 42.059 0.090 0.000 1.246 77 L HN 0.294 nan 8.230 nan 0.000 0.476 78 L N 0.991 122.299 121.223 0.141 0.000 2.418 78 L HA 0.569 4.901 4.340 -0.013 0.000 0.265 78 L C 1.410 178.323 176.870 0.072 0.000 1.143 78 L CA -0.183 54.717 54.840 0.100 0.000 0.809 78 L CB 0.771 42.876 42.059 0.075 0.000 1.124 78 L HN 0.712 nan 8.230 nan 0.000 0.456 79 G N 1.633 110.468 108.800 0.060 0.000 2.162 79 G HA2 -0.223 3.729 3.960 -0.013 0.000 0.260 79 G HA3 -0.223 3.729 3.960 -0.013 0.000 0.260 79 G C -0.102 174.826 174.900 0.047 0.000 0.976 79 G CA 0.085 45.214 45.100 0.049 0.000 0.655 79 G HN 0.377 nan 8.290 nan 0.000 0.533 80 V N 1.108 121.053 119.914 0.053 0.000 2.448 80 V HA 0.638 4.750 4.120 -0.013 0.000 0.295 80 V C 0.519 176.640 176.094 0.045 0.000 1.025 80 V CA -0.280 62.049 62.300 0.049 0.000 0.859 80 V CB 1.810 33.666 31.823 0.054 0.000 0.988 80 V HN 0.256 nan 8.190 nan 0.000 0.431 81 T N 3.944 118.522 114.554 0.040 0.000 2.882 81 T HA 0.619 4.961 4.350 -0.013 0.000 0.287 81 T C 0.181 174.906 174.700 0.041 0.000 0.992 81 T CA -0.187 61.935 62.100 0.037 0.000 1.076 81 T CB 1.481 70.369 68.868 0.032 0.000 0.961 81 T HN 0.913 nan 8.240 nan 0.000 0.490 82 A N 2.642 125.488 122.820 0.043 0.000 2.249 82 A HA 0.440 4.752 4.320 -0.013 0.000 0.314 82 A C 0.790 178.412 177.584 0.064 0.000 1.290 82 A CA -0.568 51.504 52.037 0.058 0.000 0.893 82 A CB 0.677 19.711 19.000 0.057 0.000 1.165 82 A HN 0.850 nan 8.150 nan 0.000 0.530 83 Q N 0.953 120.791 119.800 0.063 0.000 2.302 83 Q HA 0.160 4.492 4.340 -0.013 0.000 0.202 83 Q C 0.418 176.447 176.000 0.048 0.000 0.936 83 Q CA 1.231 57.062 55.803 0.047 0.000 0.886 83 Q CB 0.411 29.171 28.738 0.036 0.000 0.986 83 Q HN 1.044 nan 8.270 nan 0.000 0.487 84 S N -1.206 114.544 115.700 0.084 0.000 2.680 84 S HA 0.490 4.952 4.470 -0.013 0.000 0.284 84 S C -1.375 173.332 174.600 0.179 0.000 1.055 84 S CA -1.186 57.052 58.200 0.063 0.000 0.849 84 S CB -0.135 63.056 63.200 -0.014 0.000 1.068 84 S HN 0.248 nan 8.310 nan 0.000 0.453 85 F N 0.233 120.197 119.950 0.023 0.000 2.593 85 F HA 0.882 5.401 4.527 -0.013 0.000 0.320 85 F C -0.754 175.078 175.800 0.053 0.000 1.060 85 F CA -0.799 57.235 58.000 0.056 0.000 0.940 85 F CB 1.361 40.393 39.000 0.053 0.000 1.268 85 F HN 0.561 nan 8.300 nan 0.000 0.475 86 D N 2.616 123.159 120.400 0.238 0.000 2.461 86 D HA 0.393 5.025 4.640 -0.013 0.000 0.240 86 D C -2.031 174.361 176.300 0.153 0.000 1.094 86 D CA -2.621 51.432 54.000 0.089 0.000 0.868 86 D CB 1.860 42.692 40.800 0.054 0.000 1.062 86 D HN 0.176 nan 8.370 nan 0.000 0.530 87 P HA -0.146 nan 4.420 nan 0.000 0.223 87 P C 0.960 178.144 177.300 -0.194 0.000 1.144 87 P CA 0.960 64.067 63.100 0.012 0.000 0.783 87 P CB 0.243 31.982 31.700 0.064 0.000 0.771 88 Q N -1.125 118.638 119.800 -0.062 0.000 2.378 88 Q HA 0.165 4.497 4.340 -0.013 0.000 0.216 88 Q C 1.565 177.607 176.000 0.069 0.000 0.892 88 Q CA 0.684 56.490 55.803 0.004 0.000 0.931 88 Q CB -0.089 28.655 28.738 0.010 0.000 1.086 88 Q HN 0.089 nan 8.270 nan 0.000 0.528 89 A N -0.171 122.676 122.820 0.045 0.000 2.140 89 A HA 0.134 4.446 4.320 -0.013 0.000 0.209 89 A C -0.365 177.265 177.584 0.076 0.000 1.181 89 A CA 0.418 52.494 52.037 0.066 0.000 0.824 89 A CB -0.217 18.810 19.000 0.045 0.000 0.879 89 A HN 0.609 nan 8.150 nan 0.000 0.480 90 H N -0.067 118.905 119.070 -0.163 0.000 2.819 90 H HA -0.100 4.448 4.556 -0.014 0.000 0.323 90 H C 0.098 175.197 175.328 -0.383 0.000 1.243 90 H CA 1.101 56.768 56.048 -0.635 0.000 1.163 90 H CB -1.762 27.542 29.762 -0.763 0.000 1.493 90 H HN 0.509 nan 8.280 nan 0.000 0.434 91 T N -1.083 113.554 114.554 0.137 0.000 2.864 91 T HA 0.717 5.059 4.350 -0.013 0.000 0.299 91 T C -1.035 173.888 174.700 0.371 0.000 1.166 91 T CA -0.315 61.942 62.100 0.261 0.000 1.007 91 T CB 1.653 70.604 68.868 0.138 0.000 1.219 91 T HN 0.143 nan 8.240 nan 0.000 0.506 92 V N 2.366 122.450 119.914 0.284 0.000 2.483 92 V HA 0.782 4.894 4.120 -0.013 0.000 0.297 92 V C 0.427 176.608 176.094 0.146 0.000 1.027 92 V CA -1.143 61.294 62.300 0.228 0.000 0.855 92 V CB 1.005 32.920 31.823 0.153 0.000 0.995 92 V HN 1.169 nan 8.190 nan 0.000 0.424 93 A N 5.657 128.551 122.820 0.124 0.000 2.362 93 A HA 0.724 5.036 4.320 -0.013 0.000 0.276 93 A C -0.538 177.090 177.584 0.073 0.000 1.153 93 A CA -0.097 51.990 52.037 0.083 0.000 0.813 93 A CB 0.159 19.197 19.000 0.063 0.000 1.081 93 A HN 0.626 nan 8.150 nan 0.000 0.507 94 L N 2.005 123.264 121.223 0.061 0.000 2.365 94 L HA 0.416 4.748 4.340 -0.013 0.000 0.267 94 L C 1.907 178.803 176.870 0.043 0.000 1.033 94 L CA 0.725 55.596 54.840 0.052 0.000 0.802 94 L CB 1.383 43.472 42.059 0.050 0.000 1.267 94 L HN 0.867 nan 8.230 nan 0.000 0.457 95 S N -0.616 115.108 115.700 0.040 0.000 2.447 95 S HA -0.116 4.346 4.470 -0.013 0.000 0.233 95 S C 0.759 175.378 174.600 0.032 0.000 1.006 95 S CA 0.950 59.170 58.200 0.033 0.000 0.957 95 S CB -0.442 62.777 63.200 0.032 0.000 0.773 95 S HN 0.730 nan 8.310 nan 0.000 0.507 96 D N -0.292 120.129 120.400 0.034 0.000 2.342 96 D HA 0.340 4.972 4.640 -0.013 0.000 0.221 96 D C 1.342 177.659 176.300 0.030 0.000 1.101 96 D CA 0.464 54.482 54.000 0.031 0.000 0.837 96 D CB -0.303 40.517 40.800 0.034 0.000 0.938 96 D HN 0.567 nan 8.370 nan 0.000 0.508 97 G N 0.382 109.201 108.800 0.031 0.000 2.218 97 G HA2 -0.269 3.683 3.960 -0.013 0.000 0.216 97 G HA3 -0.269 3.683 3.960 -0.013 0.000 0.216 97 G C 0.298 175.218 174.900 0.033 0.000 0.994 97 G CA -0.128 44.990 45.100 0.029 0.000 0.637 97 G HN 0.551 nan 8.290 nan 0.000 0.505 98 R N 1.165 121.687 120.500 0.037 0.000 2.490 98 R HA 0.529 4.862 4.340 -0.013 0.000 0.278 98 R C -0.730 175.599 176.300 0.049 0.000 1.069 98 R CA 0.227 56.351 56.100 0.040 0.000 1.080 98 R CB 0.411 30.735 30.300 0.039 0.000 1.030 98 R HN 0.087 nan 8.270 nan 0.000 0.491 99 T N 5.623 120.208 114.554 0.051 0.000 2.744 99 T HA 0.329 4.671 4.350 -0.013 0.000 0.291 99 T C -0.181 174.562 174.700 0.072 0.000 0.957 99 T CA -0.442 61.696 62.100 0.064 0.000 1.002 99 T CB 0.536 69.438 68.868 0.056 0.000 0.919 99 T HN 0.387 nan 8.240 nan 0.000 0.468 100 L N 6.462 127.744 121.223 0.097 0.000 2.276 100 L HA 0.387 4.719 4.340 -0.013 0.000 0.286 100 L C -2.279 174.687 176.870 0.159 0.000 1.024 100 L CA -2.320 52.585 54.840 0.109 0.000 0.826 100 L CB 1.066 43.186 42.059 0.101 0.000 1.211 100 L HN 0.309 nan 8.230 nan 0.000 0.422 101 P HA 0.162 nan 4.420 nan 0.000 0.272 101 P C -1.493 175.925 177.300 0.197 0.000 1.223 101 P CA 0.043 63.209 63.100 0.109 0.000 0.784 101 P CB 0.463 32.194 31.700 0.051 0.000 0.923 102 Y N -2.334 118.025 120.300 0.100 0.000 2.552 102 Y HA 0.685 5.227 4.550 -0.013 0.000 0.337 102 Y C 0.721 176.688 175.900 0.111 0.000 1.094 102 Y CA -1.047 57.109 58.100 0.094 0.000 1.028 102 Y CB 0.526 39.037 38.460 0.086 0.000 1.321 102 Y HN 0.386 nan 8.280 nan 0.000 0.456 103 G N 0.416 109.356 108.800 0.233 0.000 2.656 103 G HA2 0.307 4.259 3.960 -0.013 0.000 0.211 103 G HA3 0.307 4.259 3.960 -0.013 0.000 0.211 103 G C -0.340 174.778 174.900 0.363 0.000 1.137 103 G CA 0.443 45.641 45.100 0.164 0.000 0.802 103 G HN 0.610 nan 8.290 nan 0.000 0.527 104 T N 0.412 115.211 114.554 0.408 0.000 2.928 104 T HA 0.533 4.875 4.350 -0.013 0.000 0.296 104 T C -1.655 173.102 174.700 0.094 0.000 1.000 104 T CA -0.409 61.865 62.100 0.289 0.000 0.989 104 T CB 2.531 71.460 68.868 0.101 0.000 1.005 104 T HN 0.094 nan 8.240 nan 0.000 0.442 105 L N 3.943 125.081 121.223 -0.141 0.000 2.362 105 L HA 0.828 5.160 4.340 -0.013 0.000 0.275 105 L C -1.392 175.298 176.870 -0.301 0.000 0.998 105 L CA -0.632 53.889 54.840 -0.531 0.000 0.820 105 L CB 1.736 43.013 42.059 -1.303 0.000 1.270 105 L HN 0.503 nan 8.230 nan 0.000 0.415 106 V N 6.218 125.944 119.914 -0.314 0.000 2.407 106 V HA 0.426 4.538 4.120 -0.013 0.000 0.291 106 V C -0.169 175.731 176.094 -0.323 0.000 1.018 106 V CA -0.587 61.526 62.300 -0.311 0.000 0.842 106 V CB 1.441 32.964 31.823 -0.501 0.000 0.996 106 V HN 0.601 nan 8.190 nan 0.000 0.426 107 L N 4.279 125.336 121.223 -0.276 0.000 2.265 107 L HA 0.772 5.104 4.340 -0.013 0.000 0.288 107 L C 0.517 177.268 176.870 -0.199 0.000 1.058 107 L CA -0.230 54.473 54.840 -0.228 0.000 0.809 107 L CB 1.219 43.168 42.059 -0.182 0.000 1.179 107 L HN 0.758 nan 8.230 nan 0.000 0.429 108 A N 1.259 123.972 122.820 -0.178 0.000 3.415 108 A HA 0.324 4.636 4.320 -0.013 0.000 0.244 108 A C 0.680 178.193 177.584 -0.119 0.000 0.988 108 A CA -0.382 51.556 52.037 -0.166 0.000 0.991 108 A CB -0.050 18.828 19.000 -0.205 0.000 1.240 108 A HN 0.718 nan 8.150 nan 0.000 0.541 109 T N -2.308 112.188 114.554 -0.098 0.000 3.107 109 T HA 0.444 4.786 4.350 -0.013 0.000 0.249 109 T C 1.452 176.111 174.700 -0.069 0.000 1.096 109 T CA 0.832 62.891 62.100 -0.070 0.000 1.012 109 T CB -0.054 68.785 68.868 -0.049 0.000 0.977 109 T HN 1.928 nan 8.240 nan 0.000 0.527 110 G N 1.929 110.678 108.800 -0.086 0.000 2.574 110 G HA2 0.112 4.064 3.960 -0.013 0.000 0.286 110 G HA3 0.112 4.064 3.960 -0.013 0.000 0.286 110 G C -0.026 174.831 174.900 -0.073 0.000 1.212 110 G CA 0.034 45.082 45.100 -0.087 0.000 0.979 110 G HN 1.433 nan 8.290 nan 0.000 0.557 111 A N -1.246 121.535 122.820 -0.066 0.000 2.539 111 A HA 1.055 5.367 4.320 -0.013 0.000 0.296 111 A C 0.016 177.575 177.584 -0.043 0.000 1.073 111 A CA 0.574 52.577 52.037 -0.056 0.000 0.700 111 A CB 1.335 20.295 19.000 -0.066 0.000 1.296 111 A HN 2.598 nan 8.150 nan 0.000 0.405 112 A N 1.420 124.220 122.820 -0.033 0.000 2.354 112 A HA 0.979 5.291 4.320 -0.013 0.000 0.321 112 A C -2.950 174.622 177.584 -0.020 0.000 1.125 112 A CA -1.957 50.067 52.037 -0.022 0.000 0.799 112 A CB 1.262 20.253 19.000 -0.014 0.000 1.293 112 A HN 0.566 nan 8.150 nan 0.000 0.452 113 P HA 0.320 nan 4.420 nan 0.000 0.284 113 P C -1.095 176.201 177.300 -0.008 0.000 1.253 113 P CA -0.367 62.727 63.100 -0.011 0.000 0.800 113 P CB 0.815 32.514 31.700 -0.002 0.000 0.961 114 R N 2.252 122.746 120.500 -0.010 0.000 3.235 114 R HA 0.525 4.857 4.340 -0.013 0.000 0.232 114 R C 0.836 177.134 176.300 -0.005 0.000 1.475 114 R CA -0.597 55.498 56.100 -0.008 0.000 1.405 114 R CB -0.414 29.879 30.300 -0.010 0.000 1.266 114 R HN 0.440 nan 8.270 nan 0.000 0.650 115 A N 2.324 125.143 122.820 -0.003 0.000 2.611 115 A HA -0.092 4.220 4.320 -0.013 0.000 0.259 115 A C 0.154 177.736 177.584 -0.003 0.000 1.177 115 A CA 0.027 52.064 52.037 -0.001 0.000 0.906 115 A CB 0.125 19.124 19.000 -0.003 0.000 1.095 115 A HN 0.487 nan 8.150 nan 0.000 0.530 116 L N 1.088 122.309 121.223 -0.004 0.000 2.290 116 L HA 0.370 4.702 4.340 -0.013 0.000 0.284 116 L C -1.101 175.764 176.870 -0.007 0.000 1.078 116 L CA -1.452 53.385 54.840 -0.005 0.000 0.815 116 L CB 1.021 43.077 42.059 -0.005 0.000 1.162 116 L HN 0.546 nan 8.230 nan 0.000 0.435 117 P HA 0.055 nan 4.420 nan 0.000 0.245 117 P C 0.993 178.289 177.300 -0.006 0.000 1.203 117 P CA 0.424 63.521 63.100 -0.006 0.000 0.792 117 P CB 0.667 32.364 31.700 -0.005 0.000 0.997 118 T N 0.054 114.604 114.554 -0.006 0.000 3.054 118 T HA 0.138 4.481 4.350 -0.013 0.000 0.259 118 T C 1.021 175.717 174.700 -0.007 0.000 1.092 118 T CA 0.448 62.545 62.100 -0.005 0.000 1.121 118 T CB -0.091 68.775 68.868 -0.004 0.000 0.912 118 T HN -0.053 nan 8.240 nan 0.000 0.489 119 L N 2.309 123.527 121.223 -0.009 0.000 3.036 119 L HA 0.345 4.678 4.340 -0.013 0.000 0.237 119 L C 1.610 178.470 176.870 -0.016 0.000 1.319 119 L CA 0.406 55.239 54.840 -0.012 0.000 1.112 119 L CB -0.273 41.779 42.059 -0.012 0.000 1.480 119 L HN 0.272 nan 8.230 nan 0.000 0.506 120 Q N 1.483 121.275 119.800 -0.014 0.000 2.020 120 Q HA -0.066 4.266 4.340 -0.013 0.000 0.202 120 Q C 1.158 177.147 176.000 -0.018 0.000 0.982 120 Q CA 1.708 57.502 55.803 -0.014 0.000 0.838 120 Q CB 0.169 28.901 28.738 -0.011 0.000 0.899 120 Q HN 0.509 nan 8.270 nan 0.000 0.423 121 G N -0.490 108.300 108.800 -0.016 0.000 3.678 121 G HA2 0.636 4.588 3.960 -0.013 0.000 0.344 121 G HA3 0.636 4.588 3.960 -0.013 0.000 0.344 121 G C -1.363 173.526 174.900 -0.018 0.000 1.450 121 G CA -0.003 45.087 45.100 -0.017 0.000 1.078 121 G HN 0.358 nan 8.290 nan 0.000 0.474 122 A N 2.055 124.861 122.820 -0.023 0.000 2.260 122 A HA 0.605 4.917 4.320 -0.013 0.000 0.314 122 A C 1.416 178.986 177.584 -0.024 0.000 1.257 122 A CA -0.144 51.880 52.037 -0.022 0.000 0.871 122 A CB 0.634 19.619 19.000 -0.025 0.000 1.166 122 A HN 0.589 nan 8.150 nan 0.000 0.522 123 T N 1.330 115.874 114.554 -0.017 0.000 2.849 123 T HA -0.080 4.262 4.350 -0.013 0.000 0.270 123 T C 1.025 175.715 174.700 -0.017 0.000 1.066 123 T CA 1.429 63.520 62.100 -0.016 0.000 1.130 123 T CB -0.705 68.157 68.868 -0.011 0.000 0.864 123 T HN 0.713 nan 8.240 nan 0.000 0.481 124 M N 1.357 120.947 119.600 -0.016 0.000 2.342 124 M HA 0.489 4.961 4.480 -0.013 0.000 0.332 124 M C -2.898 173.382 176.300 -0.033 0.000 1.166 124 M CA -2.516 52.776 55.300 -0.014 0.000 1.086 124 M CB 0.285 32.883 32.600 -0.003 0.000 1.541 124 M HN -0.227 nan 8.290 nan 0.000 0.462 125 P HA 0.408 nan 4.420 nan 0.000 0.275 125 P C -1.043 176.182 177.300 -0.124 0.000 1.228 125 P CA -0.294 62.740 63.100 -0.110 0.000 0.786 125 P CB 1.259 32.927 31.700 -0.053 0.000 0.927 126 V N 3.337 123.067 119.914 -0.307 0.000 2.851 126 V HA 0.376 4.488 4.120 -0.013 0.000 0.307 126 V C -0.979 174.906 176.094 -0.348 0.000 1.129 126 V CA -0.591 61.604 62.300 -0.175 0.000 0.932 126 V CB 1.988 33.772 31.823 -0.066 0.000 1.024 126 V HN 0.689 nan 8.190 nan 0.000 0.426 127 H N 0.589 119.660 119.070 0.001 0.000 2.894 127 H HA 0.557 5.105 4.556 -0.013 0.000 0.367 127 H C 0.314 175.643 175.328 0.002 0.000 1.144 127 H CA -0.830 55.220 56.048 0.003 0.000 1.180 127 H CB 1.545 31.312 29.762 0.009 0.000 1.758 127 H HN 0.520 nan 8.280 nan 0.000 0.541 128 T N 0.667 115.293 114.554 0.120 0.000 3.107 128 T HA 0.089 4.431 4.350 -0.013 0.000 0.249 128 T C 0.191 174.921 174.700 0.051 0.000 1.096 128 T CA -0.500 61.638 62.100 0.064 0.000 1.012 128 T CB -0.064 68.825 68.868 0.034 0.000 0.977 128 T HN 0.436 nan 8.240 nan 0.000 0.527 129 L N 1.895 123.157 121.223 0.065 0.000 3.521 129 L HA -0.180 4.153 4.340 -0.013 0.000 0.653 129 L C 0.618 177.503 176.870 0.025 0.000 1.077 129 L CA 0.461 55.322 54.840 0.035 0.000 1.144 129 L CB -1.134 40.937 42.059 0.020 0.000 1.447 129 L HN 0.375 nan 8.230 nan 0.000 0.811 130 R N 0.026 120.544 120.500 0.030 0.000 2.526 130 R HA 0.234 4.566 4.340 -0.013 0.000 0.346 130 R C 0.284 176.623 176.300 0.065 0.000 0.926 130 R CA 0.803 56.921 56.100 0.031 0.000 1.147 130 R CB 0.807 31.118 30.300 0.019 0.000 1.629 130 R HN 0.752 nan 8.270 nan 0.000 0.516 131 T N -2.767 111.820 114.554 0.054 0.000 2.831 131 T HA 0.234 4.576 4.350 -0.013 0.000 0.287 131 T C 0.104 174.719 174.700 -0.142 0.000 1.070 131 T CA -0.748 61.395 62.100 0.072 0.000 1.010 131 T CB 1.290 70.207 68.868 0.083 0.000 1.264 131 T HN -0.145 nan 8.240 nan 0.000 0.532 132 L N 0.667 121.638 121.223 -0.421 0.000 2.682 132 L HA 0.383 4.715 4.340 -0.013 0.000 0.240 132 L C 1.440 178.115 176.870 -0.325 0.000 1.178 132 L CA 0.956 55.397 54.840 -0.665 0.000 0.970 132 L CB -1.558 39.787 42.059 -1.189 0.000 1.179 132 L HN 0.977 nan 8.230 nan 0.000 0.435 133 E N -1.672 118.435 120.200 -0.154 0.000 2.306 133 E HA -0.069 4.273 4.350 -0.013 0.000 0.201 133 E C 1.002 177.610 176.600 0.013 0.000 0.874 133 E CA 0.030 56.404 56.400 -0.044 0.000 0.972 133 E CB 0.553 30.245 29.700 -0.014 0.000 0.957 133 E HN 0.227 nan 8.360 nan 0.000 0.492 134 D N 0.869 121.276 120.400 0.011 0.000 2.123 134 D HA -0.016 4.616 4.640 -0.013 0.000 0.200 134 D C 1.759 178.077 176.300 0.031 0.000 0.976 134 D CA 1.181 55.214 54.000 0.054 0.000 0.831 134 D CB -0.195 40.640 40.800 0.058 0.000 0.974 134 D HN 0.260 nan 8.370 nan 0.000 0.469 135 A N 1.211 124.037 122.820 0.011 0.000 1.852 135 A HA -0.279 4.033 4.320 -0.013 0.000 0.217 135 A C 2.191 179.967 177.584 0.320 0.000 1.215 135 A CA 2.120 54.213 52.037 0.093 0.000 0.641 135 A CB -0.793 18.074 19.000 -0.222 0.000 0.838 135 A HN 0.136 nan 8.150 nan 0.000 0.450 136 R N -1.387 119.372 120.500 0.431 0.000 2.133 136 R HA -0.171 4.161 4.340 -0.013 0.000 0.247 136 R C 2.487 178.859 176.300 0.120 0.000 1.151 136 R CA 2.012 58.336 56.100 0.374 0.000 0.971 136 R CB -0.232 30.220 30.300 0.253 0.000 0.866 136 R HN 0.523 nan 8.270 nan 0.000 0.447 137 R N 0.227 120.775 120.500 0.081 0.000 2.055 137 R HA 0.043 4.375 4.340 -0.013 0.000 0.226 137 R C 2.119 178.366 176.300 -0.089 0.000 1.135 137 R CA 1.206 57.333 56.100 0.045 0.000 0.959 137 R CB -0.157 30.224 30.300 0.136 0.000 0.854 137 R HN 0.135 nan 8.270 nan 0.000 0.431 138 I N 0.610 121.028 120.570 -0.254 0.000 2.099 138 I HA -0.349 3.813 4.170 -0.013 0.000 0.239 138 I C 2.445 178.469 176.117 -0.155 0.000 1.066 138 I CA 1.719 62.800 61.300 -0.365 0.000 1.324 138 I CB -1.410 36.413 38.000 -0.296 0.000 1.037 138 I HN 0.387 nan 8.210 nan 0.000 0.401 139 Q N 1.842 121.592 119.800 -0.083 0.000 2.065 139 Q HA -0.282 4.050 4.340 -0.013 0.000 0.213 139 Q C 2.174 178.117 176.000 -0.095 0.000 1.012 139 Q CA 3.099 58.850 55.803 -0.087 0.000 0.876 139 Q CB -0.257 28.411 28.738 -0.118 0.000 0.954 139 Q HN 0.576 nan 8.270 nan 0.000 0.413 140 A N -0.342 122.432 122.820 -0.076 0.000 2.248 140 A HA 0.028 4.340 4.320 -0.013 0.000 0.210 140 A C 1.844 179.406 177.584 -0.037 0.000 1.174 140 A CA 1.123 53.126 52.037 -0.057 0.000 0.750 140 A CB -0.512 18.467 19.000 -0.035 0.000 0.780 140 A HN 0.631 nan 8.150 nan 0.000 0.478 141 G N -1.259 107.515 108.800 -0.044 0.000 2.887 141 G HA2 0.279 4.231 3.960 -0.013 0.000 0.211 141 G HA3 0.279 4.231 3.960 -0.013 0.000 0.211 141 G C 0.556 175.439 174.900 -0.028 0.000 1.152 141 G CA -0.256 44.832 45.100 -0.021 0.000 0.769 141 G HN 0.375 nan 8.290 nan 0.000 0.541 142 L N 2.826 124.019 121.223 -0.050 0.000 2.415 142 L HA 0.263 4.595 4.340 -0.013 0.000 0.269 142 L C 0.868 177.711 176.870 -0.046 0.000 1.244 142 L CA -0.502 54.307 54.840 -0.051 0.000 1.113 142 L CB -0.185 41.833 42.059 -0.068 0.000 1.352 142 L HN 0.301 nan 8.230 nan 0.000 0.433 143 R N 1.445 121.927 120.500 -0.030 0.000 2.573 143 R HA 0.526 4.858 4.340 -0.013 0.000 0.272 143 R C -2.212 174.070 176.300 -0.029 0.000 1.009 143 R CA -1.764 54.319 56.100 -0.027 0.000 1.059 143 R CB 0.104 30.396 30.300 -0.013 0.000 1.112 143 R HN -0.019 nan 8.270 nan 0.000 0.517 144 P HA -0.201 nan 4.420 nan 0.000 0.205 144 P C -0.031 177.253 177.300 -0.027 0.000 1.164 144 P CA 1.189 64.264 63.100 -0.042 0.000 0.938 144 P CB 0.068 31.750 31.700 -0.030 0.000 0.777 145 Q N 0.289 120.097 119.800 0.013 0.000 2.641 145 Q HA 0.275 4.607 4.340 -0.013 0.000 0.225 145 Q C -0.340 175.717 176.000 0.095 0.000 1.309 145 Q CA 0.006 55.855 55.803 0.077 0.000 0.935 145 Q CB -1.254 27.523 28.738 0.066 0.000 1.557 145 Q HN 0.239 nan 8.270 nan 0.000 0.563 146 S N 0.990 116.767 115.700 0.128 0.000 2.615 146 S HA 0.757 5.219 4.470 -0.013 0.000 0.269 146 S C -0.742 173.956 174.600 0.164 0.000 1.161 146 S CA -1.153 57.111 58.200 0.106 0.000 0.817 146 S CB 1.761 64.988 63.200 0.046 0.000 1.131 146 S HN 0.375 nan 8.310 nan 0.000 0.467 147 R N -0.314 120.243 120.500 0.096 0.000 2.668 147 R HA 0.873 5.205 4.340 -0.013 0.000 0.279 147 R C -1.335 174.995 176.300 0.050 0.000 0.976 147 R CA -0.739 55.411 56.100 0.083 0.000 0.978 147 R CB 1.588 31.910 30.300 0.036 0.000 1.133 147 R HN 0.748 nan 8.270 nan 0.000 0.484 148 L N 2.391 123.638 121.223 0.039 0.000 2.588 148 L HA 0.439 4.771 4.340 -0.013 0.000 0.263 148 L C -2.149 174.727 176.870 0.010 0.000 0.935 148 L CA -0.699 54.155 54.840 0.022 0.000 0.891 148 L CB 1.775 43.839 42.059 0.009 0.000 1.318 148 L HN 0.557 nan 8.230 nan 0.000 0.409 149 L N 5.922 127.150 121.223 0.008 0.000 2.276 149 L HA 0.652 4.984 4.340 -0.013 0.000 0.286 149 L C -1.048 175.819 176.870 -0.005 0.000 1.024 149 L CA 0.059 54.896 54.840 -0.005 0.000 0.826 149 L CB 0.956 43.013 42.059 -0.004 0.000 1.211 149 L HN 0.629 nan 8.230 nan 0.000 0.422 150 I N 5.414 125.970 120.570 -0.023 0.000 2.365 150 I HA 0.317 4.479 4.170 -0.013 0.000 0.291 150 I C -0.493 175.605 176.117 -0.033 0.000 1.004 150 I CA -0.757 60.528 61.300 -0.025 0.000 1.311 150 I CB 1.656 39.632 38.000 -0.041 0.000 1.401 150 I HN 0.275 nan 8.210 nan 0.000 0.491 151 V N 5.325 125.227 119.914 -0.019 0.000 2.311 151 V HA 0.799 4.911 4.120 -0.013 0.000 0.275 151 V C 0.377 176.460 176.094 -0.018 0.000 1.022 151 V CA -0.505 61.783 62.300 -0.020 0.000 0.830 151 V CB 0.312 32.130 31.823 -0.008 0.000 1.012 151 V HN 1.073 nan 8.190 nan 0.000 0.452 152 G N 3.239 112.024 108.800 -0.025 0.000 3.055 152 G HA2 0.290 4.242 3.960 -0.013 0.000 0.685 152 G HA3 0.290 4.242 3.960 -0.013 0.000 0.685 152 G C -0.020 174.868 174.900 -0.020 0.000 1.212 152 G CA -0.478 44.614 45.100 -0.014 0.000 0.822 152 G HN 1.206 nan 8.290 nan 0.000 0.610 153 G N 0.511 109.313 108.800 0.003 0.000 4.291 153 G HA2 0.696 4.648 3.960 -0.013 0.000 0.304 153 G HA3 0.696 4.648 3.960 -0.013 0.000 0.304 153 G C 0.776 175.710 174.900 0.058 0.000 1.264 153 G CA 0.927 46.038 45.100 0.018 0.000 1.039 153 G HN 1.286 nan 8.290 nan 0.000 0.578 154 G N -0.424 108.396 108.800 0.033 0.000 2.641 154 G HA2 0.355 4.307 3.960 -0.013 0.000 0.239 154 G HA3 0.355 4.307 3.960 -0.013 0.000 0.239 154 G C 1.178 176.101 174.900 0.038 0.000 1.402 154 G CA 0.261 45.383 45.100 0.037 0.000 1.046 154 G HN 0.147 nan 8.290 nan 0.000 0.565 155 V N 0.273 120.199 119.914 0.019 0.000 2.548 155 V HA -0.058 4.054 4.120 -0.013 0.000 0.249 155 V C 2.653 178.759 176.094 0.021 0.000 1.055 155 V CA 1.143 63.466 62.300 0.038 0.000 1.065 155 V CB -0.727 31.103 31.823 0.010 0.000 0.681 155 V HN 0.522 nan 8.190 nan 0.000 0.462 156 I N 1.328 121.895 120.570 -0.005 0.000 2.500 156 I HA -0.039 4.123 4.170 -0.013 0.000 0.252 156 I C 2.605 178.719 176.117 -0.006 0.000 1.142 156 I CA 1.418 62.716 61.300 -0.004 0.000 1.451 156 I CB -0.946 37.046 38.000 -0.013 0.000 1.093 156 I HN 0.406 nan 8.210 nan 0.000 0.430 157 G N 1.636 110.428 108.800 -0.013 0.000 2.421 157 G HA2 -0.157 3.795 3.960 -0.013 0.000 0.216 157 G HA3 -0.157 3.795 3.960 -0.013 0.000 0.216 157 G C 1.733 176.596 174.900 -0.061 0.000 1.171 157 G CA 0.413 45.492 45.100 -0.035 0.000 0.775 157 G HN 0.221 nan 8.290 nan 0.000 0.543 158 L N -0.193 121.003 121.223 -0.046 0.000 2.027 158 L HA -0.015 4.317 4.340 -0.013 0.000 0.206 158 L C 2.839 179.713 176.870 0.008 0.000 1.074 158 L CA 1.310 56.102 54.840 -0.080 0.000 0.745 158 L CB -0.505 41.601 42.059 0.078 0.000 0.898 158 L HN 0.255 nan 8.230 nan 0.000 0.433 159 E N -0.001 120.232 120.200 0.055 0.000 2.051 159 E HA -0.261 4.081 4.350 -0.013 0.000 0.192 159 E C 2.090 178.722 176.600 0.053 0.000 0.991 159 E CA 1.125 57.573 56.400 0.080 0.000 0.799 159 E CB -0.059 29.687 29.700 0.076 0.000 0.748 159 E HN 0.173 nan 8.360 nan 0.000 0.449 160 L N 0.538 121.774 121.223 0.022 0.000 2.141 160 L HA -0.059 4.273 4.340 -0.013 0.000 0.209 160 L C 2.031 178.895 176.870 -0.010 0.000 1.094 160 L CA 1.676 56.520 54.840 0.007 0.000 0.763 160 L CB -0.714 41.341 42.059 -0.005 0.000 0.908 160 L HN 0.060 nan 8.230 nan 0.000 0.437 161 A N -0.395 122.403 122.820 -0.036 0.000 1.865 161 A HA -0.181 4.131 4.320 -0.013 0.000 0.217 161 A C 2.501 180.077 177.584 -0.013 0.000 1.191 161 A CA 2.140 54.141 52.037 -0.060 0.000 0.623 161 A CB -1.272 17.635 19.000 -0.154 0.000 0.826 161 A HN 0.516 nan 8.150 nan 0.000 0.444 162 A N -0.702 122.142 122.820 0.041 0.000 1.881 162 A HA -0.271 4.041 4.320 -0.013 0.000 0.219 162 A C 2.535 180.158 177.584 0.066 0.000 1.215 162 A CA 3.379 55.488 52.037 0.119 0.000 0.648 162 A CB -1.654 17.469 19.000 0.205 0.000 0.832 162 A HN 0.948 nan 8.150 nan 0.000 0.455 163 T N -1.810 112.770 114.554 0.044 0.000 2.962 163 T HA 0.168 4.510 4.350 -0.013 0.000 0.270 163 T C 1.762 176.452 174.700 -0.017 0.000 1.088 163 T CA 1.648 63.755 62.100 0.012 0.000 1.127 163 T CB -0.449 68.423 68.868 0.007 0.000 0.883 163 T HN 0.671 nan 8.240 nan 0.000 0.493 164 A N 1.561 124.371 122.820 -0.018 0.000 2.015 164 A HA 0.033 4.345 4.320 -0.013 0.000 0.219 164 A C 2.543 180.098 177.584 -0.048 0.000 1.163 164 A CA 0.890 52.905 52.037 -0.036 0.000 0.646 164 A CB -0.462 18.517 19.000 -0.034 0.000 0.806 164 A HN 0.350 nan 8.150 nan 0.000 0.448 165 R N -0.494 119.985 120.500 -0.035 0.000 2.056 165 R HA -0.037 4.295 4.340 -0.013 0.000 0.227 165 R C 2.267 178.537 176.300 -0.050 0.000 1.149 165 R CA 1.842 57.914 56.100 -0.046 0.000 0.937 165 R CB -1.716 28.573 30.300 -0.018 0.000 0.835 165 R HN 0.501 nan 8.270 nan 0.000 0.430 166 T N 1.834 116.373 114.554 -0.024 0.000 2.714 166 T HA -0.235 4.107 4.350 -0.013 0.000 0.268 166 T C 1.813 176.483 174.700 -0.051 0.000 1.036 166 T CA 1.783 63.866 62.100 -0.028 0.000 1.148 166 T CB -0.351 68.510 68.868 -0.012 0.000 0.856 166 T HN 0.415 nan 8.240 nan 0.000 0.462 167 A N 0.620 123.404 122.820 -0.060 0.000 1.883 167 A HA 0.260 4.572 4.320 -0.013 0.000 0.217 167 A C 2.203 179.737 177.584 -0.082 0.000 1.186 167 A CA 1.938 53.932 52.037 -0.072 0.000 0.624 167 A CB -0.927 18.031 19.000 -0.069 0.000 0.822 167 A HN 1.065 nan 8.150 nan 0.000 0.444 168 G N -3.093 105.644 108.800 -0.105 0.000 2.151 168 G HA2 -0.021 3.931 3.960 -0.013 0.000 0.140 168 G HA3 -0.021 3.931 3.960 -0.013 0.000 0.140 168 G C -0.052 174.704 174.900 -0.240 0.000 1.020 168 G CA -0.081 44.926 45.100 -0.156 0.000 0.688 168 G HN 0.852 nan 8.290 nan 0.000 0.500 169 V N 1.597 121.406 119.914 -0.175 0.000 2.509 169 V HA 0.451 4.563 4.120 -0.013 0.000 0.284 169 V C 0.580 176.564 176.094 -0.183 0.000 1.047 169 V CA -0.829 61.380 62.300 -0.151 0.000 0.952 169 V CB 0.972 32.767 31.823 -0.047 0.000 0.988 169 V HN 0.396 nan 8.190 nan 0.000 0.469 170 H N 2.702 121.758 119.070 -0.023 0.000 3.157 170 H HA 0.357 4.905 4.556 -0.013 0.000 0.260 170 H C -0.189 175.121 175.328 -0.030 0.000 1.232 170 H CA -0.346 55.687 56.048 -0.025 0.000 1.488 170 H CB -0.166 29.582 29.762 -0.022 0.000 1.548 170 H HN 0.362 nan 8.280 nan 0.000 0.487 171 V N 3.038 122.976 119.914 0.039 0.000 2.481 171 V HA 0.365 4.477 4.120 -0.013 0.000 0.286 171 V C 0.472 176.558 176.094 -0.013 0.000 1.042 171 V CA -0.564 61.737 62.300 0.003 0.000 0.928 171 V CB 1.385 33.191 31.823 -0.029 0.000 0.986 171 V HN 0.897 nan 8.190 nan 0.000 0.462 172 S N 5.139 120.823 115.700 -0.026 0.000 2.599 172 S HA 0.892 5.354 4.470 -0.013 0.000 0.294 172 S C -1.119 173.437 174.600 -0.074 0.000 1.094 172 S CA -0.769 57.401 58.200 -0.050 0.000 0.931 172 S CB 2.065 65.243 63.200 -0.037 0.000 1.093 172 S HN 0.704 nan 8.310 nan 0.000 0.488 173 L N 2.242 123.399 121.223 -0.110 0.000 2.580 173 L HA 0.530 4.862 4.340 -0.013 0.000 0.266 173 L C -1.536 175.238 176.870 -0.159 0.000 0.955 173 L CA -0.711 54.050 54.840 -0.131 0.000 0.886 173 L CB 1.878 43.838 42.059 -0.166 0.000 1.263 173 L HN 0.723 nan 8.230 nan 0.000 0.406 174 V N 3.172 123.021 119.914 -0.108 0.000 2.470 174 V HA 0.334 4.446 4.120 -0.013 0.000 0.276 174 V C 0.002 176.043 176.094 -0.089 0.000 1.040 174 V CA -0.166 62.079 62.300 -0.091 0.000 1.008 174 V CB 1.098 32.892 31.823 -0.047 0.000 0.990 174 V HN 0.737 nan 8.190 nan 0.000 0.477 175 E N 3.099 123.244 120.200 -0.091 0.000 2.234 175 E HA 0.427 4.769 4.350 -0.013 0.000 0.266 175 E C 0.759 177.394 176.600 0.059 0.000 0.877 175 E CA -0.148 56.244 56.400 -0.014 0.000 0.758 175 E CB 2.068 31.752 29.700 -0.026 0.000 1.170 175 E HN 0.689 nan 8.360 nan 0.000 0.415 176 T N 1.218 115.809 114.554 0.061 0.000 2.978 176 T HA 0.054 4.396 4.350 -0.013 0.000 0.262 176 T C 0.792 175.544 174.700 0.088 0.000 1.063 176 T CA 0.268 62.405 62.100 0.062 0.000 1.140 176 T CB 0.011 68.903 68.868 0.040 0.000 0.886 176 T HN 0.337 nan 8.240 nan 0.000 0.470 177 Q N 1.700 121.565 119.800 0.109 0.000 2.354 177 Q HA 0.189 4.521 4.340 -0.013 0.000 0.244 177 Q C -1.745 174.356 176.000 0.168 0.000 0.969 177 Q CA -2.058 53.811 55.803 0.111 0.000 0.885 177 Q CB 1.231 30.027 28.738 0.097 0.000 1.241 177 Q HN 0.156 nan 8.270 nan 0.000 0.461 178 P HA -0.107 nan 4.420 nan 0.000 0.236 178 P C -0.376 176.803 177.300 -0.201 0.000 1.172 178 P CA 1.083 64.177 63.100 -0.010 0.000 0.759 178 P CB 0.297 31.975 31.700 -0.038 0.000 0.843 179 R N -1.721 118.754 120.500 -0.042 0.000 2.799 179 R HA 0.660 4.992 4.340 -0.013 0.000 0.270 179 R C -0.789 175.651 176.300 0.233 0.000 1.010 179 R CA -1.163 54.894 56.100 -0.072 0.000 0.916 179 R CB 0.817 31.099 30.300 -0.029 0.000 1.228 179 R HN -0.200 nan 8.270 nan 0.000 0.469 180 L N 1.286 122.688 121.223 0.299 0.000 2.387 180 L HA 0.454 4.786 4.340 -0.013 0.000 0.266 180 L C 0.442 177.423 176.870 0.186 0.000 1.059 180 L CA -0.993 54.026 54.840 0.299 0.000 0.801 180 L CB 0.723 42.988 42.059 0.343 0.000 1.223 180 L HN 0.754 nan 8.230 nan 0.000 0.456 181 M N 0.503 120.194 119.600 0.153 0.000 2.212 181 M HA -0.240 4.232 4.480 -0.013 0.000 0.193 181 M C 1.133 177.496 176.300 0.105 0.000 0.493 181 M CA 0.587 55.962 55.300 0.124 0.000 0.427 181 M CB -1.141 31.553 32.600 0.157 0.000 1.120 181 M HN 0.849 nan 8.290 nan 0.000 0.929 182 S N -0.752 114.999 115.700 0.086 0.000 2.383 182 S HA -0.144 4.318 4.470 -0.013 0.000 0.227 182 S C 1.512 176.145 174.600 0.056 0.000 1.026 182 S CA 1.150 59.391 58.200 0.069 0.000 0.981 182 S CB -0.201 63.034 63.200 0.059 0.000 0.818 182 S HN 0.779 nan 8.310 nan 0.000 0.472 183 R N 2.126 122.650 120.500 0.041 0.000 2.083 183 R HA -0.024 4.308 4.340 -0.013 0.000 0.237 183 R C 0.868 177.186 176.300 0.031 0.000 1.137 183 R CA 1.556 57.666 56.100 0.017 0.000 0.951 183 R CB -0.253 30.035 30.300 -0.019 0.000 0.851 183 R HN 0.493 nan 8.270 nan 0.000 0.434 184 A N -1.111 121.745 122.820 0.060 0.000 3.165 184 A HA 0.577 4.889 4.320 -0.013 0.000 0.212 184 A C -0.970 176.743 177.584 0.215 0.000 0.935 184 A CA -0.090 52.016 52.037 0.115 0.000 1.100 184 A CB 0.688 19.729 19.000 0.069 0.000 1.260 184 A HN 0.308 nan 8.150 nan 0.000 0.532 185 A N 0.711 123.634 122.820 0.170 0.000 2.386 185 A HA 0.886 5.198 4.320 -0.013 0.000 0.311 185 A C -3.111 174.549 177.584 0.126 0.000 1.068 185 A CA -1.707 50.432 52.037 0.170 0.000 0.743 185 A CB 0.891 19.999 19.000 0.180 0.000 1.258 185 A HN 0.171 nan 8.150 nan 0.000 0.429 186 P HA 0.201 nan 4.420 nan 0.000 0.269 186 P C 0.956 178.311 177.300 0.093 0.000 1.217 186 P CA 0.608 63.764 63.100 0.093 0.000 0.783 186 P CB 0.719 32.472 31.700 0.090 0.000 0.898 187 A N 1.849 124.713 122.820 0.073 0.000 1.898 187 A HA -0.140 4.172 4.320 -0.013 0.000 0.216 187 A C 2.016 179.647 177.584 0.078 0.000 1.181 187 A CA 2.151 54.227 52.037 0.066 0.000 0.620 187 A CB -1.879 17.146 19.000 0.041 0.000 0.819 187 A HN 0.559 nan 8.150 nan 0.000 0.442 188 T N 0.290 114.888 114.554 0.075 0.000 2.685 188 T HA -0.233 4.109 4.350 -0.013 0.000 0.268 188 T C 1.798 176.586 174.700 0.146 0.000 1.034 188 T CA 1.837 63.987 62.100 0.083 0.000 1.149 188 T CB -0.411 68.490 68.868 0.054 0.000 0.860 188 T HN 0.341 nan 8.240 nan 0.000 0.449 189 L N 0.957 122.278 121.223 0.164 0.000 2.072 189 L HA 0.194 4.526 4.340 -0.013 0.000 0.205 189 L C 2.639 179.670 176.870 0.267 0.000 1.079 189 L CA 1.723 56.703 54.840 0.235 0.000 0.752 189 L CB -0.999 41.169 42.059 0.181 0.000 0.906 189 L HN 0.219 nan 8.230 nan 0.000 0.436 190 A N -0.557 122.380 122.820 0.196 0.000 1.873 190 A HA -0.266 4.046 4.320 -0.013 0.000 0.218 190 A C 2.063 179.754 177.584 0.178 0.000 1.193 190 A CA 2.150 54.298 52.037 0.186 0.000 0.629 190 A CB -0.995 18.088 19.000 0.138 0.000 0.826 190 A HN 0.526 nan 8.150 nan 0.000 0.447 191 D N -1.413 119.066 120.400 0.131 0.000 2.144 191 D HA -0.112 4.520 4.640 -0.013 0.000 0.199 191 D C 1.603 177.985 176.300 0.137 0.000 0.984 191 D CA 1.149 55.205 54.000 0.092 0.000 0.834 191 D CB -0.391 40.437 40.800 0.047 0.000 0.955 191 D HN 0.463 nan 8.370 nan 0.000 0.465 192 F N 1.735 121.722 119.950 0.062 0.000 2.010 192 F HA -0.282 4.238 4.527 -0.012 0.000 0.296 192 F C 2.315 178.179 175.800 0.105 0.000 1.146 192 F CA 1.385 59.426 58.000 0.068 0.000 1.181 192 F CB -0.624 38.427 39.000 0.085 0.000 0.965 192 F HN -0.215 nan 8.300 nan 0.000 0.480 193 V N 0.998 121.057 119.914 0.241 0.000 2.317 193 V HA -0.410 3.703 4.120 -0.013 0.000 0.251 193 V C 2.737 178.846 176.094 0.025 0.000 1.065 193 V CA 2.097 64.458 62.300 0.102 0.000 1.049 193 V CB -1.852 30.107 31.823 0.227 0.000 0.651 193 V HN 0.598 nan 8.190 nan 0.000 0.450 194 A N -0.258 122.677 122.820 0.192 0.000 1.902 194 A HA -0.229 4.083 4.320 -0.013 0.000 0.217 194 A C 2.376 180.033 177.584 0.123 0.000 1.181 194 A CA 1.864 54.079 52.037 0.296 0.000 0.623 194 A CB -0.517 18.734 19.000 0.419 0.000 0.818 194 A HN 0.522 nan 8.150 nan 0.000 0.443 195 R N -2.155 118.338 120.500 -0.012 0.000 2.120 195 R HA -0.153 4.179 4.340 -0.013 0.000 0.234 195 R C 2.093 178.270 176.300 -0.204 0.000 1.123 195 R CA 1.506 57.544 56.100 -0.105 0.000 0.975 195 R CB -0.543 29.667 30.300 -0.151 0.000 0.866 195 R HN 0.737 nan 8.270 nan 0.000 0.446 196 Y N 1.236 121.257 120.300 -0.465 0.000 2.097 196 Y HA -0.305 4.238 4.550 -0.012 0.000 0.282 196 Y C 2.318 178.074 175.900 -0.240 0.000 1.152 196 Y CA 1.763 59.590 58.100 -0.455 0.000 1.136 196 Y CB -0.341 37.798 38.460 -0.536 0.000 0.975 196 Y HN 0.100 nan 8.280 nan 0.000 0.498 197 H N -0.333 118.691 119.070 -0.076 0.000 2.389 197 H HA -0.029 4.519 4.556 -0.014 0.000 0.299 197 H C 2.384 177.620 175.328 -0.152 0.000 1.081 197 H CA 1.164 57.143 56.048 -0.114 0.000 1.345 197 H CB -0.870 28.922 29.762 0.050 0.000 1.393 197 H HN 0.522 nan 8.280 nan 0.000 0.520 198 A N 1.368 124.196 122.820 0.014 0.000 1.883 198 A HA -0.075 4.237 4.320 -0.013 0.000 0.217 198 A C 2.325 179.862 177.584 -0.079 0.000 1.186 198 A CA 1.552 53.579 52.037 -0.017 0.000 0.624 198 A CB -0.828 18.175 19.000 0.005 0.000 0.822 198 A HN 0.384 nan 8.150 nan 0.000 0.444 199 A N -0.963 121.771 122.820 -0.143 0.000 2.176 199 A HA 0.177 4.489 4.320 -0.013 0.000 0.214 199 A C 1.328 178.792 177.584 -0.200 0.000 1.327 199 A CA 0.799 52.741 52.037 -0.158 0.000 1.015 199 A CB -0.359 18.539 19.000 -0.170 0.000 0.818 199 A HN 0.602 nan 8.150 nan 0.000 0.500 200 Q N -2.269 117.422 119.800 -0.182 0.000 2.167 200 Q HA 0.222 4.554 4.340 -0.013 0.000 0.251 200 Q C 0.909 176.856 176.000 -0.089 0.000 0.768 200 Q CA 0.739 56.440 55.803 -0.170 0.000 0.944 200 Q CB 0.743 29.332 28.738 -0.248 0.000 1.179 200 Q HN 1.118 nan 8.270 nan 0.000 0.478 201 G N 1.054 109.816 108.800 -0.064 0.000 2.148 201 G HA2 -0.134 3.818 3.960 -0.013 0.000 0.120 201 G HA3 -0.134 3.818 3.960 -0.013 0.000 0.120 201 G C -0.644 174.243 174.900 -0.023 0.000 1.034 201 G CA -0.026 45.053 45.100 -0.035 0.000 0.710 201 G HN 0.118 nan 8.290 nan 0.000 0.495 202 V N 1.218 121.116 119.914 -0.027 0.000 2.417 202 V HA 0.603 4.715 4.120 -0.013 0.000 0.291 202 V C -0.696 175.378 176.094 -0.033 0.000 1.024 202 V CA -0.524 61.758 62.300 -0.030 0.000 0.861 202 V CB 1.829 33.626 31.823 -0.043 0.000 0.985 202 V HN 0.336 nan 8.190 nan 0.000 0.436 203 D N 6.164 126.540 120.400 -0.040 0.000 2.380 203 D HA 0.305 4.938 4.640 -0.013 0.000 0.230 203 D C -0.472 175.771 176.300 -0.094 0.000 1.154 203 D CA 0.048 54.020 54.000 -0.047 0.000 0.859 203 D CB 0.509 41.292 40.800 -0.030 0.000 1.045 203 D HN 0.404 nan 8.370 nan 0.000 0.495 204 L N 4.632 125.781 121.223 -0.122 0.000 2.289 204 L HA 0.507 4.839 4.340 -0.013 0.000 0.285 204 L C 0.490 177.197 176.870 -0.272 0.000 1.049 204 L CA -0.794 53.883 54.840 -0.272 0.000 0.804 204 L CB 1.109 42.960 42.059 -0.346 0.000 1.195 204 L HN 0.227 nan 8.230 nan 0.000 0.428 205 R N 4.362 124.660 120.500 -0.338 0.000 2.494 205 R HA 0.346 4.678 4.340 -0.013 0.000 0.284 205 R C -0.930 175.253 176.300 -0.196 0.000 1.525 205 R CA -0.433 55.554 56.100 -0.188 0.000 1.460 205 R CB 0.205 30.447 30.300 -0.096 0.000 1.134 205 R HN 0.310 nan 8.270 nan 0.000 0.592 206 F N 1.865 121.823 119.950 0.014 0.000 2.440 206 F HA 0.035 4.554 4.527 -0.014 0.000 0.323 206 F C 1.515 177.323 175.800 0.013 0.000 1.192 206 F CA 0.196 58.205 58.000 0.016 0.000 1.252 206 F CB 0.538 39.550 39.000 0.021 0.000 1.214 206 F HN 0.373 nan 8.300 nan 0.000 0.578 207 E N -1.274 119.064 120.200 0.231 0.000 3.680 207 E HA -0.246 4.096 4.350 -0.013 0.000 0.309 207 E C 0.187 176.833 176.600 0.077 0.000 0.793 207 E CA 0.790 57.266 56.400 0.127 0.000 1.083 207 E CB -0.944 28.824 29.700 0.113 0.000 1.548 207 E HN 0.512 nan 8.360 nan 0.000 0.456 208 R N 0.052 120.587 120.500 0.060 0.000 2.602 208 R HA 0.631 4.963 4.340 -0.013 0.000 0.237 208 R C 0.220 176.532 176.300 0.020 0.000 1.219 208 R CA -0.423 55.696 56.100 0.030 0.000 1.121 208 R CB 1.302 31.610 30.300 0.013 0.000 1.408 208 R HN -0.038 nan 8.270 nan 0.000 0.559 209 S N -0.291 115.416 115.700 0.011 0.000 2.540 209 S HA 0.296 4.758 4.470 -0.013 0.000 0.275 209 S C -0.786 173.814 174.600 0.001 0.000 1.123 209 S CA -0.870 57.334 58.200 0.007 0.000 0.907 209 S CB 2.213 65.419 63.200 0.010 0.000 1.081 209 S HN 0.274 nan 8.310 nan 0.000 0.476 210 V N 2.793 122.707 119.914 -0.001 0.000 2.322 210 V HA 0.204 4.316 4.120 -0.013 0.000 0.258 210 V C 1.439 177.532 176.094 -0.002 0.000 1.074 210 V CA -0.316 61.982 62.300 -0.003 0.000 0.909 210 V CB -0.368 31.452 31.823 -0.005 0.000 1.090 210 V HN 1.139 nan 8.190 nan 0.000 0.486 211 T N 0.655 115.208 114.554 -0.002 0.000 3.055 211 T HA 0.427 4.769 4.350 -0.013 0.000 0.265 211 T C 0.931 175.630 174.700 -0.003 0.000 1.111 211 T CA 0.640 62.740 62.100 -0.001 0.000 1.118 211 T CB 0.352 69.220 68.868 -0.000 0.000 0.909 211 T HN 1.119 nan 8.240 nan 0.000 0.501 212 G N 0.468 109.266 108.800 -0.004 0.000 2.344 212 G HA2 0.450 4.402 3.960 -0.013 0.000 0.282 212 G HA3 0.450 4.402 3.960 -0.013 0.000 0.282 212 G C -1.362 173.534 174.900 -0.006 0.000 1.281 212 G CA -0.352 44.745 45.100 -0.005 0.000 0.877 212 G HN 0.794 nan 8.290 nan 0.000 0.494 213 S N -1.890 113.805 115.700 -0.007 0.000 2.661 213 S HA 0.860 5.322 4.470 -0.013 0.000 0.285 213 S C -0.990 173.605 174.600 -0.007 0.000 1.138 213 S CA -0.360 57.836 58.200 -0.007 0.000 0.855 213 S CB 1.791 64.985 63.200 -0.009 0.000 1.136 213 S HN 1.873 nan 8.310 nan 0.000 0.484 214 V N 0.545 120.455 119.914 -0.007 0.000 2.524 214 V HA 0.503 4.615 4.120 -0.013 0.000 0.297 214 V C -0.269 175.820 176.094 -0.007 0.000 1.035 214 V CA -0.920 61.376 62.300 -0.007 0.000 0.867 214 V CB 0.294 32.112 31.823 -0.007 0.000 1.004 214 V HN 0.964 nan 8.190 nan 0.000 0.426 215 D N 4.580 124.976 120.400 -0.007 0.000 4.581 215 D HA -0.273 4.359 4.640 -0.013 0.000 0.261 215 D C 1.548 177.844 176.300 -0.007 0.000 0.490 215 D CA 2.686 56.682 54.000 -0.007 0.000 1.265 215 D CB -1.286 39.510 40.800 -0.007 0.000 0.776 215 D HN 1.071 nan 8.370 nan 0.000 0.351 216 G N -0.720 108.076 108.800 -0.007 0.000 3.596 216 G HA2 0.476 4.428 3.960 -0.013 0.000 0.274 216 G HA3 0.476 4.428 3.960 -0.013 0.000 0.274 216 G C -0.513 174.382 174.900 -0.007 0.000 1.007 216 G CA 0.218 45.314 45.100 -0.007 0.000 0.825 216 G HN 0.374 nan 8.290 nan 0.000 0.508 217 V N 1.256 121.165 119.914 -0.008 0.000 2.577 217 V HA 0.331 4.443 4.120 -0.013 0.000 0.303 217 V C 0.318 176.406 176.094 -0.009 0.000 1.042 217 V CA -0.862 61.433 62.300 -0.009 0.000 0.872 217 V CB 2.015 33.832 31.823 -0.011 0.000 0.998 217 V HN 0.026 nan 8.190 nan 0.000 0.423 218 V N 5.166 125.075 119.914 -0.009 0.000 3.139 218 V HA 0.165 4.278 4.120 -0.013 0.000 0.307 218 V C 0.256 176.344 176.094 -0.009 0.000 1.095 218 V CA -0.058 62.237 62.300 -0.009 0.000 1.160 218 V CB 0.711 32.528 31.823 -0.010 0.000 1.003 218 V HN 0.637 nan 8.190 nan 0.000 0.489 219 L N 3.736 124.954 121.223 -0.008 0.000 2.470 219 L HA 0.331 4.663 4.340 -0.013 0.000 0.253 219 L C -0.680 176.187 176.870 -0.005 0.000 1.163 219 L CA -0.479 54.358 54.840 -0.006 0.000 0.932 219 L CB 1.163 43.219 42.059 -0.005 0.000 1.213 219 L HN 0.518 nan 8.230 nan 0.000 0.485 220 L N 1.495 122.715 121.223 -0.006 0.000 2.476 220 L HA 0.012 4.344 4.340 -0.013 0.000 0.264 220 L C 1.709 178.579 176.870 -0.000 0.000 1.224 220 L CA 0.441 55.279 54.840 -0.004 0.000 0.821 220 L CB 0.354 42.410 42.059 -0.005 0.000 1.101 220 L HN 0.464 nan 8.230 nan 0.000 0.488 221 D N -0.087 120.315 120.400 0.003 0.000 2.218 221 D HA -0.198 4.434 4.640 -0.013 0.000 0.204 221 D C 0.784 177.087 176.300 0.005 0.000 0.976 221 D CA 1.111 55.114 54.000 0.004 0.000 0.853 221 D CB -0.686 40.119 40.800 0.008 0.000 0.939 221 D HN 0.695 nan 8.370 nan 0.000 0.481 222 D N -0.497 119.906 120.400 0.005 0.000 2.400 222 D HA 0.194 4.826 4.640 -0.013 0.000 0.243 222 D C 1.606 177.908 176.300 0.002 0.000 1.184 222 D CA 0.312 54.315 54.000 0.005 0.000 0.853 222 D CB -0.511 40.293 40.800 0.008 0.000 0.944 222 D HN 0.323 nan 8.370 nan 0.000 0.501 223 G N -0.239 108.561 108.800 0.001 0.000 2.196 223 G HA2 -0.331 3.621 3.960 -0.013 0.000 0.268 223 G HA3 -0.331 3.621 3.960 -0.013 0.000 0.268 223 G C 0.554 175.452 174.900 -0.003 0.000 0.975 223 G CA 0.606 45.705 45.100 -0.001 0.000 0.648 223 G HN 0.493 nan 8.290 nan 0.000 0.538 224 T N 1.774 116.326 114.554 -0.003 0.000 2.934 224 T HA 0.356 4.698 4.350 -0.013 0.000 0.306 224 T C 0.888 175.584 174.700 -0.008 0.000 1.042 224 T CA 0.203 62.300 62.100 -0.006 0.000 1.145 224 T CB 0.612 69.476 68.868 -0.006 0.000 0.982 224 T HN 0.413 nan 8.240 nan 0.000 0.544 225 R N 2.605 123.099 120.500 -0.010 0.000 2.368 225 R HA 0.558 4.890 4.340 -0.013 0.000 0.302 225 R C -0.403 175.888 176.300 -0.014 0.000 1.002 225 R CA -0.566 55.527 56.100 -0.011 0.000 0.929 225 R CB 1.094 31.387 30.300 -0.012 0.000 1.073 225 R HN 0.536 nan 8.270 nan 0.000 0.464 226 I N 2.107 122.669 120.570 -0.015 0.000 2.497 226 I HA 0.172 4.334 4.170 -0.013 0.000 0.284 226 I C -0.226 175.882 176.117 -0.016 0.000 1.060 226 I CA -0.712 60.578 61.300 -0.017 0.000 1.071 226 I CB 1.976 39.966 38.000 -0.017 0.000 1.216 226 I HN 0.686 nan 8.210 nan 0.000 0.442 227 A N 5.777 128.585 122.820 -0.020 0.000 2.475 227 A HA 0.613 4.925 4.320 -0.013 0.000 0.293 227 A C 0.348 177.924 177.584 -0.012 0.000 1.252 227 A CA -0.057 51.969 52.037 -0.018 0.000 0.920 227 A CB -0.178 18.807 19.000 -0.026 0.000 1.125 227 A HN 0.761 nan 8.150 nan 0.000 0.528 228 A N 2.853 125.670 122.820 -0.004 0.000 2.318 228 A HA 0.597 4.909 4.320 -0.013 0.000 0.317 228 A C 0.207 177.798 177.584 0.012 0.000 1.159 228 A CA -0.702 51.338 52.037 0.006 0.000 0.799 228 A CB 0.681 19.685 19.000 0.007 0.000 1.194 228 A HN 0.674 nan 8.150 nan 0.000 0.479 229 D N 1.452 121.864 120.400 0.020 0.000 2.347 229 D HA 0.096 4.728 4.640 -0.013 0.000 0.213 229 D C 0.431 176.755 176.300 0.040 0.000 0.985 229 D CA 1.140 55.154 54.000 0.024 0.000 0.879 229 D CB 0.049 40.865 40.800 0.026 0.000 0.919 229 D HN 0.677 nan 8.370 nan 0.000 0.526 230 M N -0.293 119.335 119.600 0.048 0.000 2.426 230 M HA 0.371 4.843 4.480 -0.013 0.000 0.289 230 M C -2.478 173.869 176.300 0.078 0.000 1.168 230 M CA -0.602 54.749 55.300 0.085 0.000 0.933 230 M CB 2.342 35.008 32.600 0.110 0.000 1.750 230 M HN -0.334 nan 8.290 nan 0.000 0.494 231 V N 3.461 123.439 119.914 0.107 0.000 2.769 231 V HA 0.871 4.983 4.120 -0.013 0.000 0.312 231 V C -0.965 175.211 176.094 0.137 0.000 1.061 231 V CA -0.695 61.654 62.300 0.080 0.000 0.931 231 V CB 2.130 33.977 31.823 0.040 0.000 1.010 231 V HN 0.762 nan 8.190 nan 0.000 0.433 232 V N 3.748 123.709 119.914 0.079 0.000 2.577 232 V HA 0.449 4.561 4.120 -0.013 0.000 0.303 232 V C -0.571 175.546 176.094 0.039 0.000 1.042 232 V CA -0.626 61.722 62.300 0.080 0.000 0.872 232 V CB 2.128 33.973 31.823 0.037 0.000 0.998 232 V HN 0.591 nan 8.190 nan 0.000 0.423 233 V N 3.566 123.506 119.914 0.043 0.000 2.311 233 V HA 0.651 4.763 4.120 -0.013 0.000 0.275 233 V C 0.855 176.958 176.094 0.016 0.000 1.022 233 V CA -0.020 62.293 62.300 0.021 0.000 0.830 233 V CB 1.354 33.188 31.823 0.018 0.000 1.012 233 V HN 1.010 nan 8.190 nan 0.000 0.452 234 G N 4.374 113.177 108.800 0.004 0.000 4.782 234 G HA2 0.441 4.393 3.960 -0.013 0.000 0.327 234 G HA3 0.441 4.393 3.960 -0.013 0.000 0.327 234 G C 0.326 175.222 174.900 -0.008 0.000 1.466 234 G CA -0.195 44.903 45.100 -0.003 0.000 1.017 234 G HN 0.709 nan 8.290 nan 0.000 0.543 235 I N 0.921 121.488 120.570 -0.006 0.000 3.793 235 I HA 0.252 4.414 4.170 -0.013 0.000 0.315 235 I C 1.335 177.445 176.117 -0.012 0.000 1.275 235 I CA 0.672 61.969 61.300 -0.006 0.000 1.214 235 I CB -0.216 37.782 38.000 -0.003 0.000 1.018 235 I HN 0.487 nan 8.210 nan 0.000 0.439 236 G N 1.345 110.133 108.800 -0.020 0.000 2.555 236 G HA2 -0.028 3.924 3.960 -0.013 0.000 0.686 236 G HA3 -0.028 3.924 3.960 -0.013 0.000 0.686 236 G C -0.807 174.075 174.900 -0.030 0.000 1.275 236 G CA -0.485 44.597 45.100 -0.031 0.000 0.871 236 G HN 0.170 nan 8.290 nan 0.000 0.603 237 V N -1.171 118.719 119.914 -0.041 0.000 2.581 237 V HA 0.901 5.013 4.120 -0.013 0.000 0.303 237 V C 0.372 176.441 176.094 -0.043 0.000 1.041 237 V CA -1.201 61.075 62.300 -0.041 0.000 0.907 237 V CB 1.691 33.483 31.823 -0.052 0.000 0.994 237 V HN 0.936 nan 8.190 nan 0.000 0.442 238 L N 3.831 125.032 121.223 -0.037 0.000 2.331 238 L HA 0.775 5.107 4.340 -0.013 0.000 0.275 238 L C 0.860 177.703 176.870 -0.044 0.000 1.022 238 L CA -0.701 54.116 54.840 -0.039 0.000 0.812 238 L CB 1.871 43.913 42.059 -0.029 0.000 1.257 238 L HN 0.997 nan 8.230 nan 0.000 0.435 239 A N 2.247 125.035 122.820 -0.053 0.000 2.483 239 A HA 0.090 4.402 4.320 -0.013 0.000 0.238 239 A C 0.186 177.745 177.584 -0.042 0.000 1.070 239 A CA -0.172 51.831 52.037 -0.057 0.000 0.770 239 A CB -0.118 18.839 19.000 -0.072 0.000 1.008 239 A HN 0.794 nan 8.150 nan 0.000 0.497 240 N N 1.708 120.384 118.700 -0.039 0.000 3.229 240 N HA 0.092 4.824 4.740 -0.013 0.000 0.275 240 N C -0.749 174.750 175.510 -0.018 0.000 1.225 240 N CA -0.020 53.015 53.050 -0.025 0.000 1.119 240 N CB 0.725 39.199 38.487 -0.023 0.000 1.392 240 N HN 0.681 nan 8.380 nan 0.000 0.520 241 D N -0.530 119.860 120.400 -0.016 0.000 2.388 241 D HA 0.093 4.725 4.640 -0.013 0.000 0.221 241 D C 1.397 177.709 176.300 0.020 0.000 1.133 241 D CA -0.382 53.617 54.000 -0.001 0.000 0.831 241 D CB 0.069 40.861 40.800 -0.014 0.000 0.962 241 D HN 0.176 nan 8.370 nan 0.000 0.502 242 A N 0.740 123.568 122.820 0.014 0.000 1.927 242 A HA -0.195 4.117 4.320 -0.013 0.000 0.220 242 A C 1.883 179.479 177.584 0.020 0.000 1.185 242 A CA 1.241 53.285 52.037 0.012 0.000 0.639 242 A CB -0.652 18.352 19.000 0.008 0.000 0.820 242 A HN 0.283 nan 8.150 nan 0.000 0.451 243 L N -0.806 120.454 121.223 0.061 0.000 2.291 243 L HA 0.001 4.333 4.340 -0.013 0.000 0.214 243 L C 2.800 179.728 176.870 0.096 0.000 1.120 243 L CA 1.460 56.357 54.840 0.094 0.000 0.799 243 L CB -0.812 41.404 42.059 0.261 0.000 0.925 243 L HN 0.400 nan 8.230 nan 0.000 0.446 244 A N -0.027 122.875 122.820 0.137 0.000 1.855 244 A HA -0.123 4.189 4.320 -0.013 0.000 0.213 244 A C 2.438 180.049 177.584 0.044 0.000 1.195 244 A CA 1.052 53.180 52.037 0.152 0.000 0.610 244 A CB -0.310 18.760 19.000 0.117 0.000 0.837 244 A HN 0.337 nan 8.150 nan 0.000 0.444 245 R N -0.001 120.509 120.500 0.018 0.000 2.115 245 R HA 0.039 4.372 4.340 -0.013 0.000 0.230 245 R C 2.322 178.597 176.300 -0.041 0.000 1.111 245 R CA 1.018 57.118 56.100 -0.000 0.000 0.976 245 R CB -0.495 29.807 30.300 0.003 0.000 0.870 245 R HN 0.469 nan 8.270 nan 0.000 0.445 246 A N 1.584 124.362 122.820 -0.070 0.000 1.908 246 A HA -0.101 4.211 4.320 -0.013 0.000 0.218 246 A C 2.174 179.653 177.584 -0.174 0.000 1.181 246 A CA 1.788 53.757 52.037 -0.113 0.000 0.627 246 A CB -0.468 18.457 19.000 -0.125 0.000 0.818 246 A HN 0.386 nan 8.150 nan 0.000 0.445 247 A N -2.111 120.555 122.820 -0.257 0.000 2.345 247 A HA 0.454 4.767 4.320 -0.013 0.000 0.225 247 A C 1.554 179.055 177.584 -0.137 0.000 1.243 247 A CA 1.015 52.859 52.037 -0.321 0.000 0.875 247 A CB -0.839 17.708 19.000 -0.755 0.000 0.929 247 A HN 1.921 nan 8.150 nan 0.000 0.502 248 G N -1.339 107.417 108.800 -0.073 0.000 2.132 248 G HA2 -0.162 3.790 3.960 -0.013 0.000 0.234 248 G HA3 -0.162 3.790 3.960 -0.013 0.000 0.234 248 G C -0.162 174.743 174.900 0.008 0.000 0.989 248 G CA 0.220 45.303 45.100 -0.027 0.000 0.676 248 G HN 0.316 nan 8.290 nan 0.000 0.522 249 L N 0.778 122.023 121.223 0.036 0.000 2.439 249 L HA 0.783 5.115 4.340 -0.013 0.000 0.259 249 L C 1.223 178.138 176.870 0.074 0.000 1.129 249 L CA -0.024 54.855 54.840 0.065 0.000 0.803 249 L CB 0.810 42.931 42.059 0.104 0.000 1.161 249 L HN 0.532 nan 8.230 nan 0.000 0.462 250 A N 0.951 123.827 122.820 0.093 0.000 2.491 250 A HA 0.419 4.731 4.320 -0.013 0.000 0.261 250 A C -0.480 177.284 177.584 0.301 0.000 1.101 250 A CA -0.017 52.111 52.037 0.151 0.000 0.772 250 A CB -0.684 18.364 19.000 0.079 0.000 1.043 250 A HN 0.685 nan 8.150 nan 0.000 0.501 251 C N 1.971 121.432 119.300 0.269 0.000 2.782 251 C HA 0.662 5.115 4.460 -0.013 0.000 0.328 251 C C -0.596 174.494 174.990 0.168 0.000 1.145 251 C CA -0.540 58.583 59.018 0.174 0.000 1.358 251 C CB 1.811 29.593 27.740 0.069 0.000 1.841 251 C HN 0.928 nan 8.230 nan 0.000 0.477 252 D N 1.794 122.215 120.400 0.035 0.000 2.472 252 D HA 0.258 4.890 4.640 -0.013 0.000 0.248 252 D C -0.461 175.792 176.300 -0.077 0.000 1.271 252 D CA 0.127 54.152 54.000 0.042 0.000 0.888 252 D CB 0.243 41.161 40.800 0.196 0.000 1.337 252 D HN 0.708 nan 8.370 nan 0.000 0.526 253 D N 2.520 122.889 120.400 -0.051 0.000 2.890 253 D HA 0.020 4.652 4.640 -0.013 0.000 0.226 253 D C 0.019 176.247 176.300 -0.121 0.000 1.207 253 D CA 2.273 56.233 54.000 -0.066 0.000 0.764 253 D CB -0.851 39.920 40.800 -0.049 0.000 0.948 253 D HN 0.826 nan 8.370 nan 0.000 0.404 254 G N 0.339 109.059 108.800 -0.133 0.000 2.348 254 G HA2 0.171 4.123 3.960 -0.013 0.000 0.606 254 G HA3 0.171 4.123 3.960 -0.013 0.000 0.606 254 G C -0.499 174.269 174.900 -0.220 0.000 1.466 254 G CA -0.588 44.407 45.100 -0.175 0.000 0.950 254 G HN 0.448 nan 8.290 nan 0.000 0.657 255 I N 1.217 121.697 120.570 -0.151 0.000 2.325 255 I HA 0.369 4.531 4.170 -0.013 0.000 0.291 255 I C 0.224 176.299 176.117 -0.070 0.000 1.019 255 I CA -0.531 60.722 61.300 -0.078 0.000 1.302 255 I CB 0.642 38.634 38.000 -0.014 0.000 1.401 255 I HN 0.331 nan 8.210 nan 0.000 0.485 256 F N 6.343 126.321 119.950 0.046 0.000 2.529 256 F HA 0.328 4.845 4.527 -0.017 0.000 0.365 256 F C 0.533 176.380 175.800 0.079 0.000 1.102 256 F CA -0.141 57.914 58.000 0.092 0.000 1.271 256 F CB 0.784 39.803 39.000 0.031 0.000 1.120 256 F HN 0.226 nan 8.300 nan 0.000 0.579 257 V N 0.359 120.459 119.914 0.310 0.000 2.888 257 V HA 0.585 4.697 4.120 -0.013 0.000 0.309 257 V C -0.868 175.376 176.094 0.250 0.000 1.114 257 V CA -1.103 61.316 62.300 0.198 0.000 0.940 257 V CB 1.726 33.612 31.823 0.105 0.000 1.021 257 V HN 0.675 nan 8.190 nan 0.000 0.426 258 D N 4.134 124.636 120.400 0.170 0.000 2.425 258 D HA 0.519 5.151 4.640 -0.013 0.000 0.274 258 D C 1.297 177.589 176.300 -0.014 0.000 1.242 258 D CA 0.070 54.144 54.000 0.124 0.000 1.060 258 D CB 0.741 41.601 40.800 0.099 0.000 1.112 258 D HN 0.862 nan 8.370 nan 0.000 0.561 259 A N -1.530 121.154 122.820 -0.227 0.000 2.121 259 A HA -0.083 4.229 4.320 -0.013 0.000 0.218 259 A C 1.209 178.471 177.584 -0.537 0.000 1.154 259 A CA 0.776 52.551 52.037 -0.438 0.000 0.679 259 A CB -0.983 17.618 19.000 -0.665 0.000 0.795 259 A HN 0.561 nan 8.150 nan 0.000 0.458 260 Y N -1.482 118.817 120.300 -0.001 0.000 2.507 260 Y HA 0.415 4.959 4.550 -0.011 0.000 0.254 260 Y C 1.633 177.643 175.900 0.184 0.000 1.171 260 Y CA 0.057 58.158 58.100 0.002 0.000 1.238 260 Y CB 0.114 38.489 38.460 -0.142 0.000 1.148 260 Y HN 0.343 nan 8.280 nan 0.000 0.525 261 G N 1.018 109.945 108.800 0.213 0.000 2.136 261 G HA2 -0.302 3.650 3.960 -0.013 0.000 0.242 261 G HA3 -0.302 3.650 3.960 -0.013 0.000 0.242 261 G C 0.165 175.152 174.900 0.145 0.000 0.989 261 G CA -0.478 44.746 45.100 0.207 0.000 0.682 261 G HN 0.324 nan 8.290 nan 0.000 0.522 262 R N 1.122 121.645 120.500 0.038 0.000 2.438 262 R HA 0.515 4.848 4.340 -0.013 0.000 0.287 262 R C 1.043 177.287 176.300 -0.094 0.000 1.077 262 R CA 0.583 56.544 56.100 -0.231 0.000 1.034 262 R CB 0.546 30.768 30.300 -0.130 0.000 0.993 262 R HN 0.259 nan 8.270 nan 0.000 0.459 263 T N 0.098 114.560 114.554 -0.153 0.000 2.810 263 T HA 0.048 4.390 4.350 -0.013 0.000 0.277 263 T C 1.393 176.073 174.700 -0.034 0.000 0.973 263 T CA -0.453 61.619 62.100 -0.046 0.000 0.949 263 T CB 0.919 69.760 68.868 -0.044 0.000 1.075 263 T HN 0.721 nan 8.240 nan 0.000 0.537 264 T N -2.567 111.991 114.554 0.007 0.000 3.160 264 T HA 0.080 4.422 4.350 -0.013 0.000 0.257 264 T C 0.668 175.369 174.700 0.001 0.000 1.147 264 T CA -0.337 61.762 62.100 -0.002 0.000 1.064 264 T CB -0.736 68.131 68.868 -0.002 0.000 0.949 264 T HN 0.548 nan 8.240 nan 0.000 0.526 265 C N 3.128 122.429 119.300 0.000 0.000 2.298 265 C HA 0.591 5.043 4.460 -0.013 0.000 0.323 265 C C -2.663 172.334 174.990 0.012 0.000 1.284 265 C CA -2.644 56.390 59.018 0.027 0.000 1.577 265 C CB 0.413 28.200 27.740 0.080 0.000 2.249 265 C HN 0.248 nan 8.230 nan 0.000 0.497 266 P HA 0.151 nan 4.420 nan 0.000 0.264 266 P C 0.009 177.391 177.300 0.136 0.000 1.183 266 P CA 1.266 64.407 63.100 0.067 0.000 0.763 266 P CB 0.309 32.065 31.700 0.093 0.000 0.807 267 D N -0.289 120.207 120.400 0.161 0.000 3.090 267 D HA -0.121 4.511 4.640 -0.013 0.000 0.215 267 D C -0.586 175.855 176.300 0.234 0.000 1.140 267 D CA 0.864 55.045 54.000 0.301 0.000 0.937 267 D CB -1.497 39.613 40.800 0.517 0.000 1.108 267 D HN 0.123 nan 8.370 nan 0.000 0.420 268 V N 0.856 120.773 119.914 0.004 0.000 2.577 268 V HA 0.500 4.612 4.120 -0.013 0.000 0.303 268 V C -0.194 175.749 176.094 -0.253 0.000 1.042 268 V CA -0.817 61.437 62.300 -0.075 0.000 0.872 268 V CB 1.786 33.542 31.823 -0.111 0.000 0.998 268 V HN -0.041 nan 8.190 nan 0.000 0.423 269 Y N 1.960 122.187 120.300 -0.121 0.000 2.602 269 Y HA 0.904 5.444 4.550 -0.017 0.000 0.330 269 Y C 0.389 176.180 175.900 -0.183 0.000 1.114 269 Y CA -0.796 57.233 58.100 -0.118 0.000 1.182 269 Y CB 2.081 40.463 38.460 -0.130 0.000 1.305 269 Y HN 0.771 nan 8.280 nan 0.000 0.502 270 A N 1.345 124.165 122.820 -0.000 0.000 2.555 270 A HA 0.813 5.125 4.320 -0.013 0.000 0.297 270 A C -2.098 175.423 177.584 -0.105 0.000 1.060 270 A CA -0.631 51.352 52.037 -0.091 0.000 0.710 270 A CB 0.766 19.729 19.000 -0.062 0.000 1.282 270 A HN 0.653 nan 8.150 nan 0.000 0.399 271 L N 0.811 121.937 121.223 -0.161 0.000 2.469 271 L HA 0.961 5.293 4.340 -0.013 0.000 0.256 271 L C 0.694 177.470 176.870 -0.157 0.000 1.006 271 L CA -0.093 54.646 54.840 -0.168 0.000 0.832 271 L CB 1.461 43.376 42.059 -0.241 0.000 1.421 271 L HN 2.310 nan 8.230 nan 0.000 0.410 272 G N 0.401 109.111 108.800 -0.151 0.000 2.642 272 G HA2 -0.226 3.726 3.960 -0.013 0.000 0.231 272 G HA3 -0.226 3.726 3.960 -0.013 0.000 0.231 272 G C 0.009 174.835 174.900 -0.123 0.000 1.338 272 G CA 0.356 45.367 45.100 -0.149 0.000 0.883 272 G HN 0.760 nan 8.290 nan 0.000 0.570 273 D N -0.838 119.488 120.400 -0.123 0.000 2.203 273 D HA -0.097 4.535 4.640 -0.013 0.000 0.199 273 D C 2.461 178.700 176.300 -0.101 0.000 0.997 273 D CA 1.503 55.437 54.000 -0.110 0.000 0.863 273 D CB -0.236 40.500 40.800 -0.107 0.000 0.928 273 D HN 0.533 nan 8.370 nan 0.000 0.458 274 V N 0.354 120.208 119.914 -0.100 0.000 2.913 274 V HA -0.098 4.014 4.120 -0.013 0.000 0.260 274 V C 1.047 177.082 176.094 -0.097 0.000 1.098 274 V CA 1.575 63.820 62.300 -0.090 0.000 1.121 274 V CB -0.387 31.385 31.823 -0.084 0.000 0.714 274 V HN 0.366 nan 8.190 nan 0.000 0.487 275 T N -0.646 113.848 114.554 -0.099 0.000 2.943 275 T HA 0.526 4.868 4.350 -0.013 0.000 0.284 275 T C -0.275 174.354 174.700 -0.118 0.000 1.015 275 T CA -0.856 61.185 62.100 -0.097 0.000 1.042 275 T CB 1.426 70.255 68.868 -0.064 0.000 1.055 275 T HN 0.401 nan 8.240 nan 0.000 0.500 276 R N 2.435 122.842 120.500 -0.154 0.000 2.337 276 R HA 0.411 4.743 4.340 -0.013 0.000 0.319 276 R C -0.147 176.181 176.300 0.047 0.000 0.954 276 R CA -0.672 55.332 56.100 -0.160 0.000 0.840 276 R CB 1.426 31.445 30.300 -0.468 0.000 1.164 276 R HN 0.776 nan 8.270 nan 0.000 0.472 277 Q N 1.450 121.212 119.800 -0.063 0.000 2.445 277 Q HA 0.477 4.809 4.340 -0.013 0.000 0.281 277 Q C -0.567 174.952 176.000 -0.802 0.000 1.101 277 Q CA -1.260 54.377 55.803 -0.276 0.000 0.833 277 Q CB 1.695 30.355 28.738 -0.131 0.000 1.416 277 Q HN 0.295 nan 8.270 nan 0.000 0.451 278 R N 1.181 120.908 120.500 -1.288 0.000 2.537 278 R HA 0.065 4.397 4.340 -0.013 0.000 0.280 278 R C -0.534 175.505 176.300 -0.436 0.000 1.058 278 R CA -0.058 55.417 56.100 -1.043 0.000 1.057 278 R CB 0.428 30.299 30.300 -0.715 0.000 0.973 278 R HN 0.571 nan 8.270 nan 0.000 0.438 279 N N 5.571 124.103 118.700 -0.280 0.000 2.500 279 N HA 0.116 4.848 4.740 -0.013 0.000 0.236 279 N C -1.904 173.534 175.510 -0.119 0.000 1.022 279 N CA -2.105 50.856 53.050 -0.147 0.000 0.935 279 N CB 1.390 39.831 38.487 -0.076 0.000 1.147 279 N HN 0.394 nan 8.380 nan 0.000 0.512 280 P HA -0.125 nan 4.420 nan 0.000 0.219 280 P C 1.530 178.800 177.300 -0.051 0.000 1.146 280 P CA 0.813 63.858 63.100 -0.091 0.000 0.808 280 P CB 0.614 32.250 31.700 -0.108 0.000 0.779 281 L N 0.045 121.244 121.223 -0.040 0.000 2.141 281 L HA -0.124 4.208 4.340 -0.013 0.000 0.209 281 L C 2.737 179.605 176.870 -0.003 0.000 1.094 281 L CA 2.113 56.944 54.840 -0.014 0.000 0.763 281 L CB -0.699 41.360 42.059 0.001 0.000 0.908 281 L HN 0.185 nan 8.230 nan 0.000 0.437 282 S N -2.090 113.607 115.700 -0.005 0.000 2.545 282 S HA 0.230 4.692 4.470 -0.013 0.000 0.232 282 S C 1.573 176.185 174.600 0.020 0.000 1.070 282 S CA 0.531 58.738 58.200 0.012 0.000 0.923 282 S CB 1.075 64.285 63.200 0.017 0.000 0.806 282 S HN 0.422 nan 8.310 nan 0.000 0.506 283 G N 1.476 110.279 108.800 0.006 0.000 2.213 283 G HA2 -0.172 3.780 3.960 -0.013 0.000 0.236 283 G HA3 -0.172 3.780 3.960 -0.013 0.000 0.236 283 G C 0.059 175.022 174.900 0.106 0.000 0.991 283 G CA -0.126 44.996 45.100 0.038 0.000 0.629 283 G HN 0.524 nan 8.290 nan 0.000 0.517 284 R N -0.142 120.413 120.500 0.091 0.000 2.459 284 R HA 0.560 4.892 4.340 -0.013 0.000 0.281 284 R C -0.341 176.048 176.300 0.149 0.000 1.050 284 R CA -1.119 55.088 56.100 0.178 0.000 1.055 284 R CB 0.054 30.427 30.300 0.121 0.000 1.045 284 R HN 0.084 nan 8.270 nan 0.000 0.495 285 F N 2.326 122.330 119.950 0.089 0.000 2.434 285 F HA 0.148 4.669 4.527 -0.010 0.000 0.358 285 F C 0.892 176.719 175.800 0.046 0.000 1.136 285 F CA 0.147 58.214 58.000 0.110 0.000 1.157 285 F CB 0.327 39.501 39.000 0.288 0.000 1.167 285 F HN 0.250 nan 8.300 nan 0.000 0.539 286 E N 3.224 123.442 120.200 0.029 0.000 2.244 286 E HA 0.503 4.845 4.350 -0.013 0.000 0.266 286 E C -0.449 176.114 176.600 -0.061 0.000 0.914 286 E CA -1.231 55.161 56.400 -0.013 0.000 0.794 286 E CB 2.026 31.710 29.700 -0.025 0.000 1.210 286 E HN 0.421 nan 8.360 nan 0.000 0.414 287 R N 1.412 121.868 120.500 -0.074 0.000 2.390 287 R HA 0.351 4.683 4.340 -0.013 0.000 0.291 287 R C -0.228 176.025 176.300 -0.077 0.000 1.070 287 R CA -0.305 55.742 56.100 -0.088 0.000 1.014 287 R CB 0.698 30.938 30.300 -0.099 0.000 1.007 287 R HN 0.439 nan 8.270 nan 0.000 0.466 288 I N 3.373 123.897 120.570 -0.076 0.000 2.428 288 I HA 0.141 4.303 4.170 -0.013 0.000 0.279 288 I C -0.311 175.746 176.117 -0.100 0.000 1.040 288 I CA -0.275 60.983 61.300 -0.071 0.000 1.171 288 I CB 1.471 39.452 38.000 -0.032 0.000 1.312 288 I HN 0.579 nan 8.210 nan 0.000 0.470 289 E N 4.220 124.338 120.200 -0.137 0.000 2.325 289 E HA 0.109 4.452 4.350 -0.013 0.000 0.295 289 E C 0.209 176.685 176.600 -0.208 0.000 1.461 289 E CA -0.193 56.108 56.400 -0.164 0.000 1.698 289 E CB 0.220 29.818 29.700 -0.170 0.000 1.496 289 E HN 0.614 nan 8.360 nan 0.000 0.474 290 T N -3.836 110.612 114.554 -0.178 0.000 2.893 290 T HA 0.176 4.518 4.350 -0.013 0.000 0.291 290 T C 0.337 174.955 174.700 -0.136 0.000 1.028 290 T CA -0.993 60.988 62.100 -0.199 0.000 0.995 290 T CB 1.233 69.994 68.868 -0.178 0.000 1.051 290 T HN 0.451 nan 8.240 nan 0.000 0.470 291 W N 2.771 123.839 121.300 -0.388 0.000 2.311 291 W HA -0.194 4.456 4.660 -0.017 0.000 0.326 291 W C 2.284 178.703 176.519 -0.166 0.000 1.239 291 W CA 2.548 59.737 57.345 -0.260 0.000 1.258 291 W CB -0.727 28.568 29.460 -0.275 0.000 1.165 291 W HN 0.859 nan 8.180 nan 0.000 0.466 292 S N 0.447 116.343 115.700 0.326 0.000 2.457 292 S HA -0.493 3.969 4.470 -0.013 0.000 0.269 292 S C 1.402 176.049 174.600 0.078 0.000 1.139 292 S CA 2.237 60.539 58.200 0.169 0.000 1.176 292 S CB -1.435 61.356 63.200 -0.681 0.000 1.088 292 S HN 0.612 nan 8.310 nan 0.000 0.443 293 N N 1.443 120.132 118.700 -0.018 0.000 2.216 293 N HA 0.068 4.800 4.740 -0.013 0.000 0.183 293 N C 1.754 177.168 175.510 -0.160 0.000 1.017 293 N CA 1.142 54.182 53.050 -0.016 0.000 0.861 293 N CB -0.553 37.929 38.487 -0.007 0.000 0.986 293 N HN 0.409 nan 8.380 nan 0.000 0.428 294 A N 0.426 123.117 122.820 -0.215 0.000 1.883 294 A HA -0.267 4.045 4.320 -0.013 0.000 0.217 294 A C 2.160 179.536 177.584 -0.346 0.000 1.186 294 A CA 1.933 53.796 52.037 -0.290 0.000 0.624 294 A CB -0.939 17.853 19.000 -0.346 0.000 0.822 294 A HN 0.639 nan 8.150 nan 0.000 0.444 295 Q N -0.797 118.726 119.800 -0.461 0.000 2.008 295 Q HA -0.134 4.198 4.340 -0.013 0.000 0.196 295 Q C 1.525 177.387 176.000 -0.230 0.000 0.973 295 Q CA 1.415 56.966 55.803 -0.420 0.000 0.826 295 Q CB -0.210 28.125 28.738 -0.671 0.000 0.894 295 Q HN 0.614 nan 8.270 nan 0.000 0.439 296 N N 0.524 119.125 118.700 -0.165 0.000 2.396 296 N HA -0.144 4.588 4.740 -0.013 0.000 0.180 296 N C 1.527 176.757 175.510 -0.467 0.000 1.028 296 N CA 0.925 53.902 53.050 -0.122 0.000 0.893 296 N CB -0.134 38.435 38.487 0.137 0.000 0.967 296 N HN 0.435 nan 8.380 nan 0.000 0.440 297 Q N 0.693 120.068 119.800 -0.709 0.000 2.245 297 Q HA -0.003 4.329 4.340 -0.013 0.000 0.201 297 Q C 1.798 177.582 176.000 -0.360 0.000 0.955 297 Q CA 0.936 56.172 55.803 -0.945 0.000 0.870 297 Q CB -0.094 28.226 28.738 -0.697 0.000 0.945 297 Q HN 0.292 nan 8.270 nan 0.000 0.461 298 G N 1.851 110.513 108.800 -0.231 0.000 2.587 298 G HA2 -0.284 3.668 3.960 -0.013 0.000 0.217 298 G HA3 -0.284 3.668 3.960 -0.013 0.000 0.217 298 G C 1.412 176.359 174.900 0.079 0.000 1.240 298 G CA 1.158 46.236 45.100 -0.037 0.000 0.794 298 G HN 0.350 nan 8.290 nan 0.000 0.580 299 I N 1.529 122.091 120.570 -0.013 0.000 2.127 299 I HA -0.239 3.923 4.170 -0.013 0.000 0.241 299 I C 3.332 179.459 176.117 0.016 0.000 1.075 299 I CA 1.291 62.587 61.300 -0.007 0.000 1.334 299 I CB -0.502 37.495 38.000 -0.005 0.000 1.040 299 I HN 0.273 nan 8.210 nan 0.000 0.405 300 A N 0.126 122.938 122.820 -0.013 0.000 2.076 300 A HA -0.113 4.199 4.320 -0.013 0.000 0.220 300 A C 2.360 180.014 177.584 0.117 0.000 1.160 300 A CA 1.550 53.625 52.037 0.064 0.000 0.653 300 A CB -0.651 18.399 19.000 0.083 0.000 0.801 300 A HN 0.311 nan 8.150 nan 0.000 0.455 301 V N -1.146 118.828 119.914 0.100 0.000 2.599 301 V HA -0.007 4.105 4.120 -0.013 0.000 0.245 301 V C 2.816 179.031 176.094 0.202 0.000 1.046 301 V CA 1.384 63.794 62.300 0.184 0.000 1.065 301 V CB -0.441 31.469 31.823 0.146 0.000 0.703 301 V HN 0.555 nan 8.190 nan 0.000 0.464 302 A N 0.474 123.387 122.820 0.156 0.000 2.067 302 A HA -0.120 4.192 4.320 -0.013 0.000 0.217 302 A C 2.219 179.724 177.584 -0.130 0.000 1.156 302 A CA 1.530 53.491 52.037 -0.127 0.000 0.683 302 A CB -0.321 18.301 19.000 -0.631 0.000 0.808 302 A HN 0.459 nan 8.150 nan 0.000 0.455 303 R N -0.791 119.695 120.500 -0.023 0.000 2.127 303 R HA -0.059 4.273 4.340 -0.013 0.000 0.217 303 R C 1.813 178.133 176.300 0.034 0.000 1.074 303 R CA 1.816 57.913 56.100 -0.006 0.000 0.991 303 R CB -0.836 29.483 30.300 0.032 0.000 0.895 303 R HN 0.644 nan 8.270 nan 0.000 0.450 304 H N -0.469 118.620 119.070 0.032 0.000 2.462 304 H HA 0.111 4.660 4.556 -0.011 0.000 0.292 304 H C 1.561 176.880 175.328 -0.014 0.000 1.049 304 H CA 1.469 57.550 56.048 0.056 0.000 1.334 304 H CB 0.062 29.935 29.762 0.186 0.000 1.404 304 H HN 0.213 nan 8.280 nan 0.000 0.544 305 L N -0.546 120.642 121.223 -0.058 0.000 2.201 305 L HA -0.085 4.248 4.340 -0.013 0.000 0.212 305 L C 1.572 178.313 176.870 -0.214 0.000 1.105 305 L CA 0.710 55.447 54.840 -0.171 0.000 0.775 305 L CB 0.160 42.082 42.059 -0.229 0.000 0.913 305 L HN 0.263 nan 8.230 nan 0.000 0.440 306 V N -2.043 117.760 119.914 -0.185 0.000 3.565 306 V HA 0.079 4.191 4.120 -0.013 0.000 0.260 306 V C -0.241 175.784 176.094 -0.115 0.000 1.231 306 V CA 0.379 62.596 62.300 -0.139 0.000 1.100 306 V CB 0.240 31.997 31.823 -0.111 0.000 0.807 306 V HN 0.279 nan 8.190 nan 0.000 0.454 307 D N -0.261 120.051 120.400 -0.147 0.000 2.375 307 D HA 0.273 4.905 4.640 -0.013 0.000 0.241 307 D C -2.582 173.587 176.300 -0.218 0.000 1.361 307 D CA -1.453 52.471 54.000 -0.125 0.000 0.995 307 D CB 2.277 43.048 40.800 -0.048 0.000 1.312 307 D HN 0.040 nan 8.370 nan 0.000 0.576 308 P HA 0.084 nan 4.420 nan 0.000 0.249 308 P C 1.073 178.302 177.300 -0.119 0.000 1.229 308 P CA 0.435 63.265 63.100 -0.450 0.000 0.788 308 P CB 0.259 31.759 31.700 -0.334 0.000 1.072 309 T N -3.943 110.587 114.554 -0.040 0.000 3.081 309 T HA 0.339 4.681 4.350 -0.013 0.000 0.255 309 T C 0.998 175.754 174.700 0.094 0.000 1.113 309 T CA -0.119 61.999 62.100 0.031 0.000 1.082 309 T CB -0.493 68.386 68.868 0.018 0.000 0.939 309 T HN 0.005 nan 8.240 nan 0.000 0.506 310 A N 3.284 126.176 122.820 0.120 0.000 2.366 310 A HA 0.611 4.923 4.320 -0.013 0.000 0.249 310 A C -2.027 175.752 177.584 0.325 0.000 1.084 310 A CA -1.465 50.682 52.037 0.185 0.000 0.794 310 A CB 0.035 19.131 19.000 0.159 0.000 1.034 310 A HN 0.356 nan 8.150 nan 0.000 0.491 311 P HA 0.415 nan 4.420 nan 0.000 0.281 311 P C 0.209 177.662 177.300 0.255 0.000 1.264 311 P CA -0.063 63.186 63.100 0.247 0.000 0.824 311 P CB 1.043 32.826 31.700 0.139 0.000 1.092 312 G N -0.459 108.407 108.800 0.110 0.000 2.557 312 G HA2 0.225 4.177 3.960 -0.013 0.000 0.292 312 G HA3 0.225 4.177 3.960 -0.013 0.000 0.292 312 G C -0.992 173.921 174.900 0.022 0.000 1.237 312 G CA -0.849 44.192 45.100 -0.098 0.000 0.978 312 G HN 0.533 nan 8.290 nan 0.000 0.498 313 Y N 0.003 120.236 120.300 -0.112 0.000 2.810 313 Y HA 0.181 4.733 4.550 0.004 0.000 0.332 313 Y C 1.138 176.994 175.900 -0.074 0.000 1.243 313 Y CA 0.318 58.384 58.100 -0.056 0.000 1.537 313 Y CB 0.687 39.118 38.460 -0.049 0.000 1.265 313 Y HN 0.437 nan 8.280 nan 0.000 0.572 314 A N 4.198 126.825 122.820 -0.320 0.000 2.425 314 A HA 0.101 4.413 4.320 -0.013 0.000 0.201 314 A C 0.493 177.823 177.584 -0.424 0.000 1.431 314 A CA -0.329 51.505 52.037 -0.338 0.000 1.066 314 A CB -0.062 18.859 19.000 -0.131 0.000 1.318 314 A HN 0.747 nan 8.150 nan 0.000 0.534 315 E N -0.027 119.878 120.200 -0.492 0.000 2.485 315 E HA 0.112 4.454 4.350 -0.013 0.000 0.266 315 E C -1.078 175.386 176.600 -0.227 0.000 1.137 315 E CA 0.383 56.647 56.400 -0.227 0.000 1.010 315 E CB 0.281 30.024 29.700 0.072 0.000 0.986 315 E HN 0.226 nan 8.360 nan 0.000 0.460 316 L N 3.450 124.652 121.223 -0.034 0.000 2.331 316 L HA 0.344 4.676 4.340 -0.013 0.000 0.275 316 L C -2.032 174.951 176.870 0.188 0.000 1.022 316 L CA -1.805 53.042 54.840 0.013 0.000 0.812 316 L CB 1.101 43.157 42.059 -0.004 0.000 1.257 316 L HN 0.407 nan 8.230 nan 0.000 0.435 317 P HA 0.170 nan 4.420 nan 0.000 0.271 317 P C -1.381 176.181 177.300 0.437 0.000 1.218 317 P CA -0.247 63.010 63.100 0.262 0.000 0.780 317 P CB 0.551 32.339 31.700 0.146 0.000 0.901 318 W N 3.053 124.488 121.300 0.225 0.000 3.298 318 W HA 0.498 5.147 4.660 -0.017 0.000 0.302 318 W C -2.541 174.212 176.519 0.390 0.000 1.255 318 W CA -1.108 56.416 57.345 0.297 0.000 1.196 318 W CB -0.093 29.533 29.460 0.277 0.000 1.364 318 W HN 0.635 nan 8.180 nan 0.000 0.566 319 Y N 0.301 120.675 120.300 0.124 0.000 2.728 319 Y HA 0.860 5.401 4.550 -0.016 0.000 0.330 319 Y C -1.347 174.634 175.900 0.136 0.000 1.234 319 Y CA -1.823 56.171 58.100 -0.178 0.000 1.070 319 Y CB 0.968 39.278 38.460 -0.250 0.000 1.300 319 Y HN 0.685 nan 8.280 nan 0.000 0.467 320 W N 0.038 121.339 121.300 0.003 0.000 3.021 320 W HA 0.871 5.521 4.660 -0.017 0.000 0.337 320 W C -1.545 175.023 176.519 0.082 0.000 1.171 320 W CA -1.260 56.041 57.345 -0.073 0.000 1.060 320 W CB 1.572 30.996 29.460 -0.059 0.000 1.472 320 W HN 0.715 nan 8.180 nan 0.000 0.594 321 S N 0.638 116.510 115.700 0.288 0.000 2.592 321 S HA 0.259 4.721 4.470 -0.013 0.000 0.275 321 S C -1.912 172.827 174.600 0.231 0.000 1.169 321 S CA -0.604 57.724 58.200 0.215 0.000 0.958 321 S CB 0.741 64.042 63.200 0.168 0.000 1.095 321 S HN 0.465 nan 8.310 nan 0.000 0.471 322 D N 4.158 124.699 120.400 0.235 0.000 2.483 322 D HA 0.217 4.849 4.640 -0.013 0.000 0.281 322 D C -0.604 175.763 176.300 0.112 0.000 1.174 322 D CA -0.228 53.858 54.000 0.143 0.000 0.938 322 D CB 1.185 42.066 40.800 0.134 0.000 1.002 322 D HN 0.590 nan 8.370 nan 0.000 0.501 323 Q N 0.432 120.291 119.800 0.098 0.000 2.349 323 Q HA 0.515 4.847 4.340 -0.013 0.000 0.254 323 Q C 1.234 177.305 176.000 0.119 0.000 0.980 323 Q CA -0.732 55.158 55.803 0.144 0.000 0.924 323 Q CB 1.546 30.421 28.738 0.229 0.000 1.209 323 Q HN 0.381 nan 8.270 nan 0.000 0.445 324 G N 2.936 111.837 108.800 0.168 0.000 2.622 324 G HA2 -0.420 3.532 3.960 -0.013 0.000 0.307 324 G HA3 -0.420 3.532 3.960 -0.013 0.000 0.307 324 G C 0.417 175.388 174.900 0.119 0.000 1.226 324 G CA -0.080 45.147 45.100 0.212 0.000 0.997 324 G HN 1.026 nan 8.290 nan 0.000 0.551 325 A N -0.035 122.886 122.820 0.170 0.000 2.604 325 A HA 0.595 4.907 4.320 -0.013 0.000 0.248 325 A C 0.353 177.847 177.584 -0.150 0.000 1.466 325 A CA 0.865 52.942 52.037 0.067 0.000 1.222 325 A CB -0.916 18.238 19.000 0.257 0.000 0.945 325 A HN 1.145 nan 8.150 nan 0.000 0.600 326 L N -0.332 120.784 121.223 -0.178 0.000 2.680 326 L HA 0.282 4.614 4.340 -0.013 0.000 0.260 326 L C -0.682 176.111 176.870 -0.128 0.000 0.975 326 L CA -0.559 54.151 54.840 -0.217 0.000 0.920 326 L CB 1.600 43.440 42.059 -0.365 0.000 1.234 326 L HN 0.161 nan 8.230 nan 0.000 0.429 327 R N 3.282 123.707 120.500 -0.125 0.000 2.419 327 R HA 0.492 4.824 4.340 -0.013 0.000 0.305 327 R C -0.535 175.658 176.300 -0.178 0.000 1.242 327 R CA 0.209 56.239 56.100 -0.117 0.000 1.105 327 R CB -0.032 30.192 30.300 -0.126 0.000 1.116 327 R HN 0.427 nan 8.270 nan 0.000 0.523 328 I N 2.540 123.027 120.570 -0.139 0.000 2.359 328 I HA 0.211 4.373 4.170 -0.013 0.000 0.294 328 I C 0.037 176.012 176.117 -0.237 0.000 0.987 328 I CA -0.642 60.532 61.300 -0.210 0.000 1.225 328 I CB 1.534 39.456 38.000 -0.131 0.000 1.366 328 I HN 0.345 nan 8.210 nan 0.000 0.466 329 Q N 5.386 124.922 119.800 -0.440 0.000 2.330 329 Q HA 0.626 4.958 4.340 -0.013 0.000 0.269 329 Q C -1.314 174.311 176.000 -0.625 0.000 1.022 329 Q CA -0.712 54.718 55.803 -0.621 0.000 0.796 329 Q CB 3.155 31.132 28.738 -1.268 0.000 1.271 329 Q HN 0.412 nan 8.270 nan 0.000 0.450 330 V N 1.316 120.958 119.914 -0.452 0.000 2.448 330 V HA 0.883 4.995 4.120 -0.013 0.000 0.295 330 V C -0.586 175.630 176.094 0.204 0.000 1.025 330 V CA -0.664 61.499 62.300 -0.227 0.000 0.859 330 V CB 1.461 32.994 31.823 -0.484 0.000 0.988 330 V HN 0.859 nan 8.190 nan 0.000 0.431 331 A N 3.174 126.234 122.820 0.400 0.000 2.413 331 A HA 0.980 5.292 4.320 -0.013 0.000 0.307 331 A C 0.609 178.332 177.584 0.231 0.000 1.087 331 A CA 0.089 52.366 52.037 0.399 0.000 0.750 331 A CB 1.373 20.533 19.000 0.266 0.000 1.296 331 A HN 2.026 nan 8.150 nan 0.000 0.423 332 G N -0.079 108.843 108.800 0.203 0.000 2.594 332 G HA2 -0.198 3.754 3.960 -0.013 0.000 0.297 332 G HA3 -0.198 3.754 3.960 -0.013 0.000 0.297 332 G C 0.141 175.117 174.900 0.127 0.000 1.273 332 G CA 0.369 45.547 45.100 0.131 0.000 0.974 332 G HN 1.174 nan 8.290 nan 0.000 0.552 333 L N 1.091 122.368 121.223 0.091 0.000 2.395 333 L HA 0.467 4.799 4.340 -0.013 0.000 0.269 333 L C 1.982 178.908 176.870 0.092 0.000 1.133 333 L CA 0.154 55.044 54.840 0.082 0.000 0.812 333 L CB 1.298 43.391 42.059 0.057 0.000 1.125 333 L HN 0.886 nan 8.230 nan 0.000 0.452 334 A N 1.677 124.552 122.820 0.093 0.000 2.123 334 A HA 0.069 4.381 4.320 -0.013 0.000 0.214 334 A C 0.762 178.390 177.584 0.074 0.000 1.152 334 A CA 0.243 52.337 52.037 0.095 0.000 0.728 334 A CB -0.048 19.015 19.000 0.104 0.000 0.814 334 A HN 0.679 nan 8.150 nan 0.000 0.464 335 S N -0.686 115.051 115.700 0.061 0.000 2.473 335 S HA 0.714 5.176 4.470 -0.013 0.000 0.307 335 S C -0.015 174.609 174.600 0.041 0.000 1.094 335 S CA -0.162 58.067 58.200 0.048 0.000 1.070 335 S CB 1.690 64.916 63.200 0.043 0.000 1.019 335 S HN 0.691 nan 8.310 nan 0.000 0.480 336 G N 0.755 109.577 108.800 0.036 0.000 2.766 336 G HA2 0.564 4.516 3.960 -0.013 0.000 0.288 336 G HA3 0.564 4.516 3.960 -0.013 0.000 0.288 336 G C -0.684 174.231 174.900 0.025 0.000 1.408 336 G CA -0.861 44.257 45.100 0.030 0.000 0.852 336 G HN 0.574 nan 8.290 nan 0.000 0.487 337 D N -1.471 118.941 120.400 0.020 0.000 2.354 337 D HA 0.097 4.729 4.640 -0.013 0.000 0.209 337 D C 0.335 176.645 176.300 0.016 0.000 1.015 337 D CA 0.381 54.392 54.000 0.017 0.000 0.867 337 D CB 0.305 41.114 40.800 0.014 0.000 0.933 337 D HN 0.644 nan 8.370 nan 0.000 0.520 338 E N -0.511 119.700 120.200 0.017 0.000 2.343 338 E HA 0.483 4.826 4.350 -0.013 0.000 0.278 338 E C -1.186 175.426 176.600 0.020 0.000 0.910 338 E CA -0.870 55.540 56.400 0.016 0.000 0.757 338 E CB 2.106 31.814 29.700 0.013 0.000 1.218 338 E HN -0.042 nan 8.360 nan 0.000 0.435 339 E N 2.416 122.628 120.200 0.020 0.000 2.222 339 E HA 0.500 4.842 4.350 -0.013 0.000 0.267 339 E C -1.196 175.416 176.600 0.019 0.000 0.884 339 E CA -0.710 55.704 56.400 0.024 0.000 0.764 339 E CB 1.510 31.225 29.700 0.025 0.000 1.169 339 E HN 0.444 nan 8.360 nan 0.000 0.413 340 I N 3.453 124.037 120.570 0.023 0.000 2.509 340 I HA 0.354 4.516 4.170 -0.013 0.000 0.293 340 I C -0.740 175.392 176.117 0.025 0.000 1.020 340 I CA -1.026 60.286 61.300 0.020 0.000 1.088 340 I CB 2.036 40.047 38.000 0.018 0.000 1.267 340 I HN 0.242 nan 8.210 nan 0.000 0.430 341 V N 6.157 126.081 119.914 0.016 0.000 2.628 341 V HA 0.592 4.704 4.120 -0.013 0.000 0.306 341 V C -0.291 175.815 176.094 0.021 0.000 1.045 341 V CA -0.719 61.592 62.300 0.017 0.000 0.905 341 V CB 1.931 33.742 31.823 -0.020 0.000 0.997 341 V HN 0.700 nan 8.190 nan 0.000 0.436 342 R N 2.042 122.571 120.500 0.048 0.000 2.673 342 R HA 0.790 5.122 4.340 -0.013 0.000 0.281 342 R C 0.210 176.555 176.300 0.075 0.000 0.991 342 R CA -0.082 56.046 56.100 0.046 0.000 0.896 342 R CB 2.154 32.480 30.300 0.043 0.000 1.201 342 R HN 1.199 nan 8.270 nan 0.000 0.457 343 G N 1.450 110.278 108.800 0.047 0.000 2.512 343 G HA2 -0.179 3.773 3.960 -0.013 0.000 0.210 343 G HA3 -0.179 3.773 3.960 -0.013 0.000 0.210 343 G C -1.208 173.710 174.900 0.029 0.000 1.295 343 G CA -0.784 44.353 45.100 0.061 0.000 0.934 343 G HN 0.447 nan 8.290 nan 0.000 0.554 344 E N 0.489 120.719 120.200 0.049 0.000 2.149 344 E HA 0.446 4.788 4.350 -0.013 0.000 0.255 344 E C 0.220 176.798 176.600 -0.036 0.000 0.888 344 E CA -0.444 55.958 56.400 0.005 0.000 0.742 344 E CB 1.387 31.106 29.700 0.032 0.000 1.164 344 E HN 0.645 nan 8.360 nan 0.000 0.422 345 V N 2.961 122.739 119.914 -0.226 0.000 2.157 345 V HA 0.066 4.178 4.120 -0.013 0.000 0.241 345 V C 0.502 176.594 176.094 -0.003 0.000 1.349 345 V CA -0.197 61.835 62.300 -0.445 0.000 1.319 345 V CB -1.181 30.251 31.823 -0.652 0.000 1.421 345 V HN 0.483 nan 8.190 nan 0.000 0.501 346 S N 3.347 119.145 115.700 0.163 0.000 2.513 346 S HA 0.682 5.144 4.470 -0.013 0.000 0.299 346 S C 0.148 174.990 174.600 0.403 0.000 1.087 346 S CA -0.942 57.404 58.200 0.243 0.000 1.012 346 S CB 1.968 65.249 63.200 0.135 0.000 1.044 346 S HN 0.344 nan 8.310 nan 0.000 0.485 347 L N 1.369 122.753 121.223 0.267 0.000 2.627 347 L HA 0.243 4.575 4.340 -0.013 0.000 0.233 347 L C 1.325 178.329 176.870 0.224 0.000 1.144 347 L CA 0.306 55.281 54.840 0.226 0.000 0.892 347 L CB -0.763 41.288 42.059 -0.014 0.000 1.039 347 L HN 0.877 nan 8.230 nan 0.000 0.442 348 D N -0.002 120.511 120.400 0.189 0.000 2.448 348 D HA 0.052 4.684 4.640 -0.013 0.000 0.256 348 D C 0.909 177.287 176.300 0.129 0.000 1.108 348 D CA 0.517 54.599 54.000 0.137 0.000 0.848 348 D CB 0.757 41.607 40.800 0.084 0.000 1.281 348 D HN 0.100 nan 8.370 nan 0.000 0.509 349 A N 1.399 124.303 122.820 0.139 0.000 2.992 349 A HA 0.448 4.760 4.320 -0.013 0.000 0.263 349 A C -2.716 174.951 177.584 0.138 0.000 0.928 349 A CA -0.874 51.231 52.037 0.112 0.000 1.061 349 A CB 0.378 19.425 19.000 0.079 0.000 1.173 349 A HN 0.002 nan 8.150 nan 0.000 0.482 350 P HA 0.290 nan 4.420 nan 0.000 0.276 350 P C -0.701 176.678 177.300 0.131 0.000 1.243 350 P CA 0.285 63.528 63.100 0.239 0.000 0.768 350 P CB 0.722 32.633 31.700 0.353 0.000 0.856 351 K N 5.091 125.602 120.400 0.185 0.000 2.793 351 K HA 0.372 4.684 4.320 -0.013 0.000 0.269 351 K C -1.652 175.038 176.600 0.151 0.000 1.124 351 K CA -0.575 55.744 56.287 0.054 0.000 1.074 351 K CB 0.396 32.910 32.500 0.023 0.000 1.322 351 K HN 0.454 nan 8.250 nan 0.000 0.532 352 F N -1.471 118.395 119.950 -0.140 0.000 2.831 352 F HA 0.654 5.173 4.527 -0.013 0.000 0.318 352 F C -1.464 174.259 175.800 -0.128 0.000 1.174 352 F CA -0.913 57.009 58.000 -0.130 0.000 0.918 352 F CB 1.630 40.531 39.000 -0.165 0.000 1.364 352 F HN 0.010 nan 8.300 nan 0.000 0.475 353 T N 2.232 116.847 114.554 0.102 0.000 2.952 353 T HA 0.623 4.965 4.350 -0.013 0.000 0.305 353 T C -1.122 173.678 174.700 0.167 0.000 1.064 353 T CA -0.634 61.494 62.100 0.046 0.000 1.008 353 T CB 1.794 70.672 68.868 0.017 0.000 1.078 353 T HN 0.656 nan 8.240 nan 0.000 0.459 354 L N 3.324 124.626 121.223 0.131 0.000 2.317 354 L HA 0.686 5.018 4.340 -0.013 0.000 0.281 354 L C -0.784 176.131 176.870 0.076 0.000 1.024 354 L CA -1.082 53.823 54.840 0.109 0.000 0.810 354 L CB 1.380 43.509 42.059 0.117 0.000 1.240 354 L HN 0.548 nan 8.230 nan 0.000 0.427 355 I N 2.231 122.838 120.570 0.061 0.000 2.418 355 I HA 0.334 4.497 4.170 -0.013 0.000 0.287 355 I C -0.476 175.667 176.117 0.044 0.000 1.008 355 I CA -0.529 60.802 61.300 0.050 0.000 1.104 355 I CB 1.860 39.882 38.000 0.037 0.000 1.264 355 I HN 0.487 nan 8.210 nan 0.000 0.438 356 E N 6.995 127.223 120.200 0.046 0.000 2.171 356 E HA 0.680 5.022 4.350 -0.013 0.000 0.271 356 E C -1.106 175.513 176.600 0.032 0.000 0.916 356 E CA -0.787 55.638 56.400 0.041 0.000 0.774 356 E CB 2.776 32.505 29.700 0.050 0.000 1.128 356 E HN 0.308 nan 8.360 nan 0.000 0.403 357 L N 1.566 122.805 121.223 0.025 0.000 2.301 357 L HA 0.488 4.820 4.340 -0.013 0.000 0.264 357 L C -0.434 176.447 176.870 0.018 0.000 1.016 357 L CA -0.881 53.971 54.840 0.019 0.000 0.821 357 L CB 1.418 43.486 42.059 0.015 0.000 1.346 357 L HN 0.365 nan 8.230 nan 0.000 0.429 358 Q N 0.700 120.508 119.800 0.014 0.000 2.275 358 Q HA 0.370 4.702 4.340 -0.013 0.000 0.258 358 Q C -1.178 174.828 176.000 0.010 0.000 0.960 358 Q CA -0.584 55.227 55.803 0.014 0.000 0.801 358 Q CB 1.287 30.035 28.738 0.015 0.000 1.302 358 Q HN 0.408 nan 8.270 nan 0.000 0.433 359 K N 3.358 123.763 120.400 0.010 0.000 3.356 359 K HA -0.306 4.006 4.320 -0.013 0.000 0.270 359 K C 0.655 177.259 176.600 0.006 0.000 0.901 359 K CA 1.028 57.319 56.287 0.007 0.000 0.688 359 K CB -1.590 30.915 32.500 0.007 0.000 1.460 359 K HN 1.138 nan 8.250 nan 0.000 0.458 360 G N -0.076 108.728 108.800 0.006 0.000 2.383 360 G HA2 -0.375 3.577 3.960 -0.013 0.000 0.229 360 G HA3 -0.375 3.577 3.960 -0.013 0.000 0.229 360 G C 0.127 175.029 174.900 0.003 0.000 1.089 360 G CA 0.265 45.367 45.100 0.004 0.000 0.640 360 G HN 0.450 nan 8.290 nan 0.000 0.510 361 R N 1.474 121.976 120.500 0.003 0.000 2.389 361 R HA 0.444 4.776 4.340 -0.013 0.000 0.295 361 R C 0.790 177.092 176.300 0.004 0.000 1.075 361 R CA -0.591 55.509 56.100 0.001 0.000 1.005 361 R CB 0.007 30.308 30.300 0.000 0.000 0.987 361 R HN 0.310 nan 8.270 nan 0.000 0.452 362 I N 6.775 127.346 120.570 0.001 0.000 2.664 362 I HA -0.094 4.068 4.170 -0.013 0.000 0.284 362 I C 1.461 177.582 176.117 0.006 0.000 1.154 362 I CA 0.276 61.578 61.300 0.004 0.000 1.402 362 I CB 0.724 38.722 38.000 -0.004 0.000 1.395 362 I HN 0.579 nan 8.210 nan 0.000 0.545 363 V N 3.086 123.011 119.914 0.017 0.000 3.660 363 V HA 0.572 4.684 4.120 -0.013 0.000 0.276 363 V C 0.748 176.864 176.094 0.037 0.000 1.317 363 V CA 0.455 62.769 62.300 0.023 0.000 1.097 363 V CB -0.135 31.704 31.823 0.027 0.000 0.863 363 V HN 0.928 nan 8.190 nan 0.000 0.438 364 G N -1.166 107.659 108.800 0.042 0.000 2.320 364 G HA2 0.765 4.717 3.960 -0.013 0.000 0.296 364 G HA3 0.765 4.717 3.960 -0.013 0.000 0.296 364 G C -1.413 173.533 174.900 0.077 0.000 1.306 364 G CA 0.188 45.328 45.100 0.067 0.000 0.836 364 G HN 1.430 nan 8.290 nan 0.000 0.517 365 A N -0.971 121.919 122.820 0.116 0.000 2.596 365 A HA 0.776 5.089 4.320 -0.013 0.000 0.305 365 A C -0.490 177.207 177.584 0.187 0.000 1.032 365 A CA 0.330 52.447 52.037 0.133 0.000 0.776 365 A CB 0.804 19.877 19.000 0.122 0.000 1.253 365 A HN 1.554 nan 8.150 nan 0.000 0.402 366 T N 0.150 114.759 114.554 0.090 0.000 2.930 366 T HA 0.746 5.088 4.350 -0.013 0.000 0.290 366 T C -0.714 173.898 174.700 -0.146 0.000 1.052 366 T CA -0.528 61.548 62.100 -0.039 0.000 1.017 366 T CB 1.626 70.458 68.868 -0.061 0.000 1.137 366 T HN 1.140 nan 8.240 nan 0.000 0.511 367 C N 1.772 120.857 119.300 -0.359 0.000 2.642 367 C HA 0.591 5.043 4.460 -0.013 0.000 0.344 367 C C -0.613 174.038 174.990 -0.566 0.000 1.110 367 C CA -0.700 58.064 59.018 -0.423 0.000 1.298 367 C CB 0.930 28.453 27.740 -0.361 0.000 1.827 367 C HN 0.734 nan 8.230 nan 0.000 0.467 368 V N 5.347 124.762 119.914 -0.833 0.000 2.304 368 V HA 0.421 4.533 4.120 -0.013 0.000 0.278 368 V C -0.112 175.646 176.094 -0.561 0.000 1.018 368 V CA -0.242 61.557 62.300 -0.835 0.000 0.814 368 V CB 0.748 31.740 31.823 -1.384 0.000 1.021 368 V HN 0.980 nan 8.190 nan 0.000 0.440 369 N N 3.540 122.031 118.700 -0.349 0.000 2.815 369 N HA -0.200 4.532 4.740 -0.013 0.000 0.249 369 N C 0.211 175.611 175.510 -0.184 0.000 1.114 369 N CA 1.121 54.039 53.050 -0.220 0.000 0.717 369 N CB -1.347 37.041 38.487 -0.164 0.000 1.074 369 N HN 0.882 nan 8.380 nan 0.000 0.555 370 N N -0.970 117.605 118.700 -0.207 0.000 2.628 370 N HA 0.323 5.055 4.740 -0.013 0.000 0.299 370 N C 1.116 176.559 175.510 -0.112 0.000 1.834 370 N CA 0.474 53.438 53.050 -0.144 0.000 0.871 370 N CB 0.252 38.646 38.487 -0.156 0.000 1.377 370 N HN 0.256 nan 8.380 nan 0.000 0.493 371 A N 0.848 123.602 122.820 -0.110 0.000 1.915 371 A HA -0.247 4.065 4.320 -0.013 0.000 0.220 371 A C 2.081 179.657 177.584 -0.013 0.000 1.198 371 A CA 1.488 53.481 52.037 -0.073 0.000 0.647 371 A CB -0.411 18.542 19.000 -0.077 0.000 0.825 371 A HN 0.433 nan 8.150 nan 0.000 0.456 372 R N -0.131 120.352 120.500 -0.028 0.000 2.211 372 R HA -0.165 4.167 4.340 -0.013 0.000 0.240 372 R C 0.985 177.283 176.300 -0.003 0.000 1.144 372 R CA 1.895 57.984 56.100 -0.018 0.000 0.992 372 R CB -0.519 29.766 30.300 -0.025 0.000 0.869 372 R HN 0.570 nan 8.270 nan 0.000 0.462 373 D N -1.463 118.944 120.400 0.012 0.000 2.271 373 D HA -0.034 4.598 4.640 -0.013 0.000 0.206 373 D C 1.118 177.470 176.300 0.086 0.000 0.967 373 D CA 0.473 54.492 54.000 0.031 0.000 0.867 373 D CB -0.116 40.700 40.800 0.027 0.000 0.960 373 D HN 0.081 nan 8.370 nan 0.000 0.509 374 F N 2.134 122.019 119.950 -0.108 0.000 2.010 374 F HA -0.186 4.338 4.527 -0.004 0.000 0.296 374 F C 2.305 178.015 175.800 -0.151 0.000 1.146 374 F CA 1.436 59.359 58.000 -0.128 0.000 1.181 374 F CB -0.991 37.921 39.000 -0.148 0.000 0.965 374 F HN -0.032 nan 8.300 nan 0.000 0.480 375 A N 0.533 123.264 122.820 -0.148 0.000 1.896 375 A HA -0.243 4.069 4.320 -0.013 0.000 0.220 375 A C -0.102 177.343 177.584 -0.232 0.000 1.206 375 A CA 2.611 54.487 52.037 -0.268 0.000 0.647 375 A CB -2.335 16.571 19.000 -0.157 0.000 0.828 375 A HN 0.388 nan 8.150 nan 0.000 0.455 376 P HA -0.044 nan 4.420 nan 0.000 0.219 376 P C 1.409 178.637 177.300 -0.121 0.000 1.150 376 P CA 0.694 63.728 63.100 -0.109 0.000 0.814 376 P CB -0.085 31.577 31.700 -0.064 0.000 0.787 377 L N -1.098 120.048 121.223 -0.128 0.000 2.109 377 L HA -0.060 4.272 4.340 -0.013 0.000 0.207 377 L C 2.643 179.400 176.870 -0.187 0.000 1.086 377 L CA 1.162 55.935 54.840 -0.112 0.000 0.760 377 L CB -0.433 41.601 42.059 -0.041 0.000 0.910 377 L HN -0.142 nan 8.230 nan 0.000 0.437 378 R N -0.092 120.198 120.500 -0.350 0.000 2.127 378 R HA -0.209 4.123 4.340 -0.013 0.000 0.238 378 R C 2.355 178.512 176.300 -0.239 0.000 1.134 378 R CA 1.571 57.437 56.100 -0.390 0.000 0.975 378 R CB -0.248 29.654 30.300 -0.663 0.000 0.865 378 R HN 0.326 nan 8.270 nan 0.000 0.447 379 R N 0.737 121.117 120.500 -0.199 0.000 2.119 379 R HA -0.032 4.300 4.340 -0.013 0.000 0.222 379 R C 2.059 178.301 176.300 -0.097 0.000 1.088 379 R CA 0.757 56.776 56.100 -0.135 0.000 0.984 379 R CB -0.261 29.969 30.300 -0.117 0.000 0.884 379 R HN 0.086 nan 8.270 nan 0.000 0.447 380 L N 0.721 121.890 121.223 -0.091 0.000 2.012 380 L HA -0.211 4.122 4.340 -0.013 0.000 0.210 380 L C 2.320 179.154 176.870 -0.059 0.000 1.073 380 L CA 1.121 55.922 54.840 -0.064 0.000 0.748 380 L CB -0.581 41.446 42.059 -0.054 0.000 0.891 380 L HN 0.269 nan 8.230 nan 0.000 0.431 381 L N -0.021 121.159 121.223 -0.073 0.000 1.971 381 L HA -0.244 4.089 4.340 -0.013 0.000 0.215 381 L C 2.624 179.460 176.870 -0.056 0.000 1.072 381 L CA 2.228 57.032 54.840 -0.059 0.000 0.758 381 L CB -0.987 41.027 42.059 -0.074 0.000 0.889 381 L HN 0.222 nan 8.230 nan 0.000 0.433 382 A N -1.101 121.675 122.820 -0.073 0.000 2.032 382 A HA -0.164 4.148 4.320 -0.013 0.000 0.221 382 A C 1.835 179.389 177.584 -0.051 0.000 1.165 382 A CA 2.117 54.114 52.037 -0.066 0.000 0.645 382 A CB -1.094 17.860 19.000 -0.077 0.000 0.807 382 A HN 0.609 nan 8.150 nan 0.000 0.453 383 V N -4.028 115.859 119.914 -0.046 0.000 3.271 383 V HA 0.565 4.677 4.120 -0.013 0.000 0.327 383 V C 1.045 177.122 176.094 -0.028 0.000 1.389 383 V CA 0.096 62.376 62.300 -0.034 0.000 1.156 383 V CB -1.007 30.797 31.823 -0.031 0.000 1.103 383 V HN 1.359 nan 8.190 nan 0.000 0.453 384 G N 0.989 109.771 108.800 -0.029 0.000 2.393 384 G HA2 -0.071 3.881 3.960 -0.013 0.000 0.299 384 G HA3 -0.071 3.881 3.960 -0.013 0.000 0.299 384 G C 0.343 175.233 174.900 -0.017 0.000 0.990 384 G CA 0.402 45.489 45.100 -0.021 0.000 1.118 384 G HN 1.647 nan 8.290 nan 0.000 0.513 385 A N 0.040 122.848 122.820 -0.020 0.000 2.340 385 A HA 0.695 5.007 4.320 -0.013 0.000 0.268 385 A C 0.821 178.398 177.584 -0.011 0.000 1.100 385 A CA 0.014 52.041 52.037 -0.016 0.000 0.803 385 A CB 0.478 19.465 19.000 -0.021 0.000 1.043 385 A HN 0.771 nan 8.150 nan 0.000 0.488 386 K N 2.704 123.099 120.400 -0.008 0.000 2.459 386 K HA 0.390 4.702 4.320 -0.013 0.000 0.218 386 K C -2.774 173.823 176.600 -0.005 0.000 1.067 386 K CA -1.359 54.925 56.287 -0.005 0.000 1.045 386 K CB 0.240 32.738 32.500 -0.003 0.000 1.623 386 K HN 0.415 nan 8.250 nan 0.000 0.509 387 P HA 0.036 nan 4.420 nan 0.000 0.286 387 P C -0.664 176.634 177.300 -0.003 0.000 1.293 387 P CA -0.547 62.549 63.100 -0.006 0.000 0.770 387 P CB 0.465 32.160 31.700 -0.008 0.000 1.206 388 D N -0.506 119.892 120.400 -0.003 0.000 2.382 388 D HA 0.020 4.652 4.640 -0.013 0.000 0.259 388 D C 1.425 177.725 176.300 -0.000 0.000 1.224 388 D CA 0.129 54.128 54.000 -0.002 0.000 0.894 388 D CB 0.357 41.155 40.800 -0.002 0.000 1.127 388 D HN 0.142 nan 8.370 nan 0.000 0.487 389 R N 2.975 123.475 120.500 0.001 0.000 2.134 389 R HA -0.262 4.070 4.340 -0.013 0.000 0.248 389 R C 1.748 178.050 176.300 0.002 0.000 1.143 389 R CA 1.686 57.788 56.100 0.002 0.000 0.957 389 R CB -0.336 29.965 30.300 0.003 0.000 0.867 389 R HN 0.527 nan 8.270 nan 0.000 0.441 390 A N 0.386 123.207 122.820 0.001 0.000 2.066 390 A HA 0.069 4.381 4.320 -0.013 0.000 0.218 390 A C 2.195 179.779 177.584 0.001 0.000 1.157 390 A CA 1.266 53.304 52.037 0.001 0.000 0.670 390 A CB -0.190 18.810 19.000 0.001 0.000 0.804 390 A HN 0.408 nan 8.150 nan 0.000 0.453 391 A N -0.451 122.369 122.820 0.000 0.000 1.935 391 A HA 0.154 4.466 4.320 -0.013 0.000 0.214 391 A C 2.016 179.600 177.584 0.001 0.000 1.178 391 A CA 0.941 52.977 52.037 -0.001 0.000 0.640 391 A CB -0.464 18.535 19.000 -0.002 0.000 0.825 391 A HN 0.417 nan 8.150 nan 0.000 0.447 392 L N -0.676 120.548 121.223 0.001 0.000 2.127 392 L HA -0.200 4.132 4.340 -0.013 0.000 0.211 392 L C 2.640 179.514 176.870 0.006 0.000 1.089 392 L CA 1.124 55.966 54.840 0.004 0.000 0.757 392 L CB -0.158 41.904 42.059 0.005 0.000 0.899 392 L HN 0.438 nan 8.230 nan 0.000 0.434 393 A N -1.868 120.955 122.820 0.005 0.000 2.275 393 A HA -0.041 4.271 4.320 -0.013 0.000 0.212 393 A C 0.509 178.096 177.584 0.004 0.000 1.201 393 A CA -0.025 52.016 52.037 0.006 0.000 0.843 393 A CB -0.241 18.762 19.000 0.005 0.000 0.873 393 A HN 0.258 nan 8.150 nan 0.000 0.492 394 D N 0.621 121.022 120.400 0.003 0.000 2.441 394 D HA 0.230 4.862 4.640 -0.013 0.000 0.221 394 D C -1.591 174.711 176.300 0.003 0.000 1.156 394 D CA -2.335 51.666 54.000 0.002 0.000 0.896 394 D CB 1.109 41.910 40.800 0.001 0.000 1.028 394 D HN 0.059 nan 8.370 nan 0.000 0.509 395 P HA -0.142 nan 4.420 nan 0.000 0.222 395 P C 0.845 178.146 177.300 0.002 0.000 1.142 395 P CA 0.635 63.738 63.100 0.004 0.000 0.788 395 P CB 0.175 31.878 31.700 0.005 0.000 0.767 396 A N -0.890 121.930 122.820 0.001 0.000 2.167 396 A HA 0.031 4.343 4.320 -0.013 0.000 0.214 396 A C 1.135 178.718 177.584 -0.002 0.000 1.151 396 A CA 0.670 52.707 52.037 -0.001 0.000 0.735 396 A CB -1.199 17.800 19.000 -0.001 0.000 0.802 396 A HN 0.147 nan 8.150 nan 0.000 0.467 397 T N 2.068 116.621 114.554 -0.002 0.000 2.834 397 T HA 0.223 4.565 4.350 -0.013 0.000 0.298 397 T C -0.245 174.452 174.700 -0.004 0.000 0.966 397 T CA -0.134 61.964 62.100 -0.003 0.000 1.141 397 T CB 0.572 69.439 68.868 -0.002 0.000 0.905 397 T HN 0.470 nan 8.240 nan 0.000 0.535 398 D N 3.501 123.897 120.400 -0.007 0.000 2.193 398 D HA 0.127 4.759 4.640 -0.013 0.000 0.244 398 D C 0.741 177.034 176.300 -0.011 0.000 1.064 398 D CA -0.614 53.381 54.000 -0.009 0.000 0.845 398 D CB 1.173 41.966 40.800 -0.010 0.000 1.148 398 D HN 0.412 nan 8.370 nan 0.000 0.464 399 L N 2.973 124.189 121.223 -0.012 0.000 2.610 399 L HA -0.010 4.322 4.340 -0.013 0.000 0.232 399 L C 2.347 179.202 176.870 -0.024 0.000 1.149 399 L CA 0.130 54.961 54.840 -0.016 0.000 0.872 399 L CB -0.292 41.759 42.059 -0.013 0.000 0.992 399 L HN 0.358 nan 8.230 nan 0.000 0.447 400 R N 1.033 121.519 120.500 -0.024 0.000 2.064 400 R HA -0.036 4.296 4.340 -0.013 0.000 0.221 400 R C 2.056 178.340 176.300 -0.026 0.000 1.136 400 R CA 1.247 57.330 56.100 -0.029 0.000 0.980 400 R CB -0.125 30.159 30.300 -0.027 0.000 0.876 400 R HN 0.106 nan 8.270 nan 0.000 0.437 401 K N 0.614 121.002 120.400 -0.020 0.000 2.209 401 K HA -0.134 4.178 4.320 -0.013 0.000 0.204 401 K C 2.101 178.691 176.600 -0.018 0.000 1.048 401 K CA 1.401 57.678 56.287 -0.018 0.000 0.940 401 K CB -0.310 32.182 32.500 -0.014 0.000 0.729 401 K HN 0.245 nan 8.250 nan 0.000 0.451 402 L N 0.898 122.110 121.223 -0.018 0.000 2.023 402 L HA -0.118 4.214 4.340 -0.013 0.000 0.205 402 L C 2.531 179.386 176.870 -0.024 0.000 1.073 402 L CA 1.172 56.001 54.840 -0.018 0.000 0.745 402 L CB -0.388 41.662 42.059 -0.016 0.000 0.900 402 L HN 0.156 nan 8.230 nan 0.000 0.435 403 A N -0.058 122.744 122.820 -0.030 0.000 1.873 403 A HA -0.275 4.037 4.320 -0.013 0.000 0.218 403 A C 2.403 179.965 177.584 -0.036 0.000 1.193 403 A CA 2.202 54.215 52.037 -0.039 0.000 0.629 403 A CB -1.191 17.778 19.000 -0.052 0.000 0.826 403 A HN 0.578 nan 8.150 nan 0.000 0.447 404 A N -0.233 122.568 122.820 -0.032 0.000 1.845 404 A HA 0.251 4.563 4.320 -0.013 0.000 0.215 404 A C 2.269 179.840 177.584 -0.022 0.000 1.195 404 A CA 2.128 54.148 52.037 -0.028 0.000 0.616 404 A CB -1.367 17.618 19.000 -0.025 0.000 0.832 404 A HN 1.190 nan 8.150 nan 0.000 0.443 405 A N -0.334 122.474 122.820 -0.019 0.000 3.335 405 A HA 0.291 4.603 4.320 -0.013 0.000 0.166 405 A C 1.266 178.841 177.584 -0.015 0.000 0.723 405 A CA 0.769 52.797 52.037 -0.016 0.000 1.243 405 A CB -1.482 17.510 19.000 -0.014 0.000 0.875 405 A HN 0.805 nan 8.150 nan 0.000 0.508 406 V N 0.000 119.906 119.914 -0.013 0.000 2.409 406 V HA 0.000 4.112 4.120 -0.013 0.000 0.244 406 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 406 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556