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 1uf2_1_R DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSS DATA SEQUENCE AGYVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.807 176.300 0.845 0.000 1.140 1 M CA 0.000 55.669 55.300 0.616 0.000 0.988 1 M CB 0.000 32.748 32.600 0.246 0.000 1.302 2 S N 1.845 117.838 115.700 0.488 0.000 2.631 2 S HA -0.096 4.374 4.470 -0.000 0.000 0.311 2 S C 1.234 176.074 174.600 0.401 0.000 1.254 2 S CA 0.930 59.337 58.200 0.344 0.000 1.039 2 S CB 0.411 63.715 63.200 0.174 0.000 0.753 2 S HN 0.618 nan 8.310 nan 0.000 0.494 3 R N 2.845 123.324 120.500 -0.034 0.000 2.096 3 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 3 R C 1.990 178.304 176.300 0.024 0.000 1.127 3 R CA 1.714 57.603 56.100 -0.351 0.000 0.968 3 R CB -0.706 28.954 30.300 -1.067 0.000 0.861 3 R HN 0.664 nan 8.270 nan 0.000 0.440 4 Q N 1.390 121.192 119.800 0.003 0.000 2.061 4 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 4 Q C 2.260 178.352 176.000 0.154 0.000 0.984 4 Q CA 2.262 58.099 55.803 0.056 0.000 0.846 4 Q CB -0.293 28.459 28.738 0.023 0.000 0.902 4 Q HN 0.461 nan 8.270 nan 0.000 0.421 5 M N -1.779 117.925 119.600 0.174 0.000 2.106 5 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 5 M C 1.719 178.134 176.300 0.193 0.000 1.068 5 M CA 1.743 57.128 55.300 0.142 0.000 1.100 5 M CB -0.525 32.139 32.600 0.107 0.000 1.351 5 M HN 0.272 nan 8.290 nan 0.000 0.404 6 W N 0.601 122.051 121.300 0.251 0.000 2.379 6 W HA -0.105 4.555 4.660 -0.000 0.000 0.307 6 W C 2.140 178.832 176.519 0.289 0.000 1.200 6 W CA 0.937 58.467 57.345 0.307 0.000 1.297 6 W CB -0.392 29.322 29.460 0.423 0.000 1.140 6 W HN 0.097 nan 8.180 nan 0.000 0.507 7 L N -0.290 121.214 121.223 0.467 0.000 2.042 7 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 7 L C 2.020 179.076 176.870 0.310 0.000 1.076 7 L CA 1.439 56.507 54.840 0.380 0.000 0.749 7 L CB -0.974 41.255 42.059 0.283 0.000 0.893 7 L HN -0.078 nan 8.230 nan 0.000 0.432 8 D N -0.354 120.173 120.400 0.212 0.000 2.092 8 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 8 D C 2.182 178.507 176.300 0.041 0.000 0.994 8 D CA 1.792 55.842 54.000 0.082 0.000 0.828 8 D CB -0.269 40.559 40.800 0.047 0.000 0.963 8 D HN 0.178 nan 8.370 nan 0.000 0.450 9 T N -0.404 114.208 114.554 0.097 0.000 2.746 9 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 9 T C 2.003 176.731 174.700 0.046 0.000 1.039 9 T CA 1.630 63.771 62.100 0.068 0.000 1.142 9 T CB -0.425 68.518 68.868 0.125 0.000 0.866 9 T HN 0.150 nan 8.240 nan 0.000 0.444 10 S N 1.655 117.499 115.700 0.239 0.000 2.365 10 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 10 S C 2.430 177.027 174.600 -0.005 0.000 1.039 10 S CA 1.618 59.914 58.200 0.160 0.000 1.033 10 S CB -0.660 62.775 63.200 0.392 0.000 0.887 10 S HN 0.506 nan 8.310 nan 0.000 0.447 11 A N 1.461 124.269 122.820 -0.020 0.000 1.948 11 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 11 A C 2.269 179.739 177.584 -0.190 0.000 1.177 11 A CA 1.849 53.755 52.037 -0.219 0.000 0.636 11 A CB -0.999 17.654 19.000 -0.578 0.000 0.815 11 A HN 0.661 nan 8.150 nan 0.000 0.449 12 L N -0.314 120.812 121.223 -0.162 0.000 2.005 12 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 12 L C 2.299 179.075 176.870 -0.156 0.000 1.072 12 L CA 1.739 56.481 54.840 -0.163 0.000 0.744 12 L CB -0.597 41.375 42.059 -0.146 0.000 0.895 12 L HN 0.393 nan 8.230 nan 0.000 0.433 13 L N -0.517 120.596 121.223 -0.184 0.000 2.081 13 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 13 L C 2.615 179.431 176.870 -0.090 0.000 1.080 13 L CA 1.611 56.341 54.840 -0.183 0.000 0.754 13 L CB -0.608 41.221 42.059 -0.384 0.000 0.893 13 L HN 0.443 nan 8.230 nan 0.000 0.433 14 E N -0.296 119.858 120.200 -0.076 0.000 2.150 14 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 14 E C 2.168 178.778 176.600 0.017 0.000 0.985 14 E CA 1.111 57.512 56.400 0.001 0.000 0.814 14 E CB 0.023 29.742 29.700 0.032 0.000 0.752 14 E HN 0.507 nan 8.360 nan 0.000 0.466 15 A N 0.636 123.441 122.820 -0.026 0.000 2.021 15 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 15 A C 2.022 179.620 177.584 0.022 0.000 1.163 15 A CA 0.261 52.310 52.037 0.021 0.000 0.676 15 A CB -0.222 18.748 19.000 -0.050 0.000 0.818 15 A HN 0.117 nan 8.150 nan 0.000 0.453 16 I N -0.381 120.141 120.570 -0.081 0.000 2.226 16 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 16 I C 2.885 178.980 176.117 -0.037 0.000 1.100 16 I CA 1.581 62.786 61.300 -0.157 0.000 1.374 16 I CB -0.212 37.680 38.000 -0.181 0.000 1.057 16 I HN 0.464 nan 8.210 nan 0.000 0.413 17 S N 0.532 116.258 115.700 0.044 0.000 2.353 17 S HA -0.305 4.165 4.470 -0.000 0.000 0.222 17 S C 2.060 176.705 174.600 0.074 0.000 1.035 17 S CA 2.064 60.321 58.200 0.095 0.000 1.025 17 S CB -0.381 62.881 63.200 0.102 0.000 0.902 17 S HN 0.490 nan 8.310 nan 0.000 0.440 18 E N -0.830 119.418 120.200 0.079 0.000 2.065 18 E HA -0.240 4.110 4.350 -0.000 0.000 0.201 18 E C 1.839 178.430 176.600 -0.015 0.000 1.016 18 E CA 1.910 58.336 56.400 0.044 0.000 0.818 18 E CB -0.399 29.345 29.700 0.074 0.000 0.749 18 E HN 0.760 nan 8.360 nan 0.000 0.453 19 Y N -0.175 120.078 120.300 -0.078 0.000 2.421 19 Y HA -0.118 4.432 4.550 -0.000 0.000 0.292 19 Y C 2.219 178.079 175.900 -0.067 0.000 1.136 19 Y CA 0.634 58.679 58.100 -0.091 0.000 1.255 19 Y CB -0.070 38.289 38.460 -0.169 0.000 0.991 19 Y HN -0.004 nan 8.280 nan 0.000 0.552 20 V N -1.173 118.776 119.914 0.060 0.000 2.453 20 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 20 V C 2.084 178.214 176.094 0.059 0.000 1.048 20 V CA 1.497 63.841 62.300 0.073 0.000 1.049 20 V CB -0.571 31.317 31.823 0.108 0.000 0.672 20 V HN 0.236 nan 8.190 nan 0.000 0.457 21 V N -0.171 119.760 119.914 0.027 0.000 2.427 21 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 21 V C 2.464 178.550 176.094 -0.015 0.000 1.051 21 V CA 1.701 64.005 62.300 0.007 0.000 1.048 21 V CB -0.894 30.923 31.823 -0.010 0.000 0.666 21 V HN 0.445 nan 8.190 nan 0.000 0.456 22 R N -0.582 119.882 120.500 -0.059 0.000 2.120 22 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 22 R C 2.138 178.434 176.300 -0.006 0.000 1.123 22 R CA 1.710 57.761 56.100 -0.083 0.000 0.975 22 R CB -0.521 29.642 30.300 -0.227 0.000 0.866 22 R HN 0.475 nan 8.270 nan 0.000 0.446 23 C N -0.057 119.267 119.300 0.040 0.000 2.634 23 C HA 0.067 4.527 4.460 -0.000 0.000 0.268 23 C C 1.115 176.131 174.990 0.043 0.000 1.322 23 C CA -0.821 58.250 59.018 0.088 0.000 1.737 23 C CB -1.321 26.536 27.740 0.196 0.000 1.976 23 C HN 0.478 nan 8.230 nan 0.000 0.547 24 N N 1.021 119.740 118.700 0.033 0.000 2.374 24 N HA 0.165 4.905 4.740 -0.000 0.000 0.269 24 N C 1.087 176.581 175.510 -0.027 0.000 1.310 24 N CA 0.898 53.953 53.050 0.009 0.000 0.877 24 N CB 0.113 38.610 38.487 0.018 0.000 1.096 24 N HN 0.592 nan 8.380 nan 0.000 0.484 25 G N 3.347 112.095 108.800 -0.086 0.000 2.249 25 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.273 25 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.273 25 G C -0.148 174.635 174.900 -0.195 0.000 1.036 25 G CA 0.241 45.252 45.100 -0.149 0.000 0.824 25 G HN 0.792 nan 8.290 nan 0.000 0.504 26 D N -0.220 120.046 120.400 -0.223 0.000 2.760 26 D HA 0.195 4.835 4.640 -0.000 0.000 0.314 26 D C 0.753 176.934 176.300 -0.199 0.000 1.464 26 D CA 0.696 54.663 54.000 -0.055 0.000 0.797 26 D CB 0.364 41.233 40.800 0.115 0.000 1.149 26 D HN 0.502 nan 8.370 nan 0.000 0.455 27 T N -1.181 113.019 114.554 -0.591 0.000 3.250 27 T HA 0.473 4.823 4.350 -0.000 0.000 0.391 27 T C 0.019 174.389 174.700 -0.550 0.000 1.502 27 T CA -0.644 61.201 62.100 -0.426 0.000 1.320 27 T CB -0.530 68.132 68.868 -0.344 0.000 1.102 27 T HN -0.238 nan 8.240 nan 0.000 0.610 28 F N 1.382 121.288 119.950 -0.072 0.000 2.370 28 F HA 0.442 4.969 4.527 -0.000 0.000 0.319 28 F C 2.150 177.911 175.800 -0.066 0.000 1.129 28 F CA -1.060 56.907 58.000 -0.055 0.000 1.109 28 F CB 0.878 39.859 39.000 -0.032 0.000 1.262 28 F HN 0.496 nan 8.300 nan 0.000 0.534 29 S N 0.143 115.914 115.700 0.118 0.000 2.383 29 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 29 S C 1.963 176.589 174.600 0.043 0.000 1.030 29 S CA 1.125 59.352 58.200 0.044 0.000 1.002 29 S CB -1.166 62.056 63.200 0.037 0.000 0.829 29 S HN 0.845 nan 8.310 nan 0.000 0.467 30 G N 1.313 110.154 108.800 0.068 0.000 2.494 30 G HA2 0.373 4.333 3.960 -0.000 0.000 0.216 30 G HA3 0.373 4.333 3.960 -0.000 0.000 0.216 30 G C 0.432 175.358 174.900 0.043 0.000 1.140 30 G CA 0.442 45.567 45.100 0.041 0.000 0.801 30 G HN 0.553 nan 8.290 nan 0.000 0.536 31 L N -0.411 120.852 121.223 0.067 0.000 2.319 31 L HA 0.726 5.066 4.340 -0.000 0.000 0.267 31 L C -0.618 176.298 176.870 0.078 0.000 1.011 31 L CA -0.926 53.956 54.840 0.070 0.000 0.818 31 L CB 1.994 44.096 42.059 0.071 0.000 1.316 31 L HN -0.142 nan 8.230 nan 0.000 0.432 32 T N -2.140 112.473 114.554 0.098 0.000 2.934 32 T HA 0.459 4.809 4.350 -0.000 0.000 0.328 32 T C 0.029 174.831 174.700 0.170 0.000 1.068 32 T CA -0.653 61.534 62.100 0.145 0.000 1.018 32 T CB 0.549 69.535 68.868 0.197 0.000 1.009 32 T HN 0.848 nan 8.240 nan 0.000 0.471 33 T N 0.663 115.328 114.554 0.185 0.000 2.926 33 T HA 0.387 4.737 4.350 -0.000 0.000 0.307 33 T C 1.852 176.663 174.700 0.185 0.000 1.059 33 T CA -0.047 62.155 62.100 0.170 0.000 1.122 33 T CB 0.958 69.929 68.868 0.172 0.000 0.972 33 T HN 0.630 nan 8.240 nan 0.000 0.545 34 G N 1.938 110.820 108.800 0.135 0.000 2.505 34 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 34 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 34 G C 0.992 175.987 174.900 0.159 0.000 1.145 34 G CA 1.162 46.336 45.100 0.123 0.000 0.761 34 G HN 0.840 nan 8.290 nan 0.000 0.571 35 D N -0.189 120.322 120.400 0.185 0.000 2.106 35 D HA -0.154 4.486 4.640 -0.000 0.000 0.191 35 D C 1.926 178.383 176.300 0.262 0.000 0.997 35 D CA 1.025 55.174 54.000 0.247 0.000 0.834 35 D CB -0.427 40.459 40.800 0.143 0.000 0.956 35 D HN 0.303 nan 8.370 nan 0.000 0.448 36 F N 1.209 121.221 119.950 0.103 0.000 2.171 36 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 36 F C 1.928 177.750 175.800 0.037 0.000 1.090 36 F CA 1.017 59.059 58.000 0.070 0.000 1.293 36 F CB -0.147 38.901 39.000 0.079 0.000 1.013 36 F HN -0.129 nan 8.300 nan 0.000 0.486 37 N N 0.716 119.469 118.700 0.089 0.000 2.069 37 N HA -0.202 4.538 4.740 -0.000 0.000 0.191 37 N C 2.043 177.448 175.510 -0.176 0.000 1.031 37 N CA 1.642 54.678 53.050 -0.023 0.000 0.852 37 N CB -0.664 37.857 38.487 0.056 0.000 1.018 37 N HN 0.411 nan 8.380 nan 0.000 0.423 38 A N 1.118 123.848 122.820 -0.150 0.000 1.902 38 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 38 A C 2.250 179.557 177.584 -0.463 0.000 1.181 38 A CA 0.961 52.817 52.037 -0.302 0.000 0.623 38 A CB -0.732 18.053 19.000 -0.359 0.000 0.818 38 A HN 0.276 nan 8.150 nan 0.000 0.443 39 L N -0.024 120.934 121.223 -0.442 0.000 2.012 39 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 39 L C 2.564 178.995 176.870 -0.732 0.000 1.073 39 L CA 2.712 57.177 54.840 -0.625 0.000 0.748 39 L CB -0.966 40.779 42.059 -0.522 0.000 0.891 39 L HN 0.344 nan 8.230 nan 0.000 0.431 40 S N -0.676 114.609 115.700 -0.692 0.000 2.383 40 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 40 S C 1.945 176.371 174.600 -0.291 0.000 1.030 40 S CA 1.809 59.708 58.200 -0.502 0.000 1.002 40 S CB -0.594 62.258 63.200 -0.580 0.000 0.829 40 S HN 0.721 nan 8.310 nan 0.000 0.467 41 N N 0.124 118.646 118.700 -0.295 0.000 2.025 41 N HA -0.101 4.639 4.740 -0.000 0.000 0.194 41 N C 1.900 177.285 175.510 -0.209 0.000 1.044 41 N CA 2.180 55.102 53.050 -0.214 0.000 0.851 41 N CB -0.243 38.113 38.487 -0.217 0.000 1.036 41 N HN 0.430 nan 8.380 nan 0.000 0.422 42 M N -0.744 118.675 119.600 -0.300 0.000 2.080 42 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 42 M C 1.828 178.040 176.300 -0.147 0.000 1.068 42 M CA 1.478 56.617 55.300 -0.269 0.000 1.109 42 M CB -0.577 31.791 32.600 -0.386 0.000 1.342 42 M HN 0.197 nan 8.290 nan 0.000 0.405 43 F N 0.304 120.116 119.950 -0.230 0.000 2.087 43 F HA -0.319 4.208 4.527 -0.000 0.000 0.299 43 F C 2.519 178.214 175.800 -0.176 0.000 1.100 43 F CA 1.301 59.174 58.000 -0.212 0.000 1.226 43 F CB -0.573 38.266 39.000 -0.268 0.000 0.983 43 F HN 0.202 nan 8.300 nan 0.000 0.479 44 T N -1.115 113.452 114.554 0.021 0.000 2.821 44 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 44 T C 1.679 176.350 174.700 -0.048 0.000 1.046 44 T CA 0.955 63.037 62.100 -0.030 0.000 1.139 44 T CB -0.295 68.544 68.868 -0.049 0.000 0.871 44 T HN 0.316 nan 8.240 nan 0.000 0.454 45 Q N -0.088 119.672 119.800 -0.067 0.000 2.364 45 Q HA 0.066 4.406 4.340 -0.000 0.000 0.207 45 Q C 1.907 177.859 176.000 -0.079 0.000 0.970 45 Q CA 0.650 56.404 55.803 -0.082 0.000 0.888 45 Q CB -0.091 28.586 28.738 -0.101 0.000 0.951 45 Q HN 0.345 nan 8.270 nan 0.000 0.469 46 L N -0.822 120.373 121.223 -0.046 0.000 2.463 46 L HA 0.179 4.519 4.340 -0.000 0.000 0.219 46 L C 0.709 177.564 176.870 -0.024 0.000 1.088 46 L CA 0.397 55.226 54.840 -0.018 0.000 0.849 46 L CB 0.704 42.785 42.059 0.037 0.000 1.012 46 L HN -0.179 nan 8.230 nan 0.000 0.468 47 S N -1.332 114.348 115.700 -0.033 0.000 2.523 47 S HA 0.275 4.745 4.470 -0.000 0.000 0.275 47 S C 1.099 175.646 174.600 -0.087 0.000 1.281 47 S CA -0.420 57.754 58.200 -0.043 0.000 1.050 47 S CB 1.046 64.220 63.200 -0.043 0.000 0.937 47 S HN 0.111 nan 8.310 nan 0.000 0.492 48 V N 4.763 124.619 119.914 -0.097 0.000 2.261 48 V HA -0.025 4.095 4.120 -0.000 0.000 0.235 48 V C 2.543 178.598 176.094 -0.065 0.000 1.044 48 V CA 1.681 63.912 62.300 -0.116 0.000 1.007 48 V CB -1.214 30.542 31.823 -0.112 0.000 0.647 48 V HN 0.901 nan 8.190 nan 0.000 0.462 49 S N -0.533 115.145 115.700 -0.037 0.000 2.442 49 S HA -0.086 4.384 4.470 -0.000 0.000 0.236 49 S C 1.304 175.892 174.600 -0.020 0.000 1.007 49 S CA 1.038 59.225 58.200 -0.021 0.000 0.965 49 S CB -0.323 62.874 63.200 -0.005 0.000 0.773 49 S HN 0.471 nan 8.310 nan 0.000 0.504 50 S N 0.172 115.857 115.700 -0.026 0.000 2.545 50 S HA 0.660 5.130 4.470 -0.000 0.000 0.275 50 S C 0.858 175.448 174.600 -0.016 0.000 1.299 50 S CA -0.137 58.051 58.200 -0.019 0.000 1.048 50 S CB 1.219 64.402 63.200 -0.029 0.000 0.938 50 S HN 0.530 nan 8.310 nan 0.000 0.496 51 A N 5.173 127.992 122.820 -0.002 0.000 1.935 51 A HA 0.395 4.715 4.320 -0.000 0.000 0.211 51 A C 1.514 179.106 177.584 0.013 0.000 1.388 51 A CA 1.069 53.108 52.037 0.003 0.000 0.600 51 A CB -1.451 17.555 19.000 0.010 0.000 1.011 51 A HN 0.873 nan 8.150 nan 0.000 0.481 52 G N -2.164 106.660 108.800 0.040 0.000 2.992 52 G HA2 0.313 4.273 3.960 -0.000 0.000 0.195 52 G HA3 0.313 4.273 3.960 -0.000 0.000 0.195 52 G C 0.052 175.013 174.900 0.100 0.000 2.032 52 G CA 0.117 45.256 45.100 0.064 0.000 0.831 52 G HN 0.447 nan 8.290 nan 0.000 0.647 53 Y N 0.860 121.164 120.300 0.006 0.000 2.717 53 Y HA 0.262 4.812 4.550 -0.000 0.000 0.330 53 Y C 0.222 176.122 175.900 0.001 0.000 1.217 53 Y CA -0.096 58.017 58.100 0.021 0.000 1.506 53 Y CB 0.674 39.161 38.460 0.045 0.000 1.268 53 Y HN 0.041 nan 8.280 nan 0.000 0.561 54 V N 7.640 127.474 119.914 -0.133 0.000 2.356 54 V HA -0.011 4.109 4.120 -0.000 0.000 0.258 54 V C 0.890 176.944 176.094 -0.066 0.000 1.065 54 V CA 0.263 62.487 62.300 -0.126 0.000 0.935 54 V CB 0.303 31.960 31.823 -0.277 0.000 1.061 54 V HN 1.035 nan 8.190 nan 0.000 0.484 55 S N 2.755 118.520 115.700 0.108 0.000 2.359 55 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 55 S C 1.029 175.645 174.600 0.027 0.000 1.039 55 S CA 1.741 60.034 58.200 0.155 0.000 1.042 55 S CB -0.074 63.188 63.200 0.103 0.000 0.915 55 S HN 0.903 nan 8.310 nan 0.000 0.439 56 D N 0.594 120.957 120.400 -0.061 0.000 2.438 56 D HA 0.266 4.906 4.640 -0.000 0.000 0.257 56 D C -1.957 174.203 176.300 -0.233 0.000 1.148 56 D CA -2.381 51.554 54.000 -0.108 0.000 0.902 56 D CB 1.292 42.055 40.800 -0.060 0.000 1.062 56 D HN 0.038 nan 8.370 nan 0.000 0.518 57 P HA -0.135 nan 4.420 nan 0.000 0.226 57 P C 1.114 178.136 177.300 -0.464 0.000 1.146 57 P CA 0.504 63.156 63.100 -0.748 0.000 0.773 57 P CB 0.538 31.232 31.700 -1.678 0.000 0.772 58 R N -0.189 120.153 120.500 -0.264 0.000 2.073 58 R HA -0.062 4.278 4.340 -0.000 0.000 0.234 58 R C 2.411 178.635 176.300 -0.126 0.000 1.134 58 R CA 1.177 57.182 56.100 -0.159 0.000 0.952 58 R CB -1.296 28.966 30.300 -0.064 0.000 0.850 58 R HN 0.066 nan 8.270 nan 0.000 0.433 59 V N 2.244 122.095 119.914 -0.105 0.000 2.220 59 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 59 V C -0.650 175.419 176.094 -0.041 0.000 1.056 59 V CA 2.340 64.607 62.300 -0.055 0.000 1.016 59 V CB -1.295 30.500 31.823 -0.048 0.000 0.639 59 V HN 0.325 nan 8.190 nan 0.000 0.446 60 P HA -0.158 nan 4.420 nan 0.000 0.216 60 P C 1.959 179.256 177.300 -0.004 0.000 1.150 60 P CA 1.638 64.725 63.100 -0.021 0.000 0.837 60 P CB -0.016 31.647 31.700 -0.061 0.000 0.786 61 L N -0.497 120.656 121.223 -0.116 0.000 2.056 61 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 61 L C 3.206 180.068 176.870 -0.013 0.000 1.078 61 L CA 1.556 56.284 54.840 -0.186 0.000 0.749 61 L CB -0.862 40.842 42.059 -0.591 0.000 0.901 61 L HN 0.035 nan 8.230 nan 0.000 0.433 62 Q N -0.379 119.440 119.800 0.031 0.000 2.020 62 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 62 Q C 2.023 178.123 176.000 0.166 0.000 0.982 62 Q CA 2.459 58.351 55.803 0.150 0.000 0.838 62 Q CB -0.098 28.701 28.738 0.101 0.000 0.899 62 Q HN 0.347 nan 8.270 nan 0.000 0.423 63 T N 1.651 116.280 114.554 0.125 0.000 2.685 63 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 63 T C 1.653 176.456 174.700 0.171 0.000 1.034 63 T CA 1.718 63.912 62.100 0.157 0.000 1.149 63 T CB -0.298 68.663 68.868 0.154 0.000 0.860 63 T HN 0.388 nan 8.240 nan 0.000 0.449 64 M N 0.793 120.450 119.600 0.096 0.000 2.067 64 M HA -0.119 4.361 4.480 -0.000 0.000 0.260 64 M C 2.429 178.802 176.300 0.122 0.000 1.069 64 M CA 1.640 56.854 55.300 -0.144 0.000 1.117 64 M CB -0.425 31.998 32.600 -0.295 0.000 1.334 64 M HN 0.158 nan 8.290 nan 0.000 0.407 65 S N 1.404 117.251 115.700 0.244 0.000 2.359 65 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 65 S C 1.485 176.335 174.600 0.415 0.000 1.035 65 S CA 1.613 60.035 58.200 0.370 0.000 1.018 65 S CB -0.581 62.871 63.200 0.420 0.000 0.876 65 S HN 0.544 nan 8.310 nan 0.000 0.448 66 N N 1.386 120.332 118.700 0.410 0.000 2.036 66 N HA -0.070 4.670 4.740 -0.000 0.000 0.195 66 N C 1.692 177.389 175.510 0.311 0.000 1.037 66 N CA 1.308 54.622 53.050 0.440 0.000 0.855 66 N CB -0.458 38.225 38.487 0.326 0.000 1.033 66 N HN 0.401 nan 8.380 nan 0.000 0.423 67 M N -0.467 119.306 119.600 0.288 0.000 2.159 67 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 67 M C 1.956 178.324 176.300 0.115 0.000 1.063 67 M CA 1.110 56.577 55.300 0.278 0.000 1.110 67 M CB -0.307 32.554 32.600 0.436 0.000 1.374 67 M HN 0.054 nan 8.290 nan 0.000 0.411 68 F N 0.715 120.641 119.950 -0.040 0.000 2.095 68 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 68 F C 1.992 177.676 175.800 -0.193 0.000 1.104 68 F CA 1.579 59.328 58.000 -0.419 0.000 1.232 68 F CB -0.559 38.406 39.000 -0.058 0.000 0.987 68 F HN -0.192 nan 8.300 nan 0.000 0.475 69 V N -0.523 119.265 119.914 -0.210 0.000 2.332 69 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 69 V C 2.700 178.663 176.094 -0.218 0.000 1.055 69 V CA 2.078 64.190 62.300 -0.313 0.000 1.038 69 V CB -1.094 30.439 31.823 -0.484 0.000 0.651 69 V HN 0.536 nan 8.190 nan 0.000 0.450 70 S N -0.883 114.769 115.700 -0.079 0.000 2.383 70 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 70 S C 1.840 176.385 174.600 -0.092 0.000 1.030 70 S CA 2.099 60.285 58.200 -0.024 0.000 1.002 70 S CB -0.385 62.859 63.200 0.075 0.000 0.829 70 S HN 0.601 nan 8.310 nan 0.000 0.467 71 F N 1.417 121.154 119.950 -0.355 0.000 2.053 71 F HA 0.096 4.623 4.527 -0.000 0.000 0.292 71 F C 1.803 177.334 175.800 -0.448 0.000 1.125 71 F CA 1.252 59.017 58.000 -0.392 0.000 1.193 71 F CB -0.671 37.957 39.000 -0.619 0.000 0.996 71 F HN 0.206 nan 8.300 nan 0.000 0.470 72 I N 0.515 120.777 120.570 -0.512 0.000 2.953 72 I HA -0.214 3.956 4.170 -0.000 0.000 0.271 72 I C 1.887 177.671 176.117 -0.556 0.000 1.286 72 I CA 1.447 62.362 61.300 -0.641 0.000 1.449 72 I CB -0.907 36.581 38.000 -0.853 0.000 1.086 72 I HN 0.295 nan 8.210 nan 0.000 0.483 73 T N -1.624 112.658 114.554 -0.453 0.000 3.010 73 T HA 0.060 4.410 4.350 -0.000 0.000 0.252 73 T C 0.959 175.461 174.700 -0.330 0.000 1.047 73 T CA 0.638 62.515 62.100 -0.372 0.000 1.140 73 T CB 0.010 68.737 68.868 -0.235 0.000 0.885 73 T HN 0.302 nan 8.240 nan 0.000 0.464 74 S N 1.425 116.930 115.700 -0.326 0.000 2.411 74 S HA 0.157 4.627 4.470 -0.000 0.000 0.294 74 S C 1.284 175.695 174.600 -0.316 0.000 1.115 74 S CA -0.491 57.548 58.200 -0.267 0.000 1.071 74 S CB 0.566 63.647 63.200 -0.200 0.000 0.967 74 S HN 0.301 nan 8.310 nan 0.000 0.488 75 T N 4.219 118.619 114.554 -0.257 0.000 2.849 75 T HA -0.121 4.229 4.350 -0.000 0.000 0.270 75 T C 1.245 175.825 174.700 -0.200 0.000 1.066 75 T CA 1.362 63.318 62.100 -0.239 0.000 1.130 75 T CB -0.259 68.500 68.868 -0.181 0.000 0.864 75 T HN 0.622 nan 8.240 nan 0.000 0.481 76 D N 0.849 121.151 120.400 -0.164 0.000 2.123 76 D HA -0.052 4.588 4.640 -0.000 0.000 0.196 76 D C 2.375 178.603 176.300 -0.120 0.000 0.992 76 D CA 1.069 55.001 54.000 -0.114 0.000 0.833 76 D CB 0.001 40.751 40.800 -0.083 0.000 0.954 76 D HN 0.435 nan 8.370 nan 0.000 0.455 77 R N 0.105 120.484 120.500 -0.201 0.000 2.046 77 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 77 R C 2.590 178.690 176.300 -0.333 0.000 1.179 77 R CA 1.263 57.232 56.100 -0.219 0.000 0.952 77 R CB -0.718 29.422 30.300 -0.266 0.000 0.843 77 R HN 0.275 nan 8.270 nan 0.000 0.439 78 C N 0.722 119.518 119.300 -0.840 0.000 2.526 78 C HA 0.246 4.706 4.460 -0.000 0.000 0.286 78 C C 2.190 176.970 174.990 -0.351 0.000 1.416 78 C CA -0.660 57.864 59.018 -0.824 0.000 1.671 78 C CB -1.591 25.442 27.740 -1.178 0.000 1.650 78 C HN 0.550 nan 8.230 nan 0.000 0.590 79 G N 1.504 110.186 108.800 -0.197 0.000 2.459 79 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 79 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 79 G C 1.271 176.118 174.900 -0.087 0.000 1.183 79 G CA 1.283 46.303 45.100 -0.133 0.000 0.776 79 G HN 0.871 nan 8.290 nan 0.000 0.552 80 Y N 0.113 120.352 120.300 -0.103 0.000 2.283 80 Y HA -0.098 4.452 4.550 -0.000 0.000 0.285 80 Y C 2.501 178.329 175.900 -0.120 0.000 1.176 80 Y CA 1.689 59.763 58.100 -0.044 0.000 1.229 80 Y CB -0.297 38.187 38.460 0.041 0.000 0.975 80 Y HN 0.202 nan 8.280 nan 0.000 0.537 81 M N 0.296 119.258 119.600 -1.064 0.000 2.492 81 M HA 0.023 4.503 4.480 -0.000 0.000 0.262 81 M C 1.084 177.063 176.300 -0.534 0.000 1.090 81 M CA 0.920 55.366 55.300 -1.424 0.000 1.110 81 M CB 0.025 31.666 32.600 -1.598 0.000 1.407 81 M HN 0.333 nan 8.290 nan 0.000 0.470 82 L N -0.252 120.788 121.223 -0.305 0.000 2.653 82 L HA 0.169 4.509 4.340 -0.000 0.000 0.232 82 L C 0.240 177.033 176.870 -0.129 0.000 1.169 82 L CA -0.125 54.609 54.840 -0.178 0.000 0.951 82 L CB -0.453 41.478 42.059 -0.214 0.000 1.181 82 L HN 0.146 nan 8.230 nan 0.000 0.460 83 R N 0.532 121.030 120.500 -0.003 0.000 2.540 83 R HA 0.179 4.519 4.340 -0.000 0.000 0.287 83 R C 1.155 177.488 176.300 0.056 0.000 0.980 83 R CA -0.527 55.551 56.100 -0.036 0.000 0.966 83 R CB 1.180 31.494 30.300 0.023 0.000 1.106 83 R HN 0.067 nan 8.270 nan 0.000 0.480 84 K N 0.079 120.330 120.400 -0.249 0.000 2.286 84 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 84 K C 0.938 177.648 176.600 0.184 0.000 1.045 84 K CA 1.716 57.907 56.287 -0.161 0.000 0.935 84 K CB -0.131 32.126 32.500 -0.405 0.000 0.737 84 K HN 0.384 nan 8.250 nan 0.000 0.460 85 T N 0.256 114.904 114.554 0.157 0.000 2.951 85 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 85 T C 1.066 175.909 174.700 0.238 0.000 1.073 85 T CA 1.073 63.280 62.100 0.179 0.000 1.134 85 T CB -0.220 68.740 68.868 0.153 0.000 0.884 85 T HN 0.535 nan 8.240 nan 0.000 0.479 86 W N 0.533 121.913 121.300 0.133 0.000 2.476 86 W HA 0.170 4.830 4.660 -0.000 0.000 0.281 86 W C 1.544 178.106 176.519 0.072 0.000 1.230 86 W CA -0.087 57.317 57.345 0.098 0.000 1.287 86 W CB -0.290 29.188 29.460 0.029 0.000 1.108 86 W HN 0.234 nan 8.180 nan 0.000 0.567 87 F N 1.849 121.803 119.950 0.007 0.000 2.473 87 F HA -0.032 4.495 4.527 -0.000 0.000 0.294 87 F C 2.317 178.024 175.800 -0.154 0.000 1.103 87 F CA 1.612 59.459 58.000 -0.255 0.000 1.442 87 F CB -0.474 38.431 39.000 -0.158 0.000 1.097 87 F HN -0.054 nan 8.300 nan 0.000 0.547 88 N N -0.511 118.273 118.700 0.140 0.000 2.405 88 N HA -0.001 4.739 4.740 -0.000 0.000 0.175 88 N C 0.206 175.687 175.510 -0.049 0.000 1.051 88 N CA 0.788 53.883 53.050 0.075 0.000 0.899 88 N CB 0.188 38.786 38.487 0.186 0.000 1.000 88 N HN 0.211 nan 8.380 nan 0.000 0.451 89 S N -0.733 114.922 115.700 -0.075 0.000 2.588 89 S HA 0.274 4.744 4.470 -0.000 0.000 0.275 89 S C -1.631 172.910 174.600 -0.099 0.000 1.130 89 S CA -0.733 57.424 58.200 -0.071 0.000 0.855 89 S CB 1.342 64.542 63.200 -0.000 0.000 1.116 89 S HN 0.079 nan 8.310 nan 0.000 0.472 90 D N 2.724 123.082 120.400 -0.071 0.000 3.057 90 D HA 0.177 4.817 4.640 -0.000 0.000 0.246 90 D C -0.534 175.774 176.300 0.014 0.000 1.238 90 D CA 0.233 54.205 54.000 -0.047 0.000 0.949 90 D CB 0.159 40.932 40.800 -0.045 0.000 1.086 90 D HN 0.346 nan 8.370 nan 0.000 0.487 91 T N 0.940 115.522 114.554 0.047 0.000 2.744 91 T HA 0.140 4.490 4.350 -0.000 0.000 0.291 91 T C 0.581 175.360 174.700 0.131 0.000 0.957 91 T CA -0.624 61.526 62.100 0.083 0.000 1.002 91 T CB 1.381 70.306 68.868 0.096 0.000 0.919 91 T HN -0.043 nan 8.240 nan 0.000 0.468 92 K N 4.749 125.214 120.400 0.109 0.000 2.419 92 K HA 0.177 4.497 4.320 -0.000 0.000 0.282 92 K C -2.337 174.346 176.600 0.138 0.000 1.056 92 K CA -1.052 55.309 56.287 0.124 0.000 1.035 92 K CB 0.003 32.550 32.500 0.079 0.000 0.921 92 K HN 0.320 nan 8.250 nan 0.000 0.472 93 P HA 0.048 nan 4.420 nan 0.000 0.279 93 P C -0.662 176.669 177.300 0.053 0.000 1.239 93 P CA -0.573 62.626 63.100 0.164 0.000 0.789 93 P CB 0.868 32.738 31.700 0.284 0.000 0.933 94 T N -0.489 114.090 114.554 0.041 0.000 3.414 94 T HA 0.446 4.796 4.350 -0.000 0.000 0.304 94 T C 0.048 174.731 174.700 -0.027 0.000 1.241 94 T CA -0.583 61.522 62.100 0.010 0.000 1.076 94 T CB -0.993 67.889 68.868 0.024 0.000 1.134 94 T HN 0.261 nan 8.240 nan 0.000 0.759 95 V N -0.465 119.399 119.914 -0.082 0.000 2.612 95 V HA 0.814 4.934 4.120 -0.000 0.000 0.301 95 V C -0.262 175.785 176.094 -0.079 0.000 1.059 95 V CA -1.126 61.102 62.300 -0.120 0.000 0.886 95 V CB 1.559 33.187 31.823 -0.325 0.000 1.007 95 V HN 0.728 nan 8.190 nan 0.000 0.426 96 S N 2.367 118.051 115.700 -0.026 0.000 2.448 96 S HA 0.712 5.182 4.470 -0.000 0.000 0.320 96 S C -0.745 173.879 174.600 0.040 0.000 1.071 96 S CA -0.381 57.820 58.200 0.002 0.000 1.113 96 S CB 1.217 64.420 63.200 0.006 0.000 0.972 96 S HN 1.028 nan 8.310 nan 0.000 0.465 97 D N 2.147 122.590 120.400 0.073 0.000 2.890 97 D HA 0.172 4.812 4.640 -0.000 0.000 0.233 97 D C -0.036 176.359 176.300 0.157 0.000 1.306 97 D CA -0.332 53.760 54.000 0.153 0.000 0.929 97 D CB 1.956 42.922 40.800 0.277 0.000 1.512 97 D HN 0.350 nan 8.370 nan 0.000 0.568 98 D N 2.370 122.862 120.400 0.153 0.000 2.242 98 D HA -0.241 4.399 4.640 -0.000 0.000 0.190 98 D C 1.536 177.939 176.300 0.172 0.000 1.012 98 D CA 1.283 55.367 54.000 0.139 0.000 0.875 98 D CB -0.213 40.682 40.800 0.158 0.000 0.922 98 D HN 0.483 nan 8.370 nan 0.000 0.448 99 F N 0.979 120.998 119.950 0.114 0.000 1.997 99 F HA -0.178 4.349 4.527 -0.000 0.000 0.296 99 F C 2.481 178.286 175.800 0.008 0.000 1.160 99 F CA 1.361 59.424 58.000 0.104 0.000 1.176 99 F CB -0.701 38.277 39.000 -0.037 0.000 0.964 99 F HN -0.102 nan 8.300 nan 0.000 0.484 100 I N -0.069 120.534 120.570 0.054 0.000 2.147 100 I HA -0.473 3.697 4.170 -0.000 0.000 0.245 100 I C 2.262 178.273 176.117 -0.176 0.000 1.059 100 I CA 2.135 63.363 61.300 -0.120 0.000 1.320 100 I CB -0.912 37.113 38.000 0.041 0.000 1.021 100 I HN 0.330 nan 8.210 nan 0.000 0.415 101 T N -0.217 114.280 114.554 -0.096 0.000 2.652 101 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 101 T C 1.845 176.431 174.700 -0.191 0.000 1.039 101 T CA 2.179 64.213 62.100 -0.110 0.000 1.153 101 T CB -0.354 68.478 68.868 -0.061 0.000 0.863 101 T HN 0.419 nan 8.240 nan 0.000 0.428 102 T N 0.474 114.880 114.554 -0.247 0.000 2.770 102 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 102 T C 1.554 175.859 174.700 -0.657 0.000 1.039 102 T CA 1.216 63.048 62.100 -0.447 0.000 1.142 102 T CB -0.309 68.253 68.868 -0.509 0.000 0.868 102 T HN 0.482 nan 8.240 nan 0.000 0.435 103 Y N 0.014 120.024 120.300 -0.483 0.000 2.500 103 Y HA 0.360 4.910 4.550 -0.000 0.000 0.284 103 Y C 0.783 176.412 175.900 -0.451 0.000 1.118 103 Y CA -0.530 57.273 58.100 -0.495 0.000 1.241 103 Y CB 0.378 38.425 38.460 -0.689 0.000 1.171 103 Y HN 0.047 nan 8.280 nan 0.000 0.540 104 I N 2.834 123.152 120.570 -0.421 0.000 2.294 104 I HA 0.258 4.428 4.170 -0.000 0.000 0.295 104 I C -0.210 175.767 176.117 -0.233 0.000 1.098 104 I CA 0.127 61.174 61.300 -0.421 0.000 1.277 104 I CB -0.485 37.078 38.000 -0.729 0.000 1.434 104 I HN 0.201 nan 8.210 nan 0.000 0.498 105 R N 5.739 126.148 120.500 -0.152 0.000 2.707 105 R HA 0.461 4.801 4.340 -0.000 0.000 0.272 105 R C -2.769 173.498 176.300 -0.056 0.000 1.011 105 R CA -1.717 54.327 56.100 -0.094 0.000 0.893 105 R CB 2.352 32.588 30.300 -0.107 0.000 1.233 105 R HN 0.178 nan 8.270 nan 0.000 0.464 106 P HA 0.073 nan 4.420 nan 0.000 0.262 106 P C -0.434 176.844 177.300 -0.036 0.000 1.199 106 P CA 0.270 63.359 63.100 -0.017 0.000 0.763 106 P CB 0.594 32.287 31.700 -0.011 0.000 0.790 107 R N 2.103 122.582 120.500 -0.036 0.000 2.521 107 R HA 0.279 4.619 4.340 -0.000 0.000 0.289 107 R C 0.171 176.431 176.300 -0.066 0.000 0.936 107 R CA -0.251 55.813 56.100 -0.060 0.000 1.089 107 R CB 0.386 30.641 30.300 -0.074 0.000 1.348 107 R HN 0.380 nan 8.270 nan 0.000 0.536 108 L N 1.710 122.905 121.223 -0.048 0.000 2.307 108 L HA 0.294 4.634 4.340 -0.000 0.000 0.282 108 L C 0.112 176.961 176.870 -0.034 0.000 1.051 108 L CA -0.526 54.284 54.840 -0.050 0.000 0.804 108 L CB 1.682 43.720 42.059 -0.035 0.000 1.197 108 L HN 0.028 nan 8.230 nan 0.000 0.431 109 Q N 2.887 122.663 119.800 -0.039 0.000 2.300 109 Q HA 0.167 4.507 4.340 -0.000 0.000 0.262 109 Q C -0.867 175.123 176.000 -0.017 0.000 1.109 109 Q CA -0.161 55.624 55.803 -0.030 0.000 0.905 109 Q CB 1.182 29.899 28.738 -0.035 0.000 1.280 109 Q HN 0.474 nan 8.270 nan 0.000 0.426 110 V N 6.396 126.303 119.914 -0.013 0.000 2.617 110 V HA 0.402 4.522 4.120 -0.000 0.000 0.298 110 V C -1.555 174.534 176.094 -0.008 0.000 1.048 110 V CA -1.390 60.906 62.300 -0.006 0.000 0.964 110 V CB 1.627 33.448 31.823 -0.003 0.000 1.004 110 V HN 0.917 nan 8.190 nan 0.000 0.466 111 P HA 0.050 nan 4.420 nan 0.000 0.261 111 P C 1.198 178.497 177.300 -0.002 0.000 1.268 111 P CA 0.069 63.167 63.100 -0.003 0.000 0.833 111 P CB 0.369 32.067 31.700 -0.004 0.000 1.231 112 M N 1.306 120.902 119.600 -0.005 0.000 2.089 112 M HA -0.172 4.308 4.480 -0.000 0.000 0.257 112 M C 2.000 178.299 176.300 -0.001 0.000 1.071 112 M CA 1.871 57.168 55.300 -0.006 0.000 1.096 112 M CB -1.265 31.329 32.600 -0.011 0.000 1.330 112 M HN -0.181 nan 8.290 nan 0.000 0.403 113 S N 0.344 116.044 115.700 0.001 0.000 2.369 113 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 113 S C 1.700 176.317 174.600 0.028 0.000 1.043 113 S CA 1.860 60.068 58.200 0.013 0.000 1.074 113 S CB -0.799 62.413 63.200 0.020 0.000 0.962 113 S HN 0.602 nan 8.310 nan 0.000 0.433 114 D N 0.495 120.910 120.400 0.025 0.000 2.104 114 D HA -0.110 4.530 4.640 -0.000 0.000 0.194 114 D C 2.423 178.726 176.300 0.006 0.000 0.994 114 D CA 1.932 55.944 54.000 0.019 0.000 0.830 114 D CB -0.496 40.309 40.800 0.008 0.000 0.959 114 D HN 0.586 nan 8.370 nan 0.000 0.452 115 T N -1.933 112.622 114.554 0.001 0.000 2.759 115 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 115 T C 2.109 176.804 174.700 -0.007 0.000 1.042 115 T CA 1.396 63.492 62.100 -0.006 0.000 1.140 115 T CB -0.805 68.059 68.868 -0.006 0.000 0.864 115 T HN -0.013 nan 8.240 nan 0.000 0.455 116 V N 1.893 121.807 119.914 -0.001 0.000 2.358 116 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 116 V C 2.999 179.093 176.094 -0.001 0.000 1.047 116 V CA 2.082 64.382 62.300 -0.000 0.000 1.035 116 V CB -0.827 31.000 31.823 0.006 0.000 0.658 116 V HN 0.537 nan 8.190 nan 0.000 0.452 117 R N -0.048 120.459 120.500 0.011 0.000 2.083 117 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 117 R C 2.349 178.632 176.300 -0.029 0.000 1.137 117 R CA 2.134 58.240 56.100 0.010 0.000 0.951 117 R CB -0.275 30.042 30.300 0.029 0.000 0.851 117 R HN 0.606 nan 8.270 nan 0.000 0.434 118 Q N 0.471 120.250 119.800 -0.035 0.000 2.020 118 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 118 Q C 2.356 178.305 176.000 -0.085 0.000 0.982 118 Q CA 1.602 57.368 55.803 -0.062 0.000 0.838 118 Q CB -0.230 28.484 28.738 -0.041 0.000 0.899 118 Q HN 0.405 nan 8.270 nan 0.000 0.423 119 L N 1.096 122.286 121.223 -0.056 0.000 2.270 119 L HA -0.257 4.083 4.340 -0.000 0.000 0.217 119 L C 2.055 178.882 176.870 -0.072 0.000 1.107 119 L CA 1.018 55.824 54.840 -0.056 0.000 0.772 119 L CB -0.287 41.753 42.059 -0.031 0.000 0.902 119 L HN 0.344 nan 8.230 nan 0.000 0.439 120 N N -0.005 118.653 118.700 -0.070 0.000 2.148 120 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 120 N C 1.504 176.943 175.510 -0.119 0.000 1.031 120 N CA 1.162 54.172 53.050 -0.067 0.000 0.848 120 N CB -0.023 38.445 38.487 -0.031 0.000 1.005 120 N HN 0.152 nan 8.380 nan 0.000 0.427 121 N N 0.347 118.937 118.700 -0.183 0.000 2.182 121 N HA -0.174 4.566 4.740 -0.000 0.000 0.192 121 N C 1.146 176.396 175.510 -0.433 0.000 1.007 121 N CA 0.764 53.622 53.050 -0.320 0.000 0.873 121 N CB -0.391 37.810 38.487 -0.477 0.000 0.998 121 N HN 0.279 nan 8.380 nan 0.000 0.436 122 L N 0.834 121.845 121.223 -0.354 0.000 2.554 122 L HA 0.058 4.398 4.340 -0.000 0.000 0.226 122 L C 0.771 177.586 176.870 -0.092 0.000 1.137 122 L CA 0.242 54.940 54.840 -0.237 0.000 0.863 122 L CB -0.440 41.520 42.059 -0.165 0.000 0.985 122 L HN 0.069 nan 8.230 nan 0.000 0.451 123 S N -1.807 113.848 115.700 -0.075 0.000 2.592 123 S HA 0.192 4.662 4.470 -0.000 0.000 0.271 123 S C 1.490 176.086 174.600 -0.006 0.000 1.326 123 S CA -0.658 57.525 58.200 -0.029 0.000 1.024 123 S CB 0.817 64.004 63.200 -0.022 0.000 0.921 123 S HN 0.156 nan 8.310 nan 0.000 0.527 124 L N 0.587 121.813 121.223 0.004 0.000 1.956 124 L HA -0.170 4.170 4.340 -0.000 0.000 0.216 124 L C 1.155 178.036 176.870 0.018 0.000 1.073 124 L CA 1.593 56.441 54.840 0.013 0.000 0.762 124 L CB -0.459 41.607 42.059 0.010 0.000 0.889 124 L HN 0.746 nan 8.230 nan 0.000 0.433 125 Q N -0.320 119.490 119.800 0.017 0.000 2.607 125 Q HA 0.320 4.660 4.340 -0.000 0.000 0.247 125 Q C -2.206 173.809 176.000 0.025 0.000 1.033 125 Q CA -1.577 54.239 55.803 0.022 0.000 0.769 125 Q CB 1.337 30.086 28.738 0.019 0.000 1.169 125 Q HN 0.171 nan 8.270 nan 0.000 0.508 126 P HA 0.058 nan 4.420 nan 0.000 0.275 126 P C -0.343 176.985 177.300 0.048 0.000 1.266 126 P CA -0.576 62.547 63.100 0.037 0.000 0.793 126 P CB 0.720 32.446 31.700 0.043 0.000 1.074 127 S N -0.592 115.142 115.700 0.057 0.000 2.531 127 S HA 0.306 4.776 4.470 -0.000 0.000 0.279 127 S C 1.272 175.920 174.600 0.079 0.000 1.305 127 S CA 0.015 58.254 58.200 0.065 0.000 1.058 127 S CB -0.083 63.163 63.200 0.076 0.000 0.899 127 S HN 0.452 nan 8.310 nan 0.000 0.493 128 A N 5.480 128.344 122.820 0.073 0.000 1.968 128 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 128 A C 0.830 178.477 177.584 0.105 0.000 1.169 128 A CA 0.985 53.072 52.037 0.082 0.000 0.638 128 A CB 0.021 19.061 19.000 0.066 0.000 0.812 128 A HN 0.650 nan 8.150 nan 0.000 0.446 129 K N 1.261 121.724 120.400 0.105 0.000 2.484 129 K HA 0.309 4.629 4.320 -0.000 0.000 0.226 129 K C -2.862 173.838 176.600 0.167 0.000 1.031 129 K CA -1.854 54.514 56.287 0.136 0.000 1.026 129 K CB 1.256 33.812 32.500 0.093 0.000 1.412 129 K HN 0.353 nan 8.250 nan 0.000 0.492 130 P HA 0.133 nan 4.420 nan 0.000 0.272 130 P C -0.205 177.260 177.300 0.275 0.000 1.240 130 P CA -0.346 62.874 63.100 0.200 0.000 0.791 130 P CB 1.273 33.077 31.700 0.174 0.000 0.978 131 K N 0.402 120.946 120.400 0.240 0.000 2.180 131 K HA 0.156 4.476 4.320 -0.000 0.000 0.251 131 K C 1.619 178.344 176.600 0.209 0.000 1.014 131 K CA -0.494 55.959 56.287 0.277 0.000 0.913 131 K CB 0.263 32.903 32.500 0.233 0.000 1.008 131 K HN 0.385 nan 8.250 nan 0.000 0.490 132 L N 0.956 122.249 121.223 0.116 0.000 2.093 132 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 132 L C 2.250 179.192 176.870 0.120 0.000 1.085 132 L CA 1.100 55.916 54.840 -0.042 0.000 0.755 132 L CB -0.435 41.505 42.059 -0.198 0.000 0.904 132 L HN 0.664 nan 8.230 nan 0.000 0.435 133 Y N 1.433 121.756 120.300 0.038 0.000 2.029 133 Y HA -0.438 4.112 4.550 -0.000 0.000 0.269 133 Y C 2.644 178.542 175.900 -0.004 0.000 1.201 133 Y CA 2.337 60.458 58.100 0.034 0.000 1.115 133 Y CB -0.536 37.945 38.460 0.034 0.000 0.945 133 Y HN 0.259 nan 8.280 nan 0.000 0.497 134 E N -0.237 119.936 120.200 -0.045 0.000 2.065 134 E HA -0.313 4.037 4.350 -0.000 0.000 0.201 134 E C 2.375 178.784 176.600 -0.319 0.000 1.016 134 E CA 2.013 58.293 56.400 -0.199 0.000 0.818 134 E CB -0.242 29.434 29.700 -0.040 0.000 0.749 134 E HN 0.526 nan 8.360 nan 0.000 0.453 135 R N -0.002 120.361 120.500 -0.229 0.000 2.091 135 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 135 R C 2.649 178.691 176.300 -0.430 0.000 1.136 135 R CA 1.881 57.730 56.100 -0.418 0.000 0.959 135 R CB -0.391 29.851 30.300 -0.096 0.000 0.856 135 R HN 0.413 nan 8.270 nan 0.000 0.437 136 Q N 0.442 120.172 119.800 -0.117 0.000 2.002 136 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 136 Q C 1.935 177.781 176.000 -0.258 0.000 0.988 136 Q CA 1.338 57.127 55.803 -0.024 0.000 0.843 136 Q CB -0.270 28.520 28.738 0.086 0.000 0.908 136 Q HN 0.370 nan 8.270 nan 0.000 0.420 137 N N 0.278 118.742 118.700 -0.394 0.000 2.205 137 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 137 N C 1.599 176.885 175.510 -0.373 0.000 1.015 137 N CA 1.233 54.039 53.050 -0.407 0.000 0.862 137 N CB -0.120 38.062 38.487 -0.508 0.000 0.986 137 N HN 0.255 nan 8.380 nan 0.000 0.429 138 A N 1.690 124.219 122.820 -0.484 0.000 1.825 138 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 138 A C 2.294 179.626 177.584 -0.420 0.000 1.206 138 A CA 0.805 52.522 52.037 -0.533 0.000 0.609 138 A CB -0.787 17.559 19.000 -1.089 0.000 0.851 138 A HN 0.157 nan 8.150 nan 0.000 0.445 139 I N -0.888 119.354 120.570 -0.547 0.000 2.248 139 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 139 I C 2.733 178.765 176.117 -0.141 0.000 1.107 139 I CA 2.079 63.138 61.300 -0.401 0.000 1.373 139 I CB -0.266 37.345 38.000 -0.649 0.000 1.055 139 I HN 0.501 nan 8.210 nan 0.000 0.418 140 M N 0.419 119.897 119.600 -0.203 0.000 2.257 140 M HA -0.084 4.396 4.480 -0.000 0.000 0.260 140 M C 1.948 178.038 176.300 -0.349 0.000 1.102 140 M CA 1.679 56.779 55.300 -0.333 0.000 1.169 140 M CB 0.129 32.445 32.600 -0.473 0.000 1.323 140 M HN -0.071 nan 8.290 nan 0.000 0.447 141 K N -0.094 120.134 120.400 -0.286 0.000 2.393 141 K HA 0.174 4.494 4.320 -0.000 0.000 0.193 141 K C 0.585 177.097 176.600 -0.147 0.000 1.026 141 K CA 0.572 56.727 56.287 -0.221 0.000 1.064 141 K CB 0.263 32.639 32.500 -0.207 0.000 0.833 141 K HN 0.658 nan 8.250 nan 0.000 0.521 142 G N 2.331 111.045 108.800 -0.144 0.000 2.272 142 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 142 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 142 G C -0.057 174.796 174.900 -0.077 0.000 1.067 142 G CA 0.007 45.054 45.100 -0.087 0.000 0.902 142 G HN 0.126 nan 8.290 nan 0.000 0.500 143 L N -0.481 120.669 121.223 -0.122 0.000 2.454 143 L HA 0.441 4.781 4.340 -0.000 0.000 0.256 143 L C 0.868 177.699 176.870 -0.065 0.000 1.136 143 L CA -0.959 53.824 54.840 -0.096 0.000 0.804 143 L CB 0.398 42.375 42.059 -0.137 0.000 1.181 143 L HN 0.092 nan 8.230 nan 0.000 0.469 144 D N 0.545 120.934 120.400 -0.018 0.000 2.344 144 D HA 0.330 4.970 4.640 -0.000 0.000 0.244 144 D C -0.499 175.812 176.300 0.017 0.000 1.134 144 D CA 0.051 54.077 54.000 0.044 0.000 0.930 144 D CB 1.934 42.800 40.800 0.109 0.000 1.175 144 D HN 0.232 nan 8.370 nan 0.000 0.437 145 I N 1.217 121.841 120.570 0.090 0.000 2.750 145 I HA 0.275 4.444 4.170 -0.000 0.000 0.308 145 I C -2.260 173.933 176.117 0.126 0.000 1.016 145 I CA -2.636 58.715 61.300 0.083 0.000 1.098 145 I CB 2.467 40.565 38.000 0.163 0.000 1.279 145 I HN 0.085 nan 8.210 nan 0.000 0.454 146 P HA -0.052 nan 4.420 nan 0.000 0.264 146 P C -0.188 177.231 177.300 0.199 0.000 1.193 146 P CA 0.212 63.339 63.100 0.046 0.000 0.763 146 P CB 0.295 32.010 31.700 0.024 0.000 0.810 147 Y N 1.060 121.380 120.300 0.033 0.000 2.241 147 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 147 Y C 2.300 178.217 175.900 0.027 0.000 1.166 147 Y CA 1.088 59.206 58.100 0.029 0.000 1.203 147 Y CB -1.490 36.982 38.460 0.019 0.000 0.977 147 Y HN 0.313 nan 8.280 nan 0.000 0.529 148 S N -0.602 115.205 115.700 0.179 0.000 2.597 148 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 148 S C 0.522 175.177 174.600 0.092 0.000 0.955 148 S CA -0.382 57.883 58.200 0.109 0.000 0.933 148 S CB -0.213 63.032 63.200 0.075 0.000 0.788 148 S HN 0.375 nan 8.310 nan 0.000 0.488 149 E N 3.501 123.766 120.200 0.109 0.000 2.324 149 E HA 0.118 4.468 4.350 -0.000 0.000 0.271 149 E C -2.404 174.259 176.600 0.106 0.000 1.028 149 E CA -1.816 54.648 56.400 0.106 0.000 0.890 149 E CB 0.703 30.477 29.700 0.123 0.000 1.004 149 E HN 0.122 nan 8.360 nan 0.000 0.431 150 P HA 0.299 nan 4.420 nan 0.000 0.282 150 P C -0.934 176.431 177.300 0.108 0.000 1.259 150 P CA -0.466 62.697 63.100 0.105 0.000 0.826 150 P CB 1.027 32.785 31.700 0.096 0.000 1.064 151 I N -3.216 117.418 120.570 0.107 0.000 3.102 151 I HA 0.468 4.638 4.170 -0.000 0.000 0.310 151 I C -0.722 175.421 176.117 0.044 0.000 1.246 151 I CA -1.261 60.078 61.300 0.066 0.000 0.979 151 I CB 1.375 39.373 38.000 -0.004 0.000 1.267 151 I HN 0.188 nan 8.210 nan 0.000 0.451 152 E N 4.079 124.282 120.200 0.006 0.000 2.152 152 E HA 0.253 4.603 4.350 -0.000 0.000 0.285 152 E C -1.942 174.607 176.600 -0.085 0.000 1.043 152 E CA -1.590 54.782 56.400 -0.047 0.000 0.839 152 E CB 0.925 30.619 29.700 -0.011 0.000 1.069 152 E HN 0.494 nan 8.360 nan 0.000 0.399 153 P HA -0.258 nan 4.420 nan 0.000 0.217 153 P C 1.525 178.837 177.300 0.019 0.000 1.148 153 P CA 1.215 64.271 63.100 -0.073 0.000 0.828 153 P CB -0.117 31.427 31.700 -0.259 0.000 0.783 154 C N -0.659 118.624 119.300 -0.028 0.000 2.409 154 C HA 0.009 4.469 4.460 -0.000 0.000 0.288 154 C C 2.414 177.410 174.990 0.010 0.000 1.395 154 C CA 0.319 59.332 59.018 -0.008 0.000 1.792 154 C CB -1.917 25.857 27.740 0.057 0.000 1.847 154 C HN 0.148 nan 8.230 nan 0.000 0.534 155 K N 0.259 120.672 120.400 0.023 0.000 2.116 155 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 155 K C 2.054 178.726 176.600 0.120 0.000 1.052 155 K CA 0.581 56.908 56.287 0.067 0.000 0.952 155 K CB -0.286 32.258 32.500 0.073 0.000 0.729 155 K HN 0.308 nan 8.250 nan 0.000 0.446 156 L N 1.032 122.272 121.223 0.028 0.000 2.261 156 L HA -0.050 4.290 4.340 -0.000 0.000 0.216 156 L C 0.664 177.634 176.870 0.167 0.000 1.114 156 L CA 1.006 55.910 54.840 0.106 0.000 0.777 156 L CB -0.872 41.282 42.059 0.160 0.000 0.910 156 L HN 0.069 nan 8.230 nan 0.000 0.440 157 F N 0.868 120.639 119.950 -0.298 0.000 2.607 157 F HA 0.167 4.694 4.527 -0.000 0.000 0.374 157 F C 0.779 176.331 175.800 -0.412 0.000 1.104 157 F CA 0.209 57.718 58.000 -0.818 0.000 1.296 157 F CB 0.287 38.756 39.000 -0.885 0.000 1.085 157 F HN -0.072 nan 8.300 nan 0.000 0.584 158 R N 2.075 121.730 120.500 -1.409 0.000 2.817 158 R HA 0.474 4.814 4.340 -0.000 0.000 0.268 158 R C -1.097 174.489 176.300 -1.190 0.000 1.027 158 R CA -0.963 54.646 56.100 -0.818 0.000 0.928 158 R CB 1.879 32.017 30.300 -0.270 0.000 1.228 158 R HN 0.577 nan 8.270 nan 0.000 0.469 159 S N -0.031 115.373 115.700 -0.494 0.000 2.562 159 S HA 0.629 5.099 4.470 -0.000 0.000 0.275 159 S C -0.643 173.902 174.600 -0.092 0.000 1.281 159 S CA -0.637 57.413 58.200 -0.249 0.000 1.045 159 S CB 1.092 64.264 63.200 -0.046 0.000 0.962 159 S HN 0.246 nan 8.310 nan 0.000 0.503 160 V N 1.722 121.644 119.914 0.014 0.000 3.102 160 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 160 V C 1.222 177.358 176.094 0.071 0.000 1.135 160 V CA -0.620 61.714 62.300 0.057 0.000 1.022 160 V CB 1.353 33.237 31.823 0.101 0.000 1.056 160 V HN 0.950 nan 8.190 nan 0.000 0.436 161 A N 2.162 125.012 122.820 0.049 0.000 1.887 161 A HA -0.259 4.061 4.320 -0.000 0.000 0.225 161 A C 2.207 179.831 177.584 0.066 0.000 1.464 161 A CA 3.258 55.322 52.037 0.046 0.000 0.717 161 A CB -1.618 17.401 19.000 0.031 0.000 0.848 161 A HN 1.501 nan 8.150 nan 0.000 0.477 162 G N -1.118 107.731 108.800 0.081 0.000 2.514 162 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 162 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 162 G C 0.882 175.859 174.900 0.128 0.000 1.198 162 G CA 1.093 46.253 45.100 0.100 0.000 0.780 162 G HN 0.729 nan 8.290 nan 0.000 0.565 163 Q N -0.195 119.714 119.800 0.181 0.000 2.293 163 Q HA 0.415 4.755 4.340 -0.000 0.000 0.261 163 Q C 0.524 176.650 176.000 0.211 0.000 0.960 163 Q CA 0.026 55.958 55.803 0.215 0.000 0.882 163 Q CB 1.686 30.618 28.738 0.323 0.000 1.275 163 Q HN 0.274 nan 8.270 nan 0.000 0.445 164 T N -1.615 113.039 114.554 0.166 0.000 3.144 164 T HA 0.406 4.756 4.350 -0.000 0.000 0.249 164 T C 0.550 175.371 174.700 0.202 0.000 1.089 164 T CA 0.109 62.294 62.100 0.141 0.000 0.989 164 T CB 0.234 69.154 68.868 0.086 0.000 0.992 164 T HN 0.651 nan 8.240 nan 0.000 0.540 165 G N 0.165 109.140 108.800 0.292 0.000 2.489 165 G HA2 0.409 4.369 3.960 -0.000 0.000 0.291 165 G HA3 0.409 4.369 3.960 -0.000 0.000 0.291 165 G C -0.291 174.623 174.900 0.023 0.000 1.487 165 G CA -0.449 44.818 45.100 0.279 0.000 0.795 165 G HN 0.062 nan 8.290 nan 0.000 0.513 166 N N -0.503 117.890 118.700 -0.512 0.000 2.418 166 N HA 0.071 4.811 4.740 -0.000 0.000 0.199 166 N C 2.105 177.536 175.510 -0.133 0.000 1.044 166 N CA 0.454 53.076 53.050 -0.713 0.000 0.943 166 N CB 0.011 37.580 38.487 -1.531 0.000 1.154 166 N HN 0.320 nan 8.380 nan 0.000 0.467 167 I N 1.739 122.222 120.570 -0.145 0.000 2.208 167 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 167 I C -0.718 175.403 176.117 0.006 0.000 1.097 167 I CA 1.384 62.638 61.300 -0.078 0.000 1.363 167 I CB -2.168 35.689 38.000 -0.237 0.000 1.051 167 I HN 0.212 nan 8.210 nan 0.000 0.413 168 P HA -0.165 nan 4.420 nan 0.000 0.216 168 P C 1.965 179.273 177.300 0.013 0.000 1.150 168 P CA 1.255 64.352 63.100 -0.005 0.000 0.843 168 P CB -0.106 31.595 31.700 0.001 0.000 0.787 169 M N -1.965 117.642 119.600 0.011 0.000 2.346 169 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 169 M C 2.067 178.342 176.300 -0.043 0.000 1.064 169 M CA 1.445 56.721 55.300 -0.040 0.000 1.083 169 M CB -1.331 31.207 32.600 -0.104 0.000 1.399 169 M HN 0.115 nan 8.290 nan 0.000 0.435 170 M N -0.091 119.581 119.600 0.119 0.000 2.073 170 M HA -0.172 4.308 4.480 -0.000 0.000 0.258 170 M C 2.035 178.374 176.300 0.065 0.000 1.070 170 M CA 2.280 57.717 55.300 0.227 0.000 1.103 170 M CB -0.652 32.117 32.600 0.281 0.000 1.321 170 M HN 0.300 nan 8.290 nan 0.000 0.405 171 G N 0.662 109.477 108.800 0.026 0.000 2.476 171 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 171 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 171 G C 1.418 176.304 174.900 -0.023 0.000 1.164 171 G CA 1.307 46.406 45.100 -0.002 0.000 0.768 171 G HN 0.544 nan 8.290 nan 0.000 0.560 172 I N -0.011 120.536 120.570 -0.038 0.000 2.179 172 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 172 I C 2.588 178.646 176.117 -0.098 0.000 1.088 172 I CA 0.598 61.863 61.300 -0.059 0.000 1.357 172 I CB -0.266 37.698 38.000 -0.059 0.000 1.051 172 I HN 0.075 nan 8.210 nan 0.000 0.409 173 L N 0.733 121.864 121.223 -0.154 0.000 2.263 173 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 173 L C 2.288 179.076 176.870 -0.137 0.000 1.111 173 L CA 1.683 56.381 54.840 -0.237 0.000 0.773 173 L CB -0.731 41.104 42.059 -0.372 0.000 0.906 173 L HN 0.221 nan 8.230 nan 0.000 0.439 174 A N -2.540 120.239 122.820 -0.069 0.000 2.275 174 A HA 0.168 4.488 4.320 -0.000 0.000 0.212 174 A C 0.893 178.457 177.584 -0.034 0.000 1.201 174 A CA 0.123 52.139 52.037 -0.036 0.000 0.843 174 A CB -0.361 18.634 19.000 -0.008 0.000 0.873 174 A HN 0.271 nan 8.150 nan 0.000 0.492 175 T N 2.825 117.353 114.554 -0.043 0.000 2.744 175 T HA 0.448 4.798 4.350 -0.000 0.000 0.291 175 T C -2.729 171.950 174.700 -0.034 0.000 0.957 175 T CA -1.108 60.973 62.100 -0.032 0.000 1.002 175 T CB 1.207 70.057 68.868 -0.029 0.000 0.919 175 T HN 0.038 nan 8.240 nan 0.000 0.468 176 P HA 0.103 nan 4.420 nan 0.000 0.264 176 P C -2.221 175.066 177.300 -0.022 0.000 1.179 176 P CA -0.756 62.331 63.100 -0.022 0.000 0.763 176 P CB -0.087 31.605 31.700 -0.014 0.000 0.806 177 P HA 0.240 nan 4.420 nan 0.000 0.283 177 P C -0.364 176.931 177.300 -0.009 0.000 1.271 177 P CA -0.441 62.648 63.100 -0.017 0.000 0.841 177 P CB 1.609 33.297 31.700 -0.020 0.000 1.122 178 A N 1.239 124.056 122.820 -0.005 0.000 1.887 178 A HA 0.484 4.804 4.320 -0.000 0.000 0.212 178 A C 1.124 178.709 177.584 0.003 0.000 1.198 178 A CA 1.518 53.555 52.037 -0.001 0.000 0.628 178 A CB -0.809 18.191 19.000 0.000 0.000 0.847 178 A HN 0.762 nan 8.150 nan 0.000 0.449 179 A N -1.479 121.344 122.820 0.004 0.000 2.552 179 A HA 0.595 4.915 4.320 -0.000 0.000 0.288 179 A C -0.510 177.080 177.584 0.009 0.000 1.193 179 A CA -0.403 51.640 52.037 0.009 0.000 0.713 179 A CB 0.225 19.232 19.000 0.011 0.000 1.305 179 A HN 0.289 nan 8.150 nan 0.000 0.424 180 Q N 0.645 120.454 119.800 0.015 0.000 2.244 180 Q HA 0.177 4.517 4.340 -0.000 0.000 0.278 180 Q C -0.177 175.833 176.000 0.016 0.000 1.093 180 Q CA 0.550 56.362 55.803 0.015 0.000 0.916 180 Q CB 0.189 28.943 28.738 0.028 0.000 1.159 180 Q HN 0.627 nan 8.270 nan 0.000 0.384 181 Q N 2.147 121.955 119.800 0.014 0.000 2.171 181 Q HA 0.216 4.556 4.340 -0.000 0.000 0.217 181 Q C -0.475 175.544 176.000 0.032 0.000 0.995 181 Q CA -0.592 55.226 55.803 0.025 0.000 0.979 181 Q CB 1.121 29.876 28.738 0.028 0.000 1.152 181 Q HN 0.630 nan 8.270 nan 0.000 0.525 182 Q N 1.297 121.124 119.800 0.045 0.000 2.443 182 Q HA 0.227 4.567 4.340 -0.000 0.000 0.232 182 Q C -2.050 174.000 176.000 0.085 0.000 1.026 182 Q CA -1.574 54.256 55.803 0.045 0.000 0.924 182 Q CB -0.036 28.733 28.738 0.051 0.000 1.256 182 Q HN 0.399 nan 8.270 nan 0.000 0.519 183 P HA 0.032 nan 4.420 nan 0.000 0.272 183 P C -1.214 176.239 177.300 0.254 0.000 1.223 183 P CA 0.123 63.288 63.100 0.108 0.000 0.784 183 P CB 0.314 32.009 31.700 -0.010 0.000 0.923 184 F N -0.413 119.671 119.950 0.222 0.000 2.563 184 F HA 0.729 5.256 4.527 -0.000 0.000 0.316 184 F C -1.608 174.393 175.800 0.334 0.000 1.076 184 F CA -1.552 56.572 58.000 0.207 0.000 0.921 184 F CB 1.516 40.543 39.000 0.044 0.000 1.209 184 F HN 0.086 nan 8.300 nan 0.000 0.462 185 F N 4.470 124.613 119.950 0.321 0.000 2.646 185 F HA 0.599 5.126 4.527 -0.000 0.000 0.364 185 F C -0.772 175.302 175.800 0.455 0.000 1.137 185 F CA -0.835 57.354 58.000 0.315 0.000 1.085 185 F CB 1.405 40.582 39.000 0.294 0.000 1.331 185 F HN 0.659 nan 8.300 nan 0.000 0.472 186 V N 1.393 121.485 119.914 0.297 0.000 3.177 186 V HA 1.029 5.149 4.120 -0.000 0.000 0.319 186 V C -0.615 175.657 176.094 0.297 0.000 1.125 186 V CA -0.891 61.533 62.300 0.207 0.000 1.029 186 V CB 1.476 33.116 31.823 -0.305 0.000 1.119 186 V HN 0.808 nan 8.190 nan 0.000 0.452 187 A N 0.694 123.707 122.820 0.321 0.000 2.455 187 A HA 0.792 5.112 4.320 -0.000 0.000 0.300 187 A C -0.547 177.123 177.584 0.142 0.000 1.040 187 A CA -0.682 51.494 52.037 0.231 0.000 0.697 187 A CB 1.591 20.741 19.000 0.251 0.000 1.265 187 A HN 0.948 nan 8.150 nan 0.000 0.407 188 E N 0.279 120.402 120.200 -0.129 0.000 3.232 188 E HA 0.411 4.761 4.350 -0.000 0.000 0.248 188 E C 0.759 177.184 176.600 -0.292 0.000 1.048 188 E CA -0.890 55.175 56.400 -0.558 0.000 1.204 188 E CB 0.769 29.973 29.700 -0.827 0.000 1.535 188 E HN 0.608 nan 8.360 nan 0.000 0.567 189 R N 0.342 120.654 120.500 -0.313 0.000 2.066 189 R HA 0.073 4.413 4.340 -0.000 0.000 0.224 189 R C 1.937 178.146 176.300 -0.150 0.000 1.122 189 R CA 0.893 56.913 56.100 -0.134 0.000 0.974 189 R CB 0.106 30.369 30.300 -0.061 0.000 0.871 189 R HN 0.198 nan 8.270 nan 0.000 0.435 190 R N 0.586 120.995 120.500 -0.150 0.000 2.509 190 R HA 0.099 4.439 4.340 -0.000 0.000 0.300 190 R C -0.589 175.689 176.300 -0.036 0.000 0.985 190 R CA -0.047 56.016 56.100 -0.062 0.000 1.092 190 R CB 0.404 30.713 30.300 0.015 0.000 1.237 190 R HN 0.081 nan 8.270 nan 0.000 0.546 191 R N -1.189 119.200 120.500 -0.184 0.000 2.728 191 R HA 0.367 4.707 4.340 -0.000 0.000 0.274 191 R C -1.459 174.745 176.300 -0.160 0.000 1.030 191 R CA -0.859 55.195 56.100 -0.078 0.000 0.876 191 R CB 0.822 31.147 30.300 0.041 0.000 1.259 191 R HN -0.086 nan 8.270 nan 0.000 0.468 192 I N 1.938 122.516 120.570 0.012 0.000 2.474 192 I HA 0.420 4.590 4.170 -0.000 0.000 0.294 192 I C -0.815 175.257 176.117 -0.076 0.000 1.005 192 I CA -1.164 60.144 61.300 0.013 0.000 1.113 192 I CB 1.945 40.040 38.000 0.158 0.000 1.289 192 I HN 0.370 nan 8.210 nan 0.000 0.436 193 L N 6.950 128.094 121.223 -0.132 0.000 2.362 193 L HA 0.624 4.964 4.340 -0.000 0.000 0.271 193 L C -1.108 175.525 176.870 -0.397 0.000 1.002 193 L CA -0.788 53.915 54.840 -0.227 0.000 0.818 193 L CB 1.775 43.821 42.059 -0.023 0.000 1.298 193 L HN 0.474 nan 8.230 nan 0.000 0.420 194 F N 0.400 119.958 119.950 -0.654 0.000 2.641 194 F HA 0.971 5.498 4.527 -0.000 0.000 0.308 194 F C -0.287 174.934 175.800 -0.965 0.000 1.105 194 F CA -0.593 56.825 58.000 -0.971 0.000 0.964 194 F CB 1.743 40.184 39.000 -0.931 0.000 1.294 194 F HN 0.583 nan 8.300 nan 0.000 0.442 195 G N 1.494 109.633 108.800 -1.101 0.000 2.341 195 G HA2 0.529 4.489 3.960 -0.000 0.000 0.299 195 G HA3 0.529 4.489 3.960 -0.000 0.000 0.299 195 G C -2.391 172.235 174.900 -0.456 0.000 1.274 195 G CA -0.826 43.854 45.100 -0.700 0.000 0.853 195 G HN 0.864 nan 8.290 nan 0.000 0.493 196 I N 0.738 120.919 120.570 -0.649 0.000 2.534 196 I HA 0.432 4.602 4.170 -0.000 0.000 0.288 196 I C -0.158 175.829 176.117 -0.217 0.000 1.077 196 I CA -0.816 60.291 61.300 -0.321 0.000 1.051 196 I CB 2.316 40.066 38.000 -0.416 0.000 1.234 196 I HN 0.337 nan 8.210 nan 0.000 0.425 197 R N 3.654 124.151 120.500 -0.004 0.000 2.486 197 R HA 0.789 5.129 4.340 -0.000 0.000 0.286 197 R C -0.501 175.783 176.300 -0.027 0.000 0.999 197 R CA -0.703 55.384 56.100 -0.021 0.000 0.993 197 R CB 2.034 32.321 30.300 -0.021 0.000 1.084 197 R HN 0.615 nan 8.270 nan 0.000 0.487 198 S N 0.106 115.792 115.700 -0.023 0.000 2.567 198 S HA 0.110 4.580 4.470 -0.000 0.000 0.270 198 S C -0.336 174.262 174.600 -0.002 0.000 1.152 198 S CA -0.861 57.334 58.200 -0.007 0.000 0.835 198 S CB 1.133 64.334 63.200 0.002 0.000 1.115 198 S HN 0.831 nan 8.310 nan 0.000 0.459 199 N N 1.656 120.358 118.700 0.003 0.000 2.353 199 N HA 0.288 5.028 4.740 -0.000 0.000 0.185 199 N C 0.035 175.550 175.510 0.009 0.000 1.098 199 N CA 0.373 53.425 53.050 0.003 0.000 0.872 199 N CB 0.322 38.811 38.487 0.003 0.000 0.970 199 N HN 0.697 nan 8.380 nan 0.000 0.467 200 A N 0.025 122.854 122.820 0.015 0.000 2.486 200 A HA 0.770 5.090 4.320 -0.000 0.000 0.300 200 A C -0.258 177.344 177.584 0.030 0.000 1.048 200 A CA -0.506 51.543 52.037 0.020 0.000 0.696 200 A CB 1.158 20.171 19.000 0.021 0.000 1.278 200 A HN 0.375 nan 8.150 nan 0.000 0.405 201 A N 1.119 123.958 122.820 0.032 0.000 2.632 201 A HA 0.309 4.629 4.320 -0.000 0.000 0.231 201 A C -0.016 177.608 177.584 0.067 0.000 1.027 201 A CA 0.806 52.870 52.037 0.044 0.000 0.759 201 A CB -0.530 18.493 19.000 0.038 0.000 0.939 201 A HN 0.836 nan 8.150 nan 0.000 0.505 202 I N 4.547 125.170 120.570 0.090 0.000 2.362 202 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 202 I C -1.850 174.368 176.117 0.168 0.000 0.994 202 I CA -2.217 59.164 61.300 0.135 0.000 1.158 202 I CB 1.859 39.938 38.000 0.131 0.000 1.315 202 I HN 0.546 nan 8.210 nan 0.000 0.451 203 P HA -0.011 nan 4.420 nan 0.000 0.267 203 P C -0.257 177.190 177.300 0.245 0.000 1.201 203 P CA -0.151 63.059 63.100 0.183 0.000 0.775 203 P CB 0.733 32.525 31.700 0.153 0.000 0.854 204 A N 1.608 124.520 122.820 0.153 0.000 2.386 204 A HA 0.589 4.909 4.320 -0.000 0.000 0.246 204 A C 0.843 178.521 177.584 0.157 0.000 1.089 204 A CA 0.806 52.933 52.037 0.150 0.000 0.790 204 A CB -0.815 18.233 19.000 0.080 0.000 1.042 204 A HN 0.967 nan 8.150 nan 0.000 0.497 205 G N -1.846 107.042 108.800 0.148 0.000 2.331 205 G HA2 0.542 4.502 3.960 -0.000 0.000 0.402 205 G HA3 0.542 4.502 3.960 -0.000 0.000 0.402 205 G C -0.258 174.650 174.900 0.013 0.000 1.275 205 G CA -0.159 44.959 45.100 0.030 0.000 1.003 205 G HN 2.125 nan 8.290 nan 0.000 0.500 206 A N -0.751 121.976 122.820 -0.155 0.000 2.316 206 A HA 0.862 5.182 4.320 -0.000 0.000 0.284 206 A C -1.078 176.276 177.584 -0.382 0.000 1.115 206 A CA -0.132 51.844 52.037 -0.101 0.000 0.812 206 A CB 0.556 19.523 19.000 -0.055 0.000 1.064 206 A HN 1.475 nan 8.150 nan 0.000 0.489 207 Y N 0.170 120.550 120.300 0.133 0.000 2.401 207 Y HA 0.313 4.863 4.550 -0.000 0.000 0.330 207 Y C 0.063 176.046 175.900 0.139 0.000 1.071 207 Y CA -0.526 57.640 58.100 0.110 0.000 1.049 207 Y CB 1.714 40.288 38.460 0.190 0.000 1.239 207 Y HN 0.725 nan 8.280 nan 0.000 0.437 208 Q N 2.677 122.551 119.800 0.124 0.000 2.230 208 Q HA 0.571 4.911 4.340 -0.000 0.000 0.248 208 Q C -1.501 174.488 176.000 -0.019 0.000 0.915 208 Q CA -0.619 55.257 55.803 0.122 0.000 0.900 208 Q CB 1.662 30.423 28.738 0.038 0.000 1.229 208 Q HN 0.530 nan 8.270 nan 0.000 0.439 209 F N 0.548 120.499 119.950 0.002 0.000 2.507 209 F HA 0.238 4.765 4.527 -0.000 0.000 0.328 209 F C -0.229 175.500 175.800 -0.119 0.000 1.136 209 F CA -1.160 56.816 58.000 -0.041 0.000 0.930 209 F CB 1.530 40.462 39.000 -0.114 0.000 1.166 209 F HN 0.224 nan 8.300 nan 0.000 0.436 210 V N 2.018 121.936 119.914 0.007 0.000 2.415 210 V HA 0.315 4.435 4.120 -0.000 0.000 0.267 210 V C -0.003 175.912 176.094 -0.298 0.000 1.042 210 V CA -0.864 61.370 62.300 -0.110 0.000 1.000 210 V CB 0.275 32.039 31.823 -0.099 0.000 1.015 210 V HN 0.467 nan 8.190 nan 0.000 0.478 211 V N 8.876 128.569 119.914 -0.369 0.000 2.421 211 V HA 0.168 4.288 4.120 -0.000 0.000 0.271 211 V C -1.212 174.499 176.094 -0.639 0.000 1.031 211 V CA -0.904 60.989 62.300 -0.678 0.000 1.032 211 V CB 0.333 31.899 31.823 -0.428 0.000 1.009 211 V HN 0.893 nan 8.190 nan 0.000 0.477 212 P HA 0.042 nan 4.420 nan 0.000 0.266 212 P C 0.831 177.781 177.300 -0.583 0.000 1.195 212 P CA 0.198 62.925 63.100 -0.621 0.000 0.768 212 P CB 1.025 32.348 31.700 -0.629 0.000 0.838 213 A N 5.290 127.943 122.820 -0.278 0.000 1.954 213 A HA -0.206 4.114 4.320 -0.000 0.000 0.222 213 A C 2.048 179.567 177.584 -0.109 0.000 1.199 213 A CA 2.200 54.147 52.037 -0.151 0.000 0.657 213 A CB -1.843 17.133 19.000 -0.040 0.000 0.823 213 A HN 0.859 nan 8.150 nan 0.000 0.463 214 W N -1.421 119.837 121.300 -0.070 0.000 2.388 214 W HA 0.140 4.800 4.660 -0.000 0.000 0.294 214 W C 1.770 178.309 176.519 0.033 0.000 1.212 214 W CA 1.122 58.449 57.345 -0.029 0.000 1.271 214 W CB -0.920 28.485 29.460 -0.091 0.000 1.126 214 W HN 0.418 nan 8.180 nan 0.000 0.535 215 A N 1.330 123.686 122.820 -0.774 0.000 2.238 215 A HA 0.023 4.343 4.320 -0.000 0.000 0.210 215 A C 1.925 179.350 177.584 -0.264 0.000 1.179 215 A CA 0.916 52.599 52.037 -0.589 0.000 0.827 215 A CB -0.923 17.365 19.000 -1.186 0.000 0.856 215 A HN 0.291 nan 8.150 nan 0.000 0.488 216 S N -0.011 115.532 115.700 -0.261 0.000 2.723 216 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 216 S C 1.002 175.570 174.600 -0.053 0.000 0.967 216 S CA 0.898 59.008 58.200 -0.150 0.000 0.958 216 S CB -0.794 62.315 63.200 -0.151 0.000 0.778 216 S HN 1.010 nan 8.310 nan 0.000 0.537 217 V N -3.151 116.757 119.914 -0.010 0.000 3.432 217 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 217 V C 0.385 176.506 176.094 0.045 0.000 1.464 217 V CA -0.553 61.761 62.300 0.024 0.000 1.046 217 V CB -0.594 31.261 31.823 0.054 0.000 0.887 217 V HN 0.370 nan 8.190 nan 0.000 0.441 218 L N 1.455 122.720 121.223 0.070 0.000 2.475 218 L HA 0.647 4.987 4.340 -0.000 0.000 0.253 218 L C 0.430 177.324 176.870 0.040 0.000 1.198 218 L CA 0.527 55.440 54.840 0.122 0.000 0.814 218 L CB 1.297 43.510 42.059 0.257 0.000 1.134 218 L HN 0.386 nan 8.230 nan 0.000 0.478 219 S N 0.196 115.885 115.700 -0.018 0.000 2.535 219 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 219 S C -1.174 173.190 174.600 -0.392 0.000 1.149 219 S CA -0.677 57.418 58.200 -0.174 0.000 0.888 219 S CB 1.609 64.741 63.200 -0.113 0.000 1.110 219 S HN 0.457 nan 8.310 nan 0.000 0.463 220 V N 1.162 120.705 119.914 -0.618 0.000 3.001 220 V HA 1.017 5.137 4.120 -0.000 0.000 0.314 220 V C -0.497 175.281 176.094 -0.526 0.000 1.099 220 V CA -0.585 61.242 62.300 -0.788 0.000 0.989 220 V CB 1.348 32.460 31.823 -1.184 0.000 1.040 220 V HN 1.074 nan 8.190 nan 0.000 0.434 221 T N -1.460 112.855 114.554 -0.398 0.000 2.894 221 T HA 0.693 5.043 4.350 -0.000 0.000 0.309 221 T C 0.630 175.197 174.700 -0.223 0.000 1.208 221 T CA -0.072 61.880 62.100 -0.247 0.000 1.016 221 T CB 1.153 69.926 68.868 -0.158 0.000 1.192 221 T HN 2.397 nan 8.240 nan 0.000 0.491 222 G N 0.448 109.136 108.800 -0.186 0.000 2.390 222 G HA2 0.123 4.083 3.960 -0.000 0.000 0.299 222 G HA3 0.123 4.083 3.960 -0.000 0.000 0.299 222 G C 0.252 174.975 174.900 -0.295 0.000 1.002 222 G CA 0.063 45.031 45.100 -0.220 0.000 0.979 222 G HN 1.413 nan 8.290 nan 0.000 0.513 223 A N -0.337 122.330 122.820 -0.256 0.000 2.306 223 A HA 0.797 5.117 4.320 -0.000 0.000 0.314 223 A C -0.322 177.205 177.584 -0.095 0.000 1.164 223 A CA -0.663 51.266 52.037 -0.181 0.000 0.822 223 A CB 0.957 19.841 19.000 -0.194 0.000 1.130 223 A HN 0.492 nan 8.150 nan 0.000 0.496 224 Y N 0.867 121.255 120.300 0.146 0.000 2.361 224 Y HA 0.514 5.064 4.550 -0.000 0.000 0.332 224 Y C -0.017 176.041 175.900 0.263 0.000 1.101 224 Y CA -0.716 57.508 58.100 0.206 0.000 1.137 224 Y CB 2.222 40.812 38.460 0.217 0.000 1.207 224 Y HN 0.380 nan 8.280 nan 0.000 0.463 225 V N 4.548 124.713 119.914 0.417 0.000 2.483 225 V HA 0.410 4.530 4.120 -0.000 0.000 0.297 225 V C -1.079 175.096 176.094 0.134 0.000 1.027 225 V CA -0.953 61.454 62.300 0.178 0.000 0.855 225 V CB 0.772 32.700 31.823 0.175 0.000 0.995 225 V HN 0.735 nan 8.190 nan 0.000 0.424 226 Y N 2.044 122.267 120.300 -0.129 0.000 2.728 226 Y HA 0.789 5.339 4.550 -0.000 0.000 0.330 226 Y C -1.270 174.454 175.900 -0.292 0.000 1.234 226 Y CA -1.930 56.050 58.100 -0.200 0.000 1.070 226 Y CB 1.248 39.675 38.460 -0.055 0.000 1.300 226 Y HN 0.338 nan 8.280 nan 0.000 0.467 227 F N 1.126 121.163 119.950 0.144 0.000 2.411 227 F HA 0.580 5.107 4.527 -0.000 0.000 0.355 227 F C 0.585 176.470 175.800 0.142 0.000 1.117 227 F CA -0.066 57.964 58.000 0.051 0.000 1.139 227 F CB 1.742 40.778 39.000 0.061 0.000 1.120 227 F HN 0.678 nan 8.300 nan 0.000 0.493 228 T N 1.399 116.093 114.554 0.233 0.000 2.838 228 T HA 0.367 4.717 4.350 -0.000 0.000 0.292 228 T C -0.311 174.475 174.700 0.143 0.000 1.113 228 T CA -0.703 61.520 62.100 0.206 0.000 1.008 228 T CB 1.233 70.204 68.868 0.173 0.000 1.259 228 T HN 0.684 nan 8.240 nan 0.000 0.520 229 N N -0.103 118.669 118.700 0.121 0.000 2.307 229 N HA 0.250 4.990 4.740 -0.000 0.000 0.248 229 N C -0.827 174.731 175.510 0.080 0.000 1.322 229 N CA -0.453 52.650 53.050 0.087 0.000 0.861 229 N CB 0.712 39.241 38.487 0.070 0.000 1.303 229 N HN 0.475 nan 8.380 nan 0.000 0.498 230 S N -0.690 115.071 115.700 0.102 0.000 2.549 230 S HA 0.677 5.147 4.470 -0.000 0.000 0.280 230 S C -1.520 173.187 174.600 0.178 0.000 1.109 230 S CA -0.852 57.417 58.200 0.115 0.000 0.905 230 S CB 1.433 64.684 63.200 0.084 0.000 1.081 230 S HN 0.190 nan 8.310 nan 0.000 0.477 231 F N 3.661 123.616 119.950 0.009 0.000 2.610 231 F HA 0.613 5.140 4.527 -0.000 0.000 0.355 231 F C -0.435 175.450 175.800 0.142 0.000 1.140 231 F CA -1.732 56.281 58.000 0.021 0.000 1.037 231 F CB 0.087 39.102 39.000 0.026 0.000 1.287 231 F HN 0.849 nan 8.300 nan 0.000 0.457 232 F N 3.921 123.647 119.950 -0.373 0.000 2.926 232 F HA -0.150 4.377 4.527 -0.000 0.000 0.288 232 F C 1.363 177.050 175.800 -0.188 0.000 0.756 232 F CA 1.099 58.864 58.000 -0.392 0.000 1.292 232 F CB -1.000 37.618 39.000 -0.637 0.000 1.482 232 F HN 1.017 nan 8.300 nan 0.000 0.400 233 G N -0.051 108.760 108.800 0.017 0.000 2.141 233 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.242 233 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.242 233 G C 0.004 174.930 174.900 0.044 0.000 0.982 233 G CA 0.210 45.329 45.100 0.032 0.000 0.662 233 G HN 0.570 nan 8.290 nan 0.000 0.527 234 T N 1.332 115.926 114.554 0.066 0.000 2.772 234 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 234 T C 0.453 175.204 174.700 0.084 0.000 0.994 234 T CA -0.517 61.624 62.100 0.068 0.000 0.951 234 T CB 1.437 70.351 68.868 0.077 0.000 0.933 234 T HN 0.252 nan 8.240 nan 0.000 0.447 235 I N 3.949 124.551 120.570 0.053 0.000 2.821 235 I HA 0.000 4.170 4.170 -0.000 0.000 0.294 235 I C 0.521 176.658 176.117 0.033 0.000 1.210 235 I CA 0.200 61.526 61.300 0.044 0.000 1.430 235 I CB -0.157 37.859 38.000 0.026 0.000 1.356 235 I HN 0.529 nan 8.210 nan 0.000 0.563 236 I N 5.992 126.577 120.570 0.024 0.000 2.440 236 I HA 0.540 4.710 4.170 -0.000 0.000 0.294 236 I C 0.463 176.563 176.117 -0.028 0.000 0.995 236 I CA -0.437 60.847 61.300 -0.027 0.000 1.306 236 I CB 1.171 39.136 38.000 -0.059 0.000 1.407 236 I HN 0.671 nan 8.210 nan 0.000 0.501 237 A N 3.567 126.356 122.820 -0.051 0.000 2.322 237 A HA 0.759 5.079 4.320 -0.000 0.000 0.327 237 A C 0.588 178.145 177.584 -0.046 0.000 1.134 237 A CA -0.072 51.944 52.037 -0.036 0.000 0.831 237 A CB 1.180 20.162 19.000 -0.030 0.000 1.288 237 A HN 1.139 nan 8.150 nan 0.000 0.472 238 G N -1.097 107.687 108.800 -0.027 0.000 2.212 238 G HA2 0.104 4.064 3.960 -0.000 0.000 0.255 238 G HA3 0.104 4.064 3.960 -0.000 0.000 0.255 238 G C -0.247 174.641 174.900 -0.020 0.000 1.062 238 G CA 0.237 45.322 45.100 -0.025 0.000 0.815 238 G HN 1.696 nan 8.290 nan 0.000 0.497 239 V N -0.255 119.655 119.914 -0.007 0.000 2.924 239 V HA 0.738 4.858 4.120 -0.000 0.000 0.300 239 V C 0.095 176.198 176.094 0.015 0.000 1.227 239 V CA -0.287 62.020 62.300 0.011 0.000 0.954 239 V CB 2.277 34.118 31.823 0.030 0.000 1.055 239 V HN 0.969 nan 8.190 nan 0.000 0.429 240 T N 0.631 115.190 114.554 0.009 0.000 2.797 240 T HA 0.744 5.094 4.350 -0.000 0.000 0.279 240 T C 0.377 175.062 174.700 -0.025 0.000 0.991 240 T CA 0.026 62.120 62.100 -0.011 0.000 0.979 240 T CB 1.971 70.820 68.868 -0.031 0.000 0.943 240 T HN 1.071 nan 8.240 nan 0.000 0.444 241 A N 2.484 125.306 122.820 0.004 0.000 2.500 241 A HA 0.437 4.757 4.320 -0.000 0.000 0.267 241 A C 1.171 178.760 177.584 0.009 0.000 1.290 241 A CA -0.405 51.654 52.037 0.036 0.000 0.928 241 A CB -0.556 18.502 19.000 0.097 0.000 1.066 241 A HN 0.961 nan 8.150 nan 0.000 0.516 242 T N -2.374 112.159 114.554 -0.034 0.000 2.847 242 T HA 0.767 5.117 4.350 -0.000 0.000 0.279 242 T C -0.005 174.659 174.700 -0.059 0.000 0.984 242 T CA 0.006 62.090 62.100 -0.028 0.000 0.988 242 T CB 1.631 70.484 68.868 -0.024 0.000 1.040 242 T HN 1.425 nan 8.240 nan 0.000 0.528 243 A N 0.386 123.190 122.820 -0.027 0.000 2.522 243 A HA 0.635 4.955 4.320 -0.000 0.000 0.294 243 A C -0.506 177.078 177.584 -0.000 0.000 1.001 243 A CA -1.052 50.971 52.037 -0.024 0.000 0.642 243 A CB 0.695 19.692 19.000 -0.005 0.000 1.326 243 A HN 0.940 nan 8.150 nan 0.000 0.435 244 T N 0.509 115.065 114.554 0.004 0.000 2.924 244 T HA 0.617 4.967 4.350 -0.000 0.000 0.291 244 T C 1.394 176.104 174.700 0.016 0.000 1.045 244 T CA 0.201 62.306 62.100 0.008 0.000 1.015 244 T CB 1.735 70.605 68.868 0.004 0.000 1.103 244 T HN 1.731 nan 8.240 nan 0.000 0.496 245 A N 0.931 123.759 122.820 0.014 0.000 2.070 245 A HA 0.136 4.456 4.320 -0.000 0.000 0.220 245 A C 2.257 179.851 177.584 0.017 0.000 1.159 245 A CA 1.735 53.782 52.037 0.017 0.000 0.656 245 A CB -0.869 18.138 19.000 0.012 0.000 0.800 245 A HN 0.901 nan 8.150 nan 0.000 0.453 246 A N -0.238 122.590 122.820 0.014 0.000 2.067 246 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 246 A C 0.496 178.089 177.584 0.015 0.000 1.156 246 A CA 0.413 52.457 52.037 0.013 0.000 0.683 246 A CB -0.402 18.603 19.000 0.009 0.000 0.808 246 A HN 0.445 nan 8.150 nan 0.000 0.455 247 D N 0.614 121.024 120.400 0.017 0.000 2.515 247 D HA 0.333 4.973 4.640 -0.000 0.000 0.232 247 D C 0.554 176.870 176.300 0.027 0.000 1.157 247 D CA 1.144 55.155 54.000 0.019 0.000 0.871 247 D CB 0.487 41.299 40.800 0.020 0.000 1.200 247 D HN 0.460 nan 8.370 nan 0.000 0.466 248 A N 1.562 124.398 122.820 0.026 0.000 2.386 248 A HA 0.527 4.847 4.320 -0.000 0.000 0.248 248 A C 0.272 177.883 177.584 0.046 0.000 1.082 248 A CA -0.214 51.842 52.037 0.031 0.000 0.789 248 A CB 0.292 19.309 19.000 0.028 0.000 1.025 248 A HN 0.633 nan 8.150 nan 0.000 0.490 249 A N 1.645 124.492 122.820 0.046 0.000 2.440 249 A HA 0.528 4.848 4.320 -0.000 0.000 0.251 249 A C 0.515 178.143 177.584 0.074 0.000 1.089 249 A CA 0.195 52.268 52.037 0.060 0.000 0.779 249 A CB -0.242 18.784 19.000 0.044 0.000 1.022 249 A HN 0.826 nan 8.150 nan 0.000 0.492 250 T N 2.192 116.810 114.554 0.106 0.000 2.771 250 T HA 0.626 4.976 4.350 -0.000 0.000 0.281 250 T C 0.238 174.993 174.700 0.092 0.000 0.982 250 T CA 0.098 62.270 62.100 0.120 0.000 0.978 250 T CB 1.062 70.064 68.868 0.224 0.000 0.930 250 T HN 1.003 nan 8.240 nan 0.000 0.447 251 T N 0.542 115.148 114.554 0.088 0.000 2.883 251 T HA 0.845 5.195 4.350 -0.000 0.000 0.296 251 T C -0.907 173.880 174.700 0.144 0.000 1.117 251 T CA -1.019 61.126 62.100 0.074 0.000 1.006 251 T CB 1.478 70.337 68.868 -0.015 0.000 1.191 251 T HN 0.521 nan 8.240 nan 0.000 0.508 252 F N -0.722 119.182 119.950 -0.077 0.000 2.650 252 F HA 0.903 5.430 4.527 -0.000 0.000 0.320 252 F C -0.528 175.197 175.800 -0.124 0.000 1.091 252 F CA -0.837 57.114 58.000 -0.082 0.000 0.962 252 F CB 1.711 40.651 39.000 -0.100 0.000 1.363 252 F HN 0.942 nan 8.300 nan 0.000 0.482 253 T N -0.481 114.029 114.554 -0.073 0.000 2.896 253 T HA 0.786 5.136 4.350 -0.000 0.000 0.297 253 T C -1.666 172.995 174.700 -0.066 0.000 1.108 253 T CA -0.755 61.223 62.100 -0.203 0.000 1.004 253 T CB 1.546 70.349 68.868 -0.109 0.000 1.159 253 T HN 0.756 nan 8.240 nan 0.000 0.499 254 V N 3.223 123.070 119.914 -0.111 0.000 2.769 254 V HA 0.501 4.621 4.120 -0.000 0.000 0.312 254 V C -1.487 174.592 176.094 -0.024 0.000 1.061 254 V CA -2.200 60.086 62.300 -0.024 0.000 0.931 254 V CB 2.288 34.115 31.823 0.008 0.000 1.010 254 V HN 0.870 nan 8.190 nan 0.000 0.433 255 P HA -0.064 nan 4.420 nan 0.000 0.236 255 P C 0.818 178.111 177.300 -0.011 0.000 1.172 255 P CA 0.969 64.062 63.100 -0.011 0.000 0.759 255 P CB 0.163 31.858 31.700 -0.009 0.000 0.843 256 T N -3.076 111.476 114.554 -0.004 0.000 3.023 256 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 256 T C 0.628 175.322 174.700 -0.010 0.000 1.050 256 T CA 0.186 62.285 62.100 -0.001 0.000 1.088 256 T CB 0.172 69.050 68.868 0.018 0.000 0.946 256 T HN 0.071 nan 8.240 nan 0.000 0.480 257 D N 0.700 121.085 120.400 -0.025 0.000 2.308 257 D HA 0.553 5.193 4.640 -0.000 0.000 0.242 257 D C 0.718 176.982 176.300 -0.060 0.000 1.059 257 D CA -0.360 53.615 54.000 -0.042 0.000 0.830 257 D CB 2.012 42.779 40.800 -0.056 0.000 1.161 257 D HN 0.093 nan 8.370 nan 0.000 0.494 258 A N 4.015 126.806 122.820 -0.048 0.000 2.121 258 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 258 A C 0.633 178.179 177.584 -0.064 0.000 1.154 258 A CA 0.759 52.767 52.037 -0.048 0.000 0.679 258 A CB -0.215 18.764 19.000 -0.035 0.000 0.795 258 A HN 0.572 nan 8.150 nan 0.000 0.458 259 N N 0.286 118.938 118.700 -0.080 0.000 2.466 259 N HA 0.409 5.149 4.740 -0.000 0.000 0.294 259 N C -0.960 174.457 175.510 -0.155 0.000 1.129 259 N CA -0.605 52.387 53.050 -0.096 0.000 0.931 259 N CB 0.450 38.889 38.487 -0.080 0.000 1.193 259 N HN 0.231 nan 8.380 nan 0.000 0.500 260 N N 0.206 118.813 118.700 -0.154 0.000 2.518 260 N HA 0.230 4.970 4.740 -0.000 0.000 0.266 260 N C -1.041 174.288 175.510 -0.302 0.000 1.196 260 N CA -0.124 52.792 53.050 -0.224 0.000 0.947 260 N CB 0.477 38.879 38.487 -0.142 0.000 1.098 260 N HN 0.349 nan 8.380 nan 0.000 0.450 261 L N 3.728 124.616 121.223 -0.558 0.000 2.265 261 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 261 L C -1.917 174.720 176.870 -0.388 0.000 1.033 261 L CA -1.746 52.723 54.840 -0.618 0.000 0.814 261 L CB 1.113 42.412 42.059 -1.266 0.000 1.203 261 L HN 0.428 nan 8.230 nan 0.000 0.423 262 P HA 0.086 nan 4.420 nan 0.000 0.270 262 P C -0.861 176.486 177.300 0.077 0.000 1.223 262 P CA -0.127 62.966 63.100 -0.012 0.000 0.785 262 P CB 1.526 33.230 31.700 0.008 0.000 0.923 263 V N 2.483 122.441 119.914 0.073 0.000 2.735 263 V HA 0.260 4.380 4.120 -0.000 0.000 0.310 263 V C 0.515 176.623 176.094 0.025 0.000 1.061 263 V CA -0.386 61.929 62.300 0.025 0.000 0.913 263 V CB 1.071 32.819 31.823 -0.125 0.000 1.005 263 V HN 0.680 nan 8.190 nan 0.000 0.428 264 Q N 1.298 121.120 119.800 0.037 0.000 2.504 264 Q HA -0.154 4.186 4.340 -0.000 0.000 0.274 264 Q C 0.049 176.099 176.000 0.084 0.000 1.103 264 Q CA 1.101 56.962 55.803 0.095 0.000 0.962 264 Q CB -1.431 27.399 28.738 0.153 0.000 1.322 264 Q HN 1.132 nan 8.270 nan 0.000 0.500 265 T N -3.234 111.378 114.554 0.097 0.000 2.912 265 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 265 T C 0.361 175.128 174.700 0.112 0.000 1.030 265 T CA -0.601 61.551 62.100 0.088 0.000 1.020 265 T CB 1.436 70.359 68.868 0.091 0.000 1.056 265 T HN -0.026 nan 8.240 nan 0.000 0.480 266 D N 1.111 121.560 120.400 0.083 0.000 2.363 266 D HA 0.071 4.711 4.640 -0.000 0.000 0.226 266 D C 0.237 176.697 176.300 0.266 0.000 1.020 266 D CA 0.336 54.403 54.000 0.111 0.000 0.892 266 D CB 0.093 40.920 40.800 0.045 0.000 0.900 266 D HN 0.420 nan 8.370 nan 0.000 0.531 267 S N 0.591 116.415 115.700 0.207 0.000 2.548 267 S HA 0.252 4.722 4.470 -0.000 0.000 0.277 267 S C 0.544 175.236 174.600 0.154 0.000 1.315 267 S CA -0.514 57.781 58.200 0.158 0.000 1.050 267 S CB 1.362 64.619 63.200 0.095 0.000 0.918 267 S HN 0.074 nan 8.310 nan 0.000 0.497 268 R N 2.396 122.914 120.500 0.030 0.000 2.234 268 R HA 0.370 4.710 4.340 -0.000 0.000 0.324 268 R C -0.478 175.799 176.300 -0.038 0.000 1.054 268 R CA -0.182 55.843 56.100 -0.125 0.000 0.912 268 R CB 0.209 30.381 30.300 -0.214 0.000 1.030 268 R HN 0.497 nan 8.270 nan 0.000 0.455 269 L N 1.026 122.252 121.223 0.005 0.000 2.358 269 L HA 0.502 4.842 4.340 -0.000 0.000 0.268 269 L C 0.130 177.010 176.870 0.017 0.000 1.032 269 L CA -0.747 54.150 54.840 0.093 0.000 0.805 269 L CB 1.800 44.036 42.059 0.296 0.000 1.253 269 L HN 0.531 nan 8.230 nan 0.000 0.452 270 S N 1.354 117.102 115.700 0.079 0.000 2.736 270 S HA 0.744 5.214 4.470 -0.000 0.000 0.285 270 S C -1.026 173.637 174.600 0.105 0.000 1.163 270 S CA -0.582 57.589 58.200 -0.049 0.000 1.025 270 S CB 1.212 64.383 63.200 -0.049 0.000 1.030 270 S HN 0.493 nan 8.310 nan 0.000 0.486 271 F N -0.516 119.401 119.950 -0.054 0.000 2.773 271 F HA 0.852 5.379 4.527 -0.000 0.000 0.314 271 F C -0.746 175.034 175.800 -0.032 0.000 1.160 271 F CA -1.100 56.881 58.000 -0.032 0.000 0.920 271 F CB 0.856 39.860 39.000 0.006 0.000 1.323 271 F HN 0.396 nan 8.300 nan 0.000 0.457 272 S N 0.748 116.585 115.700 0.228 0.000 2.521 272 S HA 0.584 5.054 4.470 -0.000 0.000 0.295 272 S C -0.456 174.256 174.600 0.185 0.000 1.098 272 S CA -0.873 57.388 58.200 0.101 0.000 0.999 272 S CB 1.510 64.726 63.200 0.026 0.000 1.034 272 S HN 0.879 nan 8.310 nan 0.000 0.483 273 L N 2.306 123.616 121.223 0.144 0.000 2.713 273 L HA 0.291 4.631 4.340 -0.000 0.000 0.245 273 L C 1.096 177.978 176.870 0.021 0.000 1.169 273 L CA -0.193 54.717 54.840 0.117 0.000 0.962 273 L CB -1.019 41.110 42.059 0.117 0.000 1.161 273 L HN 0.896 nan 8.230 nan 0.000 0.427 274 G N -0.994 107.818 108.800 0.021 0.000 2.417 274 G HA2 0.512 4.472 3.960 -0.000 0.000 0.320 274 G HA3 0.512 4.472 3.960 -0.000 0.000 0.320 274 G C 0.551 175.444 174.900 -0.010 0.000 1.204 274 G CA 0.387 45.480 45.100 -0.012 0.000 0.923 274 G HN 0.210 nan 8.290 nan 0.000 0.466 275 G N 0.207 108.991 108.800 -0.025 0.000 3.033 275 G HA2 0.439 4.399 3.960 -0.000 0.000 0.208 275 G HA3 0.439 4.399 3.960 -0.000 0.000 0.208 275 G C 0.606 175.490 174.900 -0.028 0.000 1.006 275 G CA 0.986 46.073 45.100 -0.021 0.000 0.808 275 G HN 2.169 nan 8.290 nan 0.000 0.499 276 G N 0.129 108.905 108.800 -0.040 0.000 2.530 276 G HA2 0.324 4.284 3.960 -0.000 0.000 0.081 276 G HA3 0.324 4.284 3.960 -0.000 0.000 0.081 276 G C -1.586 173.278 174.900 -0.060 0.000 1.062 276 G CA 0.137 45.210 45.100 -0.046 0.000 1.108 276 G HN 0.624 nan 8.290 nan 0.000 0.466 277 N N 0.594 119.270 118.700 -0.040 0.000 2.404 277 N HA 0.597 5.337 4.740 -0.000 0.000 0.297 277 N C -0.238 175.270 175.510 -0.004 0.000 1.163 277 N CA -0.363 52.666 53.050 -0.036 0.000 0.864 277 N CB 2.475 40.954 38.487 -0.014 0.000 1.247 277 N HN 0.853 nan 8.380 nan 0.000 0.510 278 I N -1.367 119.199 120.570 -0.006 0.000 2.440 278 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 278 I C -0.544 175.635 176.117 0.103 0.000 0.995 278 I CA -0.551 60.760 61.300 0.018 0.000 1.306 278 I CB 0.869 38.794 38.000 -0.125 0.000 1.407 278 I HN 0.236 nan 8.210 nan 0.000 0.501 279 N N 5.439 124.223 118.700 0.139 0.000 2.699 279 N HA 0.366 5.106 4.740 -0.000 0.000 0.232 279 N C -0.894 174.757 175.510 0.235 0.000 1.027 279 N CA -0.538 52.617 53.050 0.176 0.000 0.920 279 N CB 0.815 39.362 38.487 0.099 0.000 1.148 279 N HN 0.614 nan 8.380 nan 0.000 0.509 280 L N 1.473 122.894 121.223 0.330 0.000 2.397 280 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 280 L C -0.073 176.976 176.870 0.299 0.000 1.148 280 L CA 0.432 55.467 54.840 0.325 0.000 0.825 280 L CB 0.625 42.904 42.059 0.365 0.000 1.117 280 L HN 0.430 nan 8.230 nan 0.000 0.456 281 E N 4.929 125.255 120.200 0.210 0.000 2.346 281 E HA 0.163 4.513 4.350 -0.000 0.000 0.239 281 E C -1.204 175.476 176.600 0.133 0.000 0.943 281 E CA -0.863 55.638 56.400 0.168 0.000 0.751 281 E CB 1.289 31.052 29.700 0.106 0.000 1.241 281 E HN 0.432 nan 8.360 nan 0.000 0.423 282 L N 2.415 123.725 121.223 0.145 0.000 2.597 282 L HA 0.077 4.417 4.340 -0.000 0.000 0.271 282 L C 1.461 178.375 176.870 0.074 0.000 1.157 282 L CA 0.831 55.695 54.840 0.040 0.000 0.928 282 L CB 0.604 42.640 42.059 -0.039 0.000 1.216 282 L HN 0.630 nan 8.230 nan 0.000 0.481 283 G N 4.104 112.943 108.800 0.064 0.000 2.422 283 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 283 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 283 G C 0.340 175.262 174.900 0.037 0.000 1.140 283 G CA 0.390 45.523 45.100 0.055 0.000 0.775 283 G HN 0.407 nan 8.290 nan 0.000 0.545 284 V N 0.108 120.030 119.914 0.013 0.000 2.789 284 V HA 0.696 4.816 4.120 -0.000 0.000 0.311 284 V C 0.166 176.253 176.094 -0.011 0.000 1.073 284 V CA -1.193 61.107 62.300 -0.000 0.000 0.921 284 V CB 1.689 33.500 31.823 -0.020 0.000 1.009 284 V HN 0.375 nan 8.190 nan 0.000 0.426 285 A N 4.350 127.179 122.820 0.016 0.000 2.520 285 A HA 0.507 4.827 4.320 -0.000 0.000 0.245 285 A C 0.040 177.622 177.584 -0.002 0.000 1.072 285 A CA 0.268 52.324 52.037 0.032 0.000 0.761 285 A CB -0.021 19.008 19.000 0.049 0.000 1.004 285 A HN 0.803 nan 8.150 nan 0.000 0.499 286 K N 1.153 121.560 120.400 0.010 0.000 2.426 286 K HA 0.421 4.741 4.320 -0.000 0.000 0.251 286 K C -0.667 175.960 176.600 0.045 0.000 0.941 286 K CA -0.589 55.693 56.287 -0.008 0.000 0.808 286 K CB 2.034 34.490 32.500 -0.072 0.000 1.265 286 K HN 0.579 nan 8.250 nan 0.000 0.432 287 T N 1.191 115.757 114.554 0.020 0.000 4.475 287 T HA 0.303 4.653 4.350 -0.000 0.000 0.254 287 T C 0.390 175.105 174.700 0.025 0.000 1.160 287 T CA -0.345 61.770 62.100 0.024 0.000 1.091 287 T CB -0.595 68.279 68.868 0.009 0.000 1.377 287 T HN 0.884 nan 8.240 nan 0.000 1.057 288 G N 2.320 111.149 108.800 0.047 0.000 3.307 288 G HA2 0.081 4.041 3.960 -0.000 0.000 0.686 288 G HA3 0.081 4.041 3.960 -0.000 0.000 0.686 288 G C -0.696 174.231 174.900 0.044 0.000 0.983 288 G CA -0.876 44.222 45.100 -0.004 0.000 0.804 288 G HN 0.756 nan 8.290 nan 0.000 0.531 289 F N 0.101 120.059 119.950 0.012 0.000 2.603 289 F HA 0.865 5.392 4.527 -0.000 0.000 0.317 289 F C -0.095 175.763 175.800 0.097 0.000 1.066 289 F CA -1.817 56.196 58.000 0.022 0.000 0.941 289 F CB 1.675 40.668 39.000 -0.012 0.000 1.291 289 F HN 0.887 nan 8.300 nan 0.000 0.472 290 C N 3.641 123.131 119.300 0.317 0.000 2.432 290 C HA 0.798 5.258 4.460 -0.000 0.000 0.334 290 C C -0.908 174.056 174.990 -0.043 0.000 1.155 290 C CA -0.438 58.633 59.018 0.088 0.000 1.335 290 C CB 0.256 28.091 27.740 0.158 0.000 1.964 290 C HN 0.832 nan 8.230 nan 0.000 0.444 291 V N 5.487 125.064 119.914 -0.562 0.000 2.509 291 V HA 0.732 4.852 4.120 -0.000 0.000 0.284 291 V C 0.741 176.301 176.094 -0.890 0.000 1.047 291 V CA -0.008 61.733 62.300 -0.932 0.000 0.952 291 V CB 1.406 32.261 31.823 -1.613 0.000 0.988 291 V HN 1.092 nan 8.190 nan 0.000 0.469 292 A N 5.803 128.179 122.820 -0.741 0.000 2.331 292 A HA 0.840 5.160 4.320 -0.000 0.000 0.320 292 A C -0.705 176.607 177.584 -0.452 0.000 1.138 292 A CA -0.534 51.116 52.037 -0.644 0.000 0.790 292 A CB 0.745 19.160 19.000 -0.974 0.000 1.206 292 A HN 0.768 nan 8.150 nan 0.000 0.470 293 I N 2.304 122.782 120.570 -0.153 0.000 2.371 293 I HA 0.289 4.459 4.170 -0.000 0.000 0.282 293 I C -0.078 176.160 176.117 0.202 0.000 1.031 293 I CA 0.024 61.379 61.300 0.090 0.000 1.180 293 I CB 1.287 39.445 38.000 0.263 0.000 1.336 293 I HN 0.783 nan 8.210 nan 0.000 0.467 294 E N 5.692 126.010 120.200 0.198 0.000 2.155 294 E HA 0.692 5.042 4.350 -0.000 0.000 0.264 294 E C -0.460 176.271 176.600 0.219 0.000 0.886 294 E CA -0.391 56.180 56.400 0.285 0.000 0.752 294 E CB 1.701 31.603 29.700 0.337 0.000 1.133 294 E HN 0.803 nan 8.360 nan 0.000 0.414 295 G N 3.273 112.201 108.800 0.212 0.000 2.510 295 G HA2 0.112 4.072 3.960 -0.000 0.000 0.277 295 G HA3 0.112 4.072 3.960 -0.000 0.000 0.277 295 G C -1.346 173.596 174.900 0.069 0.000 1.223 295 G CA -0.734 44.372 45.100 0.009 0.000 0.887 295 G HN 0.427 nan 8.290 nan 0.000 0.485 296 E N -0.363 119.789 120.200 -0.080 0.000 2.200 296 E HA 0.640 4.990 4.350 -0.000 0.000 0.283 296 E C -1.309 175.234 176.600 -0.094 0.000 1.015 296 E CA -0.334 56.076 56.400 0.016 0.000 0.819 296 E CB 0.730 30.416 29.700 -0.023 0.000 1.081 296 E HN 0.188 nan 8.360 nan 0.000 0.397 297 F N 1.855 121.789 119.950 -0.027 0.000 2.450 297 F HA 0.512 5.039 4.527 -0.000 0.000 0.332 297 F C 0.675 176.468 175.800 -0.011 0.000 1.093 297 F CA -0.458 57.526 58.000 -0.027 0.000 1.003 297 F CB 2.058 41.058 39.000 0.001 0.000 1.151 297 F HN 0.309 nan 8.300 nan 0.000 0.474 298 T N 2.553 117.179 114.554 0.120 0.000 2.883 298 T HA 0.662 5.012 4.350 -0.000 0.000 0.301 298 T C -0.961 173.786 174.700 0.078 0.000 1.158 298 T CA -0.705 61.447 62.100 0.087 0.000 1.007 298 T CB 1.058 69.951 68.868 0.041 0.000 1.186 298 T HN 0.410 nan 8.240 nan 0.000 0.499 299 I N 3.632 124.248 120.570 0.076 0.000 2.312 299 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 299 I C 0.609 176.745 176.117 0.032 0.000 1.031 299 I CA -0.876 60.462 61.300 0.063 0.000 1.293 299 I CB 1.021 39.067 38.000 0.076 0.000 1.403 299 I HN 0.599 nan 8.210 nan 0.000 0.484 300 L N 5.468 126.690 121.223 -0.002 0.000 2.581 300 L HA -0.083 4.257 4.340 -0.000 0.000 0.299 300 L C 1.072 177.874 176.870 -0.115 0.000 1.261 300 L CA -0.078 54.723 54.840 -0.065 0.000 0.866 300 L CB 0.100 42.127 42.059 -0.053 0.000 1.113 300 L HN 0.698 nan 8.230 nan 0.000 0.514 301 A N 3.434 126.077 122.820 -0.296 0.000 2.531 301 A HA 0.042 4.362 4.320 -0.000 0.000 0.236 301 A C 0.961 178.425 177.584 -0.200 0.000 1.062 301 A CA 0.028 51.760 52.037 -0.508 0.000 0.760 301 A CB -0.132 18.206 19.000 -1.103 0.000 0.995 301 A HN 0.991 nan 8.150 nan 0.000 0.501 302 N N 0.268 118.937 118.700 -0.053 0.000 2.714 302 N HA -0.162 4.577 4.740 -0.000 0.000 0.250 302 N C 0.320 175.845 175.510 0.026 0.000 1.117 302 N CA 1.316 54.380 53.050 0.023 0.000 0.719 302 N CB -0.506 37.982 38.487 0.003 0.000 1.081 302 N HN 0.747 nan 8.380 nan 0.000 0.557 303 R N -0.687 119.835 120.500 0.038 0.000 2.531 303 R HA 0.174 4.514 4.340 -0.000 0.000 0.316 303 R C 1.421 177.784 176.300 0.105 0.000 0.955 303 R CA 0.629 56.760 56.100 0.053 0.000 1.120 303 R CB 0.110 30.426 30.300 0.027 0.000 1.361 303 R HN 0.352 nan 8.270 nan 0.000 0.534 304 S N 0.351 116.138 115.700 0.144 0.000 2.547 304 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 304 S C 1.507 176.267 174.600 0.266 0.000 0.980 304 S CA 0.642 58.987 58.200 0.242 0.000 0.941 304 S CB 0.074 63.457 63.200 0.306 0.000 0.763 304 S HN 0.084 nan 8.310 nan 0.000 0.532 305 Q N 1.718 121.616 119.800 0.163 0.000 2.224 305 Q HA 0.242 4.582 4.340 -0.000 0.000 0.203 305 Q C 2.314 178.385 176.000 0.119 0.000 0.970 305 Q CA 1.349 57.226 55.803 0.124 0.000 0.865 305 Q CB -0.843 27.939 28.738 0.073 0.000 0.922 305 Q HN 0.721 nan 8.270 nan 0.000 0.445 306 A N -0.357 122.540 122.820 0.129 0.000 1.832 306 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 306 A C 1.933 179.607 177.584 0.150 0.000 1.200 306 A CA 1.435 53.545 52.037 0.121 0.000 0.610 306 A CB -1.140 17.932 19.000 0.120 0.000 0.842 306 A HN 0.445 nan 8.150 nan 0.000 0.444 307 Y N -0.502 119.819 120.300 0.035 0.000 2.053 307 Y HA -0.310 4.240 4.550 -0.000 0.000 0.277 307 Y C 2.181 178.082 175.900 0.001 0.000 1.159 307 Y CA 2.111 60.199 58.100 -0.020 0.000 1.125 307 Y CB -0.788 37.569 38.460 -0.172 0.000 0.969 307 Y HN 0.408 nan 8.280 nan 0.000 0.492 308 Y N -1.277 118.961 120.300 -0.105 0.000 2.516 308 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 308 Y C 2.044 177.738 175.900 -0.343 0.000 1.131 308 Y CA 1.205 59.012 58.100 -0.489 0.000 1.281 308 Y CB -0.079 38.119 38.460 -0.437 0.000 1.013 308 Y HN 0.016 nan 8.280 nan 0.000 0.554 309 T N 0.430 114.986 114.554 0.003 0.000 3.122 309 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 309 T C 0.614 175.333 174.700 0.032 0.000 1.067 309 T CA -0.066 62.043 62.100 0.015 0.000 0.966 309 T CB -0.269 68.622 68.868 0.037 0.000 1.002 309 T HN 0.234 nan 8.240 nan 0.000 0.542 310 L N 1.804 123.054 121.223 0.043 0.000 3.634 310 L HA -0.222 4.118 4.340 -0.000 0.000 0.423 310 L C 1.239 178.133 176.870 0.040 0.000 1.253 310 L CA 0.005 54.878 54.840 0.055 0.000 0.885 310 L CB -1.460 40.636 42.059 0.063 0.000 1.789 310 L HN 0.339 nan 8.230 nan 0.000 0.904 311 N N -0.079 118.649 118.700 0.047 0.000 2.325 311 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 311 N C 1.437 176.975 175.510 0.045 0.000 1.088 311 N CA 0.906 53.981 53.050 0.042 0.000 0.879 311 N CB 0.373 38.886 38.487 0.045 0.000 0.983 311 N HN 0.608 nan 8.380 nan 0.000 0.471 312 S N -0.073 115.664 115.700 0.063 0.000 2.754 312 S HA 0.240 4.710 4.470 -0.000 0.000 0.223 312 S C 0.684 175.310 174.600 0.044 0.000 0.951 312 S CA -0.286 57.958 58.200 0.073 0.000 0.954 312 S CB -0.347 62.932 63.200 0.132 0.000 0.780 312 S HN 0.131 nan 8.310 nan 0.000 0.509 313 I N 2.740 123.324 120.570 0.024 0.000 2.315 313 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 313 I C 1.084 177.201 176.117 0.001 0.000 1.006 313 I CA -0.379 60.921 61.300 0.001 0.000 1.265 313 I CB 1.708 39.706 38.000 -0.003 0.000 1.387 313 I HN 0.310 nan 8.210 nan 0.000 0.475 314 T N 1.193 115.745 114.554 -0.005 0.000 2.964 314 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 314 T C 0.720 175.417 174.700 -0.004 0.000 0.982 314 T CA -0.159 61.940 62.100 -0.002 0.000 0.959 314 T CB 0.453 69.322 68.868 0.002 0.000 1.141 314 T HN 0.442 nan 8.240 nan 0.000 0.494 315 Q N 0.867 120.662 119.800 -0.008 0.000 2.427 315 Q HA 0.677 5.017 4.340 -0.000 0.000 0.232 315 Q C -1.087 174.908 176.000 -0.009 0.000 1.018 315 Q CA -0.584 55.215 55.803 -0.005 0.000 0.965 315 Q CB 1.856 30.594 28.738 0.000 0.000 1.232 315 Q HN 0.194 nan 8.270 nan 0.000 0.510 316 T N 1.929 116.478 114.554 -0.007 0.000 3.395 316 T HA 0.315 4.665 4.350 -0.000 0.000 0.330 316 T C -2.318 172.377 174.700 -0.008 0.000 1.076 316 T CA -0.871 61.223 62.100 -0.011 0.000 1.070 316 T CB 1.409 70.269 68.868 -0.014 0.000 1.119 316 T HN 0.507 nan 8.240 nan 0.000 0.462 317 P HA 0.574 nan 4.420 nan 0.000 0.288 317 P C -0.535 176.761 177.300 -0.007 0.000 1.291 317 P CA -0.203 62.890 63.100 -0.012 0.000 0.766 317 P CB 0.683 32.375 31.700 -0.012 0.000 1.242 318 T N -2.017 112.532 114.554 -0.009 0.000 2.889 318 T HA 0.360 4.710 4.350 -0.000 0.000 0.315 318 T C -0.765 173.934 174.700 -0.002 0.000 1.291 318 T CA -0.464 61.629 62.100 -0.012 0.000 1.028 318 T CB 0.805 69.652 68.868 -0.034 0.000 1.235 318 T HN 0.327 nan 8.240 nan 0.000 0.491 319 S N 2.170 117.881 115.700 0.018 0.000 2.584 319 S HA 0.748 5.218 4.470 -0.000 0.000 0.273 319 S C -0.466 174.138 174.600 0.007 0.000 1.311 319 S CA -0.602 57.632 58.200 0.056 0.000 1.034 319 S CB 0.363 63.684 63.200 0.202 0.000 0.939 319 S HN 0.652 nan 8.310 nan 0.000 0.513 320 I N 2.114 122.686 120.570 0.002 0.000 2.743 320 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 320 I C -0.892 175.197 176.117 -0.047 0.000 1.343 320 I CA -0.684 60.588 61.300 -0.046 0.000 1.038 320 I CB 1.699 39.662 38.000 -0.060 0.000 1.311 320 I HN 0.755 nan 8.210 nan 0.000 0.426 321 D N 5.039 125.373 120.400 -0.111 0.000 2.399 321 D HA 0.115 4.755 4.640 -0.000 0.000 0.288 321 D C -0.250 175.972 176.300 -0.130 0.000 1.197 321 D CA 0.198 54.147 54.000 -0.085 0.000 1.081 321 D CB 0.531 41.300 40.800 -0.052 0.000 1.139 321 D HN 0.634 nan 8.370 nan 0.000 0.554 322 D N -2.592 117.754 120.400 -0.089 0.000 2.562 322 D HA 0.049 4.689 4.640 -0.000 0.000 0.246 322 D C 0.106 176.511 176.300 0.175 0.000 1.347 322 D CA -0.650 53.396 54.000 0.077 0.000 0.800 322 D CB -1.107 39.868 40.800 0.292 0.000 1.111 322 D HN 0.483 nan 8.370 nan 0.000 0.508 323 F N 1.576 121.651 119.950 0.207 0.000 3.084 323 F HA -0.303 4.224 4.527 -0.000 0.000 0.286 323 F C 0.103 176.146 175.800 0.406 0.000 0.855 323 F CA 0.749 58.883 58.000 0.224 0.000 1.091 323 F CB -1.839 37.072 39.000 -0.149 0.000 1.177 323 F HN 0.010 nan 8.300 nan 0.000 0.542 324 D N -2.502 118.172 120.400 0.458 0.000 2.978 324 D HA -0.233 4.407 4.640 -0.000 0.000 0.205 324 D C 1.400 177.958 176.300 0.429 0.000 1.093 324 D CA 1.176 55.436 54.000 0.433 0.000 1.006 324 D CB -1.576 39.523 40.800 0.498 0.000 1.116 324 D HN 0.463 nan 8.370 nan 0.000 0.419 325 V N -0.325 119.790 119.914 0.336 0.000 2.324 325 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 325 V C 2.665 178.888 176.094 0.215 0.000 1.060 325 V CA 2.808 65.168 62.300 0.100 0.000 1.042 325 V CB -1.399 30.273 31.823 -0.250 0.000 0.650 325 V HN 0.397 nan 8.190 nan 0.000 0.450 326 S N 0.762 116.586 115.700 0.207 0.000 2.400 326 S HA -0.357 4.113 4.470 -0.000 0.000 0.234 326 S C 1.596 176.303 174.600 0.179 0.000 1.049 326 S CA 2.057 60.365 58.200 0.181 0.000 1.039 326 S CB -1.002 62.303 63.200 0.173 0.000 0.856 326 S HN 0.652 nan 8.310 nan 0.000 0.465 327 D N 0.639 121.191 120.400 0.253 0.000 2.219 327 D HA 0.075 4.715 4.640 -0.000 0.000 0.205 327 D C 1.303 177.649 176.300 0.077 0.000 0.970 327 D CA 0.804 54.898 54.000 0.157 0.000 0.851 327 D CB -0.326 40.570 40.800 0.159 0.000 0.943 327 D HN 0.521 nan 8.370 nan 0.000 0.488 328 F N 0.021 120.003 119.950 0.053 0.000 2.446 328 F HA 0.182 4.709 4.527 -0.000 0.000 0.292 328 F C 2.157 177.979 175.800 0.035 0.000 1.096 328 F CA 0.070 58.094 58.000 0.041 0.000 1.438 328 F CB -0.506 38.520 39.000 0.042 0.000 1.107 328 F HN -0.125 nan 8.300 nan 0.000 0.546 329 L N -0.386 120.974 121.223 0.229 0.000 2.191 329 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 329 L C 2.228 179.149 176.870 0.086 0.000 1.103 329 L CA 1.189 56.133 54.840 0.173 0.000 0.769 329 L CB -1.289 40.835 42.059 0.108 0.000 0.908 329 L HN 0.158 nan 8.230 nan 0.000 0.438 330 T N -0.421 114.140 114.554 0.013 0.000 2.527 330 T HA -0.352 3.998 4.350 -0.000 0.000 0.258 330 T C 1.898 176.572 174.700 -0.043 0.000 1.175 330 T CA 2.728 64.795 62.100 -0.055 0.000 1.168 330 T CB -0.975 67.859 68.868 -0.057 0.000 0.860 330 T HN 0.626 nan 8.240 nan 0.000 0.429 331 T N 1.417 115.968 114.554 -0.005 0.000 2.570 331 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 331 T C 1.646 176.374 174.700 0.046 0.000 1.071 331 T CA 1.790 63.890 62.100 0.000 0.000 1.172 331 T CB -1.173 67.690 68.868 -0.009 0.000 0.864 331 T HN 0.263 nan 8.240 nan 0.000 0.421 332 F N 2.510 122.431 119.950 -0.048 0.000 2.063 332 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 332 F C 2.172 177.951 175.800 -0.034 0.000 1.109 332 F CA 0.886 58.872 58.000 -0.024 0.000 1.212 332 F CB -0.836 38.180 39.000 0.027 0.000 0.973 332 F HN 0.110 nan 8.300 nan 0.000 0.480 333 L N -0.676 120.443 121.223 -0.172 0.000 1.990 333 L HA -0.307 4.033 4.340 -0.000 0.000 0.213 333 L C 2.628 179.299 176.870 -0.332 0.000 1.072 333 L CA 1.781 56.400 54.840 -0.368 0.000 0.755 333 L CB -1.204 40.593 42.059 -0.437 0.000 0.889 333 L HN 0.069 nan 8.230 nan 0.000 0.432 334 S N -0.908 114.658 115.700 -0.223 0.000 2.392 334 S HA -0.254 4.216 4.470 -0.000 0.000 0.232 334 S C 1.962 176.475 174.600 -0.144 0.000 1.041 334 S CA 1.342 59.440 58.200 -0.170 0.000 1.026 334 S CB -0.206 62.928 63.200 -0.109 0.000 0.845 334 S HN 0.411 nan 8.310 nan 0.000 0.465 335 Q N 0.472 120.192 119.800 -0.134 0.000 2.049 335 Q HA 0.082 4.422 4.340 -0.000 0.000 0.198 335 Q C 2.356 178.286 176.000 -0.118 0.000 0.971 335 Q CA 0.830 56.583 55.803 -0.083 0.000 0.833 335 Q CB -0.595 28.155 28.738 0.021 0.000 0.896 335 Q HN 0.507 nan 8.270 nan 0.000 0.434 336 L N 0.713 121.779 121.223 -0.261 0.000 2.081 336 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 336 L C 2.557 179.403 176.870 -0.040 0.000 1.080 336 L CA 1.221 55.953 54.840 -0.179 0.000 0.754 336 L CB -0.360 41.492 42.059 -0.344 0.000 0.893 336 L HN 0.189 nan 8.230 nan 0.000 0.433 337 R N -0.013 120.421 120.500 -0.110 0.000 2.090 337 R HA -0.006 4.334 4.340 -0.000 0.000 0.228 337 R C 2.222 178.503 176.300 -0.031 0.000 1.110 337 R CA 1.219 57.281 56.100 -0.063 0.000 0.973 337 R CB -0.600 29.604 30.300 -0.160 0.000 0.869 337 R HN 0.292 nan 8.270 nan 0.000 0.440 338 A N 1.235 124.022 122.820 -0.056 0.000 2.225 338 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 338 A C 1.708 179.271 177.584 -0.035 0.000 1.164 338 A CA 1.237 53.249 52.037 -0.043 0.000 0.710 338 A CB -0.543 18.427 19.000 -0.050 0.000 0.780 338 A HN 0.634 nan 8.150 nan 0.000 0.473 339 C N -5.052 114.233 119.300 -0.026 0.000 3.395 339 C HA 0.628 5.088 4.460 -0.000 0.000 0.264 339 C C 1.585 176.586 174.990 0.020 0.000 2.141 339 C CA -0.243 58.758 59.018 -0.028 0.000 1.689 339 C CB -0.523 27.158 27.740 -0.099 0.000 3.416 339 C HN 1.518 nan 8.230 nan 0.000 0.432 340 G N 1.592 110.423 108.800 0.051 0.000 2.343 340 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.264 340 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.264 340 G C 1.033 176.010 174.900 0.128 0.000 0.989 340 G CA 1.237 46.390 45.100 0.088 0.000 0.627 340 G HN 0.532 nan 8.290 nan 0.000 0.549 341 Q N -0.652 119.233 119.800 0.142 0.000 2.368 341 Q HA -0.083 4.256 4.340 -0.000 0.000 0.210 341 Q C 1.815 177.961 176.000 0.242 0.000 0.982 341 Q CA 1.593 57.515 55.803 0.199 0.000 0.884 341 Q CB -0.553 28.364 28.738 0.298 0.000 0.933 341 Q HN 0.810 nan 8.270 nan 0.000 0.460 342 Y N 2.060 122.416 120.300 0.093 0.000 2.096 342 Y HA -0.340 4.210 4.550 -0.000 0.000 0.276 342 Y C 1.749 177.771 175.900 0.204 0.000 1.209 342 Y CA 2.233 60.411 58.100 0.131 0.000 1.137 342 Y CB -0.193 38.316 38.460 0.082 0.000 0.956 342 Y HN 0.111 nan 8.280 nan 0.000 0.506 343 E N -0.078 120.068 120.200 -0.088 0.000 2.007 343 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 343 E C 2.128 178.689 176.600 -0.064 0.000 0.999 343 E CA 1.803 58.093 56.400 -0.183 0.000 0.811 343 E CB -0.623 29.030 29.700 -0.078 0.000 0.762 343 E HN 0.465 nan 8.360 nan 0.000 0.450 344 I N 0.384 120.962 120.570 0.013 0.000 2.145 344 I HA -0.275 3.895 4.170 -0.000 0.000 0.244 344 I C 2.151 178.265 176.117 -0.006 0.000 1.075 344 I CA 1.280 62.587 61.300 0.012 0.000 1.332 344 I CB -0.615 37.417 38.000 0.053 0.000 1.033 344 I HN 0.094 nan 8.210 nan 0.000 0.410 345 F N 0.741 120.657 119.950 -0.056 0.000 2.095 345 F HA -0.306 4.221 4.527 -0.000 0.000 0.298 345 F C 2.877 178.555 175.800 -0.205 0.000 1.104 345 F CA 1.950 59.878 58.000 -0.120 0.000 1.232 345 F CB -0.576 38.388 39.000 -0.060 0.000 0.987 345 F HN 0.083 nan 8.300 nan 0.000 0.475 346 S N -0.059 115.634 115.700 -0.011 0.000 2.359 346 S HA -0.264 4.206 4.470 -0.000 0.000 0.222 346 S C 2.008 176.504 174.600 -0.174 0.000 1.038 346 S CA 1.940 60.125 58.200 -0.025 0.000 1.051 346 S CB -0.800 62.455 63.200 0.091 0.000 0.944 346 S HN 0.505 nan 8.310 nan 0.000 0.433 347 D N 0.936 121.252 120.400 -0.140 0.000 2.190 347 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 347 D C 2.070 178.242 176.300 -0.213 0.000 0.992 347 D CA 1.333 55.250 54.000 -0.139 0.000 0.854 347 D CB -0.306 40.433 40.800 -0.100 0.000 0.936 347 D HN 0.551 nan 8.370 nan 0.000 0.462 348 A N 0.461 123.089 122.820 -0.320 0.000 2.014 348 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 348 A C 2.170 179.468 177.584 -0.476 0.000 1.163 348 A CA 0.771 52.572 52.037 -0.394 0.000 0.652 348 A CB -0.162 18.550 19.000 -0.480 0.000 0.808 348 A HN 0.094 nan 8.150 nan 0.000 0.449 349 M N -0.308 118.940 119.600 -0.588 0.000 2.193 349 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 349 M C 1.335 177.464 176.300 -0.285 0.000 1.071 349 M CA 1.474 56.453 55.300 -0.536 0.000 1.140 349 M CB -1.361 30.813 32.600 -0.709 0.000 1.369 349 M HN 0.350 nan 8.290 nan 0.000 0.423 350 D N 0.139 120.413 120.400 -0.209 0.000 2.149 350 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 350 D C 2.175 178.410 176.300 -0.107 0.000 0.990 350 D CA 0.944 54.864 54.000 -0.133 0.000 0.839 350 D CB -0.092 40.666 40.800 -0.069 0.000 0.948 350 D HN 0.235 nan 8.370 nan 0.000 0.460 351 Q N 0.024 119.735 119.800 -0.149 0.000 2.020 351 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 351 Q C 2.150 178.059 176.000 -0.152 0.000 0.982 351 Q CA 0.520 56.241 55.803 -0.137 0.000 0.838 351 Q CB -0.586 28.050 28.738 -0.169 0.000 0.899 351 Q HN 0.297 nan 8.270 nan 0.000 0.423 352 L N 0.831 121.926 121.223 -0.213 0.000 1.971 352 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 352 L C 2.047 178.829 176.870 -0.146 0.000 1.072 352 L CA 2.281 56.990 54.840 -0.218 0.000 0.758 352 L CB -1.440 40.449 42.059 -0.283 0.000 0.889 352 L HN 0.236 nan 8.230 nan 0.000 0.433 353 T N 0.778 115.259 114.554 -0.123 0.000 2.635 353 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 353 T C 1.723 176.427 174.700 0.006 0.000 1.040 353 T CA 1.708 63.773 62.100 -0.058 0.000 1.156 353 T CB -0.285 68.515 68.868 -0.112 0.000 0.863 353 T HN 0.362 nan 8.240 nan 0.000 0.430 354 N N 0.795 119.509 118.700 0.023 0.000 2.018 354 N HA -0.097 4.643 4.740 -0.000 0.000 0.196 354 N C 2.177 177.684 175.510 -0.006 0.000 1.043 354 N CA 1.394 54.470 53.050 0.043 0.000 0.856 354 N CB -0.926 37.577 38.487 0.025 0.000 1.042 354 N HN 0.240 nan 8.380 nan 0.000 0.423 355 S N 0.365 116.036 115.700 -0.048 0.000 2.402 355 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 355 S C 1.854 176.412 174.600 -0.069 0.000 1.030 355 S CA 0.807 58.967 58.200 -0.068 0.000 1.003 355 S CB -0.303 62.836 63.200 -0.103 0.000 0.813 355 S HN 0.281 nan 8.310 nan 0.000 0.477 356 L N 1.552 122.734 121.223 -0.070 0.000 1.988 356 L HA 0.083 4.423 4.340 -0.000 0.000 0.207 356 L C 2.024 178.905 176.870 0.019 0.000 1.071 356 L CA 1.746 56.542 54.840 -0.073 0.000 0.744 356 L CB -0.623 41.376 42.059 -0.099 0.000 0.893 356 L HN 0.362 nan 8.230 nan 0.000 0.433 357 I N -0.755 119.841 120.570 0.043 0.000 2.248 357 I HA -0.355 3.815 4.170 -0.000 0.000 0.248 357 I C 2.254 178.410 176.117 0.066 0.000 1.107 357 I CA 1.635 62.980 61.300 0.075 0.000 1.373 357 I CB -1.028 37.005 38.000 0.055 0.000 1.055 357 I HN 0.358 nan 8.210 nan 0.000 0.418 358 T N 1.400 115.965 114.554 0.019 0.000 2.544 358 T HA -0.207 4.143 4.350 -0.000 0.000 0.264 358 T C 1.650 176.344 174.700 -0.010 0.000 1.096 358 T CA 1.995 64.093 62.100 -0.002 0.000 1.181 358 T CB -0.526 68.327 68.868 -0.025 0.000 0.864 358 T HN 0.393 nan 8.240 nan 0.000 0.415 359 N N 0.461 119.130 118.700 -0.051 0.000 2.334 359 N HA -0.131 4.609 4.740 -0.000 0.000 0.187 359 N C 1.316 176.737 175.510 -0.149 0.000 1.016 359 N CA 1.123 54.105 53.050 -0.112 0.000 0.879 359 N CB -0.427 37.953 38.487 -0.179 0.000 0.965 359 N HN 0.545 nan 8.380 nan 0.000 0.438 360 Y N -0.131 120.145 120.300 -0.041 0.000 2.502 360 Y HA 0.221 4.771 4.550 -0.000 0.000 0.295 360 Y C 0.670 176.560 175.900 -0.017 0.000 1.193 360 Y CA -0.080 58.004 58.100 -0.027 0.000 1.295 360 Y CB 0.286 38.718 38.460 -0.048 0.000 1.059 360 Y HN -0.058 nan 8.280 nan 0.000 0.514 361 M N 0.352 120.004 119.600 0.086 0.000 2.204 361 M HA 0.188 4.668 4.480 -0.000 0.000 0.293 361 M C -1.621 174.694 176.300 0.024 0.000 0.994 361 M CA -0.741 54.593 55.300 0.057 0.000 0.925 361 M CB 1.207 33.832 32.600 0.041 0.000 1.577 361 M HN -0.144 nan 8.290 nan 0.000 0.439 362 D N 5.273 125.687 120.400 0.024 0.000 2.232 362 D HA 0.517 5.157 4.640 -0.000 0.000 0.242 362 D C -2.386 173.919 176.300 0.008 0.000 1.093 362 D CA -1.221 52.786 54.000 0.012 0.000 0.845 362 D CB 1.188 41.996 40.800 0.014 0.000 1.124 362 D HN 0.286 nan 8.370 nan 0.000 0.467 363 P HA 0.358 nan 4.420 nan 0.000 0.284 363 P C -2.512 174.785 177.300 -0.005 0.000 1.253 363 P CA -1.516 61.583 63.100 -0.002 0.000 0.800 363 P CB 0.434 32.132 31.700 -0.004 0.000 0.961 364 P HA 0.116 nan 4.420 nan 0.000 0.169 364 P C -0.946 176.345 177.300 -0.015 0.000 0.959 364 P CA 1.198 64.289 63.100 -0.015 0.000 1.293 364 P CB -0.710 30.979 31.700 -0.019 0.000 1.566 365 A N 2.538 125.350 122.820 -0.013 0.000 2.577 365 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 365 A C -0.379 177.196 177.584 -0.016 0.000 1.060 365 A CA -0.767 51.261 52.037 -0.016 0.000 0.697 365 A CB 0.858 19.849 19.000 -0.016 0.000 1.281 365 A HN 0.157 nan 8.150 nan 0.000 0.402 366 I N 3.321 123.879 120.570 -0.020 0.000 2.826 366 I HA 0.111 4.281 4.170 -0.000 0.000 0.295 366 I C -1.405 174.693 176.117 -0.032 0.000 1.213 366 I CA -0.482 60.803 61.300 -0.025 0.000 1.436 366 I CB 0.282 38.265 38.000 -0.028 0.000 1.348 366 I HN 0.502 nan 8.210 nan 0.000 0.570 367 P HA 0.228 nan 4.420 nan 0.000 0.274 367 P C -0.779 176.485 177.300 -0.060 0.000 1.231 367 P CA -0.500 62.573 63.100 -0.045 0.000 0.790 367 P CB 1.022 32.693 31.700 -0.049 0.000 0.951 368 A N 1.069 123.857 122.820 -0.052 0.000 2.371 368 A HA 0.527 4.847 4.320 -0.000 0.000 0.257 368 A C 1.277 178.820 177.584 -0.070 0.000 1.089 368 A CA 0.331 52.334 52.037 -0.056 0.000 0.794 368 A CB -0.803 18.172 19.000 -0.042 0.000 1.029 368 A HN 0.911 nan 8.150 nan 0.000 0.488 369 G N -0.290 108.464 108.800 -0.077 0.000 2.141 369 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.242 369 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.242 369 G C -0.102 174.720 174.900 -0.131 0.000 0.982 369 G CA 0.340 45.387 45.100 -0.088 0.000 0.662 369 G HN 1.557 nan 8.290 nan 0.000 0.527 370 L N 1.069 122.197 121.223 -0.160 0.000 2.255 370 L HA 0.827 5.167 4.340 -0.000 0.000 0.289 370 L C 0.182 176.870 176.870 -0.303 0.000 1.046 370 L CA -0.160 54.521 54.840 -0.265 0.000 0.816 370 L CB 0.810 42.705 42.059 -0.274 0.000 1.197 370 L HN 0.992 nan 8.230 nan 0.000 0.427 371 A N 5.063 127.673 122.820 -0.351 0.000 2.408 371 A HA 0.638 4.958 4.320 -0.000 0.000 0.295 371 A C -1.197 176.209 177.584 -0.297 0.000 1.040 371 A CA -0.459 51.422 52.037 -0.261 0.000 0.707 371 A CB 0.458 19.384 19.000 -0.123 0.000 1.235 371 A HN 0.514 nan 8.150 nan 0.000 0.418 372 F N 1.065 120.986 119.950 -0.048 0.000 2.399 372 F HA 0.365 4.892 4.527 -0.000 0.000 0.342 372 F C 1.578 177.345 175.800 -0.055 0.000 1.106 372 F CA 0.321 58.287 58.000 -0.058 0.000 1.196 372 F CB 1.818 40.782 39.000 -0.059 0.000 1.163 372 F HN 0.580 nan 8.300 nan 0.000 0.547 373 T N -0.298 114.340 114.554 0.140 0.000 3.060 373 T HA 0.082 4.432 4.350 -0.000 0.000 0.249 373 T C 0.064 174.777 174.700 0.021 0.000 1.079 373 T CA 0.217 62.347 62.100 0.050 0.000 1.013 373 T CB -0.104 68.774 68.868 0.016 0.000 0.975 373 T HN 0.546 nan 8.240 nan 0.000 0.518 374 S N 1.044 116.754 115.700 0.017 0.000 2.607 374 S HA 0.652 5.122 4.470 -0.000 0.000 0.273 374 S C -3.319 171.173 174.600 -0.179 0.000 1.148 374 S CA -1.710 56.431 58.200 -0.098 0.000 0.833 374 S CB 2.014 65.129 63.200 -0.140 0.000 1.130 374 S HN -0.105 nan 8.310 nan 0.000 0.470 375 P HA 0.097 nan 4.420 nan 0.000 0.274 375 P C 1.365 178.407 177.300 -0.429 0.000 1.237 375 P CA -0.531 62.363 63.100 -0.344 0.000 0.793 375 P CB 0.297 31.718 31.700 -0.464 0.000 0.977 376 W N 3.103 124.268 121.300 -0.225 0.000 2.303 376 W HA -0.233 4.427 4.660 -0.000 0.000 0.287 376 W C 0.952 177.515 176.519 0.075 0.000 1.213 376 W CA 1.111 58.395 57.345 -0.102 0.000 1.203 376 W CB -2.022 27.455 29.460 0.028 0.000 1.136 376 W HN 0.311 nan 8.180 nan 0.000 0.547 377 F N 0.575 119.969 119.950 -0.927 0.000 2.693 377 F HA 0.460 4.987 4.527 -0.000 0.000 0.303 377 F C 1.607 177.225 175.800 -0.304 0.000 1.097 377 F CA -0.609 56.860 58.000 -0.884 0.000 1.330 377 F CB -0.895 37.259 39.000 -1.411 0.000 1.067 377 F HN -0.295 nan 8.300 nan 0.000 0.565 378 R N -0.094 120.112 120.500 -0.490 0.000 2.694 378 R HA 0.161 4.501 4.340 -0.000 0.000 0.334 378 R C 1.077 177.365 176.300 -0.020 0.000 1.143 378 R CA -0.424 55.543 56.100 -0.221 0.000 1.073 378 R CB -0.748 29.337 30.300 -0.359 0.000 1.366 378 R HN 0.333 nan 8.270 nan 0.000 0.577 379 F N 0.971 120.874 119.950 -0.079 0.000 2.065 379 F HA -0.527 4.000 4.527 -0.000 0.000 0.286 379 F C 2.424 178.247 175.800 0.039 0.000 1.072 379 F CA 2.362 60.374 58.000 0.019 0.000 1.288 379 F CB -0.514 38.548 39.000 0.103 0.000 0.963 379 F HN 0.190 nan 8.300 nan 0.000 0.496 380 S N -0.479 115.415 115.700 0.323 0.000 2.393 380 S HA -0.356 4.114 4.470 -0.000 0.000 0.234 380 S C 1.870 176.484 174.600 0.024 0.000 1.064 380 S CA 2.196 60.506 58.200 0.183 0.000 1.088 380 S CB -0.564 62.705 63.200 0.115 0.000 0.939 380 S HN 0.721 nan 8.310 nan 0.000 0.448 381 E N 0.274 120.463 120.200 -0.018 0.000 2.028 381 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 381 E C 2.573 179.135 176.600 -0.063 0.000 0.984 381 E CA 0.810 57.186 56.400 -0.040 0.000 0.800 381 E CB -0.251 29.425 29.700 -0.040 0.000 0.758 381 E HN 0.458 nan 8.360 nan 0.000 0.448 382 R N 0.641 121.069 120.500 -0.119 0.000 2.170 382 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 382 R C 2.286 178.499 176.300 -0.146 0.000 1.145 382 R CA 1.088 57.141 56.100 -0.078 0.000 0.984 382 R CB -0.348 29.776 30.300 -0.294 0.000 0.869 382 R HN 0.143 nan 8.270 nan 0.000 0.455 383 A N 1.029 123.646 122.820 -0.340 0.000 1.930 383 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 383 A C 2.150 179.678 177.584 -0.094 0.000 1.175 383 A CA 1.091 52.968 52.037 -0.268 0.000 0.627 383 A CB -0.388 18.488 19.000 -0.207 0.000 0.815 383 A HN 0.229 nan 8.150 nan 0.000 0.443 384 R N -0.596 119.865 120.500 -0.066 0.000 2.070 384 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 384 R C 2.184 178.461 176.300 -0.038 0.000 1.137 384 R CA 2.115 58.193 56.100 -0.037 0.000 0.945 384 R CB -0.748 29.537 30.300 -0.025 0.000 0.845 384 R HN 0.457 nan 8.270 nan 0.000 0.430 385 T N 1.645 116.183 114.554 -0.028 0.000 2.624 385 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 385 T C 1.865 176.517 174.700 -0.080 0.000 1.041 385 T CA 1.905 63.974 62.100 -0.051 0.000 1.159 385 T CB -0.228 68.632 68.868 -0.014 0.000 0.863 385 T HN 0.240 nan 8.240 nan 0.000 0.434 386 I N 0.544 121.091 120.570 -0.039 0.000 2.252 386 I HA -0.054 4.116 4.170 -0.000 0.000 0.245 386 I C 1.592 177.676 176.117 -0.055 0.000 1.102 386 I CA 1.113 62.383 61.300 -0.049 0.000 1.385 386 I CB -0.361 37.636 38.000 -0.006 0.000 1.064 386 I HN 0.192 nan 8.210 nan 0.000 0.414 387 L N 1.028 122.223 121.223 -0.046 0.000 2.747 387 L HA 0.064 4.404 4.340 -0.000 0.000 0.248 387 L C 1.252 178.098 176.870 -0.040 0.000 1.191 387 L CA -0.063 54.754 54.840 -0.039 0.000 1.003 387 L CB -0.366 41.675 42.059 -0.029 0.000 1.235 387 L HN 0.207 nan 8.230 nan 0.000 0.426 388 A N -0.512 122.278 122.820 -0.051 0.000 2.671 388 A HA 0.341 4.661 4.320 -0.000 0.000 0.265 388 A C 0.485 178.035 177.584 -0.056 0.000 1.148 388 A CA -0.365 51.642 52.037 -0.049 0.000 0.977 388 A CB 0.433 19.402 19.000 -0.051 0.000 1.242 388 A HN 0.236 nan 8.150 nan 0.000 0.591 389 L N 1.418 122.604 121.223 -0.062 0.000 2.401 389 L HA 0.174 4.514 4.340 -0.000 0.000 0.283 389 L C 1.052 177.896 176.870 -0.044 0.000 1.151 389 L CA -0.195 54.607 54.840 -0.062 0.000 0.942 389 L CB 0.366 42.382 42.059 -0.071 0.000 1.283 389 L HN 0.422 nan 8.230 nan 0.000 0.442 390 Q N 1.589 121.366 119.800 -0.038 0.000 2.541 390 Q HA -0.097 4.243 4.340 -0.000 0.000 0.215 390 Q C 1.127 177.112 176.000 -0.024 0.000 0.977 390 Q CA 0.646 56.432 55.803 -0.028 0.000 0.934 390 Q CB 0.133 28.857 28.738 -0.024 0.000 0.988 390 Q HN 0.751 nan 8.270 nan 0.000 0.521 391 N N -0.647 118.036 118.700 -0.028 0.000 2.336 391 N HA 0.008 4.748 4.740 -0.000 0.000 0.189 391 N C 0.055 175.554 175.510 -0.019 0.000 1.113 391 N CA 0.186 53.222 53.050 -0.023 0.000 0.858 391 N CB 0.611 39.081 38.487 -0.027 0.000 0.970 391 N HN -0.088 nan 8.380 nan 0.000 0.471 392 V N 1.530 121.431 119.914 -0.021 0.000 2.495 392 V HA 0.110 4.230 4.120 -0.000 0.000 0.298 392 V C -0.129 175.958 176.094 -0.013 0.000 1.031 392 V CA -1.166 61.125 62.300 -0.015 0.000 0.871 392 V CB 1.753 33.564 31.823 -0.021 0.000 0.988 392 V HN 0.009 nan 8.190 nan 0.000 0.432 393 D N 2.384 122.782 120.400 -0.003 0.000 2.601 393 D HA -0.103 4.537 4.640 -0.000 0.000 0.229 393 D C 0.839 177.134 176.300 -0.009 0.000 1.140 393 D CA 0.250 54.249 54.000 -0.001 0.000 0.862 393 D CB 0.847 41.652 40.800 0.009 0.000 1.192 393 D HN 0.433 nan 8.370 nan 0.000 0.480 394 L N 4.541 125.759 121.223 -0.008 0.000 1.989 394 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 394 L C 1.784 178.644 176.870 -0.017 0.000 1.071 394 L CA 1.727 56.559 54.840 -0.013 0.000 0.749 394 L CB -0.804 41.251 42.059 -0.008 0.000 0.890 394 L HN 0.481 nan 8.230 nan 0.000 0.431 395 N N -0.045 118.650 118.700 -0.008 0.000 2.192 395 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 395 N C 1.956 177.447 175.510 -0.031 0.000 1.013 395 N CA 2.025 55.070 53.050 -0.009 0.000 0.863 395 N CB -0.276 38.218 38.487 0.011 0.000 0.990 395 N HN 0.486 nan 8.380 nan 0.000 0.430 396 I N 0.755 121.309 120.570 -0.027 0.000 2.439 396 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 396 I C 2.494 178.529 176.117 -0.136 0.000 1.139 396 I CA 0.580 61.845 61.300 -0.058 0.000 1.438 396 I CB -0.069 37.937 38.000 0.010 0.000 1.085 396 I HN 0.062 nan 8.210 nan 0.000 0.427 397 R N 1.023 121.472 120.500 -0.086 0.000 2.070 397 R HA -0.176 4.164 4.340 -0.000 0.000 0.233 397 R C 2.322 178.557 176.300 -0.107 0.000 1.137 397 R CA 1.567 57.613 56.100 -0.089 0.000 0.945 397 R CB -0.105 30.162 30.300 -0.054 0.000 0.845 397 R HN 0.285 nan 8.270 nan 0.000 0.430 398 K N 0.281 120.632 120.400 -0.081 0.000 2.001 398 K HA -0.203 4.117 4.320 -0.000 0.000 0.214 398 K C 2.092 178.616 176.600 -0.128 0.000 1.050 398 K CA 1.528 57.778 56.287 -0.062 0.000 0.934 398 K CB -0.378 32.103 32.500 -0.031 0.000 0.718 398 K HN -0.003 nan 8.250 nan 0.000 0.443 399 L N 1.376 122.473 121.223 -0.211 0.000 2.021 399 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 399 L C 2.240 178.772 176.870 -0.564 0.000 1.074 399 L CA 1.641 56.245 54.840 -0.395 0.000 0.760 399 L CB -0.460 41.338 42.059 -0.434 0.000 0.889 399 L HN 0.245 nan 8.230 nan 0.000 0.433 400 I N -1.721 118.500 120.570 -0.581 0.000 2.151 400 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 400 I C 2.362 178.396 176.117 -0.139 0.000 1.080 400 I CA 1.325 62.353 61.300 -0.453 0.000 1.339 400 I CB -0.462 37.364 38.000 -0.290 0.000 1.039 400 I HN 0.067 nan 8.210 nan 0.000 0.409 401 V N 0.882 120.768 119.914 -0.047 0.000 2.233 401 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 401 V C 2.600 178.879 176.094 0.309 0.000 1.050 401 V CA 1.899 64.290 62.300 0.152 0.000 1.010 401 V CB -0.835 31.079 31.823 0.153 0.000 0.637 401 V HN 0.373 nan 8.190 nan 0.000 0.444 402 R N -0.678 119.901 120.500 0.131 0.000 2.122 402 R HA -0.279 4.061 4.340 -0.000 0.000 0.236 402 R C 2.284 178.706 176.300 0.203 0.000 1.129 402 R CA 2.504 58.683 56.100 0.132 0.000 0.925 402 R CB -0.951 29.332 30.300 -0.029 0.000 0.850 402 R HN 0.702 nan 8.270 nan 0.000 0.431 403 H N 0.389 119.259 119.070 -0.332 0.000 2.289 403 H HA -0.145 4.411 4.556 -0.000 0.000 0.296 403 H C 2.301 177.768 175.328 0.230 0.000 1.091 403 H CA 1.871 57.817 56.048 -0.169 0.000 1.274 403 H CB -0.109 29.455 29.762 -0.329 0.000 1.364 403 H HN 0.122 nan 8.280 nan 0.000 0.490 404 L N -0.396 121.074 121.223 0.412 0.000 2.127 404 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 404 L C 2.249 179.448 176.870 0.548 0.000 1.089 404 L CA 1.494 56.583 54.840 0.415 0.000 0.757 404 L CB -0.297 41.955 42.059 0.322 0.000 0.899 404 L HN 0.493 nan 8.230 nan 0.000 0.434 405 W N -0.480 121.078 121.300 0.430 0.000 2.354 405 W HA -0.237 4.423 4.660 -0.000 0.000 0.315 405 W C 2.280 178.868 176.519 0.115 0.000 1.206 405 W CA 2.292 59.706 57.345 0.116 0.000 1.290 405 W CB -0.381 29.089 29.460 0.017 0.000 1.152 405 W HN -0.103 nan 8.180 nan 0.000 0.489 406 V N 1.189 121.446 119.914 0.572 0.000 2.324 406 V HA -0.374 3.746 4.120 -0.000 0.000 0.250 406 V C 2.219 178.418 176.094 0.174 0.000 1.060 406 V CA 1.885 64.427 62.300 0.403 0.000 1.042 406 V CB -1.063 31.059 31.823 0.498 0.000 0.650 406 V HN 0.196 nan 8.190 nan 0.000 0.450 407 I N 0.255 120.958 120.570 0.221 0.000 2.286 407 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 407 I C 2.512 178.659 176.117 0.051 0.000 1.115 407 I CA 1.941 63.292 61.300 0.085 0.000 1.392 407 I CB -1.740 36.310 38.000 0.083 0.000 1.065 407 I HN 0.362 nan 8.210 nan 0.000 0.418 408 T N 1.092 115.676 114.554 0.050 0.000 2.674 408 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 408 T C 2.129 176.771 174.700 -0.097 0.000 1.039 408 T CA 2.025 64.165 62.100 0.065 0.000 1.150 408 T CB -0.403 68.484 68.868 0.032 0.000 0.864 408 T HN 0.549 nan 8.240 nan 0.000 0.427 409 S N 2.433 117.875 115.700 -0.429 0.000 2.365 409 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 409 S C 2.124 176.653 174.600 -0.118 0.000 1.039 409 S CA 1.171 59.089 58.200 -0.470 0.000 1.033 409 S CB -1.117 61.605 63.200 -0.797 0.000 0.887 409 S HN 0.437 nan 8.310 nan 0.000 0.447 410 L N 0.901 122.120 121.223 -0.006 0.000 2.013 410 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 410 L C 2.746 179.678 176.870 0.104 0.000 1.073 410 L CA 1.739 56.660 54.840 0.136 0.000 0.753 410 L CB -0.701 41.384 42.059 0.044 0.000 0.890 410 L HN 0.355 nan 8.230 nan 0.000 0.432 411 I N -0.209 120.428 120.570 0.112 0.000 2.208 411 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 411 I C 2.781 178.811 176.117 -0.145 0.000 1.097 411 I CA 1.224 62.590 61.300 0.109 0.000 1.363 411 I CB -0.473 37.637 38.000 0.183 0.000 1.051 411 I HN 0.233 nan 8.210 nan 0.000 0.413 412 A N 0.220 123.035 122.820 -0.009 0.000 1.972 412 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 412 A C 2.376 179.953 177.584 -0.012 0.000 1.169 412 A CA 1.716 53.769 52.037 0.027 0.000 0.635 412 A CB -0.691 18.358 19.000 0.082 0.000 0.810 412 A HN 0.277 nan 8.150 nan 0.000 0.446 413 V N -1.934 117.975 119.914 -0.007 0.000 2.331 413 V HA -0.089 4.031 4.120 -0.000 0.000 0.242 413 V C 2.161 178.155 176.094 -0.167 0.000 1.034 413 V CA 1.554 63.833 62.300 -0.034 0.000 1.027 413 V CB -0.910 30.924 31.823 0.019 0.000 0.667 413 V HN 0.519 nan 8.190 nan 0.000 0.457 414 F N 1.508 121.208 119.950 -0.417 0.000 2.367 414 F HA 0.128 4.655 4.527 -0.000 0.000 0.298 414 F C 2.315 177.835 175.800 -0.466 0.000 1.094 414 F CA 1.179 58.815 58.000 -0.607 0.000 1.409 414 F CB -0.972 37.147 39.000 -1.469 0.000 1.064 414 F HN 0.189 nan 8.300 nan 0.000 0.528 415 G N -0.283 108.319 108.800 -0.330 0.000 2.430 415 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 415 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 415 G C 1.708 176.674 174.900 0.111 0.000 1.146 415 G CA 0.177 45.127 45.100 -0.250 0.000 0.793 415 G HN 0.187 nan 8.290 nan 0.000 0.537 416 R N -0.503 119.979 120.500 -0.030 0.000 2.234 416 R HA -0.247 4.093 4.340 -0.000 0.000 0.262 416 R C 1.829 178.013 176.300 -0.192 0.000 1.150 416 R CA 2.028 58.055 56.100 -0.123 0.000 0.981 416 R CB -0.634 29.407 30.300 -0.432 0.000 0.899 416 R HN 0.567 nan 8.270 nan 0.000 0.458 417 Y N -1.500 118.914 120.300 0.190 0.000 2.490 417 Y HA 0.007 4.557 4.550 -0.000 0.000 0.281 417 Y C 0.293 176.334 175.900 0.235 0.000 1.174 417 Y CA -0.729 57.474 58.100 0.172 0.000 1.295 417 Y CB -0.164 38.365 38.460 0.115 0.000 1.062 417 Y HN 0.038 nan 8.280 nan 0.000 0.522 418 Y N 3.185 123.624 120.300 0.231 0.000 2.815 418 Y HA -0.049 4.501 4.550 -0.000 0.000 0.346 418 Y C 0.632 176.617 175.900 0.141 0.000 1.267 418 Y CA -0.366 57.862 58.100 0.213 0.000 1.604 418 Y CB -0.106 38.522 38.460 0.280 0.000 1.218 418 Y HN 0.118 nan 8.280 nan 0.000 0.527 419 R N 8.953 129.409 120.500 -0.072 0.000 2.629 419 R HA 0.332 4.672 4.340 -0.000 0.000 0.277 419 R C -3.007 173.140 176.300 -0.256 0.000 1.637 419 R CA -1.885 54.103 56.100 -0.185 0.000 1.663 419 R CB 0.510 30.792 30.300 -0.030 0.000 1.228 419 R HN 0.376 nan 8.270 nan 0.000 0.632 420 P HA 0.112 nan 4.420 nan 0.000 0.266 420 P C -1.162 176.046 177.300 -0.153 0.000 1.215 420 P CA 0.164 63.067 63.100 -0.329 0.000 0.763 420 P CB 0.871 32.272 31.700 -0.498 0.000 0.806 421 N N 0.000 118.668 118.700 -0.054 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.035 53.050 -0.024 0.000 0.885 421 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667