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 3l7s_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMTKVSSLGY PRLGENREWK KLIEAYWAGK VSKNDLFAGA KELRLDFLKK DATA SEQUENCE QLNAGLDLIP VGDFSLYDHI LDLSVQFNII PKRFAKEPID IDLYFAIARG DATA SEQUENCE NXENVASSMK KWFNTNYHYI VPEWSKQRPK LNNNRLLDLY LEAREVVGDK DATA SEQUENCE AKPVITGPIT YVALSTGVED FTAAVKSLLP LYKQVFTELV KAGASYIQVD DATA SEQUENCE EPIFVTDEGK DYLQAAKAVY AYFAKEVPDA KFIFQTYFEG LIDSQVLSQL DATA SEQUENCE PVDAFGLDFV YGLEENLEAI KTGAFKGKEI FAGVIDGRNI WSSDFVKTSA DATA SEQUENCE LLETIEEQSA ALTIQPSCSL LHVPVTTKNE TDLDPVLRNG LAFADEKLTE DATA SEQUENCE VKRLAEHLDG REDPAYDLHI AHFDALQAAD FRNVKLEDLS RVATKRPSDF DATA SEQUENCE AKRRDIQQEK LHLPLLPTTT IGSFPQSXXI RRTRXAWXXG DISDAEYKQF DATA SEQUENCE IQAEIERWIR IQEDLDLDVL VHGEFERVDM VEFFGQKLAG FTTTKFGWVQ DATA SEQUENCE SYGSRAVKPP IIYGDVQHLE PITVEETVYA QSLTDRPVKG MLTGPITITN DATA SEQUENCE WSFERTDIPR DQLFNQIGLA IKDEIKLLEN AGIAIIQVDE AALREGLPLR DATA SEQUENCE KSKQKAYLDD AVHAFHIATS SVKDETQIHT HMCYSKFDEI IDAIRALDAD DATA SEQUENCE VISIETSRSH GDIIESFETA VYPLGIGLGV YDIHSPRVPT KEEVVANIER DATA SEQUENCE PLRQLSPTQF WVNPDCGLKT RQEPETIAAL KXLVAATKEV RQKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.571 174.600 -0.048 0.000 1.055 0 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 0 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 1 M N 2.670 122.244 119.600 -0.043 0.000 1.999 1 M HA 0.721 5.241 4.480 0.067 0.000 0.299 1 M C -0.432 175.836 176.300 -0.054 0.000 0.900 1 M CA -0.317 54.957 55.300 -0.043 0.000 0.904 1 M CB 0.285 32.868 32.600 -0.029 0.000 1.477 1 M HN 0.347 nan 8.290 nan 0.000 0.403 2 T N 3.202 117.714 114.554 -0.070 0.000 2.743 2 T HA 0.380 4.770 4.350 0.067 0.000 0.293 2 T C 0.387 175.024 174.700 -0.104 0.000 0.945 2 T CA -0.337 61.708 62.100 -0.092 0.000 1.030 2 T CB 0.260 69.069 68.868 -0.099 0.000 0.912 2 T HN 0.734 nan 8.240 nan 0.000 0.483 3 K N 2.000 122.317 120.400 -0.139 0.000 2.258 3 K HA 0.464 4.824 4.320 0.067 0.000 0.264 3 K C 0.125 176.618 176.600 -0.178 0.000 1.007 3 K CA -0.583 55.610 56.287 -0.158 0.000 0.941 3 K CB 0.853 33.223 32.500 -0.216 0.000 0.966 3 K HN 0.466 nan 8.250 nan 0.000 0.480 4 V N -1.649 118.189 119.914 -0.126 0.000 2.823 4 V HA 0.750 4.910 4.120 0.067 0.000 0.312 4 V C -0.541 175.518 176.094 -0.059 0.000 1.072 4 V CA -0.375 61.868 62.300 -0.096 0.000 0.937 4 V CB 1.932 33.725 31.823 -0.051 0.000 1.013 4 V HN 0.800 nan 8.190 nan 0.000 0.430 5 S N 2.319 118.008 115.700 -0.019 0.000 2.880 5 S HA 0.878 5.388 4.470 0.067 0.000 0.308 5 S C -0.789 173.857 174.600 0.077 0.000 1.195 5 S CA 0.149 58.378 58.200 0.049 0.000 0.866 5 S CB 1.801 65.081 63.200 0.134 0.000 1.254 5 S HN 1.838 nan 8.310 nan 0.000 0.571 6 S N -0.349 115.410 115.700 0.098 0.000 2.552 6 S HA 0.547 5.058 4.470 0.067 0.000 0.272 6 S C -0.567 174.081 174.600 0.080 0.000 1.150 6 S CA -0.506 57.748 58.200 0.090 0.000 0.849 6 S CB 1.089 64.340 63.200 0.085 0.000 1.113 6 S HN 0.487 nan 8.310 nan 0.000 0.458 7 L N 2.596 123.847 121.223 0.047 0.000 2.249 7 L HA 0.532 4.913 4.340 0.067 0.000 0.207 7 L C 1.375 178.235 176.870 -0.017 0.000 1.090 7 L CA 1.460 56.301 54.840 0.003 0.000 0.802 7 L CB -0.324 41.690 42.059 -0.075 0.000 0.947 7 L HN 0.812 nan 8.230 nan 0.000 0.453 8 G N -2.967 105.827 108.800 -0.010 0.000 2.495 8 G HA2 0.414 4.414 3.960 0.067 0.000 0.294 8 G HA3 0.414 4.414 3.960 0.067 0.000 0.294 8 G C -2.346 172.583 174.900 0.048 0.000 1.397 8 G CA -0.351 44.739 45.100 -0.016 0.000 0.790 8 G HN -0.263 nan 8.290 nan 0.000 0.486 9 Y N -0.073 120.135 120.300 -0.153 0.000 2.571 9 Y HA 0.643 5.238 4.550 0.074 0.000 0.341 9 Y C -2.495 173.220 175.900 -0.309 0.000 1.076 9 Y CA -1.818 56.164 58.100 -0.197 0.000 1.029 9 Y CB 2.644 41.010 38.460 -0.157 0.000 1.308 9 Y HN 0.502 nan 8.280 nan 0.000 0.461 10 P HA 0.234 nan 4.420 nan 0.000 0.269 10 P C -0.438 176.456 177.300 -0.678 0.000 1.215 10 P CA 0.194 62.848 63.100 -0.742 0.000 0.780 10 P CB 0.876 32.107 31.700 -0.782 0.000 0.898 11 R N 0.978 121.087 120.500 -0.653 0.000 2.223 11 R HA 0.180 4.560 4.340 0.067 0.000 0.198 11 R C 1.972 177.979 176.300 -0.490 0.000 0.984 11 R CA 0.377 56.062 56.100 -0.691 0.000 1.018 11 R CB -0.583 28.768 30.300 -1.582 0.000 0.945 11 R HN 0.378 nan 8.270 nan 0.000 0.479 12 L N 0.237 121.226 121.223 -0.390 0.000 2.043 12 L HA -0.064 4.316 4.340 0.067 0.000 0.212 12 L C 0.959 177.960 176.870 0.218 0.000 1.075 12 L CA 1.263 56.105 54.840 0.004 0.000 0.752 12 L CB -0.874 41.176 42.059 -0.016 0.000 0.891 12 L HN 0.461 nan 8.230 nan 0.000 0.432 13 G N -0.507 108.397 108.800 0.174 0.000 2.733 13 G HA2 -0.216 3.784 3.960 0.067 0.000 0.686 13 G HA3 -0.216 3.784 3.960 0.067 0.000 0.686 13 G C 0.229 175.228 174.900 0.165 0.000 1.373 13 G CA -0.079 45.212 45.100 0.318 0.000 0.838 13 G HN 0.308 nan 8.290 nan 0.000 0.588 14 E N 0.414 120.710 120.200 0.159 0.000 2.171 14 E HA -0.170 4.220 4.350 0.067 0.000 0.197 14 E C 1.503 178.138 176.600 0.058 0.000 0.997 14 E CA 1.693 58.144 56.400 0.085 0.000 0.810 14 E CB -0.007 29.720 29.700 0.045 0.000 0.738 14 E HN 0.506 nan 8.360 nan 0.000 0.467 15 N N -0.473 118.264 118.700 0.062 0.000 2.416 15 N HA 0.203 4.983 4.740 0.067 0.000 0.267 15 N C -0.942 174.598 175.510 0.049 0.000 1.294 15 N CA -0.169 52.913 53.050 0.052 0.000 0.891 15 N CB 0.713 39.202 38.487 0.003 0.000 1.238 15 N HN -0.032 nan 8.380 nan 0.000 0.508 16 R N 0.435 120.976 120.500 0.068 0.000 3.641 16 R HA -0.194 4.186 4.340 0.067 0.000 0.286 16 R C 0.744 177.084 176.300 0.068 0.000 1.153 16 R CA 0.862 56.988 56.100 0.044 0.000 0.775 16 R CB -1.382 28.836 30.300 -0.138 0.000 1.215 16 R HN 0.503 nan 8.270 nan 0.000 0.474 17 E N -0.152 120.116 120.200 0.113 0.000 2.153 17 E HA -0.242 4.148 4.350 0.067 0.000 0.194 17 E C 1.605 178.279 176.600 0.124 0.000 0.988 17 E CA 1.507 57.960 56.400 0.089 0.000 0.811 17 E CB -0.355 29.402 29.700 0.095 0.000 0.746 17 E HN 0.691 nan 8.360 nan 0.000 0.466 18 W N 3.059 124.382 121.300 0.038 0.000 2.355 18 W HA -0.178 4.530 4.660 0.081 0.000 0.309 18 W C 2.446 178.921 176.519 -0.074 0.000 1.206 18 W CA 2.408 59.779 57.345 0.044 0.000 1.284 18 W CB -0.082 29.456 29.460 0.130 0.000 1.145 18 W HN 0.048 nan 8.180 nan 0.000 0.502 19 K N 0.680 121.102 120.400 0.037 0.000 2.032 19 K HA -0.246 4.114 4.320 0.067 0.000 0.209 19 K C 2.048 178.440 176.600 -0.347 0.000 1.048 19 K CA 2.060 58.204 56.287 -0.240 0.000 0.927 19 K CB -0.349 32.094 32.500 -0.095 0.000 0.712 19 K HN 0.098 nan 8.250 nan 0.000 0.441 20 K N 0.462 120.732 120.400 -0.215 0.000 2.057 20 K HA -0.155 4.205 4.320 0.067 0.000 0.207 20 K C 2.154 178.594 176.600 -0.267 0.000 1.049 20 K CA 1.268 57.431 56.287 -0.207 0.000 0.931 20 K CB -0.229 32.199 32.500 -0.120 0.000 0.714 20 K HN 0.101 nan 8.250 nan 0.000 0.440 21 L N 1.524 122.586 121.223 -0.269 0.000 1.989 21 L HA -0.177 4.204 4.340 0.067 0.000 0.211 21 L C 1.920 178.528 176.870 -0.437 0.000 1.071 21 L CA 1.751 56.425 54.840 -0.278 0.000 0.749 21 L CB -0.222 41.710 42.059 -0.212 0.000 0.890 21 L HN 0.157 nan 8.230 nan 0.000 0.431 22 I N -1.173 118.970 120.570 -0.713 0.000 2.500 22 I HA -0.171 4.039 4.170 0.067 0.000 0.252 22 I C 2.266 177.462 176.117 -1.534 0.000 1.142 22 I CA 0.847 61.495 61.300 -1.087 0.000 1.451 22 I CB -0.517 36.711 38.000 -1.286 0.000 1.093 22 I HN 0.370 nan 8.210 nan 0.000 0.430 23 E N 1.349 120.875 120.200 -1.123 0.000 2.150 23 E HA -0.151 4.240 4.350 0.067 0.000 0.193 23 E C 2.332 178.710 176.600 -0.369 0.000 0.985 23 E CA 1.147 57.122 56.400 -0.708 0.000 0.814 23 E CB -0.017 29.471 29.700 -0.355 0.000 0.752 23 E HN 0.481 nan 8.360 nan 0.000 0.466 24 A N 0.530 123.147 122.820 -0.339 0.000 1.929 24 A HA -0.177 4.183 4.320 0.067 0.000 0.216 24 A C 1.946 179.431 177.584 -0.165 0.000 1.176 24 A CA 0.935 52.856 52.037 -0.193 0.000 0.628 24 A CB -0.566 18.341 19.000 -0.156 0.000 0.816 24 A HN 0.377 nan 8.150 nan 0.000 0.444 25 Y N -0.495 119.582 120.300 -0.371 0.000 2.163 25 Y HA -0.226 4.364 4.550 0.067 0.000 0.288 25 Y C 2.121 177.951 175.900 -0.116 0.000 1.136 25 Y CA 1.854 59.789 58.100 -0.274 0.000 1.147 25 Y CB -0.282 37.967 38.460 -0.352 0.000 0.987 25 Y HN 0.456 nan 8.280 nan 0.000 0.509 26 W N -0.022 121.186 121.300 -0.153 0.000 2.374 26 W HA -0.051 4.648 4.660 0.065 0.000 0.288 26 W C 2.429 178.828 176.519 -0.200 0.000 1.218 26 W CA 1.183 58.404 57.345 -0.208 0.000 1.245 26 W CB -1.469 27.880 29.460 -0.185 0.000 1.126 26 W HN 0.263 nan 8.180 nan 0.000 0.545 27 A N -0.202 122.634 122.820 0.028 0.000 2.238 27 A HA 0.393 4.754 4.320 0.067 0.000 0.208 27 A C 1.807 179.347 177.584 -0.073 0.000 1.177 27 A CA 1.037 53.066 52.037 -0.014 0.000 0.804 27 A CB -0.923 18.065 19.000 -0.020 0.000 0.823 27 A HN 0.512 nan 8.150 nan 0.000 0.482 28 G N -0.818 107.891 108.800 -0.152 0.000 2.221 28 G HA2 -0.263 3.737 3.960 0.067 0.000 0.265 28 G HA3 -0.263 3.737 3.960 0.067 0.000 0.265 28 G C 0.573 175.399 174.900 -0.124 0.000 1.041 28 G CA 0.812 45.807 45.100 -0.176 0.000 0.807 28 G HN 0.378 nan 8.290 nan 0.000 0.502 29 K N -0.999 119.331 120.400 -0.116 0.000 2.374 29 K HA 0.546 4.906 4.320 0.067 0.000 0.202 29 K C 0.346 176.909 176.600 -0.061 0.000 1.040 29 K CA 0.203 56.445 56.287 -0.075 0.000 1.085 29 K CB 1.169 33.629 32.500 -0.067 0.000 0.873 29 K HN 0.360 nan 8.250 nan 0.000 0.539 30 V N 1.389 121.268 119.914 -0.059 0.000 2.612 30 V HA 0.254 4.415 4.120 0.067 0.000 0.301 30 V C -0.483 175.665 176.094 0.090 0.000 1.059 30 V CA -1.151 61.156 62.300 0.010 0.000 0.886 30 V CB 1.857 33.693 31.823 0.021 0.000 1.007 30 V HN 0.260 nan 8.190 nan 0.000 0.426 31 S N 4.295 120.033 115.700 0.064 0.000 2.584 31 S HA 0.265 4.775 4.470 0.067 0.000 0.270 31 S C 1.030 175.707 174.600 0.127 0.000 1.346 31 S CA -0.280 57.977 58.200 0.095 0.000 1.018 31 S CB 0.866 64.099 63.200 0.054 0.000 0.899 31 S HN 0.690 nan 8.310 nan 0.000 0.542 32 K N 1.430 121.922 120.400 0.154 0.000 2.074 32 K HA -0.181 4.179 4.320 0.067 0.000 0.209 32 K C 2.137 178.668 176.600 -0.114 0.000 1.048 32 K CA 1.947 58.203 56.287 -0.051 0.000 0.926 32 K CB -0.486 32.105 32.500 0.151 0.000 0.713 32 K HN 0.646 nan 8.250 nan 0.000 0.444 33 N N 0.668 119.417 118.700 0.083 0.000 2.036 33 N HA -0.183 4.597 4.740 0.067 0.000 0.195 33 N C 1.318 176.858 175.510 0.050 0.000 1.037 33 N CA 1.446 54.569 53.050 0.121 0.000 0.855 33 N CB -0.089 38.452 38.487 0.090 0.000 1.033 33 N HN 0.177 nan 8.380 nan 0.000 0.423 34 D N 0.684 121.084 120.400 0.000 0.000 2.224 34 D HA -0.080 4.601 4.640 0.067 0.000 0.205 34 D C 1.929 178.183 176.300 -0.077 0.000 0.965 34 D CA 0.219 54.207 54.000 -0.021 0.000 0.852 34 D CB -0.209 40.582 40.800 -0.015 0.000 0.947 34 D HN 0.150 nan 8.370 nan 0.000 0.494 35 L N 0.107 121.216 121.223 -0.190 0.000 1.976 35 L HA -0.159 4.221 4.340 0.067 0.000 0.209 35 L C 1.913 178.625 176.870 -0.263 0.000 1.071 35 L CA 1.737 56.367 54.840 -0.350 0.000 0.746 35 L CB -0.942 40.672 42.059 -0.741 0.000 0.890 35 L HN -0.119 nan 8.230 nan 0.000 0.432 36 F N 0.196 120.116 119.950 -0.050 0.000 2.171 36 F HA -0.056 4.510 4.527 0.066 0.000 0.300 36 F C 2.562 178.342 175.800 -0.033 0.000 1.090 36 F CA 1.098 59.076 58.000 -0.036 0.000 1.293 36 F CB -1.620 37.354 39.000 -0.044 0.000 1.013 36 F HN 0.219 nan 8.300 nan 0.000 0.486 37 A N 0.397 123.293 122.820 0.127 0.000 1.898 37 A HA -0.001 4.359 4.320 0.067 0.000 0.216 37 A C 2.608 180.197 177.584 0.009 0.000 1.181 37 A CA 1.675 53.743 52.037 0.050 0.000 0.620 37 A CB -1.561 17.458 19.000 0.032 0.000 0.819 37 A HN 0.391 nan 8.150 nan 0.000 0.442 38 G N -0.405 108.396 108.800 0.002 0.000 2.418 38 G HA2 -0.017 3.984 3.960 0.067 0.000 0.217 38 G HA3 -0.017 3.984 3.960 0.067 0.000 0.217 38 G C 1.735 176.648 174.900 0.021 0.000 1.158 38 G CA 1.468 46.566 45.100 -0.005 0.000 0.771 38 G HN 0.800 nan 8.290 nan 0.000 0.545 39 A N 0.427 123.292 122.820 0.074 0.000 1.930 39 A HA 0.038 4.398 4.320 0.067 0.000 0.217 39 A C 2.205 179.716 177.584 -0.122 0.000 1.175 39 A CA 2.045 54.171 52.037 0.149 0.000 0.627 39 A CB -0.363 18.843 19.000 0.343 0.000 0.815 39 A HN 0.403 nan 8.150 nan 0.000 0.443 40 K N -0.113 120.235 120.400 -0.086 0.000 2.057 40 K HA -0.163 4.197 4.320 0.067 0.000 0.206 40 K C 1.883 178.346 176.600 -0.228 0.000 1.050 40 K CA 1.485 57.674 56.287 -0.164 0.000 0.935 40 K CB -0.167 32.285 32.500 -0.080 0.000 0.715 40 K HN 0.626 nan 8.250 nan 0.000 0.439 41 E N 0.697 120.795 120.200 -0.171 0.000 2.038 41 E HA -0.229 4.161 4.350 0.067 0.000 0.195 41 E C 2.134 178.540 176.600 -0.323 0.000 1.000 41 E CA 1.489 57.778 56.400 -0.186 0.000 0.803 41 E CB -0.168 29.465 29.700 -0.111 0.000 0.750 41 E HN 0.291 nan 8.360 nan 0.000 0.448 42 L N 0.543 121.535 121.223 -0.385 0.000 2.012 42 L HA -0.218 4.163 4.340 0.067 0.000 0.210 42 L C 2.700 178.711 176.870 -1.432 0.000 1.073 42 L CA 1.301 55.679 54.840 -0.769 0.000 0.748 42 L CB -0.403 41.449 42.059 -0.344 0.000 0.891 42 L HN 0.078 nan 8.230 nan 0.000 0.431 43 R N 0.029 119.915 120.500 -1.022 0.000 2.083 43 R HA -0.152 4.228 4.340 0.067 0.000 0.237 43 R C 2.261 178.252 176.300 -0.515 0.000 1.137 43 R CA 1.362 56.967 56.100 -0.825 0.000 0.951 43 R CB -0.502 29.387 30.300 -0.686 0.000 0.851 43 R HN 0.352 nan 8.270 nan 0.000 0.434 44 L N 0.519 121.502 121.223 -0.401 0.000 2.201 44 L HA -0.164 4.216 4.340 0.067 0.000 0.212 44 L C 2.316 179.044 176.870 -0.237 0.000 1.105 44 L CA 0.912 55.599 54.840 -0.254 0.000 0.775 44 L CB -0.633 41.310 42.059 -0.193 0.000 0.913 44 L HN 0.258 nan 8.230 nan 0.000 0.440 45 D N 0.791 120.989 120.400 -0.335 0.000 2.084 45 D HA -0.204 4.476 4.640 0.067 0.000 0.194 45 D C 2.125 178.374 176.300 -0.086 0.000 0.990 45 D CA 1.581 55.449 54.000 -0.221 0.000 0.826 45 D CB 0.059 40.703 40.800 -0.262 0.000 0.971 45 D HN 0.167 nan 8.370 nan 0.000 0.453 46 F N 1.119 120.985 119.950 -0.140 0.000 2.134 46 F HA -0.049 4.530 4.527 0.086 0.000 0.299 46 F C 2.634 178.234 175.800 -0.334 0.000 1.097 46 F CA 0.320 58.138 58.000 -0.303 0.000 1.264 46 F CB -1.310 37.539 39.000 -0.253 0.000 1.001 46 F HN -0.003 nan 8.300 nan 0.000 0.479 47 L N -0.324 120.859 121.223 -0.066 0.000 2.079 47 L HA -0.249 4.131 4.340 0.067 0.000 0.210 47 L C 2.534 179.353 176.870 -0.084 0.000 1.081 47 L CA 1.398 56.187 54.840 -0.086 0.000 0.752 47 L CB -0.701 41.304 42.059 -0.090 0.000 0.896 47 L HN 0.009 nan 8.230 nan 0.000 0.433 48 K N -0.381 119.971 120.400 -0.080 0.000 2.062 48 K HA -0.093 4.267 4.320 0.067 0.000 0.205 48 K C 2.023 178.594 176.600 -0.049 0.000 1.051 48 K CA 0.873 57.124 56.287 -0.060 0.000 0.941 48 K CB -0.263 32.204 32.500 -0.055 0.000 0.719 48 K HN 0.366 nan 8.250 nan 0.000 0.440 49 K N 0.830 121.198 120.400 -0.052 0.000 2.044 49 K HA -0.216 4.144 4.320 0.067 0.000 0.210 49 K C 2.558 179.119 176.600 -0.065 0.000 1.049 49 K CA 2.065 58.324 56.287 -0.046 0.000 0.927 49 K CB -0.178 32.291 32.500 -0.051 0.000 0.713 49 K HN 0.330 nan 8.250 nan 0.000 0.443 50 Q N 0.393 120.121 119.800 -0.121 0.000 2.167 50 Q HA -0.143 4.237 4.340 0.067 0.000 0.202 50 Q C 2.137 178.111 176.000 -0.043 0.000 0.970 50 Q CA 0.880 56.629 55.803 -0.090 0.000 0.855 50 Q CB -0.075 28.588 28.738 -0.125 0.000 0.911 50 Q HN 0.189 nan 8.270 nan 0.000 0.438 51 L N 1.205 122.402 121.223 -0.043 0.000 2.017 51 L HA -0.168 4.212 4.340 0.067 0.000 0.208 51 L C 1.540 178.400 176.870 -0.017 0.000 1.073 51 L CA 1.743 56.566 54.840 -0.027 0.000 0.745 51 L CB -0.440 41.600 42.059 -0.032 0.000 0.894 51 L HN 0.131 nan 8.230 nan 0.000 0.432 52 N N 0.288 118.979 118.700 -0.016 0.000 2.309 52 N HA -0.096 4.685 4.740 0.067 0.000 0.182 52 N C 1.760 177.273 175.510 0.004 0.000 1.018 52 N CA 1.302 54.349 53.050 -0.005 0.000 0.876 52 N CB -0.459 38.026 38.487 -0.003 0.000 0.972 52 N HN 0.538 nan 8.380 nan 0.000 0.434 53 A N 0.060 122.883 122.820 0.005 0.000 2.121 53 A HA 0.258 4.618 4.320 0.067 0.000 0.218 53 A C 1.598 179.192 177.584 0.017 0.000 1.154 53 A CA 1.371 53.419 52.037 0.019 0.000 0.679 53 A CB -0.382 18.633 19.000 0.025 0.000 0.795 53 A HN 0.370 nan 8.150 nan 0.000 0.458 54 G N -2.442 106.362 108.800 0.007 0.000 2.148 54 G HA2 -0.115 3.886 3.960 0.067 0.000 0.203 54 G HA3 -0.115 3.886 3.960 0.067 0.000 0.203 54 G C -0.167 174.732 174.900 -0.001 0.000 0.993 54 G CA -0.061 45.041 45.100 0.003 0.000 0.661 54 G HN 0.311 nan 8.290 nan 0.000 0.518 55 L N 1.655 122.878 121.223 0.000 0.000 2.490 55 L HA 0.298 4.678 4.340 0.067 0.000 0.274 55 L C 1.390 178.258 176.870 -0.002 0.000 1.201 55 L CA 0.711 55.551 54.840 -0.000 0.000 0.869 55 L CB 0.597 42.660 42.059 0.007 0.000 1.123 55 L HN 0.209 nan 8.230 nan 0.000 0.484 56 D N 2.756 123.149 120.400 -0.011 0.000 2.301 56 D HA 0.088 4.768 4.640 0.067 0.000 0.206 56 D C 0.137 176.444 176.300 0.011 0.000 0.979 56 D CA 0.918 54.914 54.000 -0.008 0.000 0.874 56 D CB 0.579 41.359 40.800 -0.033 0.000 0.968 56 D HN 0.272 nan 8.370 nan 0.000 0.510 57 L N 1.807 123.037 121.223 0.013 0.000 2.415 57 L HA 0.426 4.806 4.340 0.067 0.000 0.268 57 L C -0.716 176.191 176.870 0.062 0.000 0.984 57 L CA -0.421 54.449 54.840 0.049 0.000 0.853 57 L CB 2.284 44.369 42.059 0.043 0.000 1.215 57 L HN -0.272 nan 8.230 nan 0.000 0.419 58 I N 5.470 126.078 120.570 0.064 0.000 2.321 58 I HA 0.319 4.529 4.170 0.067 0.000 0.291 58 I C -1.969 174.192 176.117 0.073 0.000 0.998 58 I CA -1.977 59.354 61.300 0.051 0.000 1.227 58 I CB 1.791 39.806 38.000 0.024 0.000 1.368 58 I HN 0.293 nan 8.210 nan 0.000 0.466 59 P HA 0.068 nan 4.420 nan 0.000 0.267 59 P C -0.814 176.544 177.300 0.096 0.000 1.209 59 P CA 0.086 63.236 63.100 0.083 0.000 0.763 59 P CB 0.973 32.715 31.700 0.071 0.000 0.816 60 V N 3.085 123.071 119.914 0.121 0.000 2.525 60 V HA 0.662 4.823 4.120 0.067 0.000 0.299 60 V C 0.971 177.154 176.094 0.147 0.000 1.034 60 V CA 0.392 62.774 62.300 0.138 0.000 0.863 60 V CB 1.216 33.136 31.823 0.162 0.000 0.999 60 V HN 0.842 nan 8.190 nan 0.000 0.423 61 G N 3.582 112.472 108.800 0.150 0.000 2.624 61 G HA2 -0.162 3.839 3.960 0.067 0.000 0.190 61 G HA3 -0.162 3.839 3.960 0.067 0.000 0.190 61 G C 0.621 175.605 174.900 0.141 0.000 1.008 61 G CA 0.255 45.441 45.100 0.144 0.000 0.731 61 G HN 0.712 nan 8.290 nan 0.000 0.478 62 D N 0.448 120.920 120.400 0.120 0.000 2.277 62 D HA 0.073 4.753 4.640 0.067 0.000 0.208 62 D C 1.110 177.463 176.300 0.089 0.000 0.962 62 D CA -0.169 53.861 54.000 0.051 0.000 0.865 62 D CB -0.088 40.687 40.800 -0.041 0.000 0.939 62 D HN 0.345 nan 8.370 nan 0.000 0.510 63 F N 1.874 121.857 119.950 0.055 0.000 2.607 63 F HA 0.217 4.782 4.527 0.062 0.000 0.374 63 F C 0.197 176.070 175.800 0.122 0.000 1.104 63 F CA 0.285 58.335 58.000 0.083 0.000 1.296 63 F CB 0.830 39.919 39.000 0.149 0.000 1.085 63 F HN -0.150 nan 8.300 nan 0.000 0.584 64 S N 5.135 120.475 115.700 -0.601 0.000 2.579 64 S HA 0.465 4.975 4.470 0.067 0.000 0.272 64 S C 0.061 174.621 174.600 -0.067 0.000 1.141 64 S CA -0.907 57.190 58.200 -0.172 0.000 0.843 64 S CB 1.208 64.479 63.200 0.118 0.000 1.122 64 S HN 0.739 nan 8.310 nan 0.000 0.468 65 L N 2.247 123.626 121.223 0.260 0.000 2.591 65 L HA 0.301 4.681 4.340 0.067 0.000 0.228 65 L C 0.634 178.042 176.870 0.897 0.000 1.133 65 L CA 0.541 55.693 54.840 0.520 0.000 0.880 65 L CB -0.177 42.056 42.059 0.291 0.000 1.033 65 L HN 0.854 nan 8.230 nan 0.000 0.450 66 Y N -1.230 119.515 120.300 0.741 0.000 3.275 66 Y HA 0.103 4.695 4.550 0.070 0.000 0.179 66 Y C -0.811 175.395 175.900 0.509 0.000 1.009 66 Y CA -0.604 57.917 58.100 0.701 0.000 1.740 66 Y CB 0.912 39.778 38.460 0.677 0.000 1.412 66 Y HN 0.070 nan 8.280 nan 0.000 0.331 67 D N -0.937 119.866 120.400 0.673 0.000 2.837 67 D HA 0.182 4.863 4.640 0.067 0.000 0.220 67 D C 0.192 176.673 176.300 0.302 0.000 1.236 67 D CA -0.279 53.983 54.000 0.437 0.000 0.838 67 D CB 0.880 41.915 40.800 0.392 0.000 1.647 67 D HN 0.389 nan 8.370 nan 0.000 0.486 68 H N 3.105 122.321 119.070 0.244 0.000 2.529 68 H HA 0.023 4.621 4.556 0.069 0.000 0.277 68 H C 1.143 176.603 175.328 0.221 0.000 0.999 68 H CA 0.336 56.480 56.048 0.160 0.000 1.256 68 H CB 0.313 30.094 29.762 0.031 0.000 1.402 68 H HN 0.320 nan 8.280 nan 0.000 0.566 69 I N 0.946 121.547 120.570 0.052 0.000 2.400 69 I HA -0.150 4.060 4.170 0.067 0.000 0.248 69 I C 2.531 178.825 176.117 0.296 0.000 1.109 69 I CA 0.302 61.786 61.300 0.305 0.000 1.425 69 I CB -0.902 37.344 38.000 0.410 0.000 1.094 69 I HN 0.215 nan 8.210 nan 0.000 0.425 70 L N 1.602 122.945 121.223 0.199 0.000 2.042 70 L HA -0.232 4.148 4.340 0.067 0.000 0.210 70 L C 1.990 178.956 176.870 0.160 0.000 1.076 70 L CA 1.973 56.870 54.840 0.095 0.000 0.749 70 L CB -0.896 41.116 42.059 -0.079 0.000 0.893 70 L HN 0.163 nan 8.230 nan 0.000 0.432 71 D N -0.442 120.111 120.400 0.256 0.000 2.116 71 D HA -0.236 4.444 4.640 0.067 0.000 0.193 71 D C 2.300 178.567 176.300 -0.056 0.000 0.998 71 D CA 1.861 55.972 54.000 0.184 0.000 0.836 71 D CB -0.275 40.611 40.800 0.145 0.000 0.951 71 D HN 0.391 nan 8.370 nan 0.000 0.449 72 L N 0.415 121.565 121.223 -0.120 0.000 2.072 72 L HA -0.112 4.268 4.340 0.067 0.000 0.205 72 L C 2.530 179.160 176.870 -0.400 0.000 1.079 72 L CA 0.761 55.274 54.840 -0.546 0.000 0.752 72 L CB -0.484 41.281 42.059 -0.489 0.000 0.906 72 L HN -0.040 nan 8.230 nan 0.000 0.436 73 S N 0.075 115.790 115.700 0.024 0.000 2.369 73 S HA -0.200 4.310 4.470 0.067 0.000 0.225 73 S C 2.034 176.622 174.600 -0.020 0.000 1.043 73 S CA 1.641 59.906 58.200 0.108 0.000 1.074 73 S CB -0.436 62.850 63.200 0.142 0.000 0.962 73 S HN 0.171 nan 8.310 nan 0.000 0.433 74 V N 1.786 121.681 119.914 -0.031 0.000 2.343 74 V HA -0.208 3.952 4.120 0.067 0.000 0.247 74 V C 2.577 178.626 176.094 -0.074 0.000 1.051 74 V CA 2.032 64.315 62.300 -0.028 0.000 1.036 74 V CB -0.723 31.134 31.823 0.056 0.000 0.654 74 V HN 0.522 nan 8.190 nan 0.000 0.451 75 Q N -0.793 118.900 119.800 -0.179 0.000 2.170 75 Q HA -0.182 4.198 4.340 0.067 0.000 0.203 75 Q C 1.754 177.684 176.000 -0.117 0.000 0.976 75 Q CA 1.763 57.419 55.803 -0.245 0.000 0.858 75 Q CB 0.011 28.463 28.738 -0.477 0.000 0.907 75 Q HN 0.588 nan 8.270 nan 0.000 0.433 76 F N 0.300 120.157 119.950 -0.155 0.000 2.727 76 F HA 0.256 4.823 4.527 0.067 0.000 0.302 76 F C 0.746 176.447 175.800 -0.165 0.000 1.097 76 F CA 0.137 58.022 58.000 -0.192 0.000 1.330 76 F CB -0.467 38.373 39.000 -0.268 0.000 1.084 76 F HN 0.222 nan 8.300 nan 0.000 0.578 77 N N 0.799 119.515 118.700 0.027 0.000 2.818 77 N HA -0.172 4.608 4.740 0.067 0.000 0.250 77 N C -0.612 174.842 175.510 -0.094 0.000 1.108 77 N CA -0.080 52.952 53.050 -0.029 0.000 0.745 77 N CB -0.632 37.840 38.487 -0.026 0.000 1.104 77 N HN -0.090 nan 8.380 nan 0.000 0.557 78 I N 2.333 122.833 120.570 -0.116 0.000 2.191 78 I HA 0.258 4.468 4.170 0.067 0.000 0.289 78 I C 0.465 176.517 176.117 -0.108 0.000 1.141 78 I CA 0.146 61.306 61.300 -0.232 0.000 1.430 78 I CB -0.802 36.997 38.000 -0.334 0.000 1.497 78 I HN 0.134 nan 8.210 nan 0.000 0.636 79 I N 5.609 126.140 120.570 -0.065 0.000 2.377 79 I HA 0.321 4.531 4.170 0.067 0.000 0.293 79 I C -2.005 174.144 176.117 0.053 0.000 0.987 79 I CA -1.928 59.371 61.300 -0.000 0.000 1.185 79 I CB 1.494 39.504 38.000 0.017 0.000 1.341 79 I HN 0.127 nan 8.210 nan 0.000 0.455 80 P HA -0.075 nan 4.420 nan 0.000 0.264 80 P C 0.850 178.220 177.300 0.116 0.000 1.183 80 P CA -0.030 63.161 63.100 0.151 0.000 0.763 80 P CB 0.631 32.505 31.700 0.291 0.000 0.807 81 K N 4.790 125.216 120.400 0.044 0.000 2.052 81 K HA -0.262 4.098 4.320 0.067 0.000 0.215 81 K C 1.855 178.433 176.600 -0.036 0.000 1.053 81 K CA 2.332 58.624 56.287 0.008 0.000 0.934 81 K CB -1.023 31.474 32.500 -0.005 0.000 0.717 81 K HN 0.701 nan 8.250 nan 0.000 0.450 82 R N -1.484 118.937 120.500 -0.132 0.000 2.303 82 R HA -0.063 4.317 4.340 0.067 0.000 0.225 82 R C 1.231 177.284 176.300 -0.413 0.000 1.114 82 R CA 1.845 57.762 56.100 -0.305 0.000 1.007 82 R CB -0.467 29.559 30.300 -0.457 0.000 0.861 82 R HN 0.470 nan 8.270 nan 0.000 0.471 83 F N 0.134 120.072 119.950 -0.020 0.000 2.654 83 F HA 0.452 5.020 4.527 0.068 0.000 0.303 83 F C 1.967 177.759 175.800 -0.014 0.000 1.099 83 F CA -0.361 57.628 58.000 -0.019 0.000 1.270 83 F CB 0.711 39.694 39.000 -0.028 0.000 1.024 83 F HN 0.068 nan 8.300 nan 0.000 0.548 84 A N 0.541 123.425 122.820 0.107 0.000 2.015 84 A HA -0.097 4.263 4.320 0.067 0.000 0.219 84 A C 2.303 179.922 177.584 0.057 0.000 1.163 84 A CA 1.944 54.023 52.037 0.070 0.000 0.646 84 A CB -0.701 18.319 19.000 0.034 0.000 0.806 84 A HN 0.275 nan 8.150 nan 0.000 0.448 85 K N 0.382 120.814 120.400 0.054 0.000 2.400 85 K HA 0.129 4.489 4.320 0.067 0.000 0.194 85 K C 0.461 177.095 176.600 0.057 0.000 1.033 85 K CA 0.651 56.964 56.287 0.042 0.000 1.021 85 K CB -0.224 32.292 32.500 0.027 0.000 0.808 85 K HN 0.574 nan 8.250 nan 0.000 0.505 86 E N 1.256 121.508 120.200 0.087 0.000 2.354 86 E HA 0.222 4.612 4.350 0.067 0.000 0.269 86 E C -2.461 174.177 176.600 0.063 0.000 1.036 86 E CA -2.805 53.648 56.400 0.089 0.000 0.876 86 E CB 0.514 30.296 29.700 0.137 0.000 1.009 86 E HN 0.163 nan 8.360 nan 0.000 0.416 87 P HA 0.081 nan 4.420 nan 0.000 0.268 87 P C -0.306 177.015 177.300 0.036 0.000 1.204 87 P CA -0.168 62.957 63.100 0.041 0.000 0.768 87 P CB 0.261 31.987 31.700 0.043 0.000 0.842 88 I N 4.276 124.860 120.570 0.023 0.000 2.278 88 I HA 0.137 4.347 4.170 0.067 0.000 0.300 88 I C 0.774 176.897 176.117 0.010 0.000 1.174 88 I CA 0.654 61.961 61.300 0.012 0.000 1.347 88 I CB -1.038 36.964 38.000 0.002 0.000 1.473 88 I HN 0.369 nan 8.210 nan 0.000 0.595 89 D N 3.752 124.165 120.400 0.023 0.000 2.867 89 D HA 0.194 4.874 4.640 0.067 0.000 0.308 89 D C 1.067 177.386 176.300 0.032 0.000 1.202 89 D CA -0.731 53.286 54.000 0.028 0.000 1.035 89 D CB 0.383 41.218 40.800 0.058 0.000 1.427 89 D HN 0.054 nan 8.370 nan 0.000 0.570 90 I N 0.248 120.846 120.570 0.046 0.000 2.335 90 I HA -0.208 4.002 4.170 0.067 0.000 0.251 90 I C 0.446 176.584 176.117 0.035 0.000 1.129 90 I CA 1.696 62.977 61.300 -0.031 0.000 1.402 90 I CB -0.248 37.772 38.000 0.032 0.000 1.069 90 I HN 0.265 nan 8.210 nan 0.000 0.424 91 D N 0.595 121.089 120.400 0.156 0.000 2.149 91 D HA -0.147 4.534 4.640 0.067 0.000 0.201 91 D C 2.047 178.415 176.300 0.113 0.000 0.972 91 D CA 0.819 54.954 54.000 0.225 0.000 0.835 91 D CB -0.124 40.803 40.800 0.211 0.000 0.966 91 D HN 0.341 nan 8.370 nan 0.000 0.476 92 L N 0.140 121.389 121.223 0.043 0.000 2.093 92 L HA -0.156 4.225 4.340 0.067 0.000 0.208 92 L C 2.236 179.014 176.870 -0.154 0.000 1.085 92 L CA 1.446 56.247 54.840 -0.064 0.000 0.755 92 L CB -0.866 41.170 42.059 -0.039 0.000 0.904 92 L HN -0.015 nan 8.230 nan 0.000 0.435 93 Y N -0.472 119.696 120.300 -0.220 0.000 2.081 93 Y HA -0.325 4.264 4.550 0.065 0.000 0.280 93 Y C 2.091 177.820 175.900 -0.284 0.000 1.163 93 Y CA 2.264 60.184 58.100 -0.300 0.000 1.135 93 Y CB -0.453 37.768 38.460 -0.398 0.000 0.970 93 Y HN 0.221 nan 8.280 nan 0.000 0.498 94 F N -0.318 119.647 119.950 0.025 0.000 2.407 94 F HA 0.034 4.600 4.527 0.065 0.000 0.299 94 F C 2.452 178.049 175.800 -0.339 0.000 1.097 94 F CA 0.586 58.505 58.000 -0.136 0.000 1.422 94 F CB -1.276 37.820 39.000 0.161 0.000 1.067 94 F HN 0.180 nan 8.300 nan 0.000 0.539 95 A N 0.307 123.043 122.820 -0.139 0.000 1.930 95 A HA -0.105 4.255 4.320 0.067 0.000 0.217 95 A C 2.288 179.543 177.584 -0.548 0.000 1.175 95 A CA 1.319 53.195 52.037 -0.268 0.000 0.627 95 A CB -0.921 17.941 19.000 -0.229 0.000 0.815 95 A HN 0.335 nan 8.150 nan 0.000 0.443 96 I N -0.292 119.813 120.570 -0.776 0.000 2.252 96 I HA -0.249 3.961 4.170 0.067 0.000 0.245 96 I C 2.891 178.729 176.117 -0.465 0.000 1.102 96 I CA 1.074 61.934 61.300 -0.733 0.000 1.385 96 I CB -0.310 37.315 38.000 -0.626 0.000 1.064 96 I HN 0.351 nan 8.210 nan 0.000 0.414 97 A N 0.545 123.022 122.820 -0.572 0.000 1.968 97 A HA -0.075 4.285 4.320 0.067 0.000 0.217 97 A C 2.270 179.548 177.584 -0.510 0.000 1.169 97 A CA 1.331 52.939 52.037 -0.716 0.000 0.638 97 A CB -0.214 17.956 19.000 -1.383 0.000 0.812 97 A HN 0.384 nan 8.150 nan 0.000 0.446 98 R N -2.350 117.907 120.500 -0.405 0.000 2.521 98 R HA 0.359 4.739 4.340 0.067 0.000 0.289 98 R C 0.640 176.832 176.300 -0.180 0.000 0.936 98 R CA 0.389 56.296 56.100 -0.321 0.000 1.089 98 R CB 0.766 30.758 30.300 -0.514 0.000 1.348 98 R HN 0.634 nan 8.270 nan 0.000 0.536 99 G N 2.242 110.980 108.800 -0.104 0.000 2.814 99 G HA2 -0.258 3.742 3.960 0.067 0.000 0.677 99 G HA3 -0.258 3.742 3.960 0.067 0.000 0.677 99 G C -0.922 173.994 174.900 0.026 0.000 1.429 99 G CA -0.256 44.870 45.100 0.044 0.000 0.868 99 G HN 0.411 nan 8.290 nan 0.000 0.553 103 N N -0.145 118.503 118.700 -0.087 0.000 2.370 103 N HA 0.574 5.354 4.740 0.067 0.000 0.303 103 N C -0.100 175.387 175.510 -0.039 0.000 1.103 103 N CA -0.183 52.753 53.050 -0.190 0.000 0.848 103 N CB 3.087 41.202 38.487 -0.620 0.000 1.235 103 N HN 0.653 nan 8.380 nan 0.000 0.496 104 V N -0.353 119.530 119.914 -0.051 0.000 2.953 104 V HA 0.755 4.915 4.120 0.067 0.000 0.304 104 V C 0.541 176.705 176.094 0.117 0.000 1.073 104 V CA -0.922 61.388 62.300 0.016 0.000 1.064 104 V CB 0.762 32.575 31.823 -0.018 0.000 1.047 104 V HN 0.709 nan 8.190 nan 0.000 0.478 105 A N 2.804 125.661 122.820 0.062 0.000 2.386 105 A HA 0.558 4.918 4.320 0.067 0.000 0.248 105 A C 0.768 178.364 177.584 0.020 0.000 1.082 105 A CA -0.092 51.965 52.037 0.033 0.000 0.789 105 A CB -0.185 18.770 19.000 -0.076 0.000 1.025 105 A HN 1.129 nan 8.150 nan 0.000 0.490 106 S N 0.515 116.212 115.700 -0.005 0.000 2.569 106 S HA 0.223 4.733 4.470 0.067 0.000 0.274 106 S C 0.766 175.318 174.600 -0.079 0.000 1.353 106 S CA -0.219 57.964 58.200 -0.028 0.000 1.023 106 S CB 0.351 63.517 63.200 -0.058 0.000 0.876 106 S HN 0.744 nan 8.310 nan 0.000 0.540 107 S N 2.052 117.700 115.700 -0.086 0.000 2.601 107 S HA 0.469 4.979 4.470 0.067 0.000 0.271 107 S C 0.156 174.644 174.600 -0.186 0.000 1.305 107 S CA -0.666 57.458 58.200 -0.127 0.000 1.022 107 S CB 0.562 63.695 63.200 -0.112 0.000 0.940 107 S HN 0.684 nan 8.310 nan 0.000 0.525 108 M N 1.232 120.699 119.600 -0.222 0.000 2.578 108 M HA 0.683 5.203 4.480 0.067 0.000 0.321 108 M C -1.160 174.970 176.300 -0.282 0.000 1.182 108 M CA -0.604 54.527 55.300 -0.282 0.000 0.965 108 M CB 1.450 33.906 32.600 -0.241 0.000 1.694 108 M HN 0.318 nan 8.290 nan 0.000 0.461 109 K N 0.874 121.029 120.400 -0.407 0.000 2.444 109 K HA 0.443 4.803 4.320 0.067 0.000 0.252 109 K C -1.015 175.596 176.600 0.018 0.000 0.993 109 K CA -1.042 55.119 56.287 -0.211 0.000 0.847 109 K CB 2.693 35.042 32.500 -0.252 0.000 1.340 109 K HN 0.571 nan 8.250 nan 0.000 0.446 110 K N 1.130 121.575 120.400 0.076 0.000 2.448 110 K HA -0.031 4.330 4.320 0.067 0.000 0.278 110 K C -0.460 176.323 176.600 0.305 0.000 1.009 110 K CA -0.319 55.984 56.287 0.028 0.000 0.995 110 K CB 0.283 32.760 32.500 -0.038 0.000 0.917 110 K HN 0.591 nan 8.250 nan 0.000 0.481 111 W N 5.226 126.646 121.300 0.201 0.000 2.290 111 W HA 0.152 4.845 4.660 0.054 0.000 0.408 111 W C -0.557 176.146 176.519 0.306 0.000 0.966 111 W CA -0.838 56.732 57.345 0.375 0.000 1.579 111 W CB -0.994 28.884 29.460 0.697 0.000 1.662 111 W HN 0.824 nan 8.180 nan 0.000 0.341 112 F N 0.608 120.435 119.950 -0.205 0.000 2.271 112 F HA -0.495 4.074 4.527 0.070 0.000 0.306 112 F C 1.693 177.346 175.800 -0.245 0.000 1.484 112 F CA 2.477 60.303 58.000 -0.291 0.000 1.166 112 F CB -1.287 37.467 39.000 -0.410 0.000 3.762 112 F HN 0.423 nan 8.300 nan 0.000 0.149 113 N N 0.543 119.143 118.700 -0.168 0.000 2.234 113 N HA 0.167 4.947 4.740 0.067 0.000 0.227 113 N C -0.140 175.236 175.510 -0.222 0.000 1.151 113 N CA 0.664 53.605 53.050 -0.182 0.000 0.865 113 N CB -0.386 37.998 38.487 -0.172 0.000 1.066 113 N HN 0.784 nan 8.380 nan 0.000 0.515 114 T N -2.433 111.984 114.554 -0.228 0.000 2.810 114 T HA 0.175 4.565 4.350 0.067 0.000 0.277 114 T C 0.565 175.280 174.700 0.025 0.000 0.973 114 T CA -0.705 61.328 62.100 -0.111 0.000 0.949 114 T CB 1.125 69.974 68.868 -0.032 0.000 1.075 114 T HN 0.116 nan 8.240 nan 0.000 0.537 115 N N -0.539 118.216 118.700 0.092 0.000 2.276 115 N HA 0.021 4.801 4.740 0.067 0.000 0.212 115 N C -0.930 174.653 175.510 0.122 0.000 1.127 115 N CA -0.331 52.750 53.050 0.052 0.000 0.834 115 N CB 0.029 38.531 38.487 0.025 0.000 1.014 115 N HN 0.645 nan 8.380 nan 0.000 0.491 116 Y N 0.628 120.995 120.300 0.111 0.000 2.334 116 Y HA 0.288 4.883 4.550 0.075 0.000 0.328 116 Y C -0.852 175.114 175.900 0.110 0.000 1.130 116 Y CA -0.454 57.763 58.100 0.196 0.000 1.163 116 Y CB 0.670 39.308 38.460 0.297 0.000 1.207 116 Y HN 0.083 nan 8.280 nan 0.000 0.471 117 H N 4.879 123.636 119.070 -0.521 0.000 2.489 117 H HA 0.299 4.896 4.556 0.069 0.000 0.343 117 H C -1.199 173.867 175.328 -0.437 0.000 1.086 117 H CA -0.594 55.293 56.048 -0.268 0.000 1.198 117 H CB 0.801 30.456 29.762 -0.179 0.000 1.490 117 H HN 0.654 nan 8.280 nan 0.000 0.504 118 Y N 0.672 120.974 120.300 0.004 0.000 2.488 118 Y HA 0.553 5.142 4.550 0.066 0.000 0.325 118 Y C -0.759 175.189 175.900 0.080 0.000 1.204 118 Y CA -1.435 56.700 58.100 0.059 0.000 1.229 118 Y CB 0.913 39.532 38.460 0.264 0.000 1.274 118 Y HN 0.322 nan 8.280 nan 0.000 0.493 119 I N 3.657 124.260 120.570 0.054 0.000 2.312 119 I HA 0.149 4.359 4.170 0.067 0.000 0.291 119 I C -0.334 175.759 176.117 -0.041 0.000 1.031 119 I CA -0.869 60.392 61.300 -0.065 0.000 1.293 119 I CB 0.794 38.783 38.000 -0.018 0.000 1.403 119 I HN 0.507 nan 8.210 nan 0.000 0.484 120 V N 9.823 129.615 119.914 -0.203 0.000 2.485 120 V HA 0.085 4.245 4.120 0.067 0.000 0.287 120 V C -1.853 174.266 176.094 0.043 0.000 1.022 120 V CA -1.039 61.222 62.300 -0.064 0.000 1.067 120 V CB 0.135 31.882 31.823 -0.128 0.000 0.967 120 V HN 0.590 nan 8.190 nan 0.000 0.479 121 P HA 0.187 nan 4.420 nan 0.000 0.269 121 P C -0.482 176.911 177.300 0.154 0.000 1.209 121 P CA -0.105 63.063 63.100 0.114 0.000 0.776 121 P CB 0.497 32.251 31.700 0.089 0.000 0.876 122 E N 1.783 122.054 120.200 0.118 0.000 2.149 122 E HA 0.175 4.565 4.350 0.067 0.000 0.255 122 E C -0.913 175.779 176.600 0.152 0.000 0.888 122 E CA -0.462 56.026 56.400 0.148 0.000 0.742 122 E CB 0.563 30.318 29.700 0.093 0.000 1.164 122 E HN 0.395 nan 8.360 nan 0.000 0.422 123 W N 2.101 123.425 121.300 0.039 0.000 2.184 123 W HA 0.265 4.964 4.660 0.065 0.000 0.338 123 W C 1.025 177.566 176.519 0.037 0.000 1.257 123 W CA 0.194 57.567 57.345 0.047 0.000 1.243 123 W CB 1.095 30.576 29.460 0.035 0.000 1.122 123 W HN 0.530 nan 8.180 nan 0.000 0.585 124 S N -0.878 114.968 115.700 0.242 0.000 2.862 124 S HA 0.503 5.013 4.470 0.067 0.000 0.300 124 S C 0.857 175.536 174.600 0.131 0.000 1.240 124 S CA -0.220 58.072 58.200 0.153 0.000 1.025 124 S CB 0.488 63.739 63.200 0.086 0.000 1.340 124 S HN 0.381 nan 8.310 nan 0.000 0.544 125 K N -0.407 120.042 120.400 0.081 0.000 2.097 125 K HA 0.375 4.735 4.320 0.067 0.000 0.205 125 K C 1.565 178.195 176.600 0.050 0.000 1.050 125 K CA 2.086 58.413 56.287 0.066 0.000 0.938 125 K CB -2.029 30.498 32.500 0.045 0.000 0.718 125 K HN 1.423 nan 8.250 nan 0.000 0.442 126 Q N 1.105 120.922 119.800 0.028 0.000 2.283 126 Q HA 0.285 4.665 4.340 0.067 0.000 0.301 126 Q C 0.200 176.194 176.000 -0.010 0.000 1.063 126 Q CA 0.080 55.884 55.803 0.002 0.000 0.952 126 Q CB -0.493 28.235 28.738 -0.017 0.000 1.166 126 Q HN 0.620 nan 8.270 nan 0.000 0.381 127 R N 3.490 123.988 120.500 -0.004 0.000 2.390 127 R HA 0.451 4.831 4.340 0.067 0.000 0.291 127 R C -2.341 173.935 176.300 -0.040 0.000 1.070 127 R CA -1.158 54.939 56.100 -0.004 0.000 1.014 127 R CB 0.581 30.886 30.300 0.008 0.000 1.007 127 R HN 0.864 nan 8.270 nan 0.000 0.466 128 P HA 0.207 nan 4.420 nan 0.000 0.271 128 P C -0.677 176.592 177.300 -0.051 0.000 1.216 128 P CA -0.167 62.881 63.100 -0.087 0.000 0.776 128 P CB 0.431 32.067 31.700 -0.107 0.000 0.881 129 K N 0.906 121.287 120.400 -0.031 0.000 2.587 129 K HA 0.413 4.773 4.320 0.067 0.000 0.276 129 K C -1.341 175.271 176.600 0.021 0.000 0.956 129 K CA -0.950 55.329 56.287 -0.014 0.000 0.857 129 K CB 0.754 33.248 32.500 -0.010 0.000 1.431 129 K HN 0.093 nan 8.250 nan 0.000 0.420 130 L N 2.869 124.105 121.223 0.021 0.000 2.456 130 L HA 0.117 4.497 4.340 0.067 0.000 0.277 130 L C 0.343 177.220 176.870 0.011 0.000 1.124 130 L CA -0.421 54.444 54.840 0.041 0.000 0.880 130 L CB 0.107 42.179 42.059 0.022 0.000 1.192 130 L HN 0.664 nan 8.230 nan 0.000 0.463 131 N N 2.334 121.036 118.700 0.003 0.000 2.353 131 N HA -0.002 4.779 4.740 0.067 0.000 0.185 131 N C -0.235 175.257 175.510 -0.030 0.000 1.098 131 N CA 0.172 53.213 53.050 -0.015 0.000 0.872 131 N CB 0.027 38.503 38.487 -0.019 0.000 0.970 131 N HN 0.748 nan 8.380 nan 0.000 0.467 132 N N -1.602 117.076 118.700 -0.038 0.000 3.308 132 N HA 0.164 4.944 4.740 0.067 0.000 0.276 132 N C -1.365 174.116 175.510 -0.048 0.000 1.533 132 N CA -0.653 52.367 53.050 -0.050 0.000 0.878 132 N CB 0.118 38.563 38.487 -0.071 0.000 1.566 132 N HN -0.319 nan 8.380 nan 0.000 0.546 133 N N -0.419 118.251 118.700 -0.049 0.000 2.458 133 N HA 0.153 4.933 4.740 0.067 0.000 0.274 133 N C 0.749 176.236 175.510 -0.038 0.000 1.242 133 N CA -0.224 52.805 53.050 -0.036 0.000 0.904 133 N CB 0.501 38.974 38.487 -0.023 0.000 1.206 133 N HN 0.562 nan 8.380 nan 0.000 0.510 134 R N 0.434 120.898 120.500 -0.060 0.000 2.133 134 R HA -0.178 4.202 4.340 0.067 0.000 0.245 134 R C 1.566 177.859 176.300 -0.010 0.000 1.137 134 R CA 1.585 57.654 56.100 -0.053 0.000 0.947 134 R CB -0.155 30.097 30.300 -0.080 0.000 0.865 134 R HN 0.188 nan 8.270 nan 0.000 0.437 135 L N 0.742 121.961 121.223 -0.007 0.000 2.109 135 L HA -0.065 4.316 4.340 0.067 0.000 0.207 135 L C 2.201 179.122 176.870 0.085 0.000 1.086 135 L CA 1.284 56.149 54.840 0.041 0.000 0.760 135 L CB -0.586 41.490 42.059 0.029 0.000 0.910 135 L HN 0.323 nan 8.230 nan 0.000 0.437 136 L N -0.389 120.872 121.223 0.063 0.000 2.017 136 L HA -0.202 4.179 4.340 0.067 0.000 0.208 136 L C 2.043 178.981 176.870 0.114 0.000 1.073 136 L CA 1.930 56.834 54.840 0.105 0.000 0.745 136 L CB -0.962 41.134 42.059 0.062 0.000 0.894 136 L HN 0.289 nan 8.230 nan 0.000 0.432 137 D N -0.285 120.145 120.400 0.049 0.000 2.092 137 D HA -0.223 4.457 4.640 0.067 0.000 0.193 137 D C 2.343 178.659 176.300 0.025 0.000 0.994 137 D CA 1.852 55.862 54.000 0.016 0.000 0.828 137 D CB -0.382 40.404 40.800 -0.024 0.000 0.963 137 D HN 0.375 nan 8.370 nan 0.000 0.450 138 L N -0.228 121.025 121.223 0.050 0.000 2.079 138 L HA -0.230 4.150 4.340 0.067 0.000 0.210 138 L C 2.483 179.403 176.870 0.083 0.000 1.081 138 L CA 1.061 55.936 54.840 0.059 0.000 0.752 138 L CB -0.448 41.667 42.059 0.094 0.000 0.896 138 L HN 0.085 nan 8.230 nan 0.000 0.433 139 Y N 0.640 120.947 120.300 0.012 0.000 2.114 139 Y HA -0.239 4.349 4.550 0.065 0.000 0.284 139 Y C 2.332 178.233 175.900 0.002 0.000 1.143 139 Y CA 1.524 59.634 58.100 0.016 0.000 1.135 139 Y CB -0.348 38.129 38.460 0.029 0.000 0.980 139 Y HN -0.032 nan 8.280 nan 0.000 0.499 140 L N 0.270 121.422 121.223 -0.118 0.000 2.046 140 L HA -0.226 4.154 4.340 0.067 0.000 0.208 140 L C 2.607 179.363 176.870 -0.190 0.000 1.077 140 L CA 1.926 56.644 54.840 -0.203 0.000 0.747 140 L CB -0.687 41.341 42.059 -0.051 0.000 0.896 140 L HN 0.336 nan 8.230 nan 0.000 0.432 141 E N 0.473 120.600 120.200 -0.122 0.000 2.058 141 E HA -0.290 4.100 4.350 0.067 0.000 0.194 141 E C 2.218 178.734 176.600 -0.140 0.000 0.997 141 E CA 1.433 57.765 56.400 -0.113 0.000 0.801 141 E CB -0.035 29.612 29.700 -0.087 0.000 0.746 141 E HN 0.468 nan 8.360 nan 0.000 0.450 142 A N 1.317 124.046 122.820 -0.152 0.000 1.902 142 A HA -0.188 4.172 4.320 0.067 0.000 0.217 142 A C 2.165 179.634 177.584 -0.191 0.000 1.181 142 A CA 1.469 53.419 52.037 -0.145 0.000 0.623 142 A CB -0.522 18.423 19.000 -0.093 0.000 0.818 142 A HN 0.209 nan 8.150 nan 0.000 0.443 143 R N -0.683 119.626 120.500 -0.318 0.000 2.117 143 R HA -0.193 4.187 4.340 0.067 0.000 0.243 143 R C 2.224 178.423 176.300 -0.167 0.000 1.143 143 R CA 1.577 57.501 56.100 -0.294 0.000 0.968 143 R CB -0.331 29.723 30.300 -0.409 0.000 0.863 143 R HN 0.794 nan 8.270 nan 0.000 0.444 144 E N 0.425 120.537 120.200 -0.148 0.000 2.204 144 E HA -0.148 4.242 4.350 0.067 0.000 0.195 144 E C 1.541 178.089 176.600 -0.087 0.000 0.990 144 E CA 1.049 57.387 56.400 -0.103 0.000 0.821 144 E CB 0.306 29.950 29.700 -0.093 0.000 0.750 144 E HN 0.143 nan 8.360 nan 0.000 0.477 145 V N -0.063 119.794 119.914 -0.095 0.000 2.575 145 V HA -0.086 4.074 4.120 0.067 0.000 0.242 145 V C 2.013 178.068 176.094 -0.066 0.000 1.045 145 V CA 1.218 63.470 62.300 -0.079 0.000 1.065 145 V CB 1.053 32.824 31.823 -0.087 0.000 0.717 145 V HN 0.413 nan 8.190 nan 0.000 0.467 146 V N -3.001 116.870 119.914 -0.070 0.000 3.548 146 V HA 0.750 4.910 4.120 0.067 0.000 0.279 146 V C 1.030 177.100 176.094 -0.040 0.000 1.446 146 V CA 0.604 62.875 62.300 -0.048 0.000 1.023 146 V CB -0.227 31.574 31.823 -0.037 0.000 0.820 146 V HN 0.693 nan 8.190 nan 0.000 0.438 147 G N 1.631 110.394 108.800 -0.063 0.000 2.527 147 G HA2 -0.323 3.677 3.960 0.067 0.000 0.268 147 G HA3 -0.323 3.677 3.960 0.067 0.000 0.268 147 G C 0.215 175.104 174.900 -0.019 0.000 1.175 147 G CA 0.563 45.634 45.100 -0.049 0.000 0.962 147 G HN 0.389 nan 8.290 nan 0.000 0.560 148 D N 1.013 121.426 120.400 0.022 0.000 2.378 148 D HA 0.041 4.721 4.640 0.067 0.000 0.227 148 D C 2.234 178.594 176.300 0.100 0.000 1.012 148 D CA 0.910 54.956 54.000 0.075 0.000 0.905 148 D CB -0.013 40.828 40.800 0.069 0.000 0.895 148 D HN 0.559 nan 8.370 nan 0.000 0.532 149 K N 0.450 120.890 120.400 0.066 0.000 2.366 149 K HA 0.118 4.478 4.320 0.067 0.000 0.198 149 K C 0.918 177.576 176.600 0.097 0.000 1.044 149 K CA 0.029 56.358 56.287 0.070 0.000 0.973 149 K CB 0.354 32.875 32.500 0.034 0.000 0.767 149 K HN -0.033 nan 8.250 nan 0.000 0.475 150 A N 2.787 125.673 122.820 0.110 0.000 2.522 150 A HA -0.006 4.354 4.320 0.067 0.000 0.256 150 A C -0.134 177.615 177.584 0.274 0.000 1.086 150 A CA 0.270 52.407 52.037 0.167 0.000 0.763 150 A CB -0.030 19.030 19.000 0.100 0.000 1.024 150 A HN 0.127 nan 8.150 nan 0.000 0.502 151 K N 4.833 125.355 120.400 0.204 0.000 2.521 151 K HA 0.418 4.779 4.320 0.067 0.000 0.248 151 K C -2.979 173.709 176.600 0.146 0.000 0.978 151 K CA -2.071 54.317 56.287 0.168 0.000 0.947 151 K CB 1.243 33.820 32.500 0.130 0.000 1.165 151 K HN 0.329 nan 8.250 nan 0.000 0.445 152 P HA -0.087 nan 4.420 nan 0.000 0.266 152 P C -0.830 176.539 177.300 0.115 0.000 1.195 152 P CA -0.343 62.821 63.100 0.108 0.000 0.768 152 P CB 0.817 32.521 31.700 0.008 0.000 0.838 153 V N 2.421 122.415 119.914 0.134 0.000 2.823 153 V HA 0.825 4.985 4.120 0.067 0.000 0.312 153 V C -0.773 175.428 176.094 0.178 0.000 1.072 153 V CA -0.937 61.446 62.300 0.137 0.000 0.937 153 V CB 2.128 34.007 31.823 0.094 0.000 1.013 153 V HN 0.556 nan 8.190 nan 0.000 0.430 154 I N 1.656 122.363 120.570 0.229 0.000 2.842 154 I HA 0.458 4.668 4.170 0.067 0.000 0.296 154 I C -0.389 175.941 176.117 0.355 0.000 1.538 154 I CA -0.127 61.343 61.300 0.283 0.000 0.994 154 I CB 2.569 40.772 38.000 0.339 0.000 1.372 154 I HN 0.873 nan 8.210 nan 0.000 0.478 155 T N 4.821 119.616 114.554 0.401 0.000 2.814 155 T HA 0.358 4.748 4.350 0.067 0.000 0.297 155 T C 0.470 175.495 174.700 0.540 0.000 0.956 155 T CA 0.061 62.450 62.100 0.482 0.000 1.123 155 T CB 0.830 70.053 68.868 0.591 0.000 0.902 155 T HN 0.729 nan 8.240 nan 0.000 0.528 156 G N 3.846 112.906 108.800 0.434 0.000 2.664 156 G HA2 0.257 4.257 3.960 0.067 0.000 0.242 156 G HA3 0.257 4.257 3.960 0.067 0.000 0.242 156 G C -1.507 173.558 174.900 0.276 0.000 1.225 156 G CA -1.289 44.013 45.100 0.337 0.000 0.849 156 G HN 0.391 nan 8.290 nan 0.000 0.581 157 P HA -0.084 nan 4.420 nan 0.000 0.216 157 P C 1.990 179.364 177.300 0.123 0.000 1.153 157 P CA 0.825 63.928 63.100 0.005 0.000 0.848 157 P CB 0.154 31.663 31.700 -0.319 0.000 0.787 158 I N -1.100 119.533 120.570 0.105 0.000 2.179 158 I HA -0.232 3.978 4.170 0.067 0.000 0.242 158 I C 2.111 178.295 176.117 0.112 0.000 1.088 158 I CA 1.777 63.131 61.300 0.091 0.000 1.357 158 I CB -1.380 36.790 38.000 0.284 0.000 1.051 158 I HN -0.011 nan 8.210 nan 0.000 0.409 159 T N 0.041 114.711 114.554 0.193 0.000 2.746 159 T HA -0.250 4.141 4.350 0.067 0.000 0.267 159 T C 1.798 176.634 174.700 0.227 0.000 1.039 159 T CA 1.551 63.764 62.100 0.188 0.000 1.142 159 T CB -0.492 68.522 68.868 0.242 0.000 0.866 159 T HN 0.352 nan 8.240 nan 0.000 0.444 160 Y N 1.843 122.275 120.300 0.220 0.000 2.128 160 Y HA -0.196 4.393 4.550 0.065 0.000 0.284 160 Y C 2.281 178.311 175.900 0.217 0.000 1.154 160 Y CA 1.021 59.293 58.100 0.286 0.000 1.149 160 Y CB -0.604 38.106 38.460 0.417 0.000 0.976 160 Y HN -0.019 nan 8.280 nan 0.000 0.505 161 V N 0.349 120.327 119.914 0.107 0.000 2.358 161 V HA -0.304 3.856 4.120 0.067 0.000 0.246 161 V C 2.657 178.672 176.094 -0.131 0.000 1.047 161 V CA 1.772 63.943 62.300 -0.215 0.000 1.035 161 V CB -1.549 29.869 31.823 -0.677 0.000 0.658 161 V HN 0.572 nan 8.190 nan 0.000 0.452 162 A N -0.526 122.331 122.820 0.061 0.000 2.019 162 A HA -0.110 4.250 4.320 0.067 0.000 0.219 162 A C 1.943 179.550 177.584 0.038 0.000 1.164 162 A CA 1.436 53.565 52.037 0.153 0.000 0.644 162 A CB -0.405 18.672 19.000 0.129 0.000 0.805 162 A HN 0.431 nan 8.150 nan 0.000 0.449 163 L N -0.010 121.207 121.223 -0.010 0.000 2.599 163 L HA 0.178 4.558 4.340 0.067 0.000 0.230 163 L C 0.916 177.856 176.870 0.117 0.000 1.141 163 L CA 0.504 55.350 54.840 0.010 0.000 0.877 163 L CB -0.554 41.423 42.059 -0.137 0.000 1.009 163 L HN 0.143 nan 8.230 nan 0.000 0.447 164 S N -1.606 114.100 115.700 0.011 0.000 2.693 164 S HA 0.570 5.080 4.470 0.067 0.000 0.276 164 S C 0.327 174.961 174.600 0.057 0.000 1.192 164 S CA -0.457 57.772 58.200 0.048 0.000 0.994 164 S CB 1.499 64.727 63.200 0.047 0.000 1.012 164 S HN 0.136 nan 8.310 nan 0.000 0.550 165 T N 0.271 114.891 114.554 0.111 0.000 2.924 165 T HA 0.618 5.008 4.350 0.067 0.000 0.291 165 T C 0.946 175.720 174.700 0.124 0.000 1.045 165 T CA 0.272 62.420 62.100 0.080 0.000 1.015 165 T CB 1.375 70.279 68.868 0.061 0.000 1.103 165 T HN 1.000 nan 8.240 nan 0.000 0.496 166 G N 0.673 109.520 108.800 0.078 0.000 2.176 166 G HA2 -0.248 3.753 3.960 0.067 0.000 0.253 166 G HA3 -0.248 3.753 3.960 0.067 0.000 0.253 166 G C 0.214 175.159 174.900 0.076 0.000 0.979 166 G CA -0.006 45.156 45.100 0.103 0.000 0.641 166 G HN 0.804 nan 8.290 nan 0.000 0.530 167 V N 2.120 122.006 119.914 -0.046 0.000 2.450 167 V HA 0.287 4.448 4.120 0.067 0.000 0.281 167 V C 1.616 177.658 176.094 -0.086 0.000 1.019 167 V CA 1.184 63.363 62.300 -0.202 0.000 1.062 167 V CB 0.930 32.482 31.823 -0.452 0.000 0.979 167 V HN 0.750 nan 8.190 nan 0.000 0.477 168 E N 3.202 123.371 120.200 -0.051 0.000 2.086 168 E HA -0.029 4.361 4.350 0.067 0.000 0.190 168 E C 0.569 177.160 176.600 -0.015 0.000 0.975 168 E CA 0.485 56.878 56.400 -0.013 0.000 0.813 168 E CB 0.411 30.118 29.700 0.012 0.000 0.768 168 E HN 0.635 nan 8.360 nan 0.000 0.457 169 D N -0.740 119.634 120.400 -0.045 0.000 2.542 169 D HA 0.064 4.744 4.640 0.067 0.000 0.252 169 D C -0.491 175.774 176.300 -0.058 0.000 1.222 169 D CA -0.600 53.389 54.000 -0.018 0.000 0.895 169 D CB 1.026 41.819 40.800 -0.012 0.000 1.207 169 D HN 0.036 nan 8.370 nan 0.000 0.558 170 F N 2.956 122.820 119.950 -0.143 0.000 2.043 170 F HA -0.271 4.295 4.527 0.066 0.000 0.297 170 F C 2.565 178.248 175.800 -0.196 0.000 1.121 170 F CA 2.666 60.546 58.000 -0.200 0.000 1.199 170 F CB -0.220 38.696 39.000 -0.141 0.000 0.968 170 F HN 0.471 nan 8.300 nan 0.000 0.478 171 T N -1.432 113.152 114.554 0.050 0.000 2.867 171 T HA -0.087 4.303 4.350 0.067 0.000 0.268 171 T C 2.064 176.681 174.700 -0.138 0.000 1.057 171 T CA 0.995 63.073 62.100 -0.036 0.000 1.136 171 T CB -1.057 67.845 68.868 0.057 0.000 0.874 171 T HN 0.298 nan 8.240 nan 0.000 0.466 172 A N 1.757 124.509 122.820 -0.113 0.000 1.930 172 A HA 0.399 4.760 4.320 0.067 0.000 0.217 172 A C 2.817 180.321 177.584 -0.134 0.000 1.175 172 A CA 1.695 53.674 52.037 -0.097 0.000 0.627 172 A CB -1.343 17.627 19.000 -0.051 0.000 0.815 172 A HN 0.745 nan 8.150 nan 0.000 0.443 173 A N -0.503 122.154 122.820 -0.272 0.000 1.873 173 A HA 0.008 4.368 4.320 0.067 0.000 0.215 173 A C 2.230 179.652 177.584 -0.269 0.000 1.186 173 A CA 1.728 53.523 52.037 -0.403 0.000 0.616 173 A CB -1.015 17.348 19.000 -1.062 0.000 0.823 173 A HN 0.362 nan 8.150 nan 0.000 0.442 174 V N 0.418 120.080 119.914 -0.420 0.000 2.287 174 V HA -0.309 3.851 4.120 0.067 0.000 0.248 174 V C 2.586 178.553 176.094 -0.212 0.000 1.053 174 V CA 2.505 64.611 62.300 -0.324 0.000 1.027 174 V CB -0.651 30.920 31.823 -0.421 0.000 0.646 174 V HN 0.688 nan 8.190 nan 0.000 0.447 175 K N 0.505 120.782 120.400 -0.206 0.000 2.103 175 K HA -0.200 4.160 4.320 0.067 0.000 0.207 175 K C 2.323 178.834 176.600 -0.149 0.000 1.048 175 K CA 1.789 57.953 56.287 -0.206 0.000 0.930 175 K CB -0.229 32.176 32.500 -0.159 0.000 0.716 175 K HN 0.652 nan 8.250 nan 0.000 0.444 176 S N 0.495 116.160 115.700 -0.058 0.000 2.442 176 S HA -0.100 4.410 4.470 0.067 0.000 0.236 176 S C 1.869 176.458 174.600 -0.018 0.000 1.007 176 S CA 0.809 59.009 58.200 0.001 0.000 0.965 176 S CB -0.313 62.951 63.200 0.106 0.000 0.773 176 S HN 0.315 nan 8.310 nan 0.000 0.504 177 L N 0.453 121.666 121.223 -0.016 0.000 2.375 177 L HA 0.199 4.579 4.340 0.067 0.000 0.215 177 L C 2.360 179.215 176.870 -0.025 0.000 1.108 177 L CA 0.245 55.049 54.840 -0.059 0.000 0.830 177 L CB -0.484 41.607 42.059 0.053 0.000 0.959 177 L HN 0.287 nan 8.230 nan 0.000 0.457 178 L N 0.400 121.557 121.223 -0.110 0.000 2.013 178 L HA -0.199 4.181 4.340 0.067 0.000 0.212 178 L C -0.142 176.789 176.870 0.103 0.000 1.073 178 L CA 1.795 56.543 54.840 -0.152 0.000 0.753 178 L CB -1.930 39.659 42.059 -0.783 0.000 0.890 178 L HN 0.255 nan 8.230 nan 0.000 0.432 179 P HA -0.144 nan 4.420 nan 0.000 0.217 179 P C 1.744 179.082 177.300 0.063 0.000 1.150 179 P CA 1.064 64.242 63.100 0.130 0.000 0.832 179 P CB 0.092 31.825 31.700 0.055 0.000 0.787 180 L N -2.162 119.021 121.223 -0.066 0.000 1.994 180 L HA -0.170 4.210 4.340 0.067 0.000 0.208 180 L C 2.458 179.184 176.870 -0.240 0.000 1.071 180 L CA 1.897 56.613 54.840 -0.207 0.000 0.745 180 L CB -1.885 39.869 42.059 -0.508 0.000 0.892 180 L HN -0.052 nan 8.230 nan 0.000 0.431 181 Y N -0.165 119.940 120.300 -0.325 0.000 2.193 181 Y HA -0.284 4.305 4.550 0.065 0.000 0.285 181 Y C 2.680 178.290 175.900 -0.484 0.000 1.166 181 Y CA 1.544 59.326 58.100 -0.530 0.000 1.181 181 Y CB -0.309 37.901 38.460 -0.417 0.000 0.976 181 Y HN 0.102 nan 8.280 nan 0.000 0.520 182 K N 0.600 121.102 120.400 0.169 0.000 2.009 182 K HA -0.307 4.053 4.320 0.067 0.000 0.210 182 K C 2.195 178.871 176.600 0.127 0.000 1.049 182 K CA 2.068 58.516 56.287 0.269 0.000 0.929 182 K CB -0.390 32.328 32.500 0.363 0.000 0.714 182 K HN 0.445 nan 8.250 nan 0.000 0.440 183 Q N 0.409 120.243 119.800 0.056 0.000 2.050 183 Q HA -0.139 4.241 4.340 0.067 0.000 0.202 183 Q C 2.031 178.032 176.000 0.000 0.000 0.980 183 Q CA 1.701 57.522 55.803 0.030 0.000 0.840 183 Q CB 0.041 28.785 28.738 0.011 0.000 0.898 183 Q HN 0.116 nan 8.270 nan 0.000 0.424 184 V N 0.633 120.494 119.914 -0.087 0.000 2.255 184 V HA -0.269 3.891 4.120 0.067 0.000 0.247 184 V C 2.129 178.222 176.094 -0.002 0.000 1.051 184 V CA 1.941 64.172 62.300 -0.114 0.000 1.018 184 V CB -0.752 30.904 31.823 -0.278 0.000 0.641 184 V HN 0.372 nan 8.190 nan 0.000 0.445 185 F N 0.585 120.558 119.950 0.038 0.000 2.171 185 F HA -0.129 4.437 4.527 0.065 0.000 0.300 185 F C 2.631 178.423 175.800 -0.012 0.000 1.090 185 F CA 1.638 59.652 58.000 0.024 0.000 1.293 185 F CB -1.709 37.349 39.000 0.096 0.000 1.013 185 F HN 0.106 nan 8.300 nan 0.000 0.486 186 T N -0.494 114.175 114.554 0.193 0.000 2.777 186 T HA -0.159 4.231 4.350 0.067 0.000 0.266 186 T C 1.841 176.573 174.700 0.053 0.000 1.040 186 T CA 1.533 63.694 62.100 0.102 0.000 1.141 186 T CB -0.233 68.686 68.868 0.086 0.000 0.868 186 T HN 0.286 nan 8.240 nan 0.000 0.444 187 E N 0.728 120.956 120.200 0.048 0.000 2.051 187 E HA -0.061 4.329 4.350 0.067 0.000 0.192 187 E C 2.242 178.851 176.600 0.016 0.000 0.991 187 E CA 0.868 57.287 56.400 0.032 0.000 0.799 187 E CB -0.293 29.424 29.700 0.029 0.000 0.748 187 E HN 0.384 nan 8.360 nan 0.000 0.449 188 L N 0.499 121.714 121.223 -0.014 0.000 2.012 188 L HA -0.214 4.166 4.340 0.067 0.000 0.210 188 L C 2.481 179.241 176.870 -0.184 0.000 1.073 188 L CA 0.861 55.606 54.840 -0.158 0.000 0.748 188 L CB -0.424 41.519 42.059 -0.192 0.000 0.891 188 L HN 0.074 nan 8.230 nan 0.000 0.431 189 V N -0.497 119.355 119.914 -0.103 0.000 2.343 189 V HA -0.319 3.841 4.120 0.067 0.000 0.247 189 V C 2.742 178.817 176.094 -0.032 0.000 1.051 189 V CA 1.968 64.211 62.300 -0.094 0.000 1.036 189 V CB -0.518 31.253 31.823 -0.088 0.000 0.654 189 V HN 0.350 nan 8.190 nan 0.000 0.451 190 K N 0.068 120.466 120.400 -0.003 0.000 2.147 190 K HA -0.060 4.300 4.320 0.067 0.000 0.205 190 K C 2.033 178.664 176.600 0.051 0.000 1.049 190 K CA 1.316 57.615 56.287 0.021 0.000 0.936 190 K CB -0.669 31.846 32.500 0.024 0.000 0.722 190 K HN 0.659 nan 8.250 nan 0.000 0.446 191 A N -1.305 121.568 122.820 0.088 0.000 2.238 191 A HA 0.394 4.754 4.320 0.067 0.000 0.208 191 A C 1.632 179.379 177.584 0.271 0.000 1.177 191 A CA 1.092 53.240 52.037 0.185 0.000 0.804 191 A CB -0.414 18.762 19.000 0.294 0.000 0.823 191 A HN 1.016 nan 8.150 nan 0.000 0.482 192 G N -2.513 106.393 108.800 0.177 0.000 2.227 192 G HA2 0.203 4.203 3.960 0.067 0.000 0.168 192 G HA3 0.203 4.203 3.960 0.067 0.000 0.168 192 G C 0.393 175.384 174.900 0.152 0.000 1.006 192 G CA -0.017 45.183 45.100 0.168 0.000 0.684 192 G HN 1.400 nan 8.290 nan 0.000 0.489 193 A N 0.234 123.058 122.820 0.007 0.000 2.445 193 A HA 0.816 5.176 4.320 0.067 0.000 0.242 193 A C 1.187 178.699 177.584 -0.121 0.000 1.075 193 A CA 1.512 53.463 52.037 -0.143 0.000 0.777 193 A CB 1.100 19.778 19.000 -0.538 0.000 1.013 193 A HN 1.096 nan 8.150 nan 0.000 0.493 194 S N 0.328 115.972 115.700 -0.093 0.000 3.393 194 S HA 0.250 4.761 4.470 0.067 0.000 0.209 194 S C -0.085 174.344 174.600 -0.285 0.000 0.897 194 S CA -0.088 57.995 58.200 -0.196 0.000 0.825 194 S CB -0.339 62.763 63.200 -0.163 0.000 0.898 194 S HN 0.578 nan 8.310 nan 0.000 0.615 195 Y N 1.847 122.085 120.300 -0.103 0.000 2.442 195 Y HA 0.471 5.063 4.550 0.071 0.000 0.330 195 Y C -0.021 175.782 175.900 -0.161 0.000 1.129 195 Y CA 0.369 58.399 58.100 -0.116 0.000 1.365 195 Y CB 0.326 38.787 38.460 0.002 0.000 1.233 195 Y HN 0.227 nan 8.280 nan 0.000 0.529 196 I N 3.571 124.100 120.570 -0.069 0.000 2.478 196 I HA 0.174 4.384 4.170 0.067 0.000 0.287 196 I C -0.679 175.428 176.117 -0.016 0.000 1.042 196 I CA -0.862 60.390 61.300 -0.080 0.000 1.067 196 I CB 1.861 39.716 38.000 -0.242 0.000 1.233 196 I HN 0.491 nan 8.210 nan 0.000 0.431 197 Q N 6.124 125.933 119.800 0.014 0.000 2.295 197 Q HA 0.412 4.792 4.340 0.067 0.000 0.259 197 Q C -1.527 174.533 176.000 0.099 0.000 0.976 197 Q CA -0.316 55.487 55.803 -0.000 0.000 0.923 197 Q CB 1.319 30.053 28.738 -0.007 0.000 1.185 197 Q HN 0.524 nan 8.270 nan 0.000 0.410 198 V N 4.811 124.775 119.914 0.083 0.000 2.325 198 V HA 0.151 4.311 4.120 0.067 0.000 0.280 198 V C -0.900 175.232 176.094 0.063 0.000 1.016 198 V CA -0.940 61.463 62.300 0.171 0.000 0.818 198 V CB 1.385 33.352 31.823 0.241 0.000 1.019 198 V HN 0.782 nan 8.190 nan 0.000 0.434 199 D N 4.304 124.793 120.400 0.149 0.000 2.358 199 D HA 0.215 4.895 4.640 0.067 0.000 0.258 199 D C 0.512 176.822 176.300 0.016 0.000 1.223 199 D CA 0.319 54.380 54.000 0.101 0.000 0.886 199 D CB 0.884 41.880 40.800 0.326 0.000 1.120 199 D HN 0.457 nan 8.370 nan 0.000 0.482 200 E N 3.325 123.376 120.200 -0.248 0.000 3.786 200 E HA 0.120 4.510 4.350 0.067 0.000 0.215 200 E C -1.823 174.640 176.600 -0.228 0.000 1.188 200 E CA -1.373 54.940 56.400 -0.145 0.000 1.248 200 E CB 1.320 30.910 29.700 -0.184 0.000 1.260 200 E HN 0.327 nan 8.360 nan 0.000 0.426 201 P HA -0.087 nan 4.420 nan 0.000 0.230 201 P C 1.443 178.518 177.300 -0.375 0.000 1.158 201 P CA 0.344 62.976 63.100 -0.779 0.000 0.769 201 P CB 0.418 31.238 31.700 -1.467 0.000 0.807 202 I N -0.842 119.686 120.570 -0.071 0.000 2.567 202 I HA -0.140 4.070 4.170 0.067 0.000 0.257 202 I C 1.228 177.251 176.117 -0.155 0.000 1.184 202 I CA 1.046 62.344 61.300 -0.004 0.000 1.451 202 I CB -0.886 37.076 38.000 -0.063 0.000 1.089 202 I HN -0.250 nan 8.210 nan 0.000 0.441 203 F N -0.602 119.376 119.950 0.047 0.000 2.676 203 F HA 0.128 4.694 4.527 0.064 0.000 0.300 203 F C 1.691 177.499 175.800 0.013 0.000 1.160 203 F CA 0.326 58.376 58.000 0.084 0.000 1.401 203 F CB -0.372 38.747 39.000 0.198 0.000 1.037 203 F HN 0.051 nan 8.300 nan 0.000 0.522 204 V N -3.475 116.469 119.914 0.050 0.000 3.528 204 V HA 0.268 4.428 4.120 0.067 0.000 0.294 204 V C 0.672 176.784 176.094 0.029 0.000 1.404 204 V CA 0.423 62.730 62.300 0.013 0.000 1.065 204 V CB -0.548 31.224 31.823 -0.085 0.000 0.904 204 V HN 0.195 nan 8.190 nan 0.000 0.435 205 T N -3.428 111.148 114.554 0.037 0.000 2.952 205 T HA 0.408 4.798 4.350 0.067 0.000 0.286 205 T C 0.523 175.221 174.700 -0.003 0.000 1.024 205 T CA 0.009 62.131 62.100 0.036 0.000 1.029 205 T CB 1.887 70.801 68.868 0.075 0.000 1.094 205 T HN 0.123 nan 8.240 nan 0.000 0.515 206 D N 0.400 120.789 120.400 -0.018 0.000 2.092 206 D HA -0.153 4.527 4.640 0.067 0.000 0.193 206 D C 1.722 177.956 176.300 -0.109 0.000 0.994 206 D CA 1.556 55.527 54.000 -0.049 0.000 0.828 206 D CB -0.231 40.542 40.800 -0.044 0.000 0.963 206 D HN 0.903 nan 8.370 nan 0.000 0.450 207 E N 0.723 120.847 120.200 -0.127 0.000 2.171 207 E HA -0.178 4.212 4.350 0.067 0.000 0.197 207 E C 2.103 178.462 176.600 -0.403 0.000 0.997 207 E CA 1.301 57.562 56.400 -0.232 0.000 0.810 207 E CB -0.325 29.287 29.700 -0.147 0.000 0.738 207 E HN 0.263 nan 8.360 nan 0.000 0.467 208 G N 0.878 109.531 108.800 -0.246 0.000 2.475 208 G HA2 -0.390 3.610 3.960 0.067 0.000 0.220 208 G HA3 -0.390 3.610 3.960 0.067 0.000 0.220 208 G C 1.677 176.443 174.900 -0.223 0.000 1.125 208 G CA 1.382 46.321 45.100 -0.270 0.000 0.755 208 G HN 0.374 nan 8.290 nan 0.000 0.565 209 K N 0.282 120.584 120.400 -0.164 0.000 2.442 209 K HA 0.016 4.376 4.320 0.067 0.000 0.198 209 K C 1.587 178.080 176.600 -0.179 0.000 1.042 209 K CA 1.444 57.681 56.287 -0.084 0.000 0.958 209 K CB -0.470 31.993 32.500 -0.062 0.000 0.766 209 K HN 0.333 nan 8.250 nan 0.000 0.474 210 D N -0.133 119.987 120.400 -0.467 0.000 2.317 210 D HA 0.019 4.699 4.640 0.067 0.000 0.211 210 D C 0.247 176.327 176.300 -0.367 0.000 0.966 210 D CA 0.796 54.469 54.000 -0.544 0.000 0.876 210 D CB -0.062 40.218 40.800 -0.867 0.000 0.927 210 D HN 0.615 nan 8.370 nan 0.000 0.519 211 Y N -0.010 120.294 120.300 0.007 0.000 2.681 211 Y HA 0.317 4.907 4.550 0.066 0.000 0.267 211 Y C 1.764 177.923 175.900 0.432 0.000 1.166 211 Y CA -0.594 57.590 58.100 0.139 0.000 1.209 211 Y CB -0.594 37.876 38.460 0.016 0.000 1.161 211 Y HN -0.138 nan 8.280 nan 0.000 0.534 212 L N -0.594 120.875 121.223 0.410 0.000 2.046 212 L HA -0.251 4.129 4.340 0.067 0.000 0.208 212 L C 2.095 179.075 176.870 0.183 0.000 1.077 212 L CA 1.709 56.723 54.840 0.289 0.000 0.747 212 L CB -0.293 41.852 42.059 0.143 0.000 0.896 212 L HN 0.308 nan 8.230 nan 0.000 0.432 213 Q N -0.391 119.509 119.800 0.166 0.000 2.123 213 Q HA -0.102 4.278 4.340 0.067 0.000 0.199 213 Q C 2.485 178.564 176.000 0.132 0.000 0.966 213 Q CA 1.232 57.102 55.803 0.111 0.000 0.845 213 Q CB -0.199 28.589 28.738 0.084 0.000 0.907 213 Q HN 0.533 nan 8.270 nan 0.000 0.439 214 A N 1.484 124.434 122.820 0.217 0.000 1.908 214 A HA -0.194 4.166 4.320 0.067 0.000 0.218 214 A C 2.339 180.042 177.584 0.198 0.000 1.181 214 A CA 1.725 53.887 52.037 0.208 0.000 0.627 214 A CB -0.883 18.311 19.000 0.322 0.000 0.818 214 A HN 0.400 nan 8.150 nan 0.000 0.445 215 A N -0.198 122.813 122.820 0.319 0.000 1.883 215 A HA -0.227 4.134 4.320 0.067 0.000 0.217 215 A C 2.159 179.827 177.584 0.140 0.000 1.186 215 A CA 2.189 54.390 52.037 0.273 0.000 0.624 215 A CB -0.503 18.455 19.000 -0.069 0.000 0.822 215 A HN 0.593 nan 8.150 nan 0.000 0.444 216 K N -0.462 119.966 120.400 0.046 0.000 2.057 216 K HA -0.067 4.293 4.320 0.067 0.000 0.207 216 K C 2.162 178.762 176.600 0.001 0.000 1.049 216 K CA 1.235 57.526 56.287 0.007 0.000 0.931 216 K CB -0.333 32.164 32.500 -0.005 0.000 0.714 216 K HN 0.364 nan 8.250 nan 0.000 0.440 217 A N 0.712 123.526 122.820 -0.010 0.000 1.855 217 A HA -0.092 4.268 4.320 0.067 0.000 0.215 217 A C 2.253 179.742 177.584 -0.159 0.000 1.191 217 A CA 1.571 53.574 52.037 -0.056 0.000 0.613 217 A CB -0.734 18.236 19.000 -0.050 0.000 0.829 217 A HN 0.162 nan 8.150 nan 0.000 0.442 218 V N -1.456 118.304 119.914 -0.257 0.000 2.287 218 V HA -0.286 3.874 4.120 0.067 0.000 0.248 218 V C 2.312 177.855 176.094 -0.918 0.000 1.053 218 V CA 2.094 64.005 62.300 -0.649 0.000 1.027 218 V CB -0.971 30.430 31.823 -0.704 0.000 0.646 218 V HN 0.686 nan 8.190 nan 0.000 0.447 219 Y N -0.382 119.753 120.300 -0.275 0.000 2.523 219 Y HA 0.317 4.908 4.550 0.068 0.000 0.279 219 Y C 2.254 178.084 175.900 -0.117 0.000 1.139 219 Y CA 0.479 58.459 58.100 -0.201 0.000 1.296 219 Y CB -0.487 37.910 38.460 -0.105 0.000 1.045 219 Y HN 0.162 nan 8.280 nan 0.000 0.538 220 A N -0.655 122.160 122.820 -0.009 0.000 1.929 220 A HA -0.201 4.160 4.320 0.067 0.000 0.216 220 A C 1.935 179.521 177.584 0.003 0.000 1.176 220 A CA 1.184 53.227 52.037 0.010 0.000 0.628 220 A CB -1.049 17.954 19.000 0.005 0.000 0.816 220 A HN 0.563 nan 8.150 nan 0.000 0.444 221 Y N -0.167 120.006 120.300 -0.212 0.000 2.114 221 Y HA -0.247 4.343 4.550 0.066 0.000 0.284 221 Y C 1.905 177.773 175.900 -0.053 0.000 1.143 221 Y CA 2.099 60.076 58.100 -0.205 0.000 1.135 221 Y CB -0.447 37.778 38.460 -0.391 0.000 0.980 221 Y HN 0.270 nan 8.280 nan 0.000 0.499 222 F N 0.250 120.193 119.950 -0.012 0.000 2.134 222 F HA -0.134 4.433 4.527 0.067 0.000 0.299 222 F C 2.656 178.492 175.800 0.059 0.000 1.097 222 F CA 0.918 58.872 58.000 -0.077 0.000 1.264 222 F CB -1.604 37.130 39.000 -0.443 0.000 1.001 222 F HN 0.192 nan 8.300 nan 0.000 0.479 223 A N -0.330 122.632 122.820 0.236 0.000 1.933 223 A HA -0.214 4.146 4.320 0.067 0.000 0.218 223 A C 2.343 179.996 177.584 0.115 0.000 1.175 223 A CA 1.830 54.002 52.037 0.225 0.000 0.628 223 A CB -0.677 18.415 19.000 0.152 0.000 0.814 223 A HN 0.372 nan 8.150 nan 0.000 0.444 224 K N -0.720 119.699 120.400 0.031 0.000 2.044 224 K HA -0.094 4.266 4.320 0.067 0.000 0.204 224 K C 1.618 178.188 176.600 -0.049 0.000 1.049 224 K CA 1.275 57.549 56.287 -0.022 0.000 0.945 224 K CB -0.061 32.404 32.500 -0.058 0.000 0.724 224 K HN 0.336 nan 8.250 nan 0.000 0.440 225 E N 0.189 120.314 120.200 -0.124 0.000 2.230 225 E HA -0.016 4.374 4.350 0.067 0.000 0.192 225 E C 0.340 176.952 176.600 0.020 0.000 0.987 225 E CA 0.618 56.940 56.400 -0.131 0.000 0.841 225 E CB 0.714 30.182 29.700 -0.386 0.000 0.783 225 E HN 0.085 nan 8.360 nan 0.000 0.481 226 V N 3.132 123.121 119.914 0.124 0.000 2.468 226 V HA 0.097 4.258 4.120 0.067 0.000 0.256 226 V C -1.833 174.320 176.094 0.100 0.000 0.998 226 V CA -0.790 61.599 62.300 0.149 0.000 1.114 226 V CB 1.174 33.168 31.823 0.285 0.000 1.378 226 V HN -0.010 nan 8.190 nan 0.000 0.573 227 P HA -0.124 nan 4.420 nan 0.000 0.219 227 P C 0.645 177.915 177.300 -0.049 0.000 1.146 227 P CA 1.260 64.373 63.100 0.020 0.000 0.808 227 P CB 0.510 32.215 31.700 0.008 0.000 0.779 228 D N -0.276 120.074 120.400 -0.083 0.000 2.347 228 D HA 0.105 4.785 4.640 0.067 0.000 0.213 228 D C 1.029 177.185 176.300 -0.241 0.000 0.985 228 D CA 0.270 54.192 54.000 -0.129 0.000 0.879 228 D CB -0.279 40.464 40.800 -0.095 0.000 0.919 228 D HN 0.145 nan 8.370 nan 0.000 0.526 229 A N 0.835 123.436 122.820 -0.365 0.000 2.388 229 A HA 0.206 4.566 4.320 0.067 0.000 0.257 229 A C 0.358 177.516 177.584 -0.710 0.000 1.095 229 A CA -0.156 51.471 52.037 -0.683 0.000 0.791 229 A CB 0.417 18.673 19.000 -1.239 0.000 1.029 229 A HN -0.099 nan 8.150 nan 0.000 0.489 230 K N 2.631 122.633 120.400 -0.662 0.000 2.290 230 K HA 0.279 4.639 4.320 0.067 0.000 0.250 230 K C -1.458 174.896 176.600 -0.411 0.000 1.092 230 K CA 0.033 56.007 56.287 -0.522 0.000 1.006 230 K CB 0.339 32.394 32.500 -0.743 0.000 1.549 230 K HN 0.552 nan 8.250 nan 0.000 0.436 231 F N 2.254 122.104 119.950 -0.166 0.000 2.484 231 F HA 0.167 4.733 4.527 0.065 0.000 0.360 231 F C 0.871 176.578 175.800 -0.154 0.000 1.101 231 F CA -0.396 57.501 58.000 -0.172 0.000 1.251 231 F CB 0.344 39.267 39.000 -0.128 0.000 1.132 231 F HN 0.237 nan 8.300 nan 0.000 0.570 232 I N 4.642 125.214 120.570 0.004 0.000 2.330 232 I HA 0.111 4.321 4.170 0.067 0.000 0.286 232 I C -0.496 175.550 176.117 -0.119 0.000 1.025 232 I CA -0.533 60.666 61.300 -0.169 0.000 1.197 232 I CB 0.471 38.197 38.000 -0.457 0.000 1.358 232 I HN 0.404 nan 8.210 nan 0.000 0.467 233 F N 6.499 126.243 119.950 -0.342 0.000 2.556 233 F HA 0.158 4.727 4.527 0.070 0.000 0.344 233 F C 0.710 176.410 175.800 -0.166 0.000 1.255 233 F CA -0.156 57.626 58.000 -0.362 0.000 1.091 233 F CB 0.090 38.740 39.000 -0.582 0.000 1.325 233 F HN 0.450 nan 8.300 nan 0.000 0.627 234 Q N 4.321 123.919 119.800 -0.337 0.000 2.296 234 Q HA 0.385 4.766 4.340 0.067 0.000 0.257 234 Q C -0.357 175.460 176.000 -0.304 0.000 0.942 234 Q CA -0.313 55.381 55.803 -0.182 0.000 0.939 234 Q CB 1.054 29.763 28.738 -0.048 0.000 1.198 234 Q HN 0.659 nan 8.270 nan 0.000 0.429 235 T N 1.175 115.597 114.554 -0.220 0.000 2.916 235 T HA 0.855 5.245 4.350 0.067 0.000 0.292 235 T C -1.102 173.399 174.700 -0.332 0.000 1.064 235 T CA -0.605 61.239 62.100 -0.427 0.000 1.011 235 T CB 1.058 69.790 68.868 -0.228 0.000 1.152 235 T HN 0.610 nan 8.240 nan 0.000 0.510 236 Y N -1.546 118.525 120.300 -0.382 0.000 2.732 236 Y HA 0.613 5.214 4.550 0.085 0.000 0.342 236 Y C -0.376 175.204 175.900 -0.533 0.000 1.203 236 Y CA -2.103 55.717 58.100 -0.468 0.000 1.092 236 Y CB 0.068 38.146 38.460 -0.637 0.000 1.345 236 Y HN 0.657 nan 8.280 nan 0.000 0.458 237 F N -2.038 117.920 119.950 0.012 0.000 2.190 237 F HA -0.152 4.401 4.527 0.044 0.000 0.520 237 F C 0.345 176.105 175.800 -0.066 0.000 0.517 237 F CA 0.707 58.618 58.000 -0.148 0.000 1.719 237 F CB -1.043 37.798 39.000 -0.264 0.000 2.464 237 F HN 0.761 nan 8.300 nan 0.000 0.251 238 E N -1.021 119.255 120.200 0.127 0.000 2.402 238 E HA 0.554 4.944 4.350 0.067 0.000 0.270 238 E C 0.044 176.662 176.600 0.029 0.000 1.131 238 E CA -0.051 56.409 56.400 0.100 0.000 0.884 238 E CB 1.227 30.970 29.700 0.072 0.000 1.564 238 E HN 0.075 nan 8.360 nan 0.000 0.456 239 G N 0.500 109.313 108.800 0.021 0.000 2.539 239 G HA2 0.369 4.369 3.960 0.067 0.000 0.258 239 G HA3 0.369 4.369 3.960 0.067 0.000 0.258 239 G C -0.446 174.453 174.900 -0.001 0.000 1.202 239 G CA -0.372 44.716 45.100 -0.019 0.000 0.851 239 G HN 0.198 nan 8.290 nan 0.000 0.556 240 L N 2.273 123.492 121.223 -0.008 0.000 2.433 240 L HA 0.269 4.649 4.340 0.067 0.000 0.275 240 L C 0.963 177.881 176.870 0.080 0.000 1.128 240 L CA -0.381 54.496 54.840 0.061 0.000 0.875 240 L CB -0.029 42.073 42.059 0.070 0.000 1.171 240 L HN 0.451 nan 8.230 nan 0.000 0.463 241 I N 1.642 122.283 120.570 0.117 0.000 2.754 241 I HA 0.133 4.344 4.170 0.067 0.000 0.285 241 I C 0.036 176.210 176.117 0.095 0.000 1.166 241 I CA -0.455 60.906 61.300 0.103 0.000 1.417 241 I CB 0.182 38.255 38.000 0.123 0.000 1.382 241 I HN 0.707 nan 8.210 nan 0.000 0.588 242 D N 3.672 124.107 120.400 0.059 0.000 2.704 242 D HA -0.206 4.474 4.640 0.067 0.000 0.232 242 D C 1.515 177.825 176.300 0.016 0.000 1.183 242 D CA 1.005 55.025 54.000 0.033 0.000 0.647 242 D CB -0.404 40.418 40.800 0.037 0.000 1.013 242 D HN 0.915 nan 8.370 nan 0.000 0.415 243 S N -1.282 114.437 115.700 0.031 0.000 2.387 243 S HA -0.324 4.186 4.470 0.067 0.000 0.230 243 S C 2.273 176.827 174.600 -0.077 0.000 1.035 243 S CA 1.982 60.204 58.200 0.037 0.000 1.014 243 S CB -0.405 62.865 63.200 0.118 0.000 0.836 243 S HN 0.638 nan 8.310 nan 0.000 0.466 244 Q N 1.143 120.897 119.800 -0.077 0.000 2.135 244 Q HA 0.028 4.409 4.340 0.067 0.000 0.204 244 Q C 2.488 178.398 176.000 -0.150 0.000 0.981 244 Q CA 1.926 57.651 55.803 -0.132 0.000 0.856 244 Q CB -1.414 27.276 28.738 -0.079 0.000 0.902 244 Q HN 0.626 nan 8.270 nan 0.000 0.425 245 V N 0.365 120.217 119.914 -0.104 0.000 2.302 245 V HA -0.122 4.038 4.120 0.067 0.000 0.243 245 V C 2.517 178.530 176.094 -0.135 0.000 1.036 245 V CA 1.394 63.635 62.300 -0.098 0.000 1.020 245 V CB -0.440 31.350 31.823 -0.055 0.000 0.657 245 V HN 0.627 nan 8.190 nan 0.000 0.453 246 L N 1.142 122.283 121.223 -0.137 0.000 2.191 246 L HA -0.138 4.242 4.340 0.067 0.000 0.212 246 L C 2.622 179.375 176.870 -0.195 0.000 1.103 246 L CA 1.686 56.416 54.840 -0.183 0.000 0.769 246 L CB -0.711 41.263 42.059 -0.143 0.000 0.908 246 L HN 0.571 nan 8.230 nan 0.000 0.438 247 S N -0.926 114.551 115.700 -0.371 0.000 2.500 247 S HA -0.202 4.308 4.470 0.067 0.000 0.239 247 S C 1.621 175.992 174.600 -0.383 0.000 0.989 247 S CA 0.751 58.471 58.200 -0.800 0.000 0.951 247 S CB -0.234 62.200 63.200 -1.277 0.000 0.759 247 S HN 0.552 nan 8.310 nan 0.000 0.523 248 Q N 0.323 120.006 119.800 -0.196 0.000 2.360 248 Q HA 0.347 4.727 4.340 0.067 0.000 0.202 248 Q C -0.041 175.949 176.000 -0.016 0.000 0.915 248 Q CA -0.224 55.522 55.803 -0.095 0.000 0.943 248 Q CB -0.025 28.652 28.738 -0.103 0.000 1.064 248 Q HN 0.551 nan 8.270 nan 0.000 0.511 249 L N 3.728 124.957 121.223 0.009 0.000 2.559 249 L HA 0.006 4.386 4.340 0.067 0.000 0.282 249 L C -1.672 175.198 176.870 -0.000 0.000 1.232 249 L CA -1.033 53.771 54.840 -0.061 0.000 0.885 249 L CB 0.093 41.967 42.059 -0.309 0.000 1.131 249 L HN -0.043 nan 8.230 nan 0.000 0.498 250 P HA 0.076 nan 4.420 nan 0.000 0.226 250 P C -0.621 176.696 177.300 0.029 0.000 1.783 250 P CA 0.062 63.179 63.100 0.028 0.000 0.980 250 P CB -0.257 31.469 31.700 0.043 0.000 1.967 251 V N -2.267 117.611 119.914 -0.060 0.000 2.960 251 V HA 0.477 4.637 4.120 0.067 0.000 0.315 251 V C 0.802 176.861 176.094 -0.058 0.000 1.087 251 V CA -0.713 61.541 62.300 -0.076 0.000 0.982 251 V CB 1.954 33.602 31.823 -0.291 0.000 1.039 251 V HN -0.221 nan 8.190 nan 0.000 0.437 252 D N 1.734 122.141 120.400 0.010 0.000 2.224 252 D HA 0.339 5.019 4.640 0.067 0.000 0.205 252 D C 0.717 177.090 176.300 0.122 0.000 0.965 252 D CA 2.058 56.094 54.000 0.060 0.000 0.852 252 D CB 0.238 41.055 40.800 0.028 0.000 0.947 252 D HN 1.067 nan 8.370 nan 0.000 0.494 253 A N -0.720 122.114 122.820 0.023 0.000 2.572 253 A HA 0.632 4.993 4.320 0.067 0.000 0.295 253 A C -1.552 175.969 177.584 -0.105 0.000 1.072 253 A CA -0.671 51.455 52.037 0.148 0.000 0.691 253 A CB 1.070 20.261 19.000 0.319 0.000 1.291 253 A HN -0.029 nan 8.150 nan 0.000 0.404 254 F N 0.442 120.532 119.950 0.233 0.000 2.520 254 F HA 0.593 5.159 4.527 0.064 0.000 0.322 254 F C 0.945 176.830 175.800 0.143 0.000 1.103 254 F CA -0.355 57.759 58.000 0.190 0.000 0.926 254 F CB 2.662 41.772 39.000 0.184 0.000 1.154 254 F HN 0.712 nan 8.300 nan 0.000 0.453 255 G N 4.605 113.544 108.800 0.232 0.000 2.428 255 G HA2 0.611 4.611 3.960 0.067 0.000 0.320 255 G HA3 0.611 4.611 3.960 0.067 0.000 0.320 255 G C -1.082 173.877 174.900 0.098 0.000 1.098 255 G CA -0.434 44.768 45.100 0.171 0.000 0.984 255 G HN 0.523 nan 8.290 nan 0.000 0.444 256 L N 2.144 123.396 121.223 0.048 0.000 2.329 256 L HA 0.403 4.783 4.340 0.067 0.000 0.279 256 L C -0.619 176.108 176.870 -0.239 0.000 1.014 256 L CA -1.135 53.588 54.840 -0.195 0.000 0.814 256 L CB 2.423 44.199 42.059 -0.471 0.000 1.257 256 L HN 0.334 nan 8.230 nan 0.000 0.424 257 D N 2.047 122.298 120.400 -0.248 0.000 2.380 257 D HA 0.172 4.852 4.640 0.067 0.000 0.230 257 D C 0.044 176.222 176.300 -0.205 0.000 1.154 257 D CA -0.106 53.844 54.000 -0.083 0.000 0.859 257 D CB 0.767 41.601 40.800 0.057 0.000 1.045 257 D HN 0.266 nan 8.370 nan 0.000 0.495 258 F N 2.461 122.463 119.950 0.087 0.000 2.693 258 F HA 0.049 4.611 4.527 0.058 0.000 0.303 258 F C 1.827 177.652 175.800 0.043 0.000 1.097 258 F CA -0.186 57.845 58.000 0.053 0.000 1.330 258 F CB 0.505 39.521 39.000 0.027 0.000 1.067 258 F HN 0.262 nan 8.300 nan 0.000 0.565 259 V N -2.013 118.009 119.914 0.181 0.000 2.788 259 V HA -0.110 4.050 4.120 0.067 0.000 0.241 259 V C 1.036 177.027 176.094 -0.172 0.000 1.083 259 V CA 1.190 63.496 62.300 0.010 0.000 1.103 259 V CB -0.405 31.421 31.823 0.006 0.000 0.800 259 V HN 0.237 nan 8.190 nan 0.000 0.476 260 Y N 0.325 120.696 120.300 0.118 0.000 2.467 260 Y HA 0.534 5.100 4.550 0.026 0.000 0.250 260 Y C 1.717 177.655 175.900 0.065 0.000 1.155 260 Y CA 0.511 58.675 58.100 0.106 0.000 1.249 260 Y CB 0.826 39.370 38.460 0.141 0.000 1.146 260 Y HN 0.244 nan 8.280 nan 0.000 0.524 261 G N -0.680 108.202 108.800 0.138 0.000 4.552 261 G HA2 0.142 4.142 3.960 0.067 0.000 0.281 261 G HA3 0.142 4.142 3.960 0.067 0.000 0.281 261 G C 0.778 175.683 174.900 0.008 0.000 1.037 261 G CA -0.118 45.010 45.100 0.046 0.000 0.806 261 G HN 0.220 nan 8.290 nan 0.000 0.495 262 L N 1.068 122.337 121.223 0.077 0.000 1.971 262 L HA -0.094 4.286 4.340 0.067 0.000 0.215 262 L C 2.634 179.591 176.870 0.144 0.000 1.072 262 L CA 2.908 57.843 54.840 0.158 0.000 0.758 262 L CB -0.527 41.612 42.059 0.132 0.000 0.889 262 L HN 0.197 nan 8.230 nan 0.000 0.433 263 E N -0.850 119.405 120.200 0.091 0.000 2.051 263 E HA -0.295 4.095 4.350 0.067 0.000 0.192 263 E C 2.116 178.759 176.600 0.071 0.000 0.991 263 E CA 1.309 57.755 56.400 0.078 0.000 0.799 263 E CB -0.693 29.041 29.700 0.055 0.000 0.748 263 E HN 0.748 nan 8.360 nan 0.000 0.449 264 E N 0.276 120.506 120.200 0.050 0.000 2.072 264 E HA -0.193 4.197 4.350 0.067 0.000 0.191 264 E C 2.075 178.695 176.600 0.032 0.000 0.985 264 E CA 1.270 57.692 56.400 0.037 0.000 0.801 264 E CB -0.056 29.659 29.700 0.024 0.000 0.750 264 E HN 0.192 nan 8.360 nan 0.000 0.452 265 N N 0.430 119.120 118.700 -0.016 0.000 2.270 265 N HA -0.122 4.658 4.740 0.067 0.000 0.181 265 N C 1.732 177.341 175.510 0.165 0.000 1.016 265 N CA 0.448 53.447 53.050 -0.084 0.000 0.870 265 N CB -0.201 37.960 38.487 -0.543 0.000 0.979 265 N HN 0.155 nan 8.380 nan 0.000 0.431 266 L N 2.088 123.475 121.223 0.272 0.000 2.093 266 L HA -0.126 4.254 4.340 0.067 0.000 0.208 266 L C 2.170 179.135 176.870 0.159 0.000 1.085 266 L CA 1.631 56.638 54.840 0.279 0.000 0.755 266 L CB -0.544 41.636 42.059 0.202 0.000 0.904 266 L HN 0.309 nan 8.230 nan 0.000 0.435 267 E N -1.126 119.145 120.200 0.118 0.000 2.216 267 E HA -0.117 4.274 4.350 0.067 0.000 0.192 267 E C 1.978 178.640 176.600 0.104 0.000 0.988 267 E CA 0.877 57.331 56.400 0.090 0.000 0.834 267 E CB -0.473 29.266 29.700 0.065 0.000 0.772 267 E HN 0.428 nan 8.360 nan 0.000 0.479 268 A N 2.402 125.298 122.820 0.126 0.000 1.940 268 A HA -0.140 4.220 4.320 0.067 0.000 0.219 268 A C 2.372 180.119 177.584 0.272 0.000 1.176 268 A CA 1.665 53.811 52.037 0.183 0.000 0.631 268 A CB -0.811 18.311 19.000 0.203 0.000 0.814 268 A HN 0.558 nan 8.150 nan 0.000 0.446 269 I N -3.755 116.962 120.570 0.245 0.000 3.035 269 I HA 0.206 4.416 4.170 0.067 0.000 0.271 269 I C 2.238 178.453 176.117 0.163 0.000 1.190 269 I CA 1.279 62.743 61.300 0.273 0.000 1.472 269 I CB -0.390 37.732 38.000 0.202 0.000 1.116 269 I HN 0.154 nan 8.210 nan 0.000 0.443 270 K N 1.307 121.776 120.400 0.116 0.000 2.211 270 K HA -0.096 4.264 4.320 0.067 0.000 0.204 270 K C 1.895 178.530 176.600 0.059 0.000 1.047 270 K CA 2.245 58.576 56.287 0.072 0.000 0.935 270 K CB -2.014 30.520 32.500 0.057 0.000 0.728 270 K HN 0.539 nan 8.250 nan 0.000 0.452 271 T N -0.694 113.900 114.554 0.065 0.000 3.007 271 T HA 0.205 4.595 4.350 0.067 0.000 0.270 271 T C 1.580 176.292 174.700 0.020 0.000 1.107 271 T CA 1.240 63.360 62.100 0.033 0.000 1.118 271 T CB -0.415 68.464 68.868 0.018 0.000 0.889 271 T HN 1.152 nan 8.240 nan 0.000 0.506 272 G N 0.445 109.274 108.800 0.048 0.000 2.136 272 G HA2 -0.224 3.776 3.960 0.067 0.000 0.242 272 G HA3 -0.224 3.776 3.960 0.067 0.000 0.242 272 G C 0.970 175.866 174.900 -0.007 0.000 0.989 272 G CA 0.348 45.469 45.100 0.036 0.000 0.682 272 G HN 0.684 nan 8.290 nan 0.000 0.522 273 A N -0.773 122.017 122.820 -0.050 0.000 2.015 273 A HA 0.452 4.813 4.320 0.067 0.000 0.219 273 A C 1.559 178.851 177.584 -0.486 0.000 1.163 273 A CA 1.759 53.617 52.037 -0.298 0.000 0.646 273 A CB -0.251 18.480 19.000 -0.447 0.000 0.806 273 A HN 0.784 nan 8.150 nan 0.000 0.448 274 F N -1.060 118.855 119.950 -0.057 0.000 2.668 274 F HA 0.275 4.846 4.527 0.072 0.000 0.301 274 F C 2.178 177.992 175.800 0.023 0.000 1.106 274 F CA 0.389 58.367 58.000 -0.038 0.000 1.289 274 F CB 0.017 38.993 39.000 -0.039 0.000 1.006 274 F HN 0.193 nan 8.300 nan 0.000 0.535 275 K N 0.709 121.184 120.400 0.125 0.000 2.211 275 K HA -0.026 4.335 4.320 0.067 0.000 0.204 275 K C 2.074 178.730 176.600 0.093 0.000 1.047 275 K CA 1.504 57.848 56.287 0.096 0.000 0.935 275 K CB -1.390 31.140 32.500 0.050 0.000 0.728 275 K HN 0.433 nan 8.250 nan 0.000 0.452 276 G N -0.083 108.769 108.800 0.088 0.000 3.233 276 G HA2 0.186 4.186 3.960 0.067 0.000 0.234 276 G HA3 0.186 4.186 3.960 0.067 0.000 0.234 276 G C 0.391 175.374 174.900 0.139 0.000 1.137 276 G CA -0.224 44.929 45.100 0.088 0.000 0.763 276 G HN 0.313 nan 8.290 nan 0.000 0.549 277 K N 0.352 120.878 120.400 0.209 0.000 2.306 277 K HA 0.406 4.766 4.320 0.067 0.000 0.236 277 K C -0.853 175.925 176.600 0.297 0.000 1.013 277 K CA -0.756 55.712 56.287 0.302 0.000 0.857 277 K CB 2.142 34.943 32.500 0.501 0.000 1.214 277 K HN 0.184 nan 8.250 nan 0.000 0.449 278 E N 1.617 122.013 120.200 0.328 0.000 2.227 278 E HA 0.239 4.630 4.350 0.067 0.000 0.282 278 E C -0.688 176.142 176.600 0.383 0.000 1.015 278 E CA -0.544 56.040 56.400 0.307 0.000 0.823 278 E CB 0.706 30.609 29.700 0.339 0.000 1.081 278 E HN 0.243 nan 8.360 nan 0.000 0.396 279 I N 4.867 125.598 120.570 0.270 0.000 2.354 279 I HA 0.206 4.416 4.170 0.067 0.000 0.292 279 I C -0.616 175.649 176.117 0.246 0.000 0.989 279 I CA -0.614 60.850 61.300 0.273 0.000 1.188 279 I CB 0.696 38.788 38.000 0.153 0.000 1.342 279 I HN 0.575 nan 8.210 nan 0.000 0.457 280 F N 4.926 124.947 119.950 0.117 0.000 2.377 280 F HA 0.408 4.971 4.527 0.060 0.000 0.360 280 F C 0.872 176.751 175.800 0.131 0.000 1.147 280 F CA -0.624 57.428 58.000 0.086 0.000 1.170 280 F CB 0.814 39.851 39.000 0.062 0.000 1.339 280 F HN 0.496 nan 8.300 nan 0.000 0.552 281 A N 2.993 125.934 122.820 0.202 0.000 2.343 281 A HA 0.534 4.895 4.320 0.067 0.000 0.305 281 A C 0.855 178.603 177.584 0.272 0.000 1.308 281 A CA -0.289 51.930 52.037 0.304 0.000 0.949 281 A CB -0.263 18.806 19.000 0.115 0.000 1.148 281 A HN 0.835 nan 8.150 nan 0.000 0.545 282 G N 1.947 110.945 108.800 0.331 0.000 2.865 282 G HA2 0.386 4.386 3.960 0.067 0.000 0.292 282 G HA3 0.386 4.386 3.960 0.067 0.000 0.292 282 G C 0.623 175.686 174.900 0.272 0.000 0.800 282 G CA 0.426 45.675 45.100 0.247 0.000 1.838 282 G HN 1.428 nan 8.290 nan 0.000 0.535 283 V N 0.568 120.601 119.914 0.198 0.000 3.661 283 V HA 0.410 4.570 4.120 0.067 0.000 0.271 283 V C 0.549 176.723 176.094 0.134 0.000 1.315 283 V CA -0.054 62.339 62.300 0.155 0.000 1.072 283 V CB -0.092 31.766 31.823 0.059 0.000 0.830 283 V HN 0.368 nan 8.190 nan 0.000 0.443 284 I N 2.431 123.088 120.570 0.144 0.000 2.336 284 I HA 0.443 4.653 4.170 0.067 0.000 0.292 284 I C -0.278 175.950 176.117 0.184 0.000 0.991 284 I CA -0.277 61.116 61.300 0.154 0.000 1.227 284 I CB 1.164 39.250 38.000 0.143 0.000 1.366 284 I HN 0.156 nan 8.210 nan 0.000 0.466 285 D N 5.068 125.585 120.400 0.196 0.000 2.389 285 D HA 0.051 4.731 4.640 0.067 0.000 0.263 285 D C 1.182 177.637 176.300 0.258 0.000 1.255 285 D CA 0.306 54.457 54.000 0.252 0.000 0.914 285 D CB 1.162 42.102 40.800 0.234 0.000 1.116 285 D HN 0.780 nan 8.370 nan 0.000 0.502 286 G N 3.559 112.540 108.800 0.302 0.000 2.985 286 G HA2 -0.089 3.911 3.960 0.067 0.000 0.209 286 G HA3 -0.089 3.911 3.960 0.067 0.000 0.209 286 G C 0.958 176.003 174.900 0.243 0.000 1.165 286 G CA -0.256 44.980 45.100 0.226 0.000 0.776 286 G HN 0.604 nan 8.290 nan 0.000 0.541 287 R N -0.809 119.877 120.500 0.309 0.000 2.642 287 R HA 0.355 4.735 4.340 0.067 0.000 0.435 287 R C -0.400 176.128 176.300 0.381 0.000 1.046 287 R CA -0.562 55.727 56.100 0.315 0.000 1.103 287 R CB -0.022 30.405 30.300 0.211 0.000 1.425 287 R HN 0.045 nan 8.270 nan 0.000 0.586 288 N N 1.099 119.943 118.700 0.241 0.000 2.774 288 N HA 0.325 5.105 4.740 0.067 0.000 0.264 288 N C -0.671 174.701 175.510 -0.230 0.000 1.415 288 N CA -0.764 52.335 53.050 0.082 0.000 0.815 288 N CB 1.972 40.659 38.487 0.334 0.000 1.514 288 N HN 0.159 nan 8.380 nan 0.000 0.523 289 I N -2.061 118.162 120.570 -0.579 0.000 3.569 289 I HA 0.505 4.715 4.170 0.067 0.000 0.334 289 I C -0.981 174.835 176.117 -0.502 0.000 1.570 289 I CA -1.050 59.907 61.300 -0.571 0.000 1.082 289 I CB -0.566 36.944 38.000 -0.818 0.000 1.323 289 I HN 0.196 nan 8.210 nan 0.000 0.489 290 W N 1.398 122.743 121.300 0.074 0.000 2.520 290 W HA 0.678 5.391 4.660 0.089 0.000 0.323 290 W C 0.796 177.392 176.519 0.128 0.000 1.062 290 W CA -1.056 56.349 57.345 0.101 0.000 1.215 290 W CB 1.393 30.928 29.460 0.125 0.000 1.340 290 W HN 0.192 nan 8.180 nan 0.000 0.516 291 S N 1.480 117.395 115.700 0.358 0.000 2.558 291 S HA 0.064 4.574 4.470 0.067 0.000 0.288 291 S C 0.424 175.239 174.600 0.357 0.000 1.318 291 S CA -0.637 57.731 58.200 0.280 0.000 1.056 291 S CB 1.080 64.338 63.200 0.098 0.000 0.853 291 S HN 0.502 nan 8.310 nan 0.000 0.505 292 S N 1.064 116.928 115.700 0.274 0.000 2.568 292 S HA 0.022 4.532 4.470 0.067 0.000 0.282 292 S C -0.056 174.492 174.600 -0.088 0.000 1.338 292 S CA -0.414 57.893 58.200 0.178 0.000 1.045 292 S CB 0.095 63.444 63.200 0.249 0.000 0.873 292 S HN 0.827 nan 8.310 nan 0.000 0.516 293 D N 4.022 124.271 120.400 -0.252 0.000 2.402 293 D HA 0.112 4.792 4.640 0.067 0.000 0.235 293 D C 0.641 176.810 176.300 -0.218 0.000 1.226 293 D CA -0.271 53.301 54.000 -0.714 0.000 0.918 293 D CB -0.285 40.259 40.800 -0.427 0.000 1.043 293 D HN 0.476 nan 8.370 nan 0.000 0.506 294 F N 2.750 122.419 119.950 -0.469 0.000 2.146 294 F HA -0.167 4.394 4.527 0.055 0.000 0.298 294 F C 2.312 177.966 175.800 -0.244 0.000 1.096 294 F CA 0.394 58.160 58.000 -0.389 0.000 1.275 294 F CB -0.700 37.900 39.000 -0.668 0.000 1.008 294 F HN 0.269 nan 8.300 nan 0.000 0.480 295 V N 0.447 120.339 119.914 -0.037 0.000 2.295 295 V HA -0.328 3.832 4.120 0.067 0.000 0.246 295 V C 2.508 178.592 176.094 -0.017 0.000 1.049 295 V CA 2.228 64.525 62.300 -0.005 0.000 1.024 295 V CB -0.785 31.035 31.823 -0.005 0.000 0.648 295 V HN 0.262 nan 8.190 nan 0.000 0.447 296 K N -0.062 120.311 120.400 -0.045 0.000 2.009 296 K HA -0.219 4.141 4.320 0.067 0.000 0.210 296 K C 2.151 178.732 176.600 -0.033 0.000 1.049 296 K CA 2.269 58.537 56.287 -0.032 0.000 0.929 296 K CB -0.460 32.020 32.500 -0.034 0.000 0.714 296 K HN 0.501 nan 8.250 nan 0.000 0.440 297 T N 0.626 115.160 114.554 -0.035 0.000 2.708 297 T HA -0.088 4.302 4.350 0.067 0.000 0.266 297 T C 2.084 176.739 174.700 -0.075 0.000 1.037 297 T CA 1.686 63.760 62.100 -0.044 0.000 1.146 297 T CB -0.266 68.591 68.868 -0.018 0.000 0.865 297 T HN 0.263 nan 8.240 nan 0.000 0.435 298 S N 1.379 117.032 115.700 -0.078 0.000 2.383 298 S HA -0.053 4.457 4.470 0.067 0.000 0.229 298 S C 2.565 177.147 174.600 -0.030 0.000 1.030 298 S CA 0.963 59.131 58.200 -0.053 0.000 1.002 298 S CB -0.564 62.626 63.200 -0.018 0.000 0.829 298 S HN 0.591 nan 8.310 nan 0.000 0.467 299 A N 1.410 124.217 122.820 -0.022 0.000 1.902 299 A HA -0.057 4.303 4.320 0.067 0.000 0.217 299 A C 2.115 179.664 177.584 -0.058 0.000 1.181 299 A CA 1.450 53.472 52.037 -0.025 0.000 0.623 299 A CB -0.712 18.280 19.000 -0.013 0.000 0.818 299 A HN 0.438 nan 8.150 nan 0.000 0.443 300 L N -0.346 120.830 121.223 -0.079 0.000 2.083 300 L HA -0.081 4.299 4.340 0.067 0.000 0.209 300 L C 2.162 178.919 176.870 -0.188 0.000 1.083 300 L CA 1.610 56.370 54.840 -0.134 0.000 0.752 300 L CB -0.488 41.485 42.059 -0.144 0.000 0.899 300 L HN 0.381 nan 8.230 nan 0.000 0.433 301 L N -0.717 120.413 121.223 -0.155 0.000 2.093 301 L HA -0.183 4.197 4.340 0.067 0.000 0.208 301 L C 2.488 179.282 176.870 -0.127 0.000 1.085 301 L CA 1.324 56.068 54.840 -0.160 0.000 0.755 301 L CB -0.483 41.501 42.059 -0.124 0.000 0.904 301 L HN 0.337 nan 8.230 nan 0.000 0.435 302 E N -0.627 119.517 120.200 -0.094 0.000 2.077 302 E HA -0.188 4.202 4.350 0.067 0.000 0.193 302 E C 2.073 178.628 176.600 -0.076 0.000 0.989 302 E CA 1.763 58.118 56.400 -0.075 0.000 0.800 302 E CB -0.131 29.537 29.700 -0.054 0.000 0.746 302 E HN 0.406 nan 8.360 nan 0.000 0.452 303 T N 1.127 115.628 114.554 -0.087 0.000 2.788 303 T HA -0.098 4.292 4.350 0.067 0.000 0.268 303 T C 1.924 176.570 174.700 -0.091 0.000 1.044 303 T CA 0.839 62.893 62.100 -0.078 0.000 1.139 303 T CB -0.119 68.701 68.868 -0.081 0.000 0.867 303 T HN 0.116 nan 8.240 nan 0.000 0.454 304 I N 0.744 121.223 120.570 -0.152 0.000 2.286 304 I HA -0.103 4.107 4.170 0.067 0.000 0.245 304 I C 2.732 178.802 176.117 -0.078 0.000 1.104 304 I CA 1.189 62.394 61.300 -0.158 0.000 1.397 304 I CB -0.343 37.476 38.000 -0.301 0.000 1.072 304 I HN 0.303 nan 8.210 nan 0.000 0.417 305 E N 1.556 121.708 120.200 -0.079 0.000 2.077 305 E HA -0.283 4.107 4.350 0.067 0.000 0.193 305 E C 2.000 178.586 176.600 -0.025 0.000 0.989 305 E CA 1.663 58.033 56.400 -0.051 0.000 0.800 305 E CB 0.016 29.679 29.700 -0.062 0.000 0.746 305 E HN 0.641 nan 8.360 nan 0.000 0.452 306 E N -0.463 119.721 120.200 -0.027 0.000 2.268 306 E HA -0.175 4.215 4.350 0.067 0.000 0.195 306 E C 1.384 177.989 176.600 0.009 0.000 0.995 306 E CA 0.621 57.014 56.400 -0.011 0.000 0.836 306 E CB 0.069 29.759 29.700 -0.016 0.000 0.763 306 E HN 0.154 nan 8.360 nan 0.000 0.491 307 Q N 0.943 120.753 119.800 0.018 0.000 2.204 307 Q HA 0.190 4.571 4.340 0.067 0.000 0.209 307 Q C -0.207 175.847 176.000 0.090 0.000 0.861 307 Q CA 0.185 56.020 55.803 0.053 0.000 0.971 307 Q CB 1.274 30.049 28.738 0.063 0.000 1.095 307 Q HN 0.326 nan 8.270 nan 0.000 0.486 308 S N -2.524 113.220 115.700 0.072 0.000 2.627 308 S HA 0.745 5.255 4.470 0.067 0.000 0.283 308 S C 0.588 175.237 174.600 0.081 0.000 1.127 308 S CA -0.323 57.940 58.200 0.105 0.000 0.863 308 S CB 1.694 64.956 63.200 0.104 0.000 1.121 308 S HN 0.001 nan 8.310 nan 0.000 0.479 309 A N 0.551 123.433 122.820 0.103 0.000 1.970 309 A HA 0.677 5.037 4.320 0.067 0.000 0.216 309 A C 1.054 178.679 177.584 0.068 0.000 1.170 309 A CA 1.072 53.157 52.037 0.082 0.000 0.645 309 A CB -0.760 18.299 19.000 0.097 0.000 0.816 309 A HN 1.770 nan 8.150 nan 0.000 0.447 310 A N -1.634 121.235 122.820 0.081 0.000 2.606 310 A HA 0.677 5.037 4.320 0.067 0.000 0.293 310 A C -1.338 176.257 177.584 0.019 0.000 1.082 310 A CA -0.354 51.711 52.037 0.048 0.000 0.685 310 A CB 0.861 19.905 19.000 0.074 0.000 1.284 310 A HN 0.565 nan 8.150 nan 0.000 0.408 311 L N 0.889 122.080 121.223 -0.053 0.000 2.410 311 L HA 0.757 5.137 4.340 0.067 0.000 0.270 311 L C -1.143 175.580 176.870 -0.246 0.000 0.983 311 L CA -0.203 54.568 54.840 -0.115 0.000 0.822 311 L CB 2.394 44.395 42.059 -0.095 0.000 1.285 311 L HN 0.791 nan 8.230 nan 0.000 0.409 312 T N 5.388 119.684 114.554 -0.430 0.000 2.841 312 T HA 0.547 4.937 4.350 0.067 0.000 0.285 312 T C -0.281 174.181 174.700 -0.396 0.000 0.991 312 T CA -0.289 61.446 62.100 -0.609 0.000 0.966 312 T CB 1.385 69.403 68.868 -1.418 0.000 0.962 312 T HN 0.337 nan 8.240 nan 0.000 0.438 313 I N 4.391 124.819 120.570 -0.236 0.000 2.353 313 I HA 0.476 4.686 4.170 0.067 0.000 0.293 313 I C 0.348 176.435 176.117 -0.050 0.000 0.992 313 I CA -0.519 60.715 61.300 -0.110 0.000 1.268 313 I CB 0.992 38.938 38.000 -0.090 0.000 1.387 313 I HN 0.668 nan 8.210 nan 0.000 0.478 314 Q N 6.253 126.070 119.800 0.029 0.000 2.648 314 Q HA 0.607 4.987 4.340 0.067 0.000 0.300 314 Q C -3.056 173.008 176.000 0.107 0.000 0.954 314 Q CA -2.020 53.830 55.803 0.078 0.000 0.757 314 Q CB 1.957 30.774 28.738 0.131 0.000 1.482 314 Q HN 0.160 nan 8.270 nan 0.000 0.437 315 P HA 0.018 nan 4.420 nan 0.000 0.272 315 P C 0.327 177.712 177.300 0.141 0.000 1.240 315 P CA 0.027 63.204 63.100 0.129 0.000 0.791 315 P CB 0.730 32.499 31.700 0.115 0.000 0.978 316 S N -0.497 115.310 115.700 0.177 0.000 2.428 316 S HA -0.026 4.484 4.470 0.067 0.000 0.230 316 S C 0.852 175.520 174.600 0.114 0.000 1.014 316 S CA 0.645 58.965 58.200 0.200 0.000 0.957 316 S CB -1.095 62.297 63.200 0.320 0.000 0.784 316 S HN 0.708 nan 8.310 nan 0.000 0.499 317 C N -0.751 118.579 119.300 0.051 0.000 3.332 317 C HA 0.806 5.306 4.460 0.067 0.000 0.329 317 C C 0.160 175.099 174.990 -0.085 0.000 1.434 317 C CA -0.716 58.197 59.018 -0.174 0.000 1.314 317 C CB 0.838 28.487 27.740 -0.151 0.000 1.664 317 C HN 0.277 nan 8.230 nan 0.000 0.457 318 S N -0.256 115.340 115.700 -0.173 0.000 2.558 318 S HA 0.200 4.710 4.470 0.067 0.000 0.288 318 S C 0.832 175.434 174.600 0.003 0.000 1.318 318 S CA -0.385 57.760 58.200 -0.092 0.000 1.056 318 S CB -0.102 62.978 63.200 -0.200 0.000 0.853 318 S HN 0.693 nan 8.310 nan 0.000 0.505 319 L N 4.653 125.849 121.223 -0.046 0.000 2.622 319 L HA -0.008 4.372 4.340 0.067 0.000 0.233 319 L C 2.071 178.802 176.870 -0.232 0.000 1.156 319 L CA 0.053 54.846 54.840 -0.078 0.000 0.866 319 L CB -0.602 41.422 42.059 -0.059 0.000 0.980 319 L HN 0.676 nan 8.230 nan 0.000 0.448 320 L N -0.165 120.855 121.223 -0.339 0.000 2.197 320 L HA -0.254 4.126 4.340 0.067 0.000 0.215 320 L C 2.185 178.743 176.870 -0.520 0.000 1.095 320 L CA 1.919 56.424 54.840 -0.558 0.000 0.764 320 L CB -0.676 40.892 42.059 -0.817 0.000 0.897 320 L HN 0.352 nan 8.230 nan 0.000 0.436 321 H N -1.064 117.950 119.070 -0.092 0.000 2.517 321 H HA 0.364 4.943 4.556 0.038 0.000 0.282 321 H C 0.120 175.486 175.328 0.064 0.000 1.023 321 H CA 0.564 56.624 56.048 0.020 0.000 1.169 321 H CB -0.219 29.603 29.762 0.101 0.000 1.454 321 H HN 0.322 nan 8.280 nan 0.000 0.556 322 V N -2.438 117.487 119.914 0.018 0.000 3.102 322 V HA 0.547 4.707 4.120 0.067 0.000 0.312 322 V C -2.826 173.150 176.094 -0.196 0.000 1.135 322 V CA -2.933 59.322 62.300 -0.076 0.000 1.022 322 V CB 2.369 34.102 31.823 -0.150 0.000 1.056 322 V HN -0.211 nan 8.190 nan 0.000 0.436 323 P HA 0.267 nan 4.420 nan 0.000 0.272 323 P C 0.901 178.082 177.300 -0.199 0.000 1.254 323 P CA -0.103 62.788 63.100 -0.348 0.000 0.795 323 P CB 0.647 31.874 31.700 -0.788 0.000 1.022 324 V N -1.305 118.574 119.914 -0.058 0.000 2.283 324 V HA -0.032 4.129 4.120 0.067 0.000 0.243 324 V C 1.216 177.415 176.094 0.175 0.000 1.039 324 V CA 2.173 64.461 62.300 -0.019 0.000 1.016 324 V CB -0.513 31.306 31.823 -0.007 0.000 0.650 324 V HN 0.711 nan 8.190 nan 0.000 0.449 325 T N -1.990 112.774 114.554 0.350 0.000 2.886 325 T HA 0.283 4.673 4.350 0.067 0.000 0.330 325 T C 0.501 175.290 174.700 0.149 0.000 1.488 325 T CA 0.191 62.441 62.100 0.250 0.000 1.054 325 T CB 1.765 70.701 68.868 0.114 0.000 1.348 325 T HN 0.363 nan 8.240 nan 0.000 0.489 326 T N -0.119 114.231 114.554 -0.340 0.000 3.081 326 T HA 0.227 4.617 4.350 0.067 0.000 0.250 326 T C 2.101 176.686 174.700 -0.192 0.000 1.100 326 T CA 1.009 62.786 62.100 -0.538 0.000 1.038 326 T CB -0.266 68.090 68.868 -0.853 0.000 0.962 326 T HN 0.778 nan 8.240 nan 0.000 0.516 327 K N 2.575 122.917 120.400 -0.097 0.000 2.160 327 K HA -0.082 4.278 4.320 0.067 0.000 0.206 327 K C 1.864 178.454 176.600 -0.016 0.000 1.047 327 K CA 1.738 57.995 56.287 -0.050 0.000 0.930 327 K CB -1.021 31.465 32.500 -0.023 0.000 0.720 327 K HN 0.603 nan 8.250 nan 0.000 0.450 328 N N 0.513 119.231 118.700 0.030 0.000 2.214 328 N HA 0.008 4.788 4.740 0.067 0.000 0.214 328 N C -0.707 174.934 175.510 0.219 0.000 1.132 328 N CA -0.068 53.038 53.050 0.092 0.000 0.856 328 N CB 0.954 39.439 38.487 -0.003 0.000 1.020 328 N HN 0.429 nan 8.380 nan 0.000 0.509 329 E N 1.233 121.510 120.200 0.128 0.000 1.802 329 E HA 0.042 4.432 4.350 0.067 0.000 0.265 329 E C 1.016 177.626 176.600 0.018 0.000 1.168 329 E CA 0.099 56.552 56.400 0.087 0.000 1.033 329 E CB 0.159 29.867 29.700 0.012 0.000 1.095 329 E HN 0.286 nan 8.360 nan 0.000 0.436 330 T N -2.004 112.575 114.554 0.043 0.000 3.065 330 T HA 0.008 4.398 4.350 0.067 0.000 0.252 330 T C 0.840 175.530 174.700 -0.017 0.000 1.099 330 T CA -0.000 62.106 62.100 0.011 0.000 1.063 330 T CB 0.251 69.139 68.868 0.034 0.000 0.948 330 T HN -0.030 nan 8.240 nan 0.000 0.506 331 D N 1.132 121.514 120.400 -0.029 0.000 2.347 331 D HA 0.209 4.890 4.640 0.067 0.000 0.213 331 D C 0.599 176.858 176.300 -0.069 0.000 0.985 331 D CA 0.139 54.110 54.000 -0.049 0.000 0.879 331 D CB -0.084 40.680 40.800 -0.061 0.000 0.919 331 D HN 0.444 nan 8.370 nan 0.000 0.526 332 L N 1.118 122.292 121.223 -0.082 0.000 2.417 332 L HA 0.113 4.493 4.340 0.067 0.000 0.268 332 L C 0.603 177.408 176.870 -0.108 0.000 1.158 332 L CA -0.679 54.087 54.840 -0.123 0.000 0.819 332 L CB 0.507 42.481 42.059 -0.142 0.000 1.112 332 L HN -0.146 nan 8.230 nan 0.000 0.458 333 D N 3.521 123.845 120.400 -0.126 0.000 2.425 333 D HA 0.073 4.753 4.640 0.067 0.000 0.247 333 D C -1.675 174.581 176.300 -0.073 0.000 1.147 333 D CA -1.560 52.396 54.000 -0.073 0.000 0.879 333 D CB 1.376 42.153 40.800 -0.037 0.000 1.179 333 D HN 0.162 nan 8.370 nan 0.000 0.456 334 P HA -0.210 nan 4.420 nan 0.000 0.217 334 P C 1.500 178.742 177.300 -0.097 0.000 1.151 334 P CA 0.587 63.634 63.100 -0.088 0.000 0.849 334 P CB 0.152 31.807 31.700 -0.075 0.000 0.787 335 V N -0.912 118.979 119.914 -0.039 0.000 2.515 335 V HA -0.180 3.981 4.120 0.067 0.000 0.250 335 V C 2.062 178.173 176.094 0.029 0.000 1.058 335 V CA 1.500 63.791 62.300 -0.015 0.000 1.064 335 V CB -0.974 30.863 31.823 0.023 0.000 0.675 335 V HN -0.032 nan 8.190 nan 0.000 0.461 336 L N 0.716 121.967 121.223 0.046 0.000 2.007 336 L HA -0.038 4.342 4.340 0.067 0.000 0.205 336 L C 2.602 179.438 176.870 -0.057 0.000 1.073 336 L CA 2.543 57.392 54.840 0.014 0.000 0.744 336 L CB -1.165 40.774 42.059 -0.199 0.000 0.898 336 L HN 0.320 nan 8.230 nan 0.000 0.435 337 R N -0.454 119.971 120.500 -0.125 0.000 2.103 337 R HA -0.199 4.181 4.340 0.067 0.000 0.242 337 R C 1.918 178.109 176.300 -0.181 0.000 1.142 337 R CA 1.775 57.773 56.100 -0.171 0.000 0.960 337 R CB -0.299 29.899 30.300 -0.169 0.000 0.858 337 R HN 0.503 nan 8.270 nan 0.000 0.439 338 N N -0.471 118.111 118.700 -0.196 0.000 2.381 338 N HA -0.083 4.697 4.740 0.067 0.000 0.182 338 N C 1.203 176.615 175.510 -0.163 0.000 1.025 338 N CA 1.383 54.269 53.050 -0.273 0.000 0.888 338 N CB 0.002 38.168 38.487 -0.535 0.000 0.965 338 N HN 0.403 nan 8.380 nan 0.000 0.438 339 G N -0.430 108.325 108.800 -0.074 0.000 3.337 339 G HA2 0.297 4.297 3.960 0.067 0.000 0.246 339 G HA3 0.297 4.297 3.960 0.067 0.000 0.246 339 G C 0.182 175.153 174.900 0.118 0.000 1.131 339 G CA -0.226 44.886 45.100 0.020 0.000 0.773 339 G HN 0.076 nan 8.290 nan 0.000 0.544 340 L N 0.976 122.187 121.223 -0.021 0.000 2.325 340 L HA 0.758 5.139 4.340 0.067 0.000 0.278 340 L C -0.260 176.516 176.870 -0.156 0.000 1.023 340 L CA -0.903 53.872 54.840 -0.109 0.000 0.811 340 L CB 2.215 44.105 42.059 -0.281 0.000 1.249 340 L HN 0.047 nan 8.230 nan 0.000 0.431 341 A N 2.906 125.672 122.820 -0.091 0.000 2.414 341 A HA 0.705 5.065 4.320 0.067 0.000 0.286 341 A C -1.040 176.635 177.584 0.152 0.000 1.073 341 A CA -0.453 51.569 52.037 -0.024 0.000 0.727 341 A CB 0.658 19.709 19.000 0.085 0.000 1.215 341 A HN 0.409 nan 8.150 nan 0.000 0.430 342 F N 1.241 121.132 119.950 -0.099 0.000 2.266 342 F HA 0.668 5.209 4.527 0.023 0.000 0.306 342 F C 2.000 177.766 175.800 -0.058 0.000 1.016 342 F CA -0.564 57.363 58.000 -0.120 0.000 1.127 342 F CB -0.086 38.846 39.000 -0.113 0.000 1.735 342 F HN 0.600 nan 8.300 nan 0.000 0.540 343 A N 0.287 123.197 122.820 0.150 0.000 1.859 343 A HA -0.207 4.153 4.320 0.067 0.000 0.217 343 A C 1.867 179.542 177.584 0.152 0.000 1.198 343 A CA 2.346 54.425 52.037 0.068 0.000 0.629 343 A CB -1.045 17.883 19.000 -0.121 0.000 0.830 343 A HN 0.683 nan 8.150 nan 0.000 0.446 344 D N -0.452 120.053 120.400 0.175 0.000 2.123 344 D HA -0.113 4.567 4.640 0.067 0.000 0.196 344 D C 1.905 178.277 176.300 0.120 0.000 0.992 344 D CA 1.626 55.730 54.000 0.173 0.000 0.833 344 D CB -0.423 40.468 40.800 0.152 0.000 0.954 344 D HN 0.544 nan 8.370 nan 0.000 0.455 345 E N 0.566 120.823 120.200 0.096 0.000 2.150 345 E HA -0.086 4.304 4.350 0.067 0.000 0.193 345 E C 1.901 178.566 176.600 0.108 0.000 0.985 345 E CA 0.759 57.205 56.400 0.077 0.000 0.814 345 E CB -0.047 29.668 29.700 0.026 0.000 0.752 345 E HN 0.273 nan 8.360 nan 0.000 0.466 346 K N 0.104 120.576 120.400 0.120 0.000 2.148 346 K HA -0.021 4.339 4.320 0.067 0.000 0.204 346 K C 1.995 178.666 176.600 0.119 0.000 1.050 346 K CA 0.704 57.068 56.287 0.128 0.000 0.942 346 K CB -0.097 32.479 32.500 0.126 0.000 0.724 346 K HN 0.121 nan 8.250 nan 0.000 0.446 347 L N 0.545 121.837 121.223 0.115 0.000 2.046 347 L HA -0.183 4.197 4.340 0.067 0.000 0.208 347 L C 2.330 179.250 176.870 0.083 0.000 1.077 347 L CA 1.272 56.169 54.840 0.095 0.000 0.747 347 L CB -0.754 41.359 42.059 0.091 0.000 0.896 347 L HN 0.187 nan 8.230 nan 0.000 0.432 348 T N -0.886 113.723 114.554 0.092 0.000 2.777 348 T HA -0.175 4.216 4.350 0.067 0.000 0.266 348 T C 1.752 176.522 174.700 0.118 0.000 1.040 348 T CA 1.233 63.389 62.100 0.094 0.000 1.141 348 T CB -0.124 68.802 68.868 0.097 0.000 0.868 348 T HN 0.363 nan 8.240 nan 0.000 0.444 349 E N 0.280 120.566 120.200 0.144 0.000 2.058 349 E HA -0.117 4.273 4.350 0.067 0.000 0.194 349 E C 2.324 179.001 176.600 0.127 0.000 0.997 349 E CA 1.022 57.545 56.400 0.206 0.000 0.801 349 E CB -0.352 29.481 29.700 0.222 0.000 0.746 349 E HN 0.171 nan 8.360 nan 0.000 0.450 350 V N 1.268 121.234 119.914 0.085 0.000 2.392 350 V HA -0.286 3.875 4.120 0.067 0.000 0.249 350 V C 2.276 178.369 176.094 -0.001 0.000 1.059 350 V CA 2.106 64.425 62.300 0.032 0.000 1.051 350 V CB -0.188 31.660 31.823 0.041 0.000 0.658 350 V HN 0.120 nan 8.190 nan 0.000 0.455 351 K N 0.372 120.785 120.400 0.021 0.000 2.057 351 K HA -0.137 4.223 4.320 0.067 0.000 0.206 351 K C 2.210 178.811 176.600 0.003 0.000 1.050 351 K CA 1.717 58.010 56.287 0.009 0.000 0.935 351 K CB -0.369 32.148 32.500 0.027 0.000 0.715 351 K HN 0.449 nan 8.250 nan 0.000 0.439 352 R N -0.031 120.487 120.500 0.030 0.000 2.115 352 R HA -0.003 4.377 4.340 0.067 0.000 0.230 352 R C 2.339 178.603 176.300 -0.061 0.000 1.111 352 R CA 1.347 57.473 56.100 0.043 0.000 0.976 352 R CB -0.376 30.021 30.300 0.162 0.000 0.870 352 R HN 0.178 nan 8.270 nan 0.000 0.445 353 L N 0.122 121.226 121.223 -0.198 0.000 2.046 353 L HA -0.159 4.221 4.340 0.067 0.000 0.208 353 L C 2.659 179.454 176.870 -0.125 0.000 1.077 353 L CA 1.282 55.960 54.840 -0.269 0.000 0.747 353 L CB -0.535 41.345 42.059 -0.299 0.000 0.896 353 L HN 0.242 nan 8.230 nan 0.000 0.432 354 A N -0.264 122.500 122.820 -0.095 0.000 1.898 354 A HA -0.205 4.155 4.320 0.067 0.000 0.216 354 A C 2.172 179.709 177.584 -0.078 0.000 1.181 354 A CA 1.571 53.557 52.037 -0.084 0.000 0.620 354 A CB -0.380 18.574 19.000 -0.077 0.000 0.819 354 A HN 0.442 nan 8.150 nan 0.000 0.442 355 E N -1.495 118.670 120.200 -0.058 0.000 2.152 355 E HA -0.171 4.219 4.350 0.067 0.000 0.192 355 E C 1.976 178.518 176.600 -0.096 0.000 0.983 355 E CA 0.783 57.147 56.400 -0.060 0.000 0.818 355 E CB -0.286 29.399 29.700 -0.026 0.000 0.758 355 E HN 0.805 nan 8.360 nan 0.000 0.467 356 H N 0.816 119.753 119.070 -0.221 0.000 2.357 356 H HA -0.115 4.482 4.556 0.069 0.000 0.301 356 H C 2.255 177.414 175.328 -0.281 0.000 1.082 356 H CA 1.100 56.927 56.048 -0.368 0.000 1.342 356 H CB 0.126 29.484 29.762 -0.675 0.000 1.389 356 H HN 0.144 nan 8.280 nan 0.000 0.511 357 L N 1.450 122.573 121.223 -0.166 0.000 2.131 357 L HA -0.120 4.260 4.340 0.067 0.000 0.210 357 L C 1.272 178.030 176.870 -0.187 0.000 1.092 357 L CA 1.738 56.477 54.840 -0.169 0.000 0.759 357 L CB -0.455 41.542 42.059 -0.104 0.000 0.903 357 L HN 0.121 nan 8.230 nan 0.000 0.435 358 D N -0.060 120.243 120.400 -0.162 0.000 2.363 358 D HA 0.136 4.816 4.640 0.067 0.000 0.226 358 D C 1.625 177.831 176.300 -0.157 0.000 1.020 358 D CA 0.949 54.868 54.000 -0.134 0.000 0.892 358 D CB -0.004 40.737 40.800 -0.100 0.000 0.900 358 D HN 0.501 nan 8.370 nan 0.000 0.531 359 G N -0.005 108.655 108.800 -0.234 0.000 2.143 359 G HA2 -0.295 3.705 3.960 0.067 0.000 0.249 359 G HA3 -0.295 3.705 3.960 0.067 0.000 0.249 359 G C 0.671 175.457 174.900 -0.191 0.000 0.981 359 G CA 0.353 45.308 45.100 -0.242 0.000 0.665 359 G HN 0.718 nan 8.290 nan 0.000 0.528 360 R N 0.410 120.810 120.500 -0.167 0.000 2.539 360 R HA 0.639 5.019 4.340 0.067 0.000 0.275 360 R C 0.264 176.498 176.300 -0.109 0.000 1.077 360 R CA 0.153 56.187 56.100 -0.110 0.000 1.097 360 R CB 0.230 30.485 30.300 -0.074 0.000 1.018 360 R HN 0.418 nan 8.270 nan 0.000 0.483 361 E N 1.712 121.874 120.200 -0.063 0.000 2.156 361 E HA 0.299 4.689 4.350 0.067 0.000 0.279 361 E C -1.276 175.330 176.600 0.009 0.000 0.965 361 E CA -0.610 55.770 56.400 -0.033 0.000 0.789 361 E CB 1.789 31.474 29.700 -0.024 0.000 1.098 361 E HN 0.645 nan 8.360 nan 0.000 0.397 362 D N 3.548 123.979 120.400 0.050 0.000 2.736 362 D HA 0.247 4.928 4.640 0.067 0.000 0.243 362 D C -2.055 174.324 176.300 0.131 0.000 1.304 362 D CA -2.079 51.974 54.000 0.087 0.000 0.934 362 D CB 2.088 42.951 40.800 0.105 0.000 1.382 362 D HN -0.062 nan 8.370 nan 0.000 0.571 363 P HA -0.064 nan 4.420 nan 0.000 0.219 363 P C 1.035 178.402 177.300 0.113 0.000 1.146 363 P CA 0.955 64.111 63.100 0.093 0.000 0.808 363 P CB 0.315 32.051 31.700 0.060 0.000 0.779 364 A N -1.603 121.295 122.820 0.130 0.000 1.972 364 A HA -0.226 4.134 4.320 0.067 0.000 0.219 364 A C 2.192 179.898 177.584 0.202 0.000 1.169 364 A CA 1.222 53.342 52.037 0.140 0.000 0.635 364 A CB -1.676 17.410 19.000 0.144 0.000 0.810 364 A HN 0.172 nan 8.150 nan 0.000 0.446 365 Y N 0.956 121.340 120.300 0.140 0.000 2.070 365 Y HA -0.247 4.344 4.550 0.069 0.000 0.280 365 Y C 1.947 177.954 175.900 0.178 0.000 1.148 365 Y CA 2.310 60.531 58.100 0.201 0.000 1.125 365 Y CB -0.165 38.360 38.460 0.109 0.000 0.975 365 Y HN 0.330 nan 8.280 nan 0.000 0.492 366 D N -0.158 120.402 120.400 0.267 0.000 2.178 366 D HA -0.141 4.539 4.640 0.067 0.000 0.202 366 D C 2.071 178.366 176.300 -0.009 0.000 0.974 366 D CA 0.924 54.999 54.000 0.125 0.000 0.841 366 D CB -0.399 40.490 40.800 0.148 0.000 0.953 366 D HN 0.350 nan 8.370 nan 0.000 0.478 367 L N 0.559 121.764 121.223 -0.032 0.000 2.083 367 L HA -0.146 4.234 4.340 0.067 0.000 0.209 367 L C 2.126 178.790 176.870 -0.342 0.000 1.083 367 L CA 1.750 56.469 54.840 -0.201 0.000 0.752 367 L CB -0.710 41.254 42.059 -0.159 0.000 0.899 367 L HN 0.167 nan 8.230 nan 0.000 0.433 368 H N -0.158 118.747 119.070 -0.275 0.000 2.321 368 H HA -0.140 4.450 4.556 0.056 0.000 0.300 368 H C 2.238 177.384 175.328 -0.304 0.000 1.087 368 H CA 2.401 58.251 56.048 -0.331 0.000 1.319 368 H CB 0.048 29.483 29.762 -0.545 0.000 1.379 368 H HN 0.432 nan 8.280 nan 0.000 0.501 369 I N 0.755 121.248 120.570 -0.128 0.000 2.361 369 I HA -0.232 3.978 4.170 0.067 0.000 0.251 369 I C 2.957 179.065 176.117 -0.015 0.000 1.133 369 I CA 0.868 62.128 61.300 -0.067 0.000 1.413 369 I CB -0.402 37.561 38.000 -0.061 0.000 1.073 369 I HN 0.247 nan 8.210 nan 0.000 0.424 370 A N 0.379 123.143 122.820 -0.093 0.000 1.877 370 A HA -0.241 4.119 4.320 0.067 0.000 0.216 370 A C 2.089 179.657 177.584 -0.027 0.000 1.186 370 A CA 1.695 53.683 52.037 -0.081 0.000 0.620 370 A CB -1.117 17.792 19.000 -0.153 0.000 0.822 370 A HN 0.465 nan 8.150 nan 0.000 0.443 371 H N -2.786 116.237 119.070 -0.079 0.000 2.357 371 H HA -0.100 4.495 4.556 0.064 0.000 0.301 371 H C 1.929 177.193 175.328 -0.105 0.000 1.082 371 H CA 1.332 57.314 56.048 -0.111 0.000 1.342 371 H CB -0.183 29.478 29.762 -0.169 0.000 1.389 371 H HN 0.565 nan 8.280 nan 0.000 0.511 372 F N 2.031 121.887 119.950 -0.156 0.000 2.095 372 F HA -0.250 4.310 4.527 0.055 0.000 0.298 372 F C 1.784 177.539 175.800 -0.075 0.000 1.104 372 F CA 1.599 59.509 58.000 -0.149 0.000 1.232 372 F CB -0.117 38.766 39.000 -0.195 0.000 0.987 372 F HN 0.065 nan 8.300 nan 0.000 0.475 373 D N 0.307 120.763 120.400 0.094 0.000 2.144 373 D HA -0.142 4.539 4.640 0.067 0.000 0.199 373 D C 2.357 178.613 176.300 -0.074 0.000 0.984 373 D CA 1.369 55.379 54.000 0.016 0.000 0.834 373 D CB -0.648 40.186 40.800 0.056 0.000 0.955 373 D HN 0.388 nan 8.370 nan 0.000 0.465 374 A N 0.600 123.391 122.820 -0.049 0.000 1.933 374 A HA -0.136 4.224 4.320 0.067 0.000 0.218 374 A C 2.126 179.635 177.584 -0.124 0.000 1.175 374 A CA 0.998 52.998 52.037 -0.062 0.000 0.628 374 A CB -0.626 18.370 19.000 -0.007 0.000 0.814 374 A HN 0.263 nan 8.150 nan 0.000 0.444 375 L N -0.327 120.806 121.223 -0.149 0.000 2.027 375 L HA -0.169 4.211 4.340 0.067 0.000 0.206 375 L C 2.292 179.030 176.870 -0.221 0.000 1.074 375 L CA 2.282 57.031 54.840 -0.151 0.000 0.745 375 L CB -0.733 41.232 42.059 -0.155 0.000 0.898 375 L HN 0.386 nan 8.230 nan 0.000 0.433 376 Q N 0.040 119.652 119.800 -0.314 0.000 2.226 376 Q HA -0.063 4.317 4.340 0.067 0.000 0.204 376 Q C 2.040 177.922 176.000 -0.197 0.000 0.975 376 Q CA 1.479 57.116 55.803 -0.277 0.000 0.866 376 Q CB -0.696 27.867 28.738 -0.292 0.000 0.915 376 Q HN 0.689 nan 8.270 nan 0.000 0.440 377 A N 0.355 123.062 122.820 -0.189 0.000 2.267 377 A HA 0.438 4.798 4.320 0.067 0.000 0.213 377 A C 1.021 178.464 177.584 -0.236 0.000 1.192 377 A CA 0.342 52.279 52.037 -0.167 0.000 0.851 377 A CB -0.054 18.875 19.000 -0.119 0.000 0.881 377 A HN 0.239 nan 8.150 nan 0.000 0.494 378 A N 1.313 123.914 122.820 -0.365 0.000 2.561 378 A HA 0.259 4.619 4.320 0.067 0.000 0.234 378 A C 1.293 178.525 177.584 -0.587 0.000 1.055 378 A CA 0.387 52.041 52.037 -0.637 0.000 0.756 378 A CB 0.207 18.425 19.000 -1.304 0.000 0.986 378 A HN 0.561 nan 8.150 nan 0.000 0.505 379 D N 1.941 122.063 120.400 -0.465 0.000 2.182 379 D HA -0.262 4.418 4.640 0.067 0.000 0.201 379 D C 1.099 177.311 176.300 -0.147 0.000 0.986 379 D CA 2.008 55.870 54.000 -0.230 0.000 0.847 379 D CB -0.608 40.125 40.800 -0.111 0.000 0.942 379 D HN 0.655 nan 8.370 nan 0.000 0.467 380 F N 0.182 120.152 119.950 0.034 0.000 2.604 380 F HA 0.291 4.858 4.527 0.066 0.000 0.298 380 F C 1.795 177.584 175.800 -0.019 0.000 1.131 380 F CA -0.273 57.746 58.000 0.033 0.000 1.457 380 F CB -0.616 38.460 39.000 0.127 0.000 1.095 380 F HN -0.202 nan 8.300 nan 0.000 0.574 381 R N 0.433 120.979 120.500 0.076 0.000 2.466 381 R HA 0.128 4.508 4.340 0.067 0.000 0.279 381 R C 0.283 176.568 176.300 -0.025 0.000 0.976 381 R CA 0.114 56.245 56.100 0.051 0.000 1.081 381 R CB -0.388 29.912 30.300 -0.001 0.000 1.215 381 R HN 0.197 nan 8.270 nan 0.000 0.546 382 N N -0.013 118.671 118.700 -0.026 0.000 2.307 382 N HA 0.042 4.823 4.740 0.067 0.000 0.248 382 N C -0.817 174.689 175.510 -0.007 0.000 1.322 382 N CA -0.034 52.997 53.050 -0.032 0.000 0.861 382 N CB 0.884 39.335 38.487 -0.060 0.000 1.303 382 N HN -0.190 nan 8.380 nan 0.000 0.498 383 V N 1.500 121.423 119.914 0.016 0.000 2.655 383 V HA 0.073 4.234 4.120 0.067 0.000 0.300 383 V C 0.712 176.816 176.094 0.018 0.000 1.044 383 V CA -0.250 62.065 62.300 0.025 0.000 1.095 383 V CB 0.696 32.545 31.823 0.042 0.000 0.952 383 V HN 0.196 nan 8.190 nan 0.000 0.485 384 K N 5.809 126.219 120.400 0.017 0.000 2.310 384 K HA 0.429 4.789 4.320 0.067 0.000 0.290 384 K C -0.688 175.925 176.600 0.021 0.000 1.077 384 K CA 0.170 56.466 56.287 0.015 0.000 0.922 384 K CB -0.037 32.471 32.500 0.012 0.000 1.057 384 K HN 0.594 nan 8.250 nan 0.000 0.479 385 L N 1.795 123.031 121.223 0.022 0.000 2.544 385 L HA 0.430 4.810 4.340 0.067 0.000 0.256 385 L C 0.513 177.397 176.870 0.023 0.000 1.097 385 L CA -1.186 53.670 54.840 0.027 0.000 0.812 385 L CB 0.689 42.766 42.059 0.031 0.000 1.440 385 L HN 0.645 nan 8.230 nan 0.000 0.496 386 E N 0.855 121.070 120.200 0.024 0.000 2.376 386 E HA -0.075 4.315 4.350 0.067 0.000 0.266 386 E C -0.805 175.806 176.600 0.018 0.000 1.009 386 E CA -0.492 55.919 56.400 0.018 0.000 0.902 386 E CB 0.676 30.384 29.700 0.013 0.000 0.972 386 E HN 0.340 nan 8.360 nan 0.000 0.439 387 D N 4.425 124.834 120.400 0.015 0.000 2.382 387 D HA -0.050 4.630 4.640 0.067 0.000 0.259 387 D C 0.859 177.170 176.300 0.020 0.000 1.224 387 D CA 0.311 54.321 54.000 0.016 0.000 0.894 387 D CB 0.678 41.486 40.800 0.012 0.000 1.127 387 D HN 0.536 nan 8.370 nan 0.000 0.487 388 L N 3.037 124.278 121.223 0.029 0.000 2.201 388 L HA -0.167 4.213 4.340 0.067 0.000 0.212 388 L C 2.408 179.300 176.870 0.037 0.000 1.105 388 L CA 1.109 55.973 54.840 0.040 0.000 0.775 388 L CB -0.336 41.763 42.059 0.066 0.000 0.913 388 L HN 0.467 nan 8.230 nan 0.000 0.440 389 S N -0.354 115.364 115.700 0.030 0.000 2.500 389 S HA -0.129 4.381 4.470 0.067 0.000 0.239 389 S C 1.636 176.245 174.600 0.016 0.000 0.989 389 S CA 0.574 58.789 58.200 0.025 0.000 0.951 389 S CB -0.258 62.953 63.200 0.019 0.000 0.759 389 S HN 0.454 nan 8.310 nan 0.000 0.523 390 R N 0.539 121.046 120.500 0.011 0.000 2.586 390 R HA 0.392 4.772 4.340 0.067 0.000 0.336 390 R C -1.065 175.234 176.300 -0.002 0.000 1.060 390 R CA -0.096 56.006 56.100 0.004 0.000 1.079 390 R CB 0.853 31.155 30.300 0.002 0.000 1.317 390 R HN 0.258 nan 8.270 nan 0.000 0.568 391 V N 1.308 121.222 119.914 -0.000 0.000 2.487 391 V HA 0.410 4.571 4.120 0.067 0.000 0.298 391 V C 0.262 176.343 176.094 -0.021 0.000 1.028 391 V CA -1.175 61.118 62.300 -0.012 0.000 0.860 391 V CB 1.615 33.432 31.823 -0.009 0.000 0.991 391 V HN 0.283 nan 8.190 nan 0.000 0.427 392 A N 3.416 126.215 122.820 -0.034 0.000 2.511 392 A HA 0.422 4.782 4.320 0.067 0.000 0.242 392 A C 0.940 178.485 177.584 -0.064 0.000 1.069 392 A CA 0.385 52.394 52.037 -0.046 0.000 0.763 392 A CB 0.103 19.072 19.000 -0.050 0.000 1.001 392 A HN 0.889 nan 8.150 nan 0.000 0.498 393 T N 0.573 115.082 114.554 -0.075 0.000 3.091 393 T HA 0.285 4.675 4.350 0.067 0.000 0.277 393 T C 0.032 174.620 174.700 -0.185 0.000 0.996 393 T CA 0.504 62.538 62.100 -0.110 0.000 0.897 393 T CB -0.225 68.581 68.868 -0.104 0.000 1.109 393 T HN 0.741 nan 8.240 nan 0.000 0.534 394 K N 1.218 121.523 120.400 -0.158 0.000 2.542 394 K HA 0.519 4.879 4.320 0.067 0.000 0.259 394 K C -1.495 175.035 176.600 -0.116 0.000 0.932 394 K CA -0.977 55.193 56.287 -0.195 0.000 0.820 394 K CB 1.412 33.809 32.500 -0.172 0.000 1.345 394 K HN 0.257 nan 8.250 nan 0.000 0.432 395 R N 2.757 123.196 120.500 -0.101 0.000 2.539 395 R HA 0.254 4.634 4.340 0.067 0.000 0.275 395 R C -1.546 174.722 176.300 -0.053 0.000 1.077 395 R CA -1.610 54.452 56.100 -0.064 0.000 1.097 395 R CB 0.555 30.828 30.300 -0.045 0.000 1.018 395 R HN 0.466 nan 8.270 nan 0.000 0.483 396 P HA -0.089 nan 4.420 nan 0.000 0.219 396 P C -0.402 176.881 177.300 -0.029 0.000 1.146 396 P CA 1.312 64.392 63.100 -0.032 0.000 0.808 396 P CB 0.414 32.099 31.700 -0.025 0.000 0.779 397 S N -0.487 115.197 115.700 -0.027 0.000 2.566 397 S HA 0.290 4.800 4.470 0.067 0.000 0.298 397 S C -0.591 173.992 174.600 -0.027 0.000 1.083 397 S CA -0.867 57.319 58.200 -0.023 0.000 0.978 397 S CB 1.445 64.636 63.200 -0.016 0.000 1.073 397 S HN 0.135 nan 8.310 nan 0.000 0.491 398 D N 0.479 120.862 120.400 -0.027 0.000 2.377 398 D HA 0.227 4.907 4.640 0.067 0.000 0.245 398 D C 1.727 178.009 176.300 -0.029 0.000 1.196 398 D CA -0.431 53.550 54.000 -0.032 0.000 0.962 398 D CB 0.038 40.818 40.800 -0.034 0.000 1.127 398 D HN 0.392 nan 8.370 nan 0.000 0.471 399 F N -0.144 119.783 119.950 -0.038 0.000 2.063 399 F HA -0.102 4.465 4.527 0.067 0.000 0.298 399 F C 2.846 178.627 175.800 -0.031 0.000 1.109 399 F CA 2.936 60.912 58.000 -0.040 0.000 1.212 399 F CB -1.513 37.444 39.000 -0.071 0.000 0.973 399 F HN 0.750 nan 8.300 nan 0.000 0.480 400 A N -0.545 122.253 122.820 -0.036 0.000 1.869 400 A HA -0.293 4.067 4.320 0.067 0.000 0.218 400 A C 2.188 179.763 177.584 -0.015 0.000 1.203 400 A CA 2.493 54.514 52.037 -0.026 0.000 0.638 400 A CB -1.311 17.673 19.000 -0.027 0.000 0.831 400 A HN 0.687 nan 8.150 nan 0.000 0.450 401 K N -0.718 119.674 120.400 -0.015 0.000 2.103 401 K HA -0.165 4.195 4.320 0.067 0.000 0.207 401 K C 2.323 178.922 176.600 -0.003 0.000 1.048 401 K CA 1.528 57.809 56.287 -0.009 0.000 0.930 401 K CB -0.136 32.358 32.500 -0.011 0.000 0.716 401 K HN 0.512 nan 8.250 nan 0.000 0.444 402 R N -0.625 119.874 120.500 -0.002 0.000 2.073 402 R HA -0.082 4.298 4.340 0.067 0.000 0.229 402 R C 2.731 179.043 176.300 0.019 0.000 1.120 402 R CA 1.341 57.446 56.100 0.008 0.000 0.967 402 R CB -0.470 29.835 30.300 0.008 0.000 0.862 402 R HN 0.175 nan 8.270 nan 0.000 0.436 403 R N 1.866 122.375 120.500 0.015 0.000 2.103 403 R HA -0.182 4.198 4.340 0.067 0.000 0.242 403 R C 1.635 177.952 176.300 0.029 0.000 1.142 403 R CA 2.202 58.318 56.100 0.028 0.000 0.960 403 R CB -1.356 28.952 30.300 0.014 0.000 0.858 403 R HN 0.256 nan 8.270 nan 0.000 0.439 404 D N 0.342 120.752 120.400 0.016 0.000 2.097 404 D HA -0.027 4.653 4.640 0.067 0.000 0.197 404 D C 2.029 178.340 176.300 0.018 0.000 0.984 404 D CA 1.372 55.381 54.000 0.014 0.000 0.826 404 D CB -0.265 40.539 40.800 0.007 0.000 0.973 404 D HN 0.499 nan 8.370 nan 0.000 0.460 405 I N 0.927 121.507 120.570 0.017 0.000 2.208 405 I HA -0.312 3.898 4.170 0.067 0.000 0.245 405 I C 2.414 178.547 176.117 0.028 0.000 1.097 405 I CA 1.271 62.581 61.300 0.018 0.000 1.363 405 I CB -0.257 37.752 38.000 0.014 0.000 1.051 405 I HN 0.004 nan 8.210 nan 0.000 0.413 406 Q N 0.176 120.000 119.800 0.040 0.000 2.079 406 Q HA -0.236 4.144 4.340 0.067 0.000 0.200 406 Q C 2.619 178.656 176.000 0.061 0.000 0.974 406 Q CA 1.878 57.717 55.803 0.060 0.000 0.840 406 Q CB -0.402 28.387 28.738 0.085 0.000 0.898 406 Q HN 0.686 nan 8.270 nan 0.000 0.430 407 Q N 0.886 120.717 119.800 0.051 0.000 2.124 407 Q HA -0.192 4.188 4.340 0.067 0.000 0.202 407 Q C 1.919 177.934 176.000 0.025 0.000 0.977 407 Q CA 1.940 57.766 55.803 0.039 0.000 0.850 407 Q CB -1.319 27.436 28.738 0.028 0.000 0.901 407 Q HN 0.706 nan 8.270 nan 0.000 0.429 408 E N 0.961 121.175 120.200 0.022 0.000 2.208 408 E HA -0.098 4.292 4.350 0.067 0.000 0.193 408 E C 1.863 178.473 176.600 0.016 0.000 0.988 408 E CA 1.449 57.858 56.400 0.015 0.000 0.828 408 E CB -0.325 29.382 29.700 0.012 0.000 0.763 408 E HN 0.805 nan 8.360 nan 0.000 0.478 409 K N -0.724 119.690 120.400 0.024 0.000 2.166 409 K HA 0.170 4.530 4.320 0.067 0.000 0.201 409 K C 2.089 178.705 176.600 0.027 0.000 1.052 409 K CA 0.604 56.906 56.287 0.024 0.000 0.969 409 K CB 0.026 32.543 32.500 0.029 0.000 0.761 409 K HN 0.353 nan 8.250 nan 0.000 0.459 410 L N -0.264 120.981 121.223 0.037 0.000 2.253 410 L HA 0.073 4.453 4.340 0.067 0.000 0.205 410 L C 0.956 177.837 176.870 0.018 0.000 1.078 410 L CA 0.859 55.723 54.840 0.040 0.000 0.805 410 L CB -0.604 41.499 42.059 0.074 0.000 0.963 410 L HN 0.566 nan 8.230 nan 0.000 0.459 411 H N 0.003 119.080 119.070 0.011 0.000 2.692 411 H HA -0.149 4.447 4.556 0.067 0.000 0.316 411 H C 0.342 175.655 175.328 -0.026 0.000 1.176 411 H CA 0.442 56.486 56.048 -0.006 0.000 1.142 411 H CB -2.859 26.900 29.762 -0.006 0.000 1.475 411 H HN 0.254 nan 8.280 nan 0.000 0.423 412 L N 0.748 121.946 121.223 -0.041 0.000 2.417 412 L HA 0.418 4.798 4.340 0.067 0.000 0.268 412 L C -0.938 175.864 176.870 -0.115 0.000 1.158 412 L CA -1.519 53.262 54.840 -0.099 0.000 0.819 412 L CB 1.031 42.988 42.059 -0.170 0.000 1.112 412 L HN 0.544 nan 8.230 nan 0.000 0.458 413 P HA 0.077 nan 4.420 nan 0.000 0.272 413 P C -0.544 176.671 177.300 -0.142 0.000 1.240 413 P CA -0.699 62.335 63.100 -0.110 0.000 0.791 413 P CB 0.868 32.508 31.700 -0.099 0.000 0.978 414 L N 2.555 123.721 121.223 -0.094 0.000 2.485 414 L HA 0.005 4.385 4.340 0.067 0.000 0.275 414 L C 0.576 177.385 176.870 -0.100 0.000 1.207 414 L CA 0.251 55.043 54.840 -0.081 0.000 0.855 414 L CB -0.765 41.273 42.059 -0.035 0.000 1.114 414 L HN 0.322 nan 8.230 nan 0.000 0.485 415 L N 3.726 124.892 121.223 -0.094 0.000 3.746 415 L HA -0.184 4.196 4.340 0.067 0.000 0.542 415 L C -2.103 174.659 176.870 -0.180 0.000 1.268 415 L CA -0.598 54.194 54.840 -0.080 0.000 0.818 415 L CB -1.690 40.361 42.059 -0.014 0.000 1.472 415 L HN 0.568 nan 8.230 nan 0.000 0.843 416 P HA 0.142 nan 4.420 nan 0.000 0.269 416 P C 0.201 177.342 177.300 -0.264 0.000 1.209 416 P CA 0.116 62.906 63.100 -0.517 0.000 0.776 416 P CB 0.720 31.689 31.700 -1.219 0.000 0.876 417 T N -0.795 113.692 114.554 -0.111 0.000 2.902 417 T HA 0.733 5.123 4.350 0.067 0.000 0.283 417 T C -0.210 174.577 174.700 0.145 0.000 1.009 417 T CA -0.501 61.629 62.100 0.050 0.000 1.051 417 T CB 1.375 70.266 68.868 0.039 0.000 0.999 417 T HN 0.463 nan 8.240 nan 0.000 0.474 418 T N 0.383 115.073 114.554 0.226 0.000 2.677 418 T HA 0.654 5.045 4.350 0.067 0.000 0.305 418 T C -1.277 173.527 174.700 0.173 0.000 1.569 418 T CA -0.240 62.007 62.100 0.244 0.000 0.984 418 T CB 1.245 70.358 68.868 0.408 0.000 1.629 418 T HN 1.233 nan 8.240 nan 0.000 0.494 419 T N -0.017 114.601 114.554 0.105 0.000 2.907 419 T HA 0.597 4.987 4.350 0.067 0.000 0.290 419 T C 1.001 175.634 174.700 -0.112 0.000 1.066 419 T CA -0.902 61.206 62.100 0.013 0.000 1.012 419 T CB 0.984 69.874 68.868 0.036 0.000 1.184 419 T HN 0.379 nan 8.240 nan 0.000 0.522 420 I N 0.527 120.974 120.570 -0.205 0.000 2.928 420 I HA 0.231 4.441 4.170 0.067 0.000 0.266 420 I C 1.979 177.895 176.117 -0.334 0.000 1.234 420 I CA 1.411 62.525 61.300 -0.311 0.000 1.483 420 I CB -1.335 36.362 38.000 -0.504 0.000 1.097 420 I HN 1.126 nan 8.210 nan 0.000 0.455 421 G N 0.385 108.929 108.800 -0.426 0.000 3.709 421 G HA2 -0.171 3.829 3.960 0.067 0.000 0.196 421 G HA3 -0.171 3.829 3.960 0.067 0.000 0.196 421 G C 0.362 174.775 174.900 -0.812 0.000 1.177 421 G CA 0.108 44.888 45.100 -0.533 0.000 0.906 421 G HN 0.420 nan 8.290 nan 0.000 0.416 422 S N 1.002 116.289 115.700 -0.687 0.000 2.554 422 S HA 0.826 5.336 4.470 0.067 0.000 0.278 422 S C -0.598 173.540 174.600 -0.769 0.000 1.242 422 S CA -0.539 57.224 58.200 -0.729 0.000 1.051 422 S CB 1.643 64.586 63.200 -0.429 0.000 0.986 422 S HN 0.321 nan 8.310 nan 0.000 0.502 423 F N 0.984 120.502 119.950 -0.720 0.000 2.541 423 F HA 0.621 5.188 4.527 0.067 0.000 0.331 423 F C -2.391 173.121 175.800 -0.481 0.000 1.057 423 F CA -2.625 54.917 58.000 -0.763 0.000 0.975 423 F CB 0.393 38.547 39.000 -1.409 0.000 1.246 423 F HN 0.347 nan 8.300 nan 0.000 0.484 424 P HA 0.189 nan 4.420 nan 0.000 0.265 424 P C -0.826 176.579 177.300 0.175 0.000 1.193 424 P CA 0.192 63.331 63.100 0.064 0.000 0.765 424 P CB 0.118 31.910 31.700 0.154 0.000 0.823 425 Q N 2.323 122.223 119.800 0.166 0.000 2.398 425 Q HA 0.504 4.884 4.340 0.067 0.000 0.251 425 Q C 0.573 176.683 176.000 0.182 0.000 0.999 425 Q CA -0.679 55.260 55.803 0.227 0.000 0.874 425 Q CB -0.060 28.795 28.738 0.195 0.000 1.215 425 Q HN 0.601 nan 8.270 nan 0.000 0.470 430 R N 2.727 123.331 120.500 0.173 0.000 2.148 430 R HA 0.253 4.633 4.340 0.067 0.000 0.223 430 R C 2.354 178.716 176.300 0.104 0.000 1.088 430 R CA 2.717 58.907 56.100 0.149 0.000 0.985 430 R CB -1.137 29.242 30.300 0.131 0.000 0.880 430 R HN 2.421 nan 8.270 nan 0.000 0.451 431 R N 0.221 120.764 120.500 0.072 0.000 2.081 431 R HA -0.083 4.297 4.340 0.067 0.000 0.235 431 R C 2.661 178.955 176.300 -0.011 0.000 1.131 431 R CA 2.160 58.280 56.100 0.033 0.000 0.960 431 R CB -1.811 28.505 30.300 0.026 0.000 0.856 431 R HN 0.576 nan 8.270 nan 0.000 0.436 432 T N -0.100 114.391 114.554 -0.104 0.000 2.746 432 T HA 0.055 4.445 4.350 0.067 0.000 0.267 432 T C 1.780 176.468 174.700 -0.019 0.000 1.039 432 T CA 1.413 63.353 62.100 -0.266 0.000 1.142 432 T CB -0.531 67.729 68.868 -1.014 0.000 0.866 432 T HN 0.892 nan 8.240 nan 0.000 0.444 440 D N -2.230 118.146 120.400 -0.041 0.000 2.934 440 D HA 0.918 5.598 4.640 0.067 0.000 0.230 440 D C -0.415 175.918 176.300 0.056 0.000 1.204 440 D CA 0.240 54.226 54.000 -0.023 0.000 0.873 440 D CB 1.492 42.278 40.800 -0.024 0.000 1.645 440 D HN 2.221 nan 8.370 nan 0.000 0.502 441 I N 0.351 120.999 120.570 0.131 0.000 2.744 441 I HA 0.707 4.917 4.170 0.067 0.000 0.285 441 I C 0.477 176.758 176.117 0.274 0.000 1.530 441 I CA -0.788 60.619 61.300 0.178 0.000 1.064 441 I CB 0.828 38.940 38.000 0.186 0.000 1.429 441 I HN 1.343 nan 8.210 nan 0.000 0.425 442 S N 2.567 118.381 115.700 0.189 0.000 2.571 442 S HA 0.340 4.850 4.470 0.067 0.000 0.298 442 S C 1.168 175.936 174.600 0.281 0.000 1.280 442 S CA 1.115 59.435 58.200 0.200 0.000 1.052 442 S CB 0.052 63.324 63.200 0.120 0.000 0.799 442 S HN 2.288 nan 8.310 nan 0.000 0.501 443 D N 2.947 123.553 120.400 0.343 0.000 2.182 443 D HA 0.029 4.709 4.640 0.067 0.000 0.201 443 D C 2.177 178.530 176.300 0.087 0.000 0.986 443 D CA 1.809 55.999 54.000 0.316 0.000 0.847 443 D CB -0.822 40.219 40.800 0.402 0.000 0.942 443 D HN 1.005 nan 8.370 nan 0.000 0.467 444 A N 0.169 123.041 122.820 0.086 0.000 1.929 444 A HA -0.024 4.336 4.320 0.067 0.000 0.216 444 A C 2.082 179.673 177.584 0.011 0.000 1.176 444 A CA 1.790 53.845 52.037 0.030 0.000 0.628 444 A CB -0.295 18.727 19.000 0.036 0.000 0.816 444 A HN 0.545 nan 8.150 nan 0.000 0.444 445 E N -1.587 118.641 120.200 0.046 0.000 2.047 445 E HA -0.186 4.204 4.350 0.067 0.000 0.191 445 E C 1.887 178.506 176.600 0.032 0.000 0.987 445 E CA 1.374 57.801 56.400 0.046 0.000 0.799 445 E CB -0.324 29.418 29.700 0.069 0.000 0.752 445 E HN 0.739 nan 8.360 nan 0.000 0.449 446 Y N 1.627 121.823 120.300 -0.173 0.000 2.128 446 Y HA -0.305 4.285 4.550 0.067 0.000 0.284 446 Y C 2.447 178.212 175.900 -0.225 0.000 1.154 446 Y CA 2.573 60.464 58.100 -0.348 0.000 1.149 446 Y CB -0.526 37.355 38.460 -0.965 0.000 0.976 446 Y HN -0.066 nan 8.280 nan 0.000 0.505 447 K N -0.058 120.171 120.400 -0.285 0.000 2.057 447 K HA -0.133 4.227 4.320 0.067 0.000 0.206 447 K C 2.161 178.610 176.600 -0.251 0.000 1.050 447 K CA 2.102 58.207 56.287 -0.303 0.000 0.935 447 K CB -1.761 30.633 32.500 -0.177 0.000 0.715 447 K HN 0.628 nan 8.250 nan 0.000 0.439 448 Q N -0.293 119.417 119.800 -0.150 0.000 2.124 448 Q HA -0.007 4.374 4.340 0.067 0.000 0.202 448 Q C 2.094 178.034 176.000 -0.101 0.000 0.977 448 Q CA 1.828 57.560 55.803 -0.118 0.000 0.850 448 Q CB -0.947 27.762 28.738 -0.048 0.000 0.901 448 Q HN 0.813 nan 8.270 nan 0.000 0.429 449 F N 0.717 120.534 119.950 -0.221 0.000 2.075 449 F HA -0.145 4.422 4.527 0.067 0.000 0.297 449 F C 2.059 177.704 175.800 -0.259 0.000 1.113 449 F CA 1.704 59.577 58.000 -0.212 0.000 1.218 449 F CB -0.064 38.812 39.000 -0.206 0.000 0.984 449 F HN 0.226 nan 8.300 nan 0.000 0.472 450 I N 0.729 121.126 120.570 -0.287 0.000 2.179 450 I HA -0.297 3.913 4.170 0.067 0.000 0.242 450 I C 2.325 178.298 176.117 -0.239 0.000 1.088 450 I CA 1.545 62.649 61.300 -0.326 0.000 1.357 450 I CB -1.509 36.287 38.000 -0.341 0.000 1.051 450 I HN 0.387 nan 8.210 nan 0.000 0.409 451 Q N 0.258 119.907 119.800 -0.251 0.000 2.170 451 Q HA -0.137 4.243 4.340 0.067 0.000 0.203 451 Q C 2.359 178.350 176.000 -0.015 0.000 0.976 451 Q CA 1.583 57.259 55.803 -0.212 0.000 0.858 451 Q CB -0.140 28.215 28.738 -0.639 0.000 0.907 451 Q HN 0.540 nan 8.270 nan 0.000 0.433 452 A N 1.179 123.909 122.820 -0.150 0.000 1.898 452 A HA -0.221 4.139 4.320 0.067 0.000 0.216 452 A C 1.947 179.432 177.584 -0.165 0.000 1.181 452 A CA 1.645 53.600 52.037 -0.136 0.000 0.620 452 A CB -0.351 18.521 19.000 -0.213 0.000 0.819 452 A HN 0.254 nan 8.150 nan 0.000 0.442 453 E N 0.091 120.089 120.200 -0.337 0.000 2.150 453 E HA -0.068 4.322 4.350 0.067 0.000 0.193 453 E C 1.681 178.241 176.600 -0.067 0.000 0.985 453 E CA 0.953 57.119 56.400 -0.390 0.000 0.814 453 E CB -0.328 28.859 29.700 -0.856 0.000 0.752 453 E HN 0.645 nan 8.360 nan 0.000 0.466 454 I N 0.455 121.104 120.570 0.133 0.000 2.202 454 I HA -0.227 3.983 4.170 0.067 0.000 0.242 454 I C 2.503 178.822 176.117 0.336 0.000 1.091 454 I CA 1.553 63.113 61.300 0.433 0.000 1.368 454 I CB -0.287 37.994 38.000 0.469 0.000 1.058 454 I HN 0.256 nan 8.210 nan 0.000 0.410 455 E N 1.275 121.614 120.200 0.232 0.000 2.110 455 E HA -0.289 4.101 4.350 0.067 0.000 0.193 455 E C 2.358 179.003 176.600 0.074 0.000 0.988 455 E CA 1.134 57.605 56.400 0.119 0.000 0.804 455 E CB -0.033 29.726 29.700 0.097 0.000 0.745 455 E HN 0.278 nan 8.360 nan 0.000 0.458 456 R N -0.600 119.927 120.500 0.046 0.000 2.081 456 R HA -0.149 4.231 4.340 0.067 0.000 0.235 456 R C 1.640 177.880 176.300 -0.099 0.000 1.131 456 R CA 1.845 57.902 56.100 -0.072 0.000 0.960 456 R CB -0.298 29.907 30.300 -0.159 0.000 0.856 456 R HN 0.283 nan 8.270 nan 0.000 0.436 457 W N -0.147 121.162 121.300 0.015 0.000 2.678 457 W HA 0.077 4.778 4.660 0.068 0.000 0.256 457 W C 2.257 178.805 176.519 0.048 0.000 1.280 457 W CA 0.953 58.307 57.345 0.015 0.000 1.345 457 W CB -0.177 29.402 29.460 0.198 0.000 1.118 457 W HN 0.133 nan 8.180 nan 0.000 0.629 458 I N 0.266 120.994 120.570 0.263 0.000 2.202 458 I HA -0.244 3.966 4.170 0.067 0.000 0.242 458 I C 2.397 178.553 176.117 0.065 0.000 1.091 458 I CA 1.892 63.290 61.300 0.164 0.000 1.368 458 I CB -1.039 37.019 38.000 0.097 0.000 1.058 458 I HN -0.083 nan 8.210 nan 0.000 0.410 459 R N 0.703 121.207 120.500 0.006 0.000 2.083 459 R HA -0.063 4.317 4.340 0.067 0.000 0.237 459 R C 2.188 178.442 176.300 -0.075 0.000 1.137 459 R CA 1.639 57.713 56.100 -0.043 0.000 0.951 459 R CB -1.271 28.985 30.300 -0.072 0.000 0.851 459 R HN 0.740 nan 8.270 nan 0.000 0.434 460 I N 1.406 121.892 120.570 -0.139 0.000 2.091 460 I HA -0.374 3.836 4.170 0.067 0.000 0.239 460 I C 2.569 178.633 176.117 -0.087 0.000 1.061 460 I CA 1.670 62.846 61.300 -0.207 0.000 1.317 460 I CB -0.437 37.290 38.000 -0.455 0.000 1.031 460 I HN 0.248 nan 8.210 nan 0.000 0.401 461 Q N 0.281 120.084 119.800 0.005 0.000 2.112 461 Q HA -0.273 4.107 4.340 0.067 0.000 0.206 461 Q C 2.101 178.127 176.000 0.043 0.000 0.987 461 Q CA 1.817 57.666 55.803 0.076 0.000 0.858 461 Q CB -0.156 28.694 28.738 0.187 0.000 0.905 461 Q HN 0.527 nan 8.270 nan 0.000 0.420 462 E N 0.119 120.334 120.200 0.024 0.000 2.204 462 E HA -0.167 4.223 4.350 0.067 0.000 0.194 462 E C 1.113 177.706 176.600 -0.011 0.000 0.989 462 E CA 0.936 57.340 56.400 0.008 0.000 0.824 462 E CB 0.138 29.838 29.700 -0.001 0.000 0.756 462 E HN 0.337 nan 8.360 nan 0.000 0.477 463 D N 0.009 120.392 120.400 -0.030 0.000 2.271 463 D HA 0.004 4.684 4.640 0.067 0.000 0.206 463 D C 1.760 178.041 176.300 -0.033 0.000 0.967 463 D CA 0.389 54.364 54.000 -0.041 0.000 0.867 463 D CB 0.150 40.910 40.800 -0.066 0.000 0.960 463 D HN 0.132 nan 8.370 nan 0.000 0.509 464 L N 0.086 121.294 121.223 -0.025 0.000 2.291 464 L HA -0.057 4.323 4.340 0.067 0.000 0.214 464 L C 0.422 177.295 176.870 0.004 0.000 1.120 464 L CA 0.453 55.288 54.840 -0.009 0.000 0.799 464 L CB -0.072 41.991 42.059 0.006 0.000 0.925 464 L HN -0.023 nan 8.230 nan 0.000 0.446 465 D N -0.414 119.990 120.400 0.007 0.000 3.017 465 D HA -0.174 4.506 4.640 0.067 0.000 0.220 465 D C -0.036 176.275 176.300 0.019 0.000 1.141 465 D CA 0.295 54.300 54.000 0.007 0.000 0.848 465 D CB -1.260 39.538 40.800 -0.003 0.000 1.102 465 D HN 0.085 nan 8.370 nan 0.000 0.427 466 L N 0.434 121.683 121.223 0.043 0.000 2.485 466 L HA 0.107 4.487 4.340 0.067 0.000 0.275 466 L C 1.783 178.681 176.870 0.048 0.000 1.207 466 L CA 0.089 54.967 54.840 0.062 0.000 0.855 466 L CB 0.352 42.478 42.059 0.112 0.000 1.114 466 L HN 0.053 nan 8.230 nan 0.000 0.485 467 D N 1.209 121.628 120.400 0.031 0.000 2.183 467 D HA 0.027 4.707 4.640 0.067 0.000 0.205 467 D C 0.087 176.411 176.300 0.041 0.000 0.962 467 D CA 1.132 55.132 54.000 -0.000 0.000 0.849 467 D CB 0.601 41.352 40.800 -0.082 0.000 0.978 467 D HN 0.176 nan 8.370 nan 0.000 0.488 468 V N 2.311 122.289 119.914 0.105 0.000 2.444 468 V HA 0.222 4.382 4.120 0.067 0.000 0.294 468 V C -0.376 175.803 176.094 0.142 0.000 1.022 468 V CA -0.726 61.669 62.300 0.158 0.000 0.850 468 V CB 2.036 34.056 31.823 0.329 0.000 0.992 468 V HN -0.099 nan 8.190 nan 0.000 0.426 469 L N 5.597 126.886 121.223 0.110 0.000 2.375 469 L HA 0.746 5.126 4.340 0.067 0.000 0.268 469 L C 0.129 177.042 176.870 0.072 0.000 1.058 469 L CA -0.104 54.809 54.840 0.121 0.000 0.803 469 L CB 1.856 43.990 42.059 0.126 0.000 1.212 469 L HN 0.608 nan 8.230 nan 0.000 0.451 470 V N -1.328 118.614 119.914 0.046 0.000 3.046 470 V HA 0.487 4.647 4.120 0.067 0.000 0.316 470 V C 0.852 176.921 176.094 -0.041 0.000 1.104 470 V CA -0.427 61.818 62.300 -0.092 0.000 1.006 470 V CB 1.672 33.278 31.823 -0.362 0.000 1.058 470 V HN 0.913 nan 8.190 nan 0.000 0.440 471 H N 0.364 119.354 119.070 -0.134 0.000 2.525 471 H HA 0.302 4.898 4.556 0.067 0.000 0.275 471 H C 1.242 176.456 175.328 -0.190 0.000 0.984 471 H CA 1.237 57.260 56.048 -0.042 0.000 1.264 471 H CB 0.770 30.529 29.762 -0.005 0.000 1.432 471 H HN 1.588 nan 8.280 nan 0.000 0.549 472 G N 1.077 109.232 108.800 -1.076 0.000 2.253 472 G HA2 -0.279 3.721 3.960 0.067 0.000 0.209 472 G HA3 -0.279 3.721 3.960 0.067 0.000 0.209 472 G C 0.216 174.186 174.900 -1.550 0.000 0.997 472 G CA -0.003 44.191 45.100 -1.509 0.000 0.640 472 G HN 0.419 nan 8.290 nan 0.000 0.496 473 E N -1.123 118.270 120.200 -1.345 0.000 2.586 473 E HA -0.278 4.112 4.350 0.067 0.000 0.259 473 E C 0.971 177.264 176.600 -0.512 0.000 1.107 473 E CA 0.714 56.650 56.400 -0.772 0.000 0.754 473 E CB -1.739 27.570 29.700 -0.652 0.000 1.335 473 E HN 0.592 nan 8.360 nan 0.000 0.411 474 F N 1.147 120.981 119.950 -0.192 0.000 2.269 474 F HA -0.160 4.407 4.527 0.067 0.000 0.301 474 F C 2.691 178.467 175.800 -0.040 0.000 1.082 474 F CA 1.570 59.511 58.000 -0.097 0.000 1.360 474 F CB -0.201 38.761 39.000 -0.064 0.000 1.041 474 F HN 0.191 nan 8.300 nan 0.000 0.512 475 E N 1.559 121.803 120.200 0.073 0.000 2.481 475 E HA -0.082 4.308 4.350 0.067 0.000 0.195 475 E C 0.078 176.666 176.600 -0.019 0.000 1.047 475 E CA 0.279 56.731 56.400 0.086 0.000 0.867 475 E CB -0.248 29.503 29.700 0.084 0.000 0.858 475 E HN 0.345 nan 8.360 nan 0.000 0.513 476 R N 0.072 120.431 120.500 -0.234 0.000 2.338 476 R HA 0.529 4.910 4.340 0.067 0.000 0.317 476 R C 0.916 177.193 176.300 -0.039 0.000 0.968 476 R CA 0.310 56.219 56.100 -0.319 0.000 0.849 476 R CB 1.745 31.649 30.300 -0.660 0.000 1.128 476 R HN 0.023 nan 8.270 nan 0.000 0.448 477 V N 0.779 120.747 119.914 0.090 0.000 3.644 477 V HA 0.083 4.243 4.120 0.067 0.000 0.267 477 V C 0.397 176.585 176.094 0.156 0.000 1.277 477 V CA 1.156 63.535 62.300 0.133 0.000 1.096 477 V CB 0.144 32.068 31.823 0.168 0.000 0.828 477 V HN 0.723 nan 8.190 nan 0.000 0.446 478 D N -0.481 120.028 120.400 0.182 0.000 2.937 478 D HA 0.239 4.920 4.640 0.067 0.000 0.215 478 D C 0.853 177.323 176.300 0.283 0.000 1.274 478 D CA -0.160 54.003 54.000 0.270 0.000 0.869 478 D CB 1.901 42.877 40.800 0.294 0.000 1.675 478 D HN 0.268 nan 8.370 nan 0.000 0.538 479 M N 1.717 121.481 119.600 0.274 0.000 2.549 479 M HA 0.004 4.524 4.480 0.067 0.000 0.260 479 M C 0.077 176.528 176.300 0.253 0.000 1.076 479 M CA 1.238 56.652 55.300 0.191 0.000 1.090 479 M CB 0.119 32.717 32.600 -0.002 0.000 1.418 479 M HN 0.121 nan 8.290 nan 0.000 0.486 480 V N 0.625 120.696 119.914 0.262 0.000 2.599 480 V HA -0.056 4.104 4.120 0.067 0.000 0.237 480 V C 2.274 178.539 176.094 0.285 0.000 1.081 480 V CA 1.568 64.016 62.300 0.246 0.000 1.107 480 V CB -0.304 31.695 31.823 0.294 0.000 0.808 480 V HN 0.503 nan 8.190 nan 0.000 0.486 481 E N -0.007 120.364 120.200 0.285 0.000 2.204 481 E HA -0.274 4.116 4.350 0.067 0.000 0.195 481 E C 1.975 178.662 176.600 0.145 0.000 0.990 481 E CA 1.429 57.946 56.400 0.195 0.000 0.821 481 E CB -0.177 29.631 29.700 0.179 0.000 0.750 481 E HN 0.513 nan 8.360 nan 0.000 0.477 482 F N -0.156 119.820 119.950 0.043 0.000 2.202 482 F HA -0.173 4.394 4.527 0.066 0.000 0.301 482 F C 1.256 176.904 175.800 -0.254 0.000 1.082 482 F CA 1.423 59.359 58.000 -0.106 0.000 1.313 482 F CB -0.132 38.761 39.000 -0.178 0.000 1.024 482 F HN 0.041 nan 8.300 nan 0.000 0.495 483 F N -0.325 119.537 119.950 -0.145 0.000 2.262 483 F HA 0.175 4.742 4.527 0.065 0.000 0.292 483 F C 2.688 178.197 175.800 -0.484 0.000 1.081 483 F CA 1.033 58.844 58.000 -0.314 0.000 1.355 483 F CB -1.283 37.593 39.000 -0.207 0.000 1.069 483 F HN -0.085 nan 8.300 nan 0.000 0.506 484 G N -0.503 108.049 108.800 -0.413 0.000 2.498 484 G HA2 -0.226 3.774 3.960 0.067 0.000 0.219 484 G HA3 -0.226 3.774 3.960 0.067 0.000 0.219 484 G C 1.631 176.372 174.900 -0.265 0.000 1.119 484 G CA 1.132 45.745 45.100 -0.812 0.000 0.766 484 G HN 0.419 nan 8.290 nan 0.000 0.552 485 Q N 0.315 119.998 119.800 -0.194 0.000 2.224 485 Q HA 0.056 4.436 4.340 0.067 0.000 0.203 485 Q C 2.193 178.105 176.000 -0.147 0.000 0.970 485 Q CA 1.691 57.417 55.803 -0.129 0.000 0.865 485 Q CB -0.468 28.177 28.738 -0.155 0.000 0.922 485 Q HN 0.573 nan 8.270 nan 0.000 0.445 486 K N -0.995 119.269 120.400 -0.226 0.000 2.413 486 K HA 0.394 4.755 4.320 0.067 0.000 0.204 486 K C -0.415 176.076 176.600 -0.182 0.000 1.041 486 K CA -0.250 55.914 56.287 -0.204 0.000 1.082 486 K CB 0.685 33.020 32.500 -0.275 0.000 0.871 486 K HN 0.311 nan 8.250 nan 0.000 0.535 487 L N 1.519 122.647 121.223 -0.159 0.000 2.295 487 L HA 0.402 4.782 4.340 0.067 0.000 0.285 487 L C 0.205 177.124 176.870 0.081 0.000 1.035 487 L CA -0.874 53.922 54.840 -0.073 0.000 0.806 487 L CB 1.462 43.428 42.059 -0.154 0.000 1.214 487 L HN 0.026 nan 8.230 nan 0.000 0.426 488 A N 2.045 124.907 122.820 0.070 0.000 2.483 488 A HA 0.454 4.815 4.320 0.067 0.000 0.238 488 A C 1.214 178.829 177.584 0.052 0.000 1.070 488 A CA 0.718 52.793 52.037 0.064 0.000 0.770 488 A CB 0.050 19.076 19.000 0.044 0.000 1.008 488 A HN 1.153 nan 8.150 nan 0.000 0.497 489 G N -0.289 108.400 108.800 -0.186 0.000 2.199 489 G HA2 -0.221 3.779 3.960 0.067 0.000 0.254 489 G HA3 -0.221 3.779 3.960 0.067 0.000 0.254 489 G C -0.022 174.466 174.900 -0.686 0.000 0.982 489 G CA 0.453 45.178 45.100 -0.625 0.000 0.632 489 G HN 0.685 nan 8.290 nan 0.000 0.529 490 F N 0.685 120.505 119.950 -0.217 0.000 2.425 490 F HA 0.779 5.349 4.527 0.072 0.000 0.331 490 F C 0.680 176.618 175.800 0.229 0.000 1.085 490 F CA 0.252 58.264 58.000 0.020 0.000 1.028 490 F CB 2.370 41.391 39.000 0.035 0.000 1.177 490 F HN 0.079 nan 8.300 nan 0.000 0.487 491 T N 0.444 115.251 114.554 0.423 0.000 2.843 491 T HA 0.593 4.983 4.350 0.067 0.000 0.302 491 T C -0.941 173.864 174.700 0.174 0.000 1.232 491 T CA -0.571 61.688 62.100 0.266 0.000 1.009 491 T CB 1.352 70.301 68.868 0.136 0.000 1.254 491 T HN 0.768 nan 8.240 nan 0.000 0.504 492 T N 0.077 114.679 114.554 0.079 0.000 2.912 492 T HA 0.760 5.150 4.350 0.067 0.000 0.288 492 T C 0.302 174.985 174.700 -0.029 0.000 1.030 492 T CA -0.497 61.617 62.100 0.024 0.000 1.020 492 T CB 1.311 70.175 68.868 -0.006 0.000 1.056 492 T HN 0.875 nan 8.240 nan 0.000 0.480 493 T N -0.422 114.094 114.554 -0.063 0.000 2.927 493 T HA 0.486 4.876 4.350 0.067 0.000 0.281 493 T C 0.873 175.460 174.700 -0.187 0.000 0.998 493 T CA -0.988 61.068 62.100 -0.073 0.000 1.019 493 T CB 1.526 70.394 68.868 0.000 0.000 1.061 493 T HN 0.678 nan 8.240 nan 0.000 0.518 494 K N -0.324 119.925 120.400 -0.252 0.000 2.166 494 K HA 0.191 4.552 4.320 0.067 0.000 0.201 494 K C 0.190 176.344 176.600 -0.744 0.000 1.052 494 K CA 0.907 56.827 56.287 -0.611 0.000 0.969 494 K CB 0.033 31.983 32.500 -0.916 0.000 0.761 494 K HN 0.594 nan 8.250 nan 0.000 0.459 495 F N -0.882 119.113 119.950 0.075 0.000 2.880 495 F HA 0.259 4.822 4.527 0.060 0.000 0.328 495 F C 0.946 176.813 175.800 0.113 0.000 1.146 495 F CA -0.808 57.304 58.000 0.186 0.000 1.135 495 F CB 0.780 39.906 39.000 0.211 0.000 1.151 495 F HN -0.149 nan 8.300 nan 0.000 0.523 496 G N 0.377 109.174 108.800 -0.004 0.000 3.284 496 G HA2 0.104 4.104 3.960 0.067 0.000 0.251 496 G HA3 0.104 4.104 3.960 0.067 0.000 0.251 496 G C -0.538 174.233 174.900 -0.215 0.000 0.913 496 G CA -0.226 44.792 45.100 -0.136 0.000 1.947 496 G HN 0.186 nan 8.290 nan 0.000 0.635 497 W N 0.151 121.458 121.300 0.011 0.000 2.261 497 W HA 0.509 5.207 4.660 0.064 0.000 0.323 497 W C -0.103 176.393 176.519 -0.039 0.000 1.243 497 W CA -0.593 56.753 57.345 0.002 0.000 1.210 497 W CB 1.433 30.912 29.460 0.032 0.000 1.149 497 W HN -0.029 nan 8.180 nan 0.000 0.562 498 V N 2.745 122.789 119.914 0.216 0.000 2.638 498 V HA 0.187 4.348 4.120 0.067 0.000 0.306 498 V C -0.103 176.068 176.094 0.129 0.000 1.052 498 V CA -1.453 60.912 62.300 0.108 0.000 0.885 498 V CB 1.392 33.271 31.823 0.094 0.000 0.999 498 V HN 0.508 nan 8.190 nan 0.000 0.424 499 Q N 1.898 121.739 119.800 0.068 0.000 2.311 499 Q HA 0.134 4.514 4.340 0.067 0.000 0.272 499 Q C 0.878 177.014 176.000 0.227 0.000 1.012 499 Q CA 0.545 56.414 55.803 0.111 0.000 0.891 499 Q CB 1.107 29.867 28.738 0.036 0.000 1.201 499 Q HN 1.019 nan 8.270 nan 0.000 0.391 500 S N 3.671 119.485 115.700 0.190 0.000 2.591 500 S HA 0.122 4.632 4.470 0.067 0.000 0.235 500 S C -0.357 174.447 174.600 0.339 0.000 1.074 500 S CA 0.009 58.385 58.200 0.293 0.000 0.925 500 S CB 0.160 63.513 63.200 0.255 0.000 0.818 500 S HN 0.709 nan 8.310 nan 0.000 0.535 501 Y N -1.476 118.852 120.300 0.047 0.000 2.521 501 Y HA 0.623 5.213 4.550 0.066 0.000 0.328 501 Y C 0.534 176.347 175.900 -0.145 0.000 1.151 501 Y CA -1.120 56.913 58.100 -0.111 0.000 1.054 501 Y CB 0.494 38.853 38.460 -0.167 0.000 1.338 501 Y HN 0.563 nan 8.280 nan 0.000 0.453 502 G N 2.064 110.658 108.800 -0.343 0.000 2.652 502 G HA2 -0.368 3.632 3.960 0.067 0.000 0.318 502 G HA3 -0.368 3.632 3.960 0.067 0.000 0.318 502 G C 1.027 175.758 174.900 -0.280 0.000 1.295 502 G CA 1.733 46.248 45.100 -0.975 0.000 0.999 502 G HN 2.013 nan 8.290 nan 0.000 0.548 503 S N -0.132 115.474 115.700 -0.156 0.000 2.593 503 S HA 0.346 4.856 4.470 0.067 0.000 0.217 503 S C 1.095 175.624 174.600 -0.118 0.000 0.966 503 S CA 1.043 59.184 58.200 -0.098 0.000 0.914 503 S CB 0.223 63.322 63.200 -0.168 0.000 0.776 503 S HN 0.787 nan 8.310 nan 0.000 0.523 504 R N 1.370 121.688 120.500 -0.304 0.000 2.438 504 R HA 0.809 5.190 4.340 0.067 0.000 0.287 504 R C 0.225 176.411 176.300 -0.191 0.000 1.077 504 R CA 0.228 56.110 56.100 -0.362 0.000 1.034 504 R CB 0.467 30.286 30.300 -0.801 0.000 0.993 504 R HN 0.656 nan 8.270 nan 0.000 0.459 505 A N 1.197 123.990 122.820 -0.045 0.000 2.556 505 A HA 0.797 5.157 4.320 0.067 0.000 0.294 505 A C -0.570 177.216 177.584 0.336 0.000 1.091 505 A CA -0.658 51.461 52.037 0.137 0.000 0.704 505 A CB 1.894 21.003 19.000 0.181 0.000 1.300 505 A HN 0.895 nan 8.150 nan 0.000 0.406 506 V N -1.414 118.690 119.914 0.316 0.000 2.815 506 V HA 0.786 4.946 4.120 0.067 0.000 0.314 506 V C -0.316 175.767 176.094 -0.018 0.000 1.064 506 V CA -0.850 61.560 62.300 0.184 0.000 0.952 506 V CB 1.695 33.489 31.823 -0.049 0.000 1.020 506 V HN 0.901 nan 8.190 nan 0.000 0.439 507 K N 3.257 123.375 120.400 -0.470 0.000 2.499 507 K HA 0.532 4.892 4.320 0.067 0.000 0.215 507 K C -2.710 173.674 176.600 -0.361 0.000 1.041 507 K CA -1.742 54.109 56.287 -0.726 0.000 1.031 507 K CB 0.838 32.406 32.500 -1.554 0.000 1.479 507 K HN 0.622 nan 8.250 nan 0.000 0.518 508 P HA 0.118 nan 4.420 nan 0.000 0.268 508 P C -2.572 174.711 177.300 -0.030 0.000 1.205 508 P CA -1.031 61.967 63.100 -0.169 0.000 0.771 508 P CB 0.285 31.712 31.700 -0.454 0.000 0.858 509 P HA 0.196 nan 4.420 nan 0.000 0.272 509 P C -0.400 177.016 177.300 0.193 0.000 1.240 509 P CA 0.182 63.379 63.100 0.161 0.000 0.791 509 P CB 0.481 32.357 31.700 0.294 0.000 0.978 510 I N 1.834 122.523 120.570 0.198 0.000 2.378 510 I HA 0.317 4.527 4.170 0.067 0.000 0.291 510 I C 0.197 176.388 176.117 0.124 0.000 0.992 510 I CA -0.634 60.781 61.300 0.193 0.000 1.154 510 I CB 1.047 39.124 38.000 0.128 0.000 1.315 510 I HN 0.100 nan 8.210 nan 0.000 0.448 511 I N 7.137 127.725 120.570 0.029 0.000 2.269 511 I HA 0.029 4.239 4.170 0.067 0.000 0.293 511 I C 0.513 176.698 176.117 0.114 0.000 1.106 511 I CA -0.168 60.972 61.300 -0.268 0.000 1.248 511 I CB -0.024 37.740 38.000 -0.393 0.000 1.444 511 I HN 0.674 nan 8.210 nan 0.000 0.497 512 Y N 4.141 124.470 120.300 0.049 0.000 2.507 512 Y HA 0.602 5.189 4.550 0.062 0.000 0.263 512 Y C 0.913 176.789 175.900 -0.039 0.000 1.093 512 Y CA -0.324 57.897 58.100 0.203 0.000 1.285 512 Y CB 0.025 38.556 38.460 0.119 0.000 1.115 512 Y HN 0.316 nan 8.280 nan 0.000 0.533 513 G N -0.154 108.239 108.800 -0.679 0.000 2.949 513 G HA2 0.304 4.304 3.960 0.067 0.000 0.285 513 G HA3 0.304 4.304 3.960 0.067 0.000 0.285 513 G C -1.680 173.073 174.900 -0.245 0.000 1.395 513 G CA -0.990 43.907 45.100 -0.338 0.000 0.901 513 G HN -0.004 nan 8.290 nan 0.000 0.519 514 D N 0.283 120.633 120.400 -0.083 0.000 2.493 514 D HA 0.186 4.867 4.640 0.067 0.000 0.240 514 D C 0.492 176.766 176.300 -0.043 0.000 1.142 514 D CA 0.351 54.325 54.000 -0.043 0.000 0.872 514 D CB 1.667 42.472 40.800 0.007 0.000 1.173 514 D HN 0.018 nan 8.370 nan 0.000 0.467 515 V N 3.285 123.200 119.914 0.002 0.000 2.530 515 V HA 0.176 4.336 4.120 0.067 0.000 0.282 515 V C 0.394 176.545 176.094 0.095 0.000 1.048 515 V CA 0.039 62.394 62.300 0.092 0.000 0.997 515 V CB 0.954 32.887 31.823 0.183 0.000 0.987 515 V HN 0.460 nan 8.190 nan 0.000 0.477 516 Q N 2.741 122.605 119.800 0.106 0.000 2.295 516 Q HA 0.255 4.635 4.340 0.067 0.000 0.268 516 Q C -1.186 174.875 176.000 0.102 0.000 1.010 516 Q CA -0.731 55.129 55.803 0.096 0.000 0.856 516 Q CB 1.669 30.449 28.738 0.070 0.000 1.349 516 Q HN 0.912 nan 8.270 nan 0.000 0.412 517 H N 5.624 124.711 119.070 0.027 0.000 2.819 517 H HA 0.179 4.775 4.556 0.067 0.000 0.303 517 H C -0.144 175.191 175.328 0.012 0.000 1.058 517 H CA 0.683 56.740 56.048 0.015 0.000 1.471 517 H CB 0.633 30.401 29.762 0.009 0.000 1.480 517 H HN 0.735 nan 8.280 nan 0.000 0.517 518 L N 3.941 125.033 121.223 -0.220 0.000 2.717 518 L HA 0.214 4.594 4.340 0.067 0.000 0.239 518 L C 0.356 177.160 176.870 -0.111 0.000 1.086 518 L CA 0.104 54.895 54.840 -0.081 0.000 0.897 518 L CB 0.401 42.421 42.059 -0.064 0.000 1.214 518 L HN 0.622 nan 8.230 nan 0.000 0.508 519 E N -0.972 119.024 120.200 -0.339 0.000 2.407 519 E HA 0.395 4.786 4.350 0.067 0.000 0.279 519 E C -2.911 173.562 176.600 -0.211 0.000 1.012 519 E CA -2.253 54.045 56.400 -0.170 0.000 0.800 519 E CB 1.318 30.944 29.700 -0.125 0.000 1.276 519 E HN -0.300 nan 8.360 nan 0.000 0.452 520 P HA 0.070 nan 4.420 nan 0.000 0.265 520 P C -0.126 177.148 177.300 -0.042 0.000 1.193 520 P CA 0.269 63.405 63.100 0.060 0.000 0.765 520 P CB 0.519 32.249 31.700 0.050 0.000 0.823 521 I N 1.437 121.996 120.570 -0.018 0.000 3.300 521 I HA -0.010 4.200 4.170 0.067 0.000 0.279 521 I C 1.607 177.657 176.117 -0.112 0.000 1.172 521 I CA 0.954 62.152 61.300 -0.169 0.000 1.431 521 I CB -0.163 37.711 38.000 -0.210 0.000 1.240 521 I HN 0.357 nan 8.210 nan 0.000 0.453 522 T N -2.688 111.886 114.554 0.033 0.000 3.043 522 T HA 0.212 4.602 4.350 0.067 0.000 0.272 522 T C 1.480 176.195 174.700 0.025 0.000 0.990 522 T CA 0.054 62.210 62.100 0.093 0.000 0.897 522 T CB 0.024 68.987 68.868 0.157 0.000 1.111 522 T HN -0.049 nan 8.240 nan 0.000 0.529 523 V N 1.954 121.886 119.914 0.031 0.000 2.287 523 V HA -0.170 3.990 4.120 0.067 0.000 0.248 523 V C 2.743 178.834 176.094 -0.004 0.000 1.053 523 V CA 2.465 64.775 62.300 0.016 0.000 1.027 523 V CB -0.687 31.155 31.823 0.032 0.000 0.646 523 V HN 0.651 nan 8.190 nan 0.000 0.447 524 E N 0.262 120.462 120.200 0.001 0.000 2.049 524 E HA -0.306 4.084 4.350 0.067 0.000 0.198 524 E C 2.129 178.725 176.600 -0.007 0.000 1.007 524 E CA 1.996 58.398 56.400 0.003 0.000 0.809 524 E CB -0.083 29.617 29.700 -0.001 0.000 0.749 524 E HN 0.683 nan 8.360 nan 0.000 0.450 525 E N -0.155 120.002 120.200 -0.071 0.000 2.051 525 E HA -0.154 4.236 4.350 0.067 0.000 0.192 525 E C 2.144 178.618 176.600 -0.211 0.000 0.991 525 E CA 2.000 58.310 56.400 -0.150 0.000 0.799 525 E CB -0.401 29.101 29.700 -0.330 0.000 0.748 525 E HN 0.288 nan 8.360 nan 0.000 0.449 526 T N 0.303 114.687 114.554 -0.284 0.000 2.708 526 T HA -0.131 4.259 4.350 0.067 0.000 0.266 526 T C 2.064 176.738 174.700 -0.044 0.000 1.037 526 T CA 1.323 63.311 62.100 -0.185 0.000 1.146 526 T CB -0.461 68.341 68.868 -0.110 0.000 0.865 526 T HN -0.037 nan 8.240 nan 0.000 0.435 527 V N 0.716 120.625 119.914 -0.009 0.000 2.332 527 V HA -0.201 3.959 4.120 0.067 0.000 0.248 527 V C 2.101 178.224 176.094 0.049 0.000 1.055 527 V CA 1.745 64.058 62.300 0.022 0.000 1.038 527 V CB -0.785 31.059 31.823 0.034 0.000 0.651 527 V HN 0.521 nan 8.190 nan 0.000 0.450 528 Y N 1.410 121.689 120.300 -0.035 0.000 2.224 528 Y HA -0.175 4.415 4.550 0.067 0.000 0.289 528 Y C 2.332 178.235 175.900 0.006 0.000 1.146 528 Y CA 1.323 59.414 58.100 -0.016 0.000 1.182 528 Y CB -0.521 37.926 38.460 -0.022 0.000 0.983 528 Y HN 0.147 nan 8.280 nan 0.000 0.524 529 A N -0.107 122.678 122.820 -0.058 0.000 1.902 529 A HA -0.231 4.129 4.320 0.067 0.000 0.217 529 A C 2.123 179.644 177.584 -0.104 0.000 1.181 529 A CA 1.785 53.772 52.037 -0.083 0.000 0.623 529 A CB -0.784 18.267 19.000 0.085 0.000 0.818 529 A HN 0.524 nan 8.150 nan 0.000 0.443 530 Q N 0.741 120.504 119.800 -0.062 0.000 2.224 530 Q HA -0.098 4.282 4.340 0.067 0.000 0.203 530 Q C 2.031 177.988 176.000 -0.072 0.000 0.970 530 Q CA 1.895 57.672 55.803 -0.044 0.000 0.865 530 Q CB -0.511 28.217 28.738 -0.018 0.000 0.922 530 Q HN 0.733 nan 8.270 nan 0.000 0.445 531 S N -1.492 114.136 115.700 -0.119 0.000 2.561 531 S HA 0.027 4.537 4.470 0.067 0.000 0.225 531 S C 1.497 176.007 174.600 -0.151 0.000 0.977 531 S CA 0.356 58.487 58.200 -0.115 0.000 0.926 531 S CB -0.095 63.047 63.200 -0.096 0.000 0.769 531 S HN 0.435 nan 8.310 nan 0.000 0.533 532 L N 0.305 121.407 121.223 -0.200 0.000 2.463 532 L HA 0.301 4.681 4.340 0.067 0.000 0.219 532 L C 1.221 178.039 176.870 -0.086 0.000 1.088 532 L CA 0.363 55.099 54.840 -0.172 0.000 0.849 532 L CB 0.196 42.109 42.059 -0.243 0.000 1.012 532 L HN 0.300 nan 8.230 nan 0.000 0.468 533 T N -1.952 112.565 114.554 -0.062 0.000 2.916 533 T HA 0.205 4.595 4.350 0.067 0.000 0.292 533 T C 0.085 174.774 174.700 -0.018 0.000 1.055 533 T CA -0.577 61.507 62.100 -0.027 0.000 1.009 533 T CB 1.833 70.698 68.868 -0.004 0.000 1.118 533 T HN -0.087 nan 8.240 nan 0.000 0.497 534 D N 1.259 121.653 120.400 -0.010 0.000 2.289 534 D HA 0.134 4.814 4.640 0.067 0.000 0.207 534 D C 1.326 177.628 176.300 0.003 0.000 0.966 534 D CA 0.452 54.449 54.000 -0.005 0.000 0.868 534 D CB 0.156 40.953 40.800 -0.006 0.000 0.943 534 D HN 0.670 nan 8.370 nan 0.000 0.514 535 R N 1.794 122.300 120.500 0.010 0.000 2.539 535 R HA 0.377 4.757 4.340 0.067 0.000 0.275 535 R C -2.575 173.742 176.300 0.029 0.000 1.077 535 R CA -1.372 54.740 56.100 0.021 0.000 1.097 535 R CB -1.278 29.039 30.300 0.029 0.000 1.018 535 R HN -0.055 nan 8.270 nan 0.000 0.483 536 P HA 0.148 nan 4.420 nan 0.000 0.264 536 P C -0.891 176.438 177.300 0.049 0.000 1.193 536 P CA -0.263 62.865 63.100 0.047 0.000 0.763 536 P CB 0.913 32.657 31.700 0.073 0.000 0.810 537 V N 4.996 124.930 119.914 0.033 0.000 2.398 537 V HA 0.240 4.400 4.120 0.067 0.000 0.286 537 V C 0.564 176.664 176.094 0.009 0.000 1.026 537 V CA -0.611 61.709 62.300 0.032 0.000 0.868 537 V CB 1.321 33.164 31.823 0.034 0.000 0.982 537 V HN 0.423 nan 8.190 nan 0.000 0.443 538 K N 2.707 123.102 120.400 -0.009 0.000 2.218 538 K HA 0.506 4.866 4.320 0.067 0.000 0.276 538 K C 0.493 177.084 176.600 -0.015 0.000 1.022 538 K CA -0.168 56.083 56.287 -0.061 0.000 0.946 538 K CB 1.395 33.819 32.500 -0.127 0.000 1.000 538 K HN 0.883 nan 8.250 nan 0.000 0.468 539 G N 1.852 110.638 108.800 -0.023 0.000 2.377 539 G HA2 0.472 4.472 3.960 0.067 0.000 0.299 539 G HA3 0.472 4.472 3.960 0.067 0.000 0.299 539 G C -0.827 174.088 174.900 0.025 0.000 1.150 539 G CA -0.599 44.515 45.100 0.023 0.000 0.847 539 G HN 0.327 nan 8.290 nan 0.000 0.501 540 M N 1.391 121.041 119.600 0.085 0.000 2.190 540 M HA 0.518 5.038 4.480 0.067 0.000 0.312 540 M C -0.390 176.034 176.300 0.207 0.000 0.990 540 M CA -0.073 55.274 55.300 0.079 0.000 0.927 540 M CB 1.908 34.516 32.600 0.013 0.000 1.571 540 M HN 0.278 nan 8.290 nan 0.000 0.427 541 L N 0.764 122.060 121.223 0.121 0.000 2.283 541 L HA 0.802 5.182 4.340 0.067 0.000 0.259 541 L C -0.224 176.514 176.870 -0.220 0.000 1.027 541 L CA -0.924 53.941 54.840 0.042 0.000 0.828 541 L CB 2.570 44.594 42.059 -0.057 0.000 1.380 541 L HN 0.477 nan 8.230 nan 0.000 0.425 542 T N 0.001 114.143 114.554 -0.687 0.000 2.859 542 T HA 0.537 4.928 4.350 0.067 0.000 0.281 542 T C 0.163 174.600 174.700 -0.438 0.000 1.005 542 T CA -0.483 61.316 62.100 -0.501 0.000 1.025 542 T CB 1.782 70.333 68.868 -0.530 0.000 0.977 542 T HN 0.731 nan 8.240 nan 0.000 0.458 543 G N 1.887 110.520 108.800 -0.279 0.000 2.547 543 G HA2 0.431 4.431 3.960 0.067 0.000 0.291 543 G HA3 0.431 4.431 3.960 0.067 0.000 0.291 543 G C -1.771 172.968 174.900 -0.269 0.000 1.211 543 G CA -1.579 43.390 45.100 -0.219 0.000 0.950 543 G HN 0.387 nan 8.290 nan 0.000 0.504 544 P HA -0.064 nan 4.420 nan 0.000 0.217 544 P C 1.941 178.901 177.300 -0.567 0.000 1.150 544 P CA 0.702 63.517 63.100 -0.475 0.000 0.832 544 P CB 0.189 31.481 31.700 -0.679 0.000 0.787 545 I N -1.002 119.298 120.570 -0.449 0.000 2.127 545 I HA -0.259 3.951 4.170 0.067 0.000 0.241 545 I C 2.061 178.118 176.117 -0.100 0.000 1.075 545 I CA 1.884 63.056 61.300 -0.213 0.000 1.334 545 I CB -1.155 36.804 38.000 -0.068 0.000 1.040 545 I HN 0.002 nan 8.210 nan 0.000 0.405 546 T N 1.048 115.484 114.554 -0.197 0.000 2.777 546 T HA -0.070 4.320 4.350 0.067 0.000 0.266 546 T C 1.964 176.512 174.700 -0.254 0.000 1.040 546 T CA 1.192 63.090 62.100 -0.336 0.000 1.141 546 T CB -0.248 68.282 68.868 -0.563 0.000 0.868 546 T HN 0.210 nan 8.240 nan 0.000 0.444 547 I N 1.939 122.401 120.570 -0.180 0.000 2.163 547 I HA -0.226 3.984 4.170 0.067 0.000 0.243 547 I C 2.990 179.189 176.117 0.136 0.000 1.085 547 I CA 1.802 63.100 61.300 -0.003 0.000 1.347 547 I CB -0.756 37.245 38.000 0.002 0.000 1.044 547 I HN 0.441 nan 8.210 nan 0.000 0.408 548 T N -2.014 112.589 114.554 0.082 0.000 2.857 548 T HA -0.166 4.224 4.350 0.067 0.000 0.266 548 T C 1.735 176.576 174.700 0.236 0.000 1.048 548 T CA 1.295 63.505 62.100 0.182 0.000 1.139 548 T CB -0.592 68.421 68.868 0.243 0.000 0.874 548 T HN 0.356 nan 8.240 nan 0.000 0.455 549 N N -0.396 118.449 118.700 0.241 0.000 2.142 549 N HA -0.098 4.683 4.740 0.067 0.000 0.186 549 N C 1.434 177.148 175.510 0.341 0.000 1.023 549 N CA 1.096 54.322 53.050 0.293 0.000 0.852 549 N CB -0.161 38.516 38.487 0.317 0.000 0.998 549 N HN 0.463 nan 8.380 nan 0.000 0.424 550 W N 1.477 122.801 121.300 0.039 0.000 2.518 550 W HA 0.206 4.907 4.660 0.067 0.000 0.273 550 W C 1.056 177.535 176.519 -0.068 0.000 1.247 550 W CA -0.089 57.256 57.345 0.000 0.000 1.288 550 W CB -0.591 28.896 29.460 0.045 0.000 1.107 550 W HN -0.146 nan 8.180 nan 0.000 0.586 551 S N -0.154 115.670 115.700 0.207 0.000 2.687 551 S HA 0.363 4.873 4.470 0.067 0.000 0.283 551 S C -0.889 173.706 174.600 -0.009 0.000 1.170 551 S CA -0.715 57.547 58.200 0.104 0.000 1.008 551 S CB 0.929 64.265 63.200 0.227 0.000 1.026 551 S HN -0.239 nan 8.310 nan 0.000 0.541 552 F N 2.598 122.615 119.950 0.112 0.000 2.404 552 F HA 0.233 4.844 4.527 0.140 0.000 0.359 552 F C 1.017 176.942 175.800 0.208 0.000 1.134 552 F CA -0.764 57.298 58.000 0.103 0.000 1.160 552 F CB -0.022 38.946 39.000 -0.054 0.000 1.186 552 F HN 0.555 nan 8.300 nan 0.000 0.526 553 E N 2.862 123.336 120.200 0.456 0.000 2.318 553 E HA 0.491 4.881 4.350 0.067 0.000 0.265 553 E C 0.076 177.028 176.600 0.586 0.000 1.069 553 E CA -1.142 55.498 56.400 0.400 0.000 0.893 553 E CB 0.845 30.719 29.700 0.289 0.000 1.076 553 E HN 0.622 nan 8.360 nan 0.000 0.414 554 R N -0.032 120.664 120.500 0.326 0.000 2.756 554 R HA 0.181 4.561 4.340 0.067 0.000 0.264 554 R C 1.119 177.381 176.300 -0.062 0.000 1.026 554 R CA 0.916 56.954 56.100 -0.104 0.000 1.121 554 R CB 0.088 30.236 30.300 -0.255 0.000 0.999 554 R HN 0.916 nan 8.270 nan 0.000 0.449 555 T N -3.461 110.918 114.554 -0.293 0.000 3.084 555 T HA 0.007 4.397 4.350 0.067 0.000 0.270 555 T C 0.620 175.250 174.700 -0.116 0.000 1.008 555 T CA -0.195 61.855 62.100 -0.082 0.000 0.900 555 T CB 0.099 68.993 68.868 0.043 0.000 1.084 555 T HN 0.705 nan 8.240 nan 0.000 0.538 556 D N 1.948 122.221 120.400 -0.212 0.000 2.350 556 D HA 0.109 4.789 4.640 0.067 0.000 0.213 556 D C 0.833 177.077 176.300 -0.093 0.000 1.031 556 D CA -0.259 53.654 54.000 -0.145 0.000 0.861 556 D CB 0.141 40.809 40.800 -0.221 0.000 0.926 556 D HN 0.714 nan 8.370 nan 0.000 0.520 557 I N -2.910 117.611 120.570 -0.082 0.000 2.828 557 I HA 0.595 4.805 4.170 0.067 0.000 0.302 557 I C -2.973 173.128 176.117 -0.027 0.000 1.101 557 I CA -2.648 58.625 61.300 -0.046 0.000 1.031 557 I CB 2.064 40.039 38.000 -0.042 0.000 1.231 557 I HN -0.421 nan 8.210 nan 0.000 0.427 558 P HA 0.225 nan 4.420 nan 0.000 0.272 558 P C 0.346 177.616 177.300 -0.050 0.000 1.230 558 P CA -0.461 62.618 63.100 -0.035 0.000 0.788 558 P CB 0.759 32.433 31.700 -0.043 0.000 0.949 559 R N 2.027 122.469 120.500 -0.097 0.000 2.096 559 R HA -0.217 4.164 4.340 0.067 0.000 0.240 559 R C 1.553 177.657 176.300 -0.326 0.000 1.139 559 R CA 2.418 58.383 56.100 -0.224 0.000 0.952 559 R CB -0.656 29.433 30.300 -0.351 0.000 0.854 559 R HN 0.634 nan 8.270 nan 0.000 0.436 560 D N -0.304 119.931 120.400 -0.276 0.000 2.117 560 D HA -0.272 4.408 4.640 0.067 0.000 0.197 560 D C 1.801 178.094 176.300 -0.012 0.000 0.987 560 D CA 1.335 55.223 54.000 -0.186 0.000 0.829 560 D CB -0.602 40.103 40.800 -0.158 0.000 0.961 560 D HN 0.486 nan 8.370 nan 0.000 0.460 561 Q N -0.123 119.670 119.800 -0.012 0.000 2.050 561 Q HA -0.162 4.218 4.340 0.067 0.000 0.202 561 Q C 2.430 178.479 176.000 0.081 0.000 0.980 561 Q CA 1.027 56.847 55.803 0.029 0.000 0.840 561 Q CB -0.153 28.589 28.738 0.005 0.000 0.898 561 Q HN 0.269 nan 8.270 nan 0.000 0.424 562 L N 0.089 121.374 121.223 0.103 0.000 2.017 562 L HA -0.146 4.234 4.340 0.067 0.000 0.208 562 L C 1.962 178.992 176.870 0.268 0.000 1.073 562 L CA 1.744 56.681 54.840 0.163 0.000 0.745 562 L CB -0.862 41.309 42.059 0.186 0.000 0.894 562 L HN 0.233 nan 8.230 nan 0.000 0.432 563 F N 0.627 120.585 119.950 0.014 0.000 2.091 563 F HA -0.247 4.317 4.527 0.063 0.000 0.299 563 F C 2.455 178.270 175.800 0.026 0.000 1.103 563 F CA 1.596 59.602 58.000 0.010 0.000 1.228 563 F CB -1.210 37.776 39.000 -0.023 0.000 0.984 563 F HN 0.291 nan 8.300 nan 0.000 0.477 564 N N 0.023 118.867 118.700 0.239 0.000 2.142 564 N HA -0.152 4.628 4.740 0.067 0.000 0.186 564 N C 1.871 177.443 175.510 0.102 0.000 1.023 564 N CA 1.014 54.162 53.050 0.162 0.000 0.852 564 N CB -0.672 37.909 38.487 0.158 0.000 0.998 564 N HN 0.413 nan 8.380 nan 0.000 0.424 565 Q N 0.507 120.365 119.800 0.098 0.000 2.062 565 Q HA -0.128 4.252 4.340 0.067 0.000 0.209 565 Q C 2.138 178.182 176.000 0.072 0.000 0.996 565 Q CA 1.288 57.137 55.803 0.076 0.000 0.859 565 Q CB -0.263 28.519 28.738 0.073 0.000 0.920 565 Q HN 0.418 nan 8.270 nan 0.000 0.415 566 I N 0.077 120.692 120.570 0.075 0.000 2.226 566 I HA -0.214 3.996 4.170 0.067 0.000 0.245 566 I C 2.373 178.486 176.117 -0.007 0.000 1.100 566 I CA 1.081 62.410 61.300 0.048 0.000 1.374 566 I CB -0.750 37.258 38.000 0.014 0.000 1.057 566 I HN 0.311 nan 8.210 nan 0.000 0.413 567 G N 1.301 110.093 108.800 -0.013 0.000 2.476 567 G HA2 -0.235 3.766 3.960 0.067 0.000 0.218 567 G HA3 -0.235 3.766 3.960 0.067 0.000 0.218 567 G C 1.722 176.596 174.900 -0.044 0.000 1.164 567 G CA 0.637 45.709 45.100 -0.045 0.000 0.768 567 G HN 0.272 nan 8.290 nan 0.000 0.560 568 L N 0.644 121.863 121.223 -0.008 0.000 2.042 568 L HA -0.133 4.247 4.340 0.067 0.000 0.210 568 L C 3.441 180.301 176.870 -0.016 0.000 1.076 568 L CA 1.145 55.979 54.840 -0.010 0.000 0.749 568 L CB -0.404 41.666 42.059 0.018 0.000 0.893 568 L HN 0.331 nan 8.230 nan 0.000 0.432 569 A N 0.191 123.024 122.820 0.021 0.000 1.902 569 A HA -0.184 4.176 4.320 0.067 0.000 0.217 569 A C 2.181 179.772 177.584 0.011 0.000 1.181 569 A CA 1.596 53.673 52.037 0.067 0.000 0.623 569 A CB -0.650 18.416 19.000 0.109 0.000 0.818 569 A HN 0.383 nan 8.150 nan 0.000 0.443 570 I N -0.525 120.020 120.570 -0.042 0.000 2.315 570 I HA -0.242 3.969 4.170 0.067 0.000 0.248 570 I C 2.505 178.554 176.117 -0.115 0.000 1.117 570 I CA 1.701 62.949 61.300 -0.086 0.000 1.404 570 I CB -0.280 37.634 38.000 -0.144 0.000 1.071 570 I HN 0.407 nan 8.210 nan 0.000 0.419 571 K N 1.203 121.529 120.400 -0.123 0.000 2.032 571 K HA -0.250 4.110 4.320 0.067 0.000 0.209 571 K C 1.646 178.149 176.600 -0.161 0.000 1.048 571 K CA 2.121 58.328 56.287 -0.132 0.000 0.927 571 K CB -0.083 32.352 32.500 -0.109 0.000 0.712 571 K HN 0.213 nan 8.250 nan 0.000 0.441 572 D N 0.533 120.803 120.400 -0.216 0.000 2.117 572 D HA -0.178 4.502 4.640 0.067 0.000 0.197 572 D C 1.892 177.882 176.300 -0.516 0.000 0.987 572 D CA 1.274 55.045 54.000 -0.382 0.000 0.829 572 D CB -0.200 40.297 40.800 -0.506 0.000 0.961 572 D HN 0.360 nan 8.370 nan 0.000 0.460 573 E N 0.790 120.715 120.200 -0.459 0.000 2.077 573 E HA -0.108 4.282 4.350 0.067 0.000 0.193 573 E C 2.166 178.719 176.600 -0.078 0.000 0.989 573 E CA 0.701 57.006 56.400 -0.160 0.000 0.800 573 E CB -0.377 29.388 29.700 0.107 0.000 0.746 573 E HN 0.270 nan 8.360 nan 0.000 0.452 574 I N 0.198 120.715 120.570 -0.090 0.000 2.264 574 I HA -0.300 3.910 4.170 0.067 0.000 0.248 574 I C 2.682 178.758 176.117 -0.067 0.000 1.111 574 I CA 1.675 62.934 61.300 -0.068 0.000 1.382 574 I CB -0.557 37.389 38.000 -0.091 0.000 1.060 574 I HN 0.234 nan 8.210 nan 0.000 0.418 575 K N 0.564 120.908 120.400 -0.094 0.000 2.057 575 K HA -0.169 4.191 4.320 0.067 0.000 0.207 575 K C 1.855 178.424 176.600 -0.052 0.000 1.049 575 K CA 1.322 57.565 56.287 -0.075 0.000 0.931 575 K CB -1.040 31.406 32.500 -0.090 0.000 0.714 575 K HN 0.104 nan 8.250 nan 0.000 0.440 576 L N 0.739 121.928 121.223 -0.056 0.000 2.017 576 L HA 0.008 4.388 4.340 0.067 0.000 0.208 576 L C 2.597 179.465 176.870 -0.003 0.000 1.073 576 L CA 1.334 56.163 54.840 -0.017 0.000 0.745 576 L CB -0.725 41.340 42.059 0.009 0.000 0.894 576 L HN 0.345 nan 8.230 nan 0.000 0.432 577 L N -0.920 120.301 121.223 -0.003 0.000 2.042 577 L HA -0.248 4.133 4.340 0.067 0.000 0.210 577 L C 2.573 179.441 176.870 -0.005 0.000 1.076 577 L CA 1.528 56.370 54.840 0.003 0.000 0.749 577 L CB -0.457 41.605 42.059 0.006 0.000 0.893 577 L HN 0.400 nan 8.230 nan 0.000 0.432 578 E N 0.211 120.403 120.200 -0.013 0.000 2.047 578 E HA -0.213 4.177 4.350 0.067 0.000 0.191 578 E C 1.898 178.493 176.600 -0.008 0.000 0.987 578 E CA 1.110 57.502 56.400 -0.013 0.000 0.799 578 E CB 0.118 29.806 29.700 -0.020 0.000 0.752 578 E HN 0.426 nan 8.360 nan 0.000 0.449 579 N N 0.581 119.275 118.700 -0.010 0.000 2.205 579 N HA -0.156 4.624 4.740 0.067 0.000 0.186 579 N C 1.293 176.804 175.510 0.000 0.000 1.015 579 N CA 1.332 54.379 53.050 -0.005 0.000 0.862 579 N CB -0.310 38.173 38.487 -0.006 0.000 0.986 579 N HN 0.210 nan 8.380 nan 0.000 0.429 580 A N -0.734 122.087 122.820 0.002 0.000 2.251 580 A HA 0.464 4.824 4.320 0.067 0.000 0.209 580 A C 1.449 179.036 177.584 0.005 0.000 1.187 580 A CA 0.755 52.796 52.037 0.006 0.000 0.823 580 A CB -0.231 18.775 19.000 0.010 0.000 0.846 580 A HN 0.328 nan 8.150 nan 0.000 0.486 581 G N -0.899 107.903 108.800 0.003 0.000 2.179 581 G HA2 -0.159 3.841 3.960 0.067 0.000 0.220 581 G HA3 -0.159 3.841 3.960 0.067 0.000 0.220 581 G C -0.043 174.859 174.900 0.003 0.000 0.990 581 G CA -0.044 45.058 45.100 0.003 0.000 0.646 581 G HN 0.300 nan 8.290 nan 0.000 0.517 582 I N 1.570 122.140 120.570 0.001 0.000 2.505 582 I HA 0.460 4.670 4.170 0.067 0.000 0.287 582 I C 1.449 177.566 176.117 -0.001 0.000 1.104 582 I CA 0.652 61.952 61.300 -0.001 0.000 1.387 582 I CB 0.614 38.612 38.000 -0.003 0.000 1.404 582 I HN 0.268 nan 8.210 nan 0.000 0.528 583 A N 7.704 130.526 122.820 0.003 0.000 2.252 583 A HA 0.391 4.751 4.320 0.067 0.000 0.213 583 A C 0.762 178.352 177.584 0.010 0.000 1.188 583 A CA 0.285 52.330 52.037 0.012 0.000 0.863 583 A CB 0.234 19.249 19.000 0.026 0.000 0.893 583 A HN 0.618 nan 8.150 nan 0.000 0.495 584 I N 1.102 121.657 120.570 -0.024 0.000 2.439 584 I HA 0.429 4.639 4.170 0.067 0.000 0.285 584 I C -1.266 174.773 176.117 -0.130 0.000 1.021 584 I CA -0.339 60.902 61.300 -0.098 0.000 1.091 584 I CB 1.758 39.651 38.000 -0.179 0.000 1.242 584 I HN 0.008 nan 8.210 nan 0.000 0.439 585 I N 5.711 126.220 120.570 -0.102 0.000 2.465 585 I HA 0.359 4.569 4.170 0.067 0.000 0.291 585 I C -0.484 175.604 176.117 -0.048 0.000 1.014 585 I CA -0.541 60.719 61.300 -0.066 0.000 1.093 585 I CB 2.191 40.172 38.000 -0.032 0.000 1.267 585 I HN 0.586 nan 8.210 nan 0.000 0.431 586 Q N 5.526 125.302 119.800 -0.040 0.000 2.333 586 Q HA 0.538 4.918 4.340 0.067 0.000 0.267 586 Q C -1.777 174.243 176.000 0.033 0.000 1.012 586 Q CA -0.652 55.160 55.803 0.014 0.000 0.824 586 Q CB 2.423 31.145 28.738 -0.027 0.000 1.290 586 Q HN 0.510 nan 8.270 nan 0.000 0.449 587 V N 4.644 124.608 119.914 0.084 0.000 2.333 587 V HA 0.215 4.376 4.120 0.067 0.000 0.274 587 V C -0.616 175.522 176.094 0.073 0.000 1.028 587 V CA -0.636 61.706 62.300 0.070 0.000 0.851 587 V CB 1.357 33.278 31.823 0.163 0.000 1.000 587 V HN 0.791 nan 8.190 nan 0.000 0.456 588 D N 4.412 124.813 120.400 0.002 0.000 2.264 588 D HA 0.409 5.089 4.640 0.067 0.000 0.250 588 D C -0.033 176.231 176.300 -0.059 0.000 1.113 588 D CA -0.125 53.879 54.000 0.007 0.000 0.871 588 D CB 1.506 42.298 40.800 -0.013 0.000 1.167 588 D HN 0.444 nan 8.370 nan 0.000 0.447 589 E N 0.589 120.765 120.200 -0.041 0.000 2.241 589 E HA 0.495 4.885 4.350 0.067 0.000 0.263 589 E C -0.422 176.141 176.600 -0.061 0.000 0.882 589 E CA -0.720 55.624 56.400 -0.093 0.000 0.769 589 E CB 2.168 31.810 29.700 -0.096 0.000 1.185 589 E HN 0.415 nan 8.360 nan 0.000 0.415 590 A N 1.383 124.158 122.820 -0.076 0.000 2.456 590 A HA 0.408 4.768 4.320 0.067 0.000 0.237 590 A C 1.060 178.715 177.584 0.118 0.000 1.217 590 A CA 0.627 52.684 52.037 0.034 0.000 0.962 590 A CB 0.581 19.612 19.000 0.052 0.000 1.079 590 A HN 0.415 nan 8.150 nan 0.000 0.536 591 A N -0.384 122.480 122.820 0.074 0.000 2.574 591 A HA 0.492 4.853 4.320 0.067 0.000 0.283 591 A C 1.316 178.989 177.584 0.148 0.000 1.270 591 A CA -0.141 52.009 52.037 0.188 0.000 0.945 591 A CB -0.390 18.759 19.000 0.248 0.000 1.127 591 A HN 0.371 nan 8.150 nan 0.000 0.522 592 L N -0.412 120.861 121.223 0.083 0.000 2.046 592 L HA -0.170 4.210 4.340 0.067 0.000 0.208 592 L C 2.875 179.819 176.870 0.122 0.000 1.077 592 L CA 2.003 56.852 54.840 0.015 0.000 0.747 592 L CB -0.273 41.592 42.059 -0.323 0.000 0.896 592 L HN 0.556 nan 8.230 nan 0.000 0.432 593 R N 0.337 121.022 120.500 0.308 0.000 2.091 593 R HA -0.184 4.197 4.340 0.067 0.000 0.238 593 R C 2.230 178.599 176.300 0.115 0.000 1.136 593 R CA 1.875 58.152 56.100 0.294 0.000 0.959 593 R CB -1.084 29.319 30.300 0.172 0.000 0.856 593 R HN 0.742 nan 8.270 nan 0.000 0.437 594 E N -0.984 119.285 120.200 0.115 0.000 2.299 594 E HA 0.165 4.555 4.350 0.067 0.000 0.193 594 E C 2.159 178.779 176.600 0.034 0.000 0.998 594 E CA 0.827 57.270 56.400 0.073 0.000 0.851 594 E CB -0.950 28.824 29.700 0.123 0.000 0.795 594 E HN 0.740 nan 8.360 nan 0.000 0.492 595 G N -0.225 108.601 108.800 0.045 0.000 2.551 595 G HA2 0.237 4.237 3.960 0.067 0.000 0.216 595 G HA3 0.237 4.237 3.960 0.067 0.000 0.216 595 G C 0.774 175.371 174.900 -0.505 0.000 1.137 595 G CA 0.206 45.295 45.100 -0.018 0.000 0.798 595 G HN 0.419 nan 8.290 nan 0.000 0.536 596 L N 2.334 123.329 121.223 -0.380 0.000 2.477 596 L HA 0.334 4.714 4.340 0.067 0.000 0.272 596 L C -1.905 174.760 176.870 -0.341 0.000 1.157 596 L CA -1.856 52.702 54.840 -0.470 0.000 0.889 596 L CB 0.587 42.559 42.059 -0.145 0.000 1.158 596 L HN -0.097 nan 8.230 nan 0.000 0.473 597 P HA -0.027 nan 4.420 nan 0.000 0.267 597 P C 0.899 178.148 177.300 -0.084 0.000 1.201 597 P CA 0.040 63.042 63.100 -0.164 0.000 0.775 597 P CB 0.529 32.172 31.700 -0.096 0.000 0.854 598 L N 0.499 121.699 121.223 -0.039 0.000 2.017 598 L HA -0.111 4.269 4.340 0.067 0.000 0.208 598 L C 1.305 178.173 176.870 -0.003 0.000 1.073 598 L CA 1.305 56.139 54.840 -0.010 0.000 0.745 598 L CB -0.355 41.719 42.059 0.025 0.000 0.894 598 L HN 0.333 nan 8.230 nan 0.000 0.432 599 R N 0.400 120.902 120.500 0.004 0.000 2.347 599 R HA -0.000 4.380 4.340 0.067 0.000 0.304 599 R C 1.177 177.477 176.300 -0.000 0.000 1.072 599 R CA 0.004 56.108 56.100 0.007 0.000 0.980 599 R CB 1.085 31.396 30.300 0.018 0.000 0.986 599 R HN -0.108 nan 8.270 nan 0.000 0.448 600 K N 1.983 122.381 120.400 -0.003 0.000 2.063 600 K HA -0.153 4.207 4.320 0.067 0.000 0.208 600 K C 1.874 178.478 176.600 0.007 0.000 1.048 600 K CA 2.044 58.330 56.287 -0.002 0.000 0.928 600 K CB -0.354 32.141 32.500 -0.007 0.000 0.713 600 K HN 0.789 nan 8.250 nan 0.000 0.442 601 S N -0.065 115.640 115.700 0.008 0.000 2.500 601 S HA -0.038 4.472 4.470 0.067 0.000 0.239 601 S C 1.553 176.166 174.600 0.021 0.000 0.989 601 S CA 1.173 59.381 58.200 0.013 0.000 0.951 601 S CB -0.279 62.928 63.200 0.012 0.000 0.759 601 S HN 0.642 nan 8.310 nan 0.000 0.523 602 K N 0.206 120.620 120.400 0.023 0.000 2.358 602 K HA 0.244 4.605 4.320 0.067 0.000 0.200 602 K C 1.688 178.318 176.600 0.050 0.000 1.030 602 K CA -0.054 56.254 56.287 0.035 0.000 1.097 602 K CB 0.163 32.685 32.500 0.036 0.000 0.862 602 K HN 0.436 nan 8.250 nan 0.000 0.534 603 Q N 0.966 120.790 119.800 0.040 0.000 2.187 603 Q HA -0.086 4.294 4.340 0.067 0.000 0.199 603 Q C 2.426 178.487 176.000 0.102 0.000 0.957 603 Q CA 1.398 57.235 55.803 0.055 0.000 0.857 603 Q CB -0.052 28.700 28.738 0.023 0.000 0.929 603 Q HN 0.295 nan 8.270 nan 0.000 0.453 604 K N 0.929 121.370 120.400 0.068 0.000 2.057 604 K HA 0.030 4.390 4.320 0.067 0.000 0.206 604 K C 2.048 178.687 176.600 0.064 0.000 1.050 604 K CA 1.297 57.620 56.287 0.060 0.000 0.935 604 K CB -1.102 31.420 32.500 0.037 0.000 0.715 604 K HN 0.300 nan 8.250 nan 0.000 0.439 605 A N -0.410 122.447 122.820 0.061 0.000 1.933 605 A HA -0.055 4.306 4.320 0.067 0.000 0.218 605 A C 2.267 179.876 177.584 0.041 0.000 1.175 605 A CA 1.823 53.882 52.037 0.036 0.000 0.628 605 A CB -0.637 18.379 19.000 0.027 0.000 0.814 605 A HN 0.724 nan 8.150 nan 0.000 0.444 606 Y N 0.227 120.509 120.300 -0.030 0.000 2.133 606 Y HA -0.180 4.409 4.550 0.065 0.000 0.287 606 Y C 2.491 178.397 175.900 0.011 0.000 1.134 606 Y CA 2.111 60.193 58.100 -0.032 0.000 1.133 606 Y CB -0.382 38.077 38.460 -0.001 0.000 0.987 606 Y HN 0.113 nan 8.280 nan 0.000 0.502 607 L N 0.216 121.544 121.223 0.174 0.000 2.042 607 L HA -0.251 4.130 4.340 0.067 0.000 0.210 607 L C 2.235 179.100 176.870 -0.009 0.000 1.076 607 L CA 1.980 56.863 54.840 0.071 0.000 0.749 607 L CB -1.448 40.659 42.059 0.080 0.000 0.893 607 L HN 0.435 nan 8.230 nan 0.000 0.432 608 D N -0.722 119.680 120.400 0.004 0.000 2.106 608 D HA -0.202 4.478 4.640 0.067 0.000 0.191 608 D C 1.948 178.245 176.300 -0.005 0.000 0.997 608 D CA 1.693 55.695 54.000 0.003 0.000 0.834 608 D CB -0.436 40.366 40.800 0.004 0.000 0.956 608 D HN 0.419 nan 8.370 nan 0.000 0.448 609 D N 0.204 120.563 120.400 -0.068 0.000 2.104 609 D HA -0.125 4.555 4.640 0.067 0.000 0.194 609 D C 2.005 178.364 176.300 0.099 0.000 0.994 609 D CA 1.499 55.455 54.000 -0.074 0.000 0.830 609 D CB -0.398 40.196 40.800 -0.344 0.000 0.959 609 D HN 0.182 nan 8.370 nan 0.000 0.452 610 A N 0.518 123.362 122.820 0.039 0.000 1.902 610 A HA -0.133 4.227 4.320 0.067 0.000 0.217 610 A C 2.562 180.154 177.584 0.013 0.000 1.181 610 A CA 1.274 53.359 52.037 0.080 0.000 0.623 610 A CB -0.769 18.200 19.000 -0.051 0.000 0.818 610 A HN 0.148 nan 8.150 nan 0.000 0.443 611 V N -0.497 119.385 119.914 -0.052 0.000 2.287 611 V HA -0.306 3.854 4.120 0.067 0.000 0.248 611 V C 2.470 178.385 176.094 -0.297 0.000 1.053 611 V CA 2.585 64.772 62.300 -0.188 0.000 1.027 611 V CB -0.990 30.743 31.823 -0.150 0.000 0.646 611 V HN 0.853 nan 8.190 nan 0.000 0.447 612 H N 0.390 119.375 119.070 -0.143 0.000 2.321 612 H HA -0.089 4.507 4.556 0.067 0.000 0.300 612 H C 2.157 177.495 175.328 0.016 0.000 1.087 612 H CA 1.850 57.879 56.048 -0.033 0.000 1.319 612 H CB -0.184 29.602 29.762 0.039 0.000 1.379 612 H HN 0.363 nan 8.280 nan 0.000 0.501 613 A N -0.141 122.771 122.820 0.155 0.000 1.972 613 A HA -0.157 4.204 4.320 0.067 0.000 0.219 613 A C 2.262 179.849 177.584 0.006 0.000 1.169 613 A CA 1.390 53.488 52.037 0.102 0.000 0.635 613 A CB -1.135 17.952 19.000 0.145 0.000 0.810 613 A HN 0.597 nan 8.150 nan 0.000 0.446 614 F N 0.255 120.113 119.950 -0.153 0.000 2.186 614 F HA -0.143 4.423 4.527 0.066 0.000 0.299 614 F C 2.237 177.987 175.800 -0.083 0.000 1.090 614 F CA 2.067 59.977 58.000 -0.151 0.000 1.307 614 F CB -0.356 38.532 39.000 -0.187 0.000 1.019 614 F HN 0.448 nan 8.300 nan 0.000 0.489 615 H N -0.476 118.591 119.070 -0.005 0.000 2.326 615 H HA -0.115 4.482 4.556 0.068 0.000 0.301 615 H C 2.396 177.596 175.328 -0.213 0.000 1.081 615 H CA 1.523 57.498 56.048 -0.122 0.000 1.334 615 H CB -0.160 29.522 29.762 -0.133 0.000 1.385 615 H HN 0.236 nan 8.280 nan 0.000 0.504 616 I N 0.835 121.338 120.570 -0.111 0.000 2.194 616 I HA -0.327 3.884 4.170 0.067 0.000 0.246 616 I C 2.693 178.733 176.117 -0.127 0.000 1.093 616 I CA 1.087 62.317 61.300 -0.117 0.000 1.355 616 I CB -0.265 37.689 38.000 -0.076 0.000 1.046 616 I HN 0.343 nan 8.210 nan 0.000 0.413 617 A N 0.016 122.725 122.820 -0.185 0.000 1.968 617 A HA -0.140 4.221 4.320 0.067 0.000 0.217 617 A C 2.161 179.584 177.584 -0.269 0.000 1.169 617 A CA 2.012 53.910 52.037 -0.232 0.000 0.638 617 A CB -0.622 18.202 19.000 -0.293 0.000 0.812 617 A HN 0.512 nan 8.150 nan 0.000 0.446 618 T N -5.074 109.279 114.554 -0.334 0.000 3.091 618 T HA 0.231 4.621 4.350 0.067 0.000 0.277 618 T C 0.985 175.585 174.700 -0.168 0.000 0.996 618 T CA 0.683 62.598 62.100 -0.308 0.000 0.897 618 T CB 0.269 68.815 68.868 -0.535 0.000 1.109 618 T HN 0.100 nan 8.240 nan 0.000 0.534 619 S N 1.223 116.846 115.700 -0.128 0.000 2.575 619 S HA 0.204 4.714 4.470 0.067 0.000 0.215 619 S C 1.410 175.964 174.600 -0.076 0.000 0.966 619 S CA -0.227 57.919 58.200 -0.090 0.000 0.911 619 S CB 0.022 63.168 63.200 -0.090 0.000 0.780 619 S HN 0.475 nan 8.310 nan 0.000 0.514 620 S N 1.499 117.151 115.700 -0.079 0.000 2.568 620 S HA 0.203 4.713 4.470 0.067 0.000 0.232 620 S C 0.598 175.165 174.600 -0.055 0.000 0.975 620 S CA -0.414 57.748 58.200 -0.063 0.000 0.949 620 S CB 0.208 63.369 63.200 -0.066 0.000 0.829 620 S HN 0.460 nan 8.310 nan 0.000 0.479 621 V N -0.069 119.812 119.914 -0.055 0.000 2.904 621 V HA 0.499 4.659 4.120 0.067 0.000 0.305 621 V C 0.019 176.096 176.094 -0.028 0.000 1.067 621 V CA -1.290 60.985 62.300 -0.041 0.000 1.044 621 V CB 0.600 32.400 31.823 -0.039 0.000 1.050 621 V HN 0.071 nan 8.190 nan 0.000 0.475 622 K N 0.862 121.251 120.400 -0.019 0.000 2.230 622 K HA 0.309 4.669 4.320 0.067 0.000 0.253 622 K C 1.379 177.975 176.600 -0.006 0.000 1.008 622 K CA 0.614 56.894 56.287 -0.012 0.000 0.910 622 K CB 0.091 32.587 32.500 -0.007 0.000 0.994 622 K HN 0.892 nan 8.250 nan 0.000 0.495 623 D N 1.351 121.749 120.400 -0.004 0.000 2.264 623 D HA -0.156 4.524 4.640 0.067 0.000 0.208 623 D C 1.520 177.828 176.300 0.013 0.000 0.966 623 D CA 1.503 55.504 54.000 0.002 0.000 0.864 623 D CB -0.450 40.350 40.800 -0.001 0.000 0.933 623 D HN 0.772 nan 8.370 nan 0.000 0.499 624 E N -0.541 119.668 120.200 0.014 0.000 2.299 624 E HA -0.015 4.375 4.350 0.067 0.000 0.193 624 E C 0.374 176.995 176.600 0.034 0.000 0.998 624 E CA 0.508 56.923 56.400 0.025 0.000 0.851 624 E CB -0.128 29.583 29.700 0.020 0.000 0.795 624 E HN 0.255 nan 8.360 nan 0.000 0.492 625 T N 1.971 116.540 114.554 0.025 0.000 2.779 625 T HA 0.037 4.427 4.350 0.067 0.000 0.296 625 T C -0.471 174.257 174.700 0.046 0.000 0.938 625 T CA -0.082 62.034 62.100 0.027 0.000 1.119 625 T CB 1.142 70.014 68.868 0.007 0.000 0.891 625 T HN 0.181 nan 8.240 nan 0.000 0.526 626 Q N 3.916 123.761 119.800 0.075 0.000 2.322 626 Q HA 0.305 4.685 4.340 0.067 0.000 0.256 626 Q C -0.707 175.391 176.000 0.163 0.000 0.960 626 Q CA -0.613 55.271 55.803 0.136 0.000 0.934 626 Q CB 0.383 29.252 28.738 0.218 0.000 1.200 626 Q HN 0.488 nan 8.270 nan 0.000 0.435 627 I N 5.258 125.924 120.570 0.161 0.000 2.304 627 I HA 0.244 4.454 4.170 0.067 0.000 0.291 627 I C 0.116 176.377 176.117 0.241 0.000 1.018 627 I CA -0.147 61.248 61.300 0.158 0.000 1.260 627 I CB 0.614 38.666 38.000 0.086 0.000 1.390 627 I HN 0.698 nan 8.210 nan 0.000 0.475 628 H N 3.496 122.550 119.070 -0.026 0.000 2.533 628 H HA 0.483 5.079 4.556 0.067 0.000 0.343 628 H C -0.290 175.063 175.328 0.041 0.000 1.160 628 H CA -0.581 55.431 56.048 -0.059 0.000 1.218 628 H CB 2.793 32.450 29.762 -0.174 0.000 1.566 628 H HN 0.427 nan 8.280 nan 0.000 0.522 629 T N 1.047 115.684 114.554 0.140 0.000 2.971 629 T HA 0.134 4.524 4.350 0.067 0.000 0.304 629 T C -1.538 173.219 174.700 0.095 0.000 1.038 629 T CA -0.705 61.476 62.100 0.134 0.000 1.007 629 T CB 0.762 69.693 68.868 0.105 0.000 1.055 629 T HN 0.605 nan 8.240 nan 0.000 0.451 630 H N 4.495 123.572 119.070 0.011 0.000 2.467 630 H HA 0.689 5.285 4.556 0.067 0.000 0.326 630 H C -0.524 174.818 175.328 0.024 0.000 1.094 630 H CA -0.586 55.467 56.048 0.009 0.000 1.253 630 H CB 0.780 30.542 29.762 0.000 0.000 1.439 630 H HN 0.518 nan 8.280 nan 0.000 0.479 631 M N 5.189 124.539 119.600 -0.416 0.000 2.093 631 M HA 0.235 4.755 4.480 0.067 0.000 0.297 631 M C -0.867 175.304 176.300 -0.215 0.000 0.938 631 M CA -0.807 54.363 55.300 -0.216 0.000 0.920 631 M CB 1.380 33.950 32.600 -0.051 0.000 1.517 631 M HN 0.573 nan 8.290 nan 0.000 0.427 632 C N 3.918 123.145 119.300 -0.123 0.000 2.667 632 C HA 0.341 4.841 4.460 0.067 0.000 0.392 632 C C -0.379 174.716 174.990 0.174 0.000 1.332 632 C CA -0.060 58.984 59.018 0.044 0.000 1.594 632 C CB -1.975 25.846 27.740 0.135 0.000 2.345 632 C HN 0.688 nan 8.230 nan 0.000 0.594 633 Y N 1.387 121.640 120.300 -0.078 0.000 2.573 633 Y HA 0.393 4.982 4.550 0.065 0.000 0.328 633 Y C 0.687 176.434 175.900 -0.255 0.000 1.170 633 Y CA -0.172 57.772 58.100 -0.260 0.000 1.078 633 Y CB 1.336 39.470 38.460 -0.544 0.000 1.341 633 Y HN 0.558 nan 8.280 nan 0.000 0.459 634 S N 1.320 116.682 115.700 -0.563 0.000 2.527 634 S HA 0.343 4.853 4.470 0.067 0.000 0.225 634 S C 0.519 174.931 174.600 -0.314 0.000 1.046 634 S CA 0.524 58.548 58.200 -0.293 0.000 0.929 634 S CB -0.259 62.794 63.200 -0.244 0.000 0.851 634 S HN 0.701 nan 8.310 nan 0.000 0.565 635 K N 0.953 121.020 120.400 -0.555 0.000 2.285 635 K HA 0.644 5.004 4.320 0.067 0.000 0.286 635 K C -0.419 176.032 176.600 -0.248 0.000 1.072 635 K CA -0.602 55.512 56.287 -0.287 0.000 0.913 635 K CB -0.632 31.718 32.500 -0.249 0.000 1.067 635 K HN 0.446 nan 8.250 nan 0.000 0.479 636 F N 0.676 120.674 119.950 0.079 0.000 2.682 636 F HA 0.123 4.691 4.527 0.068 0.000 0.308 636 F C 2.409 178.185 175.800 -0.041 0.000 1.093 636 F CA 0.589 58.627 58.000 0.063 0.000 1.244 636 F CB 0.446 39.447 39.000 0.002 0.000 1.052 636 F HN 0.726 nan 8.300 nan 0.000 0.573 637 D N 0.340 120.809 120.400 0.115 0.000 2.144 637 D HA -0.183 4.497 4.640 0.067 0.000 0.199 637 D C 1.869 178.185 176.300 0.026 0.000 0.984 637 D CA 1.630 55.657 54.000 0.047 0.000 0.834 637 D CB -0.324 40.497 40.800 0.036 0.000 0.955 637 D HN 0.269 nan 8.370 nan 0.000 0.465 638 E N -0.650 119.571 120.200 0.036 0.000 2.152 638 E HA 0.066 4.456 4.350 0.067 0.000 0.192 638 E C 2.035 178.649 176.600 0.023 0.000 0.983 638 E CA 0.788 57.205 56.400 0.028 0.000 0.818 638 E CB 0.029 29.749 29.700 0.034 0.000 0.758 638 E HN 0.877 nan 8.360 nan 0.000 0.467 639 I N -2.419 118.169 120.570 0.031 0.000 3.974 639 I HA 0.251 4.461 4.170 0.067 0.000 0.334 639 I C 1.236 177.346 176.117 -0.011 0.000 1.437 639 I CA -0.152 61.152 61.300 0.007 0.000 1.113 639 I CB 0.329 38.315 38.000 -0.024 0.000 1.063 639 I HN -0.095 nan 8.210 nan 0.000 0.400 640 I N 2.964 123.510 120.570 -0.039 0.000 2.335 640 I HA -0.254 3.957 4.170 0.067 0.000 0.251 640 I C 1.536 177.623 176.117 -0.050 0.000 1.129 640 I CA 1.852 63.073 61.300 -0.130 0.000 1.402 640 I CB -0.361 37.507 38.000 -0.219 0.000 1.069 640 I HN 0.296 nan 8.210 nan 0.000 0.424 641 D N 0.649 121.040 120.400 -0.015 0.000 2.097 641 D HA -0.163 4.517 4.640 0.067 0.000 0.195 641 D C 2.300 178.612 176.300 0.020 0.000 0.989 641 D CA 1.578 55.585 54.000 0.012 0.000 0.827 641 D CB -0.452 40.356 40.800 0.013 0.000 0.966 641 D HN 0.426 nan 8.370 nan 0.000 0.456 642 A N 0.447 123.269 122.820 0.004 0.000 1.933 642 A HA -0.140 4.220 4.320 0.067 0.000 0.218 642 A C 2.243 179.814 177.584 -0.022 0.000 1.175 642 A CA 0.950 52.982 52.037 -0.009 0.000 0.628 642 A CB -0.767 18.218 19.000 -0.025 0.000 0.814 642 A HN 0.196 nan 8.150 nan 0.000 0.444 643 I N -0.577 119.985 120.570 -0.013 0.000 2.226 643 I HA -0.282 3.928 4.170 0.067 0.000 0.245 643 I C 3.250 179.446 176.117 0.132 0.000 1.100 643 I CA 1.417 62.721 61.300 0.005 0.000 1.374 643 I CB -0.426 37.562 38.000 -0.020 0.000 1.057 643 I HN 0.460 nan 8.210 nan 0.000 0.413 644 R N 0.975 121.596 120.500 0.202 0.000 2.120 644 R HA -0.026 4.354 4.340 0.067 0.000 0.234 644 R C 2.297 178.654 176.300 0.094 0.000 1.123 644 R CA 1.491 57.709 56.100 0.197 0.000 0.975 644 R CB -1.665 28.706 30.300 0.117 0.000 0.866 644 R HN 0.520 nan 8.270 nan 0.000 0.446 645 A N 0.986 123.858 122.820 0.086 0.000 2.019 645 A HA 0.073 4.433 4.320 0.067 0.000 0.219 645 A C 2.405 180.128 177.584 0.231 0.000 1.164 645 A CA 1.270 53.384 52.037 0.128 0.000 0.644 645 A CB -0.297 18.763 19.000 0.101 0.000 0.805 645 A HN 0.485 nan 8.150 nan 0.000 0.449 646 L N -1.332 119.945 121.223 0.089 0.000 2.127 646 L HA -0.187 4.193 4.340 0.067 0.000 0.211 646 L C 1.147 178.211 176.870 0.324 0.000 1.089 646 L CA 1.270 56.144 54.840 0.056 0.000 0.757 646 L CB -0.630 41.175 42.059 -0.424 0.000 0.899 646 L HN 0.484 nan 8.230 nan 0.000 0.434 647 D N -0.641 119.876 120.400 0.194 0.000 2.870 647 D HA -0.160 4.520 4.640 0.067 0.000 0.228 647 D C 0.275 176.675 176.300 0.167 0.000 1.147 647 D CA 0.691 54.777 54.000 0.143 0.000 0.757 647 D CB -0.538 40.332 40.800 0.117 0.000 1.091 647 D HN 0.385 nan 8.370 nan 0.000 0.429 648 A N 0.296 123.226 122.820 0.183 0.000 2.450 648 A HA 0.246 4.606 4.320 0.067 0.000 0.255 648 A C 1.404 179.023 177.584 0.059 0.000 1.096 648 A CA 0.277 52.421 52.037 0.179 0.000 0.778 648 A CB 0.490 19.581 19.000 0.152 0.000 1.031 648 A HN 0.220 nan 8.150 nan 0.000 0.494 649 D N 0.783 121.197 120.400 0.024 0.000 2.133 649 D HA -0.091 4.589 4.640 0.067 0.000 0.195 649 D C 0.269 176.471 176.300 -0.162 0.000 0.997 649 D CA 1.802 55.774 54.000 -0.047 0.000 0.840 649 D CB -0.019 40.770 40.800 -0.018 0.000 0.947 649 D HN 0.271 nan 8.370 nan 0.000 0.452 650 V N 0.992 120.714 119.914 -0.321 0.000 2.668 650 V HA 0.319 4.479 4.120 0.067 0.000 0.304 650 V C -0.378 175.528 176.094 -0.313 0.000 1.071 650 V CA -0.846 61.163 62.300 -0.484 0.000 0.894 650 V CB 2.795 33.898 31.823 -1.200 0.000 1.008 650 V HN -0.049 nan 8.190 nan 0.000 0.425 651 I N 4.651 125.113 120.570 -0.180 0.000 2.330 651 I HA 0.598 4.808 4.170 0.067 0.000 0.289 651 I C 0.431 176.444 176.117 -0.174 0.000 1.001 651 I CA 0.033 61.254 61.300 -0.133 0.000 1.193 651 I CB 1.519 39.473 38.000 -0.077 0.000 1.345 651 I HN 0.777 nan 8.210 nan 0.000 0.461 652 S N 7.431 123.086 115.700 -0.075 0.000 2.499 652 S HA 0.718 5.228 4.470 0.067 0.000 0.279 652 S C -0.106 174.509 174.600 0.024 0.000 1.219 652 S CA -0.594 57.615 58.200 0.015 0.000 1.062 652 S CB 1.240 64.540 63.200 0.167 0.000 0.978 652 S HN 0.618 nan 8.310 nan 0.000 0.489 653 I N -0.802 119.754 120.570 -0.024 0.000 3.108 653 I HA 0.719 4.929 4.170 0.067 0.000 0.312 653 I C -0.875 175.298 176.117 0.094 0.000 1.095 653 I CA -1.356 59.938 61.300 -0.010 0.000 1.000 653 I CB 1.020 38.884 38.000 -0.226 0.000 1.229 653 I HN 0.855 nan 8.210 nan 0.000 0.454 654 E N 0.832 121.126 120.200 0.157 0.000 2.081 654 E HA 0.440 4.830 4.350 0.067 0.000 0.276 654 E C 0.459 177.123 176.600 0.107 0.000 0.950 654 E CA 0.272 56.760 56.400 0.148 0.000 0.776 654 E CB 1.490 31.292 29.700 0.171 0.000 1.094 654 E HN 0.947 nan 8.360 nan 0.000 0.402 655 T N -1.401 113.186 114.554 0.055 0.000 2.971 655 T HA -0.075 4.315 4.350 0.067 0.000 0.252 655 T C 1.915 176.604 174.700 -0.017 0.000 1.022 655 T CA 0.467 62.580 62.100 0.021 0.000 0.980 655 T CB 0.079 68.942 68.868 -0.008 0.000 1.044 655 T HN 0.309 nan 8.240 nan 0.000 0.501 656 S N 2.256 117.949 115.700 -0.012 0.000 2.374 656 S HA -0.165 4.345 4.470 0.067 0.000 0.227 656 S C 2.475 176.967 174.600 -0.179 0.000 1.037 656 S CA 1.627 59.796 58.200 -0.051 0.000 1.024 656 S CB -1.075 62.122 63.200 -0.005 0.000 0.861 656 S HN 0.815 nan 8.310 nan 0.000 0.456 657 R N 1.185 121.604 120.500 -0.135 0.000 2.152 657 R HA 0.088 4.468 4.340 0.067 0.000 0.232 657 R C 2.470 178.578 176.300 -0.319 0.000 1.117 657 R CA 1.903 57.887 56.100 -0.192 0.000 0.981 657 R CB -1.615 28.635 30.300 -0.083 0.000 0.870 657 R HN 0.975 nan 8.270 nan 0.000 0.451 658 S N -2.039 113.515 115.700 -0.243 0.000 2.539 658 S HA 0.107 4.618 4.470 0.067 0.000 0.221 658 S C 0.139 174.686 174.600 -0.089 0.000 0.987 658 S CA 0.288 58.397 58.200 -0.151 0.000 0.929 658 S CB -0.233 62.959 63.200 -0.013 0.000 0.832 658 S HN 0.703 nan 8.310 nan 0.000 0.492 659 H N 0.741 119.820 119.070 0.014 0.000 2.862 659 H HA -0.171 4.425 4.556 0.067 0.000 0.290 659 H C 1.392 176.715 175.328 -0.009 0.000 1.211 659 H CA 0.838 56.887 56.048 0.002 0.000 1.140 659 H CB -2.014 27.748 29.762 -0.000 0.000 1.341 659 H HN 1.057 nan 8.280 nan 0.000 0.392 660 G N -0.311 108.516 108.800 0.045 0.000 2.199 660 G HA2 -0.347 3.653 3.960 0.067 0.000 0.254 660 G HA3 -0.347 3.653 3.960 0.067 0.000 0.254 660 G C 0.827 175.745 174.900 0.030 0.000 0.982 660 G CA 0.598 45.705 45.100 0.010 0.000 0.632 660 G HN 0.469 nan 8.290 nan 0.000 0.529 661 D N 0.258 120.695 120.400 0.062 0.000 2.309 661 D HA 0.110 4.790 4.640 0.067 0.000 0.212 661 D C 2.802 179.153 176.300 0.085 0.000 0.968 661 D CA 1.389 55.432 54.000 0.071 0.000 0.882 661 D CB -0.533 40.315 40.800 0.081 0.000 0.918 661 D HN 1.006 nan 8.370 nan 0.000 0.503 662 I N 0.277 120.902 120.570 0.091 0.000 2.850 662 I HA -0.096 4.114 4.170 0.067 0.000 0.266 662 I C 2.166 178.389 176.117 0.176 0.000 1.257 662 I CA 0.685 62.075 61.300 0.151 0.000 1.465 662 I CB -1.019 37.090 38.000 0.182 0.000 1.091 662 I HN -0.020 nan 8.210 nan 0.000 0.467 663 I N 1.650 122.287 120.570 0.112 0.000 2.700 663 I HA -0.069 4.141 4.170 0.067 0.000 0.261 663 I C 2.639 178.885 176.117 0.216 0.000 1.219 663 I CA 1.541 62.924 61.300 0.138 0.000 1.463 663 I CB -0.884 37.153 38.000 0.063 0.000 1.092 663 I HN 0.557 nan 8.210 nan 0.000 0.452 664 E N 0.216 120.511 120.200 0.160 0.000 2.048 664 E HA -0.347 4.043 4.350 0.067 0.000 0.202 664 E C 2.241 178.919 176.600 0.130 0.000 1.021 664 E CA 2.412 58.890 56.400 0.128 0.000 0.825 664 E CB -1.652 28.107 29.700 0.098 0.000 0.756 664 E HN 0.742 nan 8.360 nan 0.000 0.454 665 S N 0.077 115.851 115.700 0.124 0.000 2.400 665 S HA -0.077 4.433 4.470 0.067 0.000 0.232 665 S C 1.987 176.554 174.600 -0.056 0.000 1.025 665 S CA 1.435 59.646 58.200 0.020 0.000 0.993 665 S CB -0.543 62.647 63.200 -0.015 0.000 0.808 665 S HN 0.494 nan 8.310 nan 0.000 0.478 666 F N 2.124 122.062 119.950 -0.020 0.000 2.259 666 F HA 0.087 4.653 4.527 0.066 0.000 0.298 666 F C 2.611 178.453 175.800 0.071 0.000 1.088 666 F CA 0.952 58.939 58.000 -0.022 0.000 1.358 666 F CB -0.425 38.501 39.000 -0.123 0.000 1.040 666 F HN 0.219 nan 8.300 nan 0.000 0.505 667 E N -0.270 120.074 120.200 0.240 0.000 2.028 667 E HA -0.162 4.229 4.350 0.067 0.000 0.191 667 E C 2.148 178.819 176.600 0.119 0.000 0.988 667 E CA 1.859 58.362 56.400 0.172 0.000 0.799 667 E CB -0.406 29.377 29.700 0.139 0.000 0.755 667 E HN 0.233 nan 8.360 nan 0.000 0.447 668 T N 0.682 115.289 114.554 0.089 0.000 2.803 668 T HA -0.142 4.248 4.350 0.067 0.000 0.269 668 T C 1.681 176.414 174.700 0.055 0.000 1.052 668 T CA 1.231 63.367 62.100 0.060 0.000 1.136 668 T CB -0.100 68.793 68.868 0.042 0.000 0.864 668 T HN 0.195 nan 8.240 nan 0.000 0.467 669 A N 0.692 123.549 122.820 0.062 0.000 2.251 669 A HA 0.415 4.776 4.320 0.067 0.000 0.209 669 A C 1.243 178.886 177.584 0.099 0.000 1.187 669 A CA -0.188 51.886 52.037 0.061 0.000 0.823 669 A CB -0.348 18.672 19.000 0.032 0.000 0.846 669 A HN 0.351 nan 8.150 nan 0.000 0.486 670 V N -0.940 119.043 119.914 0.115 0.000 5.359 670 V HA -0.285 3.875 4.120 0.067 0.000 0.278 670 V C 0.399 176.574 176.094 0.135 0.000 0.622 670 V CA 1.052 63.420 62.300 0.113 0.000 0.649 670 V CB -2.805 29.056 31.823 0.062 0.000 0.408 670 V HN 0.655 nan 8.190 nan 0.000 0.918 671 Y N 3.229 123.574 120.300 0.075 0.000 2.804 671 Y HA 0.178 4.768 4.550 0.067 0.000 0.338 671 Y C -0.436 175.487 175.900 0.037 0.000 1.252 671 Y CA -0.823 57.330 58.100 0.089 0.000 1.576 671 Y CB 1.043 39.665 38.460 0.270 0.000 1.223 671 Y HN 0.288 nan 8.280 nan 0.000 0.536 672 P HA 0.055 nan 4.420 nan 0.000 0.239 672 P C -0.621 176.514 177.300 -0.277 0.000 1.188 672 P CA 0.459 63.425 63.100 -0.223 0.000 0.794 672 P CB 0.421 32.001 31.700 -0.199 0.000 0.937 673 L N -0.616 120.280 121.223 -0.546 0.000 2.488 673 L HA 0.485 4.865 4.340 0.067 0.000 0.249 673 L C 1.446 178.296 176.870 -0.033 0.000 1.151 673 L CA -0.470 54.190 54.840 -0.299 0.000 0.806 673 L CB -0.763 41.074 42.059 -0.371 0.000 1.261 673 L HN -0.135 nan 8.230 nan 0.000 0.484 674 G N 0.096 108.882 108.800 -0.024 0.000 2.483 674 G HA2 0.521 4.522 3.960 0.067 0.000 0.248 674 G HA3 0.521 4.522 3.960 0.067 0.000 0.248 674 G C -0.624 174.230 174.900 -0.077 0.000 1.248 674 G CA -0.239 44.824 45.100 -0.062 0.000 0.838 674 G HN 0.417 nan 8.290 nan 0.000 0.566 675 I N 0.920 121.393 120.570 -0.161 0.000 2.569 675 I HA 0.404 4.614 4.170 0.067 0.000 0.290 675 I C 0.439 176.551 176.117 -0.009 0.000 1.088 675 I CA -0.932 60.248 61.300 -0.200 0.000 1.047 675 I CB 2.478 40.270 38.000 -0.347 0.000 1.237 675 I HN 0.588 nan 8.210 nan 0.000 0.421 676 G N 6.675 115.435 108.800 -0.067 0.000 2.319 676 G HA2 0.646 4.647 3.960 0.067 0.000 0.308 676 G HA3 0.646 4.647 3.960 0.067 0.000 0.308 676 G C -0.658 174.287 174.900 0.074 0.000 1.117 676 G CA -0.468 44.677 45.100 0.074 0.000 0.903 676 G HN 0.472 nan 8.290 nan 0.000 0.436 677 L N 3.080 124.383 121.223 0.132 0.000 2.259 677 L HA 0.386 4.766 4.340 0.067 0.000 0.288 677 L C 1.115 178.023 176.870 0.064 0.000 1.051 677 L CA -0.778 54.096 54.840 0.056 0.000 0.824 677 L CB 1.390 43.452 42.059 0.005 0.000 1.206 677 L HN 0.557 nan 8.230 nan 0.000 0.429 678 G N 2.537 111.375 108.800 0.064 0.000 2.389 678 G HA2 0.327 4.328 3.960 0.067 0.000 0.287 678 G HA3 0.327 4.328 3.960 0.067 0.000 0.287 678 G C 0.758 175.688 174.900 0.050 0.000 1.126 678 G CA -0.283 44.863 45.100 0.078 0.000 1.073 678 G HN 0.603 nan 8.290 nan 0.000 0.429 679 V N -0.337 119.604 119.914 0.046 0.000 3.319 679 V HA 0.625 4.785 4.120 0.067 0.000 0.317 679 V C 0.335 176.450 176.094 0.035 0.000 1.411 679 V CA -0.015 62.304 62.300 0.032 0.000 1.112 679 V CB -1.640 30.199 31.823 0.027 0.000 1.031 679 V HN 0.929 nan 8.190 nan 0.000 0.448 680 Y N -1.271 119.052 120.300 0.040 0.000 2.399 680 Y HA 0.685 5.275 4.550 0.067 0.000 0.327 680 Y C -0.871 175.053 175.900 0.040 0.000 1.111 680 Y CA -1.317 56.806 58.100 0.038 0.000 1.047 680 Y CB 1.015 39.498 38.460 0.039 0.000 1.259 680 Y HN 0.253 nan 8.280 nan 0.000 0.434 681 D N 3.411 123.836 120.400 0.041 0.000 2.363 681 D HA 0.153 4.833 4.640 0.067 0.000 0.263 681 D C 1.155 177.479 176.300 0.039 0.000 1.258 681 D CA 0.248 54.284 54.000 0.060 0.000 0.907 681 D CB 0.590 41.426 40.800 0.061 0.000 1.107 681 D HN 0.747 nan 8.370 nan 0.000 0.495 682 I N 1.477 122.041 120.570 -0.009 0.000 3.251 682 I HA 0.003 4.213 4.170 0.067 0.000 0.277 682 I C 1.219 177.229 176.117 -0.179 0.000 1.268 682 I CA 0.765 61.999 61.300 -0.111 0.000 1.449 682 I CB -0.265 37.624 38.000 -0.185 0.000 1.083 682 I HN 0.351 nan 8.210 nan 0.000 0.464 683 H N 1.283 120.369 119.070 0.027 0.000 2.539 683 H HA 0.448 5.044 4.556 0.067 0.000 0.267 683 H C 0.711 176.047 175.328 0.014 0.000 0.982 683 H CA 0.632 56.692 56.048 0.020 0.000 1.146 683 H CB 0.027 29.794 29.762 0.010 0.000 1.382 683 H HN 0.587 nan 8.280 nan 0.000 0.577 684 S N 1.589 117.344 115.700 0.092 0.000 2.502 684 S HA 0.381 4.891 4.470 0.067 0.000 0.304 684 S C -1.896 172.729 174.600 0.041 0.000 1.097 684 S CA -1.750 56.487 58.200 0.061 0.000 1.045 684 S CB 1.633 64.864 63.200 0.052 0.000 1.019 684 S HN -0.193 nan 8.310 nan 0.000 0.481 685 P HA 0.099 nan 4.420 nan 0.000 0.234 685 P C 0.807 178.125 177.300 0.031 0.000 1.167 685 P CA 0.509 63.630 63.100 0.034 0.000 0.763 685 P CB -0.158 31.561 31.700 0.032 0.000 0.835 686 R N 0.518 121.035 120.500 0.029 0.000 2.543 686 R HA 0.497 4.877 4.340 0.067 0.000 0.277 686 R C 0.237 176.554 176.300 0.028 0.000 1.074 686 R CA 0.133 56.249 56.100 0.026 0.000 1.076 686 R CB -1.306 29.009 30.300 0.026 0.000 0.993 686 R HN 0.122 nan 8.270 nan 0.000 0.459 687 V N 3.774 123.703 119.914 0.025 0.000 2.364 687 V HA 0.513 4.673 4.120 0.067 0.000 0.272 687 V C -1.180 174.929 176.094 0.025 0.000 1.036 687 V CA -2.069 60.247 62.300 0.026 0.000 0.880 687 V CB 0.790 32.626 31.823 0.022 0.000 0.991 687 V HN 0.972 nan 8.190 nan 0.000 0.460 688 P HA 0.369 nan 4.420 nan 0.000 0.270 688 P C 0.189 177.504 177.300 0.024 0.000 1.227 688 P CA 0.540 63.658 63.100 0.030 0.000 0.788 688 P CB 0.412 32.132 31.700 0.034 0.000 0.926 689 T N -0.292 114.276 114.554 0.023 0.000 2.904 689 T HA 0.135 4.525 4.350 0.067 0.000 0.290 689 T C 1.117 175.826 174.700 0.016 0.000 1.018 689 T CA -0.491 61.619 62.100 0.017 0.000 1.075 689 T CB 0.389 69.265 68.868 0.014 0.000 0.986 689 T HN 0.387 nan 8.240 nan 0.000 0.523 690 K N 0.691 121.097 120.400 0.010 0.000 2.147 690 K HA -0.068 4.292 4.320 0.067 0.000 0.205 690 K C 2.385 178.989 176.600 0.006 0.000 1.049 690 K CA 1.943 58.235 56.287 0.008 0.000 0.936 690 K CB -0.206 32.296 32.500 0.004 0.000 0.722 690 K HN 0.780 nan 8.250 nan 0.000 0.446 691 E N 1.206 121.408 120.200 0.005 0.000 2.112 691 E HA -0.179 4.211 4.350 0.067 0.000 0.190 691 E C 1.632 178.235 176.600 0.005 0.000 0.979 691 E CA 1.160 57.561 56.400 0.001 0.000 0.814 691 E CB -0.548 29.151 29.700 -0.003 0.000 0.762 691 E HN 0.621 nan 8.360 nan 0.000 0.460 692 E N -0.105 120.103 120.200 0.014 0.000 2.110 692 E HA -0.104 4.286 4.350 0.067 0.000 0.193 692 E C 2.279 178.901 176.600 0.037 0.000 0.988 692 E CA 1.344 57.762 56.400 0.030 0.000 0.804 692 E CB -0.240 29.484 29.700 0.041 0.000 0.745 692 E HN 0.474 nan 8.360 nan 0.000 0.458 693 V N 1.060 120.990 119.914 0.026 0.000 2.346 693 V HA -0.130 4.030 4.120 0.067 0.000 0.244 693 V C 2.375 178.475 176.094 0.010 0.000 1.037 693 V CA 2.040 64.354 62.300 0.023 0.000 1.029 693 V CB -0.866 30.970 31.823 0.021 0.000 0.663 693 V HN 0.219 nan 8.190 nan 0.000 0.454 694 V N 0.704 120.619 119.914 0.003 0.000 2.392 694 V HA -0.249 3.911 4.120 0.067 0.000 0.249 694 V C 2.698 178.783 176.094 -0.016 0.000 1.059 694 V CA 3.029 65.324 62.300 -0.009 0.000 1.051 694 V CB -0.559 31.258 31.823 -0.009 0.000 0.658 694 V HN 0.764 nan 8.190 nan 0.000 0.455 695 A N 0.101 122.916 122.820 -0.008 0.000 1.969 695 A HA -0.206 4.155 4.320 0.067 0.000 0.218 695 A C 2.126 179.707 177.584 -0.005 0.000 1.169 695 A CA 1.823 53.852 52.037 -0.012 0.000 0.635 695 A CB -0.867 18.126 19.000 -0.013 0.000 0.810 695 A HN 0.658 nan 8.150 nan 0.000 0.445 696 N N 0.297 119.005 118.700 0.013 0.000 2.331 696 N HA -0.032 4.748 4.740 0.067 0.000 0.180 696 N C 1.450 176.936 175.510 -0.040 0.000 1.019 696 N CA 1.244 54.305 53.050 0.018 0.000 0.881 696 N CB -0.267 38.244 38.487 0.040 0.000 0.972 696 N HN 0.562 nan 8.380 nan 0.000 0.435 697 I N 0.341 120.878 120.570 -0.055 0.000 2.406 697 I HA -0.099 4.112 4.170 0.067 0.000 0.249 697 I C 1.757 177.776 176.117 -0.162 0.000 1.122 697 I CA 0.732 61.967 61.300 -0.108 0.000 1.431 697 I CB -0.149 37.809 38.000 -0.070 0.000 1.087 697 I HN 0.096 nan 8.210 nan 0.000 0.424 698 E N 0.654 120.792 120.200 -0.104 0.000 2.152 698 E HA -0.211 4.179 4.350 0.067 0.000 0.192 698 E C 2.095 178.631 176.600 -0.106 0.000 0.983 698 E CA 0.469 56.809 56.400 -0.100 0.000 0.818 698 E CB -0.004 29.663 29.700 -0.055 0.000 0.758 698 E HN 0.220 nan 8.360 nan 0.000 0.467 699 R N 1.642 122.089 120.500 -0.088 0.000 2.094 699 R HA -0.138 4.243 4.340 0.067 0.000 0.239 699 R C -0.932 175.309 176.300 -0.098 0.000 1.137 699 R CA 1.820 57.881 56.100 -0.065 0.000 0.943 699 R CB -1.442 28.841 30.300 -0.028 0.000 0.850 699 R HN 0.106 nan 8.270 nan 0.000 0.433 700 P HA -0.011 nan 4.420 nan 0.000 0.234 700 P C 0.237 177.351 177.300 -0.310 0.000 1.167 700 P CA 0.945 63.876 63.100 -0.281 0.000 0.763 700 P CB 0.016 31.378 31.700 -0.564 0.000 0.835 701 L N -1.143 119.934 121.223 -0.243 0.000 2.611 701 L HA 0.198 4.579 4.340 0.067 0.000 0.229 701 L C 2.429 179.301 176.870 0.004 0.000 1.137 701 L CA 0.023 54.806 54.840 -0.095 0.000 0.901 701 L CB -0.396 41.604 42.059 -0.097 0.000 1.098 701 L HN -0.047 nan 8.230 nan 0.000 0.456 702 R N 0.923 121.425 120.500 0.003 0.000 2.081 702 R HA -0.209 4.171 4.340 0.067 0.000 0.235 702 R C 2.062 178.394 176.300 0.053 0.000 1.131 702 R CA 2.288 58.403 56.100 0.025 0.000 0.960 702 R CB 0.156 30.469 30.300 0.023 0.000 0.856 702 R HN 0.448 nan 8.270 nan 0.000 0.436 703 Q N -0.390 119.461 119.800 0.085 0.000 2.570 703 Q HA 0.244 4.624 4.340 0.067 0.000 0.222 703 Q C 0.468 176.545 176.000 0.128 0.000 0.769 703 Q CA -0.135 55.724 55.803 0.094 0.000 0.934 703 Q CB 0.060 28.851 28.738 0.089 0.000 1.309 703 Q HN 0.147 nan 8.270 nan 0.000 0.565 704 L N 3.093 124.432 121.223 0.193 0.000 2.483 704 L HA 0.305 4.685 4.340 0.067 0.000 0.276 704 L C 1.047 178.071 176.870 0.258 0.000 1.213 704 L CA 0.235 55.210 54.840 0.226 0.000 0.843 704 L CB 1.222 43.472 42.059 0.318 0.000 1.107 704 L HN 0.572 nan 8.230 nan 0.000 0.487 705 S N 3.540 119.325 115.700 0.141 0.000 2.562 705 S HA 0.216 4.726 4.470 0.067 0.000 0.281 705 S C -1.750 172.975 174.600 0.208 0.000 1.333 705 S CA -0.874 57.402 58.200 0.127 0.000 1.052 705 S CB 0.571 63.800 63.200 0.049 0.000 0.884 705 S HN 0.533 nan 8.310 nan 0.000 0.506 706 P HA -0.085 nan 4.420 nan 0.000 0.219 706 P C 1.501 178.921 177.300 0.201 0.000 1.146 706 P CA 1.434 64.708 63.100 0.289 0.000 0.808 706 P CB -0.412 31.373 31.700 0.142 0.000 0.779 707 T N -5.432 109.172 114.554 0.084 0.000 3.155 707 T HA -0.070 4.320 4.350 0.067 0.000 0.264 707 T C 1.814 176.508 174.700 -0.010 0.000 1.160 707 T CA 1.346 63.464 62.100 0.029 0.000 1.075 707 T CB -1.011 67.864 68.868 0.011 0.000 0.921 707 T HN 0.201 nan 8.240 nan 0.000 0.533 708 Q N -0.040 119.693 119.800 -0.112 0.000 2.396 708 Q HA 0.461 4.842 4.340 0.067 0.000 0.209 708 Q C 0.544 176.385 176.000 -0.266 0.000 0.906 708 Q CA -0.040 55.595 55.803 -0.279 0.000 0.927 708 Q CB -0.311 28.101 28.738 -0.543 0.000 1.069 708 Q HN 0.768 nan 8.270 nan 0.000 0.523 709 F N -1.068 118.954 119.950 0.120 0.000 2.422 709 F HA 0.645 5.212 4.527 0.067 0.000 0.333 709 F C -0.223 175.715 175.800 0.231 0.000 1.095 709 F CA -1.393 56.697 58.000 0.149 0.000 1.038 709 F CB 1.290 40.326 39.000 0.059 0.000 1.156 709 F HN 0.231 nan 8.300 nan 0.000 0.483 710 W N 1.689 123.093 121.300 0.173 0.000 2.655 710 W HA 0.731 5.432 4.660 0.068 0.000 0.358 710 W C -0.549 176.030 176.519 0.100 0.000 1.100 710 W CA -1.065 56.346 57.345 0.111 0.000 1.195 710 W CB 0.970 30.479 29.460 0.082 0.000 1.403 710 W HN 0.426 nan 8.180 nan 0.000 0.589 711 V N 2.452 122.532 119.914 0.278 0.000 2.495 711 V HA 0.767 4.928 4.120 0.067 0.000 0.298 711 V C -0.696 175.509 176.094 0.185 0.000 1.031 711 V CA -0.824 61.580 62.300 0.173 0.000 0.871 711 V CB 1.203 33.078 31.823 0.087 0.000 0.988 711 V HN 0.641 nan 8.190 nan 0.000 0.432 712 N N 3.298 122.086 118.700 0.146 0.000 3.046 712 N HA 0.734 5.514 4.740 0.067 0.000 0.243 712 N C -3.468 172.093 175.510 0.085 0.000 1.452 712 N CA -1.526 51.599 53.050 0.125 0.000 0.882 712 N CB 1.943 40.514 38.487 0.140 0.000 1.425 712 N HN 0.327 nan 8.380 nan 0.000 0.517 713 P HA 0.194 nan 4.420 nan 0.000 0.273 713 P C -0.055 177.274 177.300 0.049 0.000 1.250 713 P CA -0.166 62.963 63.100 0.047 0.000 0.793 713 P CB 0.519 32.238 31.700 0.032 0.000 1.011 714 D N -0.937 119.498 120.400 0.058 0.000 2.123 714 D HA -0.089 4.591 4.640 0.067 0.000 0.196 714 D C 0.777 177.159 176.300 0.137 0.000 0.992 714 D CA 1.334 55.398 54.000 0.106 0.000 0.833 714 D CB -0.030 40.835 40.800 0.108 0.000 0.954 714 D HN 0.274 nan 8.370 nan 0.000 0.455 715 C N -2.507 116.806 119.300 0.021 0.000 3.251 715 C HA 0.633 5.133 4.460 0.067 0.000 0.376 715 C C 0.176 175.074 174.990 -0.154 0.000 1.791 715 C CA -0.360 58.627 59.018 -0.053 0.000 1.163 715 C CB 0.971 28.766 27.740 0.091 0.000 2.128 715 C HN 0.319 nan 8.230 nan 0.000 0.429 716 G N 0.967 109.658 108.800 -0.181 0.000 2.647 716 G HA2 0.371 4.371 3.960 0.067 0.000 0.234 716 G HA3 0.371 4.371 3.960 0.067 0.000 0.234 716 G C -0.134 174.673 174.900 -0.156 0.000 1.252 716 G CA -0.000 44.979 45.100 -0.201 0.000 0.846 716 G HN 0.613 nan 8.290 nan 0.000 0.589 717 L N 1.271 122.405 121.223 -0.149 0.000 2.857 717 L HA 0.269 4.649 4.340 0.067 0.000 0.249 717 L C 2.750 179.583 176.870 -0.062 0.000 1.172 717 L CA 0.596 55.397 54.840 -0.066 0.000 0.980 717 L CB -0.452 41.637 42.059 0.050 0.000 1.299 717 L HN 0.779 nan 8.230 nan 0.000 0.535 718 K N -0.620 119.720 120.400 -0.100 0.000 2.209 718 K HA -0.033 4.327 4.320 0.067 0.000 0.204 718 K C 1.858 178.457 176.600 -0.002 0.000 1.048 718 K CA 1.871 58.120 56.287 -0.063 0.000 0.940 718 K CB -1.477 30.978 32.500 -0.076 0.000 0.729 718 K HN 0.495 nan 8.250 nan 0.000 0.451 719 T N 0.535 115.084 114.554 -0.009 0.000 2.985 719 T HA 0.049 4.439 4.350 0.067 0.000 0.266 719 T C 1.543 176.260 174.700 0.029 0.000 1.076 719 T CA 0.125 62.238 62.100 0.021 0.000 1.135 719 T CB -0.062 68.814 68.868 0.013 0.000 0.890 719 T HN 0.288 nan 8.240 nan 0.000 0.480 720 R N 1.288 121.800 120.500 0.019 0.000 2.546 720 R HA 0.398 4.779 4.340 0.067 0.000 0.266 720 R C -0.020 176.323 176.300 0.072 0.000 1.086 720 R CA -0.500 55.624 56.100 0.040 0.000 1.160 720 R CB 0.489 30.809 30.300 0.034 0.000 1.138 720 R HN 0.368 nan 8.270 nan 0.000 0.567 721 Q N 1.119 120.966 119.800 0.079 0.000 2.256 721 Q HA 0.036 4.416 4.340 0.067 0.000 0.232 721 Q C 0.992 177.073 176.000 0.135 0.000 0.965 721 Q CA 0.013 55.875 55.803 0.099 0.000 0.908 721 Q CB 1.216 29.999 28.738 0.076 0.000 1.209 721 Q HN 0.646 nan 8.270 nan 0.000 0.489 722 E N 1.331 121.631 120.200 0.167 0.000 2.047 722 E HA -0.127 4.263 4.350 0.067 0.000 0.191 722 E C -1.005 175.667 176.600 0.120 0.000 0.987 722 E CA 0.881 57.417 56.400 0.227 0.000 0.799 722 E CB -0.423 29.417 29.700 0.234 0.000 0.752 722 E HN 0.367 nan 8.360 nan 0.000 0.449 723 P HA -0.216 nan 4.420 nan 0.000 0.213 723 P C 0.906 178.226 177.300 0.033 0.000 1.170 723 P CA 2.127 65.242 63.100 0.025 0.000 0.898 723 P CB -0.254 31.457 31.700 0.019 0.000 0.787 724 E N -1.121 119.106 120.200 0.045 0.000 2.160 724 E HA -0.172 4.218 4.350 0.067 0.000 0.195 724 E C 1.676 178.310 176.600 0.057 0.000 0.991 724 E CA 1.569 57.995 56.400 0.044 0.000 0.810 724 E CB -1.562 28.165 29.700 0.044 0.000 0.742 724 E HN 0.141 nan 8.360 nan 0.000 0.466 725 T N 1.435 116.041 114.554 0.087 0.000 2.701 725 T HA -0.085 4.305 4.350 0.067 0.000 0.263 725 T C 1.846 176.605 174.700 0.098 0.000 1.040 725 T CA 1.224 63.395 62.100 0.118 0.000 1.147 725 T CB -0.097 68.890 68.868 0.199 0.000 0.865 725 T HN 0.130 nan 8.240 nan 0.000 0.426 726 I N 1.773 122.383 120.570 0.067 0.000 2.163 726 I HA -0.161 4.049 4.170 0.067 0.000 0.243 726 I C 2.930 179.049 176.117 0.004 0.000 1.085 726 I CA 1.411 62.712 61.300 0.000 0.000 1.347 726 I CB -1.664 36.291 38.000 -0.075 0.000 1.044 726 I HN 0.188 nan 8.210 nan 0.000 0.408 727 A N 1.017 123.842 122.820 0.008 0.000 1.877 727 A HA -0.117 4.243 4.320 0.067 0.000 0.216 727 A C 2.601 180.197 177.584 0.020 0.000 1.186 727 A CA 2.133 54.174 52.037 0.007 0.000 0.620 727 A CB -0.878 18.127 19.000 0.008 0.000 0.822 727 A HN 0.426 nan 8.150 nan 0.000 0.443 728 A N -0.393 122.447 122.820 0.033 0.000 1.940 728 A HA -0.078 4.282 4.320 0.067 0.000 0.219 728 A C 2.174 179.785 177.584 0.045 0.000 1.176 728 A CA 1.591 53.652 52.037 0.040 0.000 0.631 728 A CB -0.567 18.462 19.000 0.048 0.000 0.814 728 A HN 0.485 nan 8.150 nan 0.000 0.446 729 L N -0.836 120.419 121.223 0.053 0.000 2.109 729 L HA -0.035 4.346 4.340 0.067 0.000 0.207 729 L C 2.156 179.049 176.870 0.039 0.000 1.086 729 L CA 0.925 55.801 54.840 0.060 0.000 0.760 729 L CB -0.821 41.286 42.059 0.081 0.000 0.910 729 L HN 0.515 nan 8.230 nan 0.000 0.437 733 V N 1.083 121.011 119.914 0.024 0.000 2.488 733 V HA 0.092 4.252 4.120 0.067 0.000 0.246 733 V C 3.055 179.154 176.094 0.008 0.000 1.046 733 V CA 2.323 64.635 62.300 0.019 0.000 1.053 733 V CB -0.116 31.718 31.823 0.019 0.000 0.679 733 V HN 1.053 nan 8.190 nan 0.000 0.458 734 A N 0.225 123.049 122.820 0.006 0.000 1.898 734 A HA -0.094 4.267 4.320 0.067 0.000 0.216 734 A C 2.431 180.015 177.584 0.000 0.000 1.181 734 A CA 1.931 53.969 52.037 0.001 0.000 0.620 734 A CB -0.762 18.238 19.000 -0.000 0.000 0.819 734 A HN 0.539 nan 8.150 nan 0.000 0.442 735 A N -0.936 121.886 122.820 0.004 0.000 1.940 735 A HA -0.104 4.256 4.320 0.067 0.000 0.219 735 A C 2.299 179.882 177.584 -0.001 0.000 1.176 735 A CA 2.366 54.404 52.037 0.002 0.000 0.631 735 A CB -1.235 17.769 19.000 0.006 0.000 0.814 735 A HN 0.439 nan 8.150 nan 0.000 0.446 736 T N -0.028 114.527 114.554 0.002 0.000 2.737 736 T HA -0.111 4.279 4.350 0.067 0.000 0.265 736 T C 1.896 176.590 174.700 -0.009 0.000 1.038 736 T CA 1.649 63.748 62.100 -0.002 0.000 1.144 736 T CB -0.202 68.668 68.868 0.003 0.000 0.866 736 T HN 0.552 nan 8.240 nan 0.000 0.434 737 K N 0.846 121.241 120.400 -0.008 0.000 2.147 737 K HA -0.132 4.228 4.320 0.067 0.000 0.205 737 K C 2.370 178.964 176.600 -0.011 0.000 1.049 737 K CA 1.183 57.463 56.287 -0.012 0.000 0.936 737 K CB -0.074 32.419 32.500 -0.010 0.000 0.722 737 K HN 0.494 nan 8.250 nan 0.000 0.446 738 E N 1.014 121.209 120.200 -0.009 0.000 2.028 738 E HA -0.179 4.211 4.350 0.067 0.000 0.191 738 E C 1.977 178.571 176.600 -0.010 0.000 0.988 738 E CA 1.640 58.035 56.400 -0.009 0.000 0.799 738 E CB 0.050 29.745 29.700 -0.008 0.000 0.755 738 E HN 0.177 nan 8.360 nan 0.000 0.447 739 V N -0.451 119.456 119.914 -0.012 0.000 2.490 739 V HA -0.203 3.957 4.120 0.067 0.000 0.250 739 V C 2.238 178.325 176.094 -0.011 0.000 1.061 739 V CA 1.791 64.083 62.300 -0.013 0.000 1.064 739 V CB -0.756 31.055 31.823 -0.019 0.000 0.670 739 V HN 0.184 nan 8.190 nan 0.000 0.461 740 R N 0.465 120.958 120.500 -0.011 0.000 2.081 740 R HA -0.128 4.252 4.340 0.067 0.000 0.235 740 R C 2.809 179.103 176.300 -0.010 0.000 1.131 740 R CA 2.061 58.155 56.100 -0.011 0.000 0.960 740 R CB -0.919 29.370 30.300 -0.017 0.000 0.856 740 R HN 0.756 nan 8.270 nan 0.000 0.436 741 Q N 2.457 122.251 119.800 -0.010 0.000 2.014 741 Q HA -0.207 4.173 4.340 0.067 0.000 0.207 741 Q C 1.730 177.726 176.000 -0.007 0.000 0.993 741 Q CA 2.192 57.989 55.803 -0.009 0.000 0.850 741 Q CB -0.942 27.791 28.738 -0.009 0.000 0.916 741 Q HN 0.650 nan 8.270 nan 0.000 0.417 742 K N 0.828 121.224 120.400 -0.007 0.000 2.668 742 K HA 0.368 4.729 4.320 0.067 0.000 0.204 742 K C 0.048 176.646 176.600 -0.003 0.000 1.016 742 K CA 0.051 56.335 56.287 -0.005 0.000 1.131 742 K CB -1.043 31.454 32.500 -0.006 0.000 0.891 742 K HN 0.484 nan 8.250 nan 0.000 0.499 743 L N 0.000 121.221 121.223 -0.003 0.000 2.949 743 L HA 0.000 4.380 4.340 0.067 0.000 0.249 743 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 743 L CB 0.000 42.059 42.059 0.000 0.000 0.961 743 L HN 0.000 nan 8.230 nan 0.000 0.502