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 1uqw_1_A DATA FIRST_RESID 3 DATA SEQUENCE AAKDVVVAVG SNFTTLDPYD ANDTLSQAVA KSFYQGLFGL DKEXKLKNVL DATA SEQUENCE AESYTVSDDG ITYTVKLREG IKFQDGTDFN AAAVKANLDR ASDPANHLKR DATA SEQUENCE HNLYKNIAKT EAIDPTTVKI TLKQPFSAFI NILAHPATAX ISPAALEKYG DATA SEQUENCE KEIGFYPVGT GPYELDTWNQ TDFVKVKKFA GYWQPGLPKL DSITWRPVAD DATA SEQUENCE NNTRAAXLQT GEAQFAFPIP YEQATLLEKN KNIELXASPS IXQRYISXNV DATA SEQUENCE TQKPFDNPKV REALNYAINR PALVKVAFAG YATPATGVVP PSIAYAQSYK DATA SEQUENCE PWPYDPVKAR ELLKEAGYPN GFSTTLWSSH NHSTAQKVLQ FTQQQLAQVG DATA SEQUENCE IKAQVTAXDA GQRAAEVEGK GQKESGVRXF YTGWSASTGE ADWALSPLFA DATA SEQUENCE SQNWPPTLFN TAFYSNKQVD DFLAQALKTN DPAEKTRLYK AAQDIIWQES DATA SEQUENCE PWIPLVVEKL VSAHSKNLTG FWIXPDTGFS FEDADLQ 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.572 177.584 -0.020 0.000 1.274 3 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 3 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 4 A N 1.972 124.779 122.820 -0.021 0.000 2.354 4 A HA 0.585 4.901 4.320 -0.006 0.000 0.281 4 A C 0.101 177.665 177.584 -0.033 0.000 1.174 4 A CA -0.009 52.014 52.037 -0.023 0.000 0.828 4 A CB -0.176 18.810 19.000 -0.023 0.000 1.099 4 A HN 0.563 nan 8.150 nan 0.000 0.516 5 K N 3.304 123.685 120.400 -0.032 0.000 2.357 5 K HA 0.249 4.565 4.320 -0.006 0.000 0.251 5 K C -1.340 175.225 176.600 -0.058 0.000 1.069 5 K CA -0.291 55.969 56.287 -0.045 0.000 0.994 5 K CB 0.924 33.404 32.500 -0.034 0.000 1.411 5 K HN 0.616 nan 8.250 nan 0.000 0.450 6 D N 3.191 123.539 120.400 -0.086 0.000 2.461 6 D HA 0.073 4.710 4.640 -0.006 0.000 0.240 6 D C -0.304 175.890 176.300 -0.177 0.000 1.094 6 D CA -0.310 53.617 54.000 -0.120 0.000 0.868 6 D CB 1.959 42.695 40.800 -0.107 0.000 1.062 6 D HN 0.224 nan 8.370 nan 0.000 0.530 7 V N 0.846 120.615 119.914 -0.242 0.000 2.617 7 V HA 0.601 4.717 4.120 -0.006 0.000 0.298 7 V C -0.527 175.317 176.094 -0.418 0.000 1.048 7 V CA -0.299 61.808 62.300 -0.322 0.000 0.964 7 V CB 1.905 33.498 31.823 -0.383 0.000 1.004 7 V HN 0.148 nan 8.190 nan 0.000 0.466 8 V N 5.480 125.160 119.914 -0.389 0.000 2.448 8 V HA 0.492 4.609 4.120 -0.006 0.000 0.295 8 V C -0.188 175.646 176.094 -0.432 0.000 1.025 8 V CA -0.475 61.588 62.300 -0.395 0.000 0.859 8 V CB 1.752 33.416 31.823 -0.266 0.000 0.988 8 V HN 0.827 nan 8.190 nan 0.000 0.431 9 V N 4.109 123.707 119.914 -0.526 0.000 2.370 9 V HA 0.661 4.778 4.120 -0.006 0.000 0.283 9 V C 0.488 176.496 176.094 -0.143 0.000 1.023 9 V CA -0.577 61.452 62.300 -0.452 0.000 0.857 9 V CB 1.639 32.925 31.823 -0.895 0.000 0.985 9 V HN 0.960 nan 8.190 nan 0.000 0.443 10 A N 5.766 128.562 122.820 -0.040 0.000 2.316 10 A HA 0.701 5.017 4.320 -0.006 0.000 0.311 10 A C -0.000 177.661 177.584 0.128 0.000 1.339 10 A CA -0.370 51.685 52.037 0.029 0.000 0.960 10 A CB 0.424 19.414 19.000 -0.016 0.000 1.152 10 A HN 1.077 nan 8.150 nan 0.000 0.547 11 V N 1.030 121.056 119.914 0.186 0.000 3.302 11 V HA 0.845 4.961 4.120 -0.006 0.000 0.316 11 V C 1.207 177.362 176.094 0.101 0.000 1.111 11 V CA 0.160 62.616 62.300 0.259 0.000 1.029 11 V CB 1.000 33.065 31.823 0.403 0.000 1.170 11 V HN 0.748 nan 8.190 nan 0.000 0.452 12 G N -0.035 108.814 108.800 0.081 0.000 2.453 12 G HA2 0.314 4.270 3.960 -0.006 0.000 0.215 12 G HA3 0.314 4.270 3.960 -0.006 0.000 0.215 12 G C 0.548 175.404 174.900 -0.072 0.000 1.147 12 G CA 0.858 45.936 45.100 -0.037 0.000 0.802 12 G HN 0.880 nan 8.290 nan 0.000 0.535 13 S N -0.899 114.736 115.700 -0.108 0.000 2.840 13 S HA 0.433 4.900 4.470 -0.006 0.000 0.307 13 S C -0.921 173.490 174.600 -0.316 0.000 1.180 13 S CA -0.903 57.207 58.200 -0.150 0.000 0.846 13 S CB 1.201 64.342 63.200 -0.099 0.000 1.233 13 S HN 0.132 nan 8.310 nan 0.000 0.548 14 N N 0.057 118.608 118.700 -0.248 0.000 2.445 14 N HA 0.481 5.218 4.740 -0.006 0.000 0.264 14 N C -1.208 174.099 175.510 -0.337 0.000 1.227 14 N CA 0.062 52.927 53.050 -0.307 0.000 0.963 14 N CB 0.246 38.695 38.487 -0.063 0.000 1.188 14 N HN 0.391 nan 8.380 nan 0.000 0.491 15 F N -0.540 119.507 119.950 0.163 0.000 2.379 15 F HA 0.182 4.705 4.527 -0.006 0.000 0.332 15 F C 2.065 177.972 175.800 0.178 0.000 1.096 15 F CA -0.639 57.428 58.000 0.112 0.000 1.105 15 F CB 0.971 39.963 39.000 -0.013 0.000 1.189 15 F HN 0.479 nan 8.300 nan 0.000 0.515 16 T N -2.682 112.041 114.554 0.280 0.000 2.818 16 T HA 0.113 4.459 4.350 -0.006 0.000 0.246 16 T C 0.613 175.431 174.700 0.197 0.000 1.036 16 T CA 0.851 63.065 62.100 0.190 0.000 1.160 16 T CB 0.104 69.037 68.868 0.109 0.000 0.869 16 T HN 0.606 nan 8.240 nan 0.000 0.419 17 T N -0.713 113.913 114.554 0.120 0.000 2.853 17 T HA 0.566 4.912 4.350 -0.006 0.000 0.311 17 T C -0.701 173.955 174.700 -0.073 0.000 1.307 17 T CA -0.835 61.280 62.100 0.025 0.000 1.019 17 T CB 1.517 70.356 68.868 -0.047 0.000 1.264 17 T HN 0.218 nan 8.240 nan 0.000 0.497 18 L N 1.816 122.951 121.223 -0.146 0.000 2.700 18 L HA 0.373 4.710 4.340 -0.006 0.000 0.234 18 L C 0.221 177.110 176.870 0.033 0.000 1.156 18 L CA 0.004 54.753 54.840 -0.153 0.000 0.946 18 L CB 0.211 42.076 42.059 -0.325 0.000 1.216 18 L HN 0.559 nan 8.230 nan 0.000 0.493 19 D N 0.394 120.805 120.400 0.018 0.000 2.467 19 D HA 0.200 4.836 4.640 -0.006 0.000 0.220 19 D C -1.694 174.628 176.300 0.037 0.000 1.103 19 D CA -2.248 51.790 54.000 0.064 0.000 0.886 19 D CB 1.608 42.430 40.800 0.037 0.000 1.025 19 D HN -0.180 nan 8.370 nan 0.000 0.514 20 P HA -0.223 nan 4.420 nan 0.000 0.217 20 P C 0.768 177.986 177.300 -0.136 0.000 1.158 20 P CA 1.399 64.430 63.100 -0.116 0.000 0.887 20 P CB -0.070 31.473 31.700 -0.262 0.000 0.792 21 Y N -1.446 118.822 120.300 -0.053 0.000 2.403 21 Y HA -0.141 4.405 4.550 -0.006 0.000 0.291 21 Y C 1.737 177.631 175.900 -0.009 0.000 1.143 21 Y CA 1.186 59.262 58.100 -0.040 0.000 1.257 21 Y CB -0.696 37.686 38.460 -0.129 0.000 0.984 21 Y HN -0.030 nan 8.280 nan 0.000 0.550 22 D N -0.138 120.333 120.400 0.118 0.000 2.463 22 D HA 0.334 4.970 4.640 -0.006 0.000 0.224 22 D C -0.553 175.778 176.300 0.053 0.000 1.174 22 D CA 0.032 54.078 54.000 0.076 0.000 0.829 22 D CB -0.131 40.697 40.800 0.047 0.000 0.993 22 D HN 0.141 nan 8.370 nan 0.000 0.497 23 A N 0.066 122.911 122.820 0.043 0.000 2.371 23 A HA 0.510 4.826 4.320 -0.006 0.000 0.311 23 A C 0.557 178.161 177.584 0.033 0.000 1.068 23 A CA -0.653 51.406 52.037 0.037 0.000 0.744 23 A CB 1.080 20.099 19.000 0.031 0.000 1.239 23 A HN 0.013 nan 8.150 nan 0.000 0.435 24 N N 0.793 119.513 118.700 0.033 0.000 2.254 24 N HA 0.029 4.766 4.740 -0.006 0.000 0.190 24 N C -0.668 174.852 175.510 0.016 0.000 1.107 24 N CA 0.297 53.359 53.050 0.020 0.000 0.869 24 N CB 0.615 39.114 38.487 0.019 0.000 0.983 24 N HN 0.870 nan 8.380 nan 0.000 0.487 25 D N -0.257 120.160 120.400 0.028 0.000 2.193 25 D HA 0.147 4.783 4.640 -0.006 0.000 0.244 25 D C 0.512 176.831 176.300 0.031 0.000 1.064 25 D CA -0.201 53.815 54.000 0.027 0.000 0.845 25 D CB 1.658 42.483 40.800 0.041 0.000 1.148 25 D HN -0.218 nan 8.370 nan 0.000 0.464 26 T N 1.713 116.275 114.554 0.013 0.000 2.720 26 T HA -0.181 4.165 4.350 -0.006 0.000 0.268 26 T C 1.765 176.467 174.700 0.005 0.000 1.037 26 T CA 0.768 62.861 62.100 -0.012 0.000 1.144 26 T CB -0.223 68.616 68.868 -0.049 0.000 0.864 26 T HN 0.357 nan 8.240 nan 0.000 0.444 27 L N 1.719 122.979 121.223 0.061 0.000 1.976 27 L HA -0.188 4.148 4.340 -0.006 0.000 0.223 27 L C 2.449 179.415 176.870 0.159 0.000 1.081 27 L CA 2.045 56.977 54.840 0.154 0.000 0.784 27 L CB -1.265 40.923 42.059 0.215 0.000 0.896 27 L HN 0.144 nan 8.230 nan 0.000 0.438 28 S N -0.896 114.913 115.700 0.182 0.000 2.387 28 S HA -0.273 4.194 4.470 -0.006 0.000 0.230 28 S C 1.827 176.396 174.600 -0.052 0.000 1.035 28 S CA 1.650 59.911 58.200 0.103 0.000 1.014 28 S CB -0.378 62.896 63.200 0.124 0.000 0.836 28 S HN 0.601 nan 8.310 nan 0.000 0.466 29 Q N 0.580 120.371 119.800 -0.014 0.000 2.079 29 Q HA -0.015 4.321 4.340 -0.006 0.000 0.200 29 Q C 2.558 178.525 176.000 -0.055 0.000 0.974 29 Q CA 1.325 57.112 55.803 -0.026 0.000 0.840 29 Q CB -0.366 28.364 28.738 -0.013 0.000 0.898 29 Q HN 0.610 nan 8.270 nan 0.000 0.430 30 A N 0.230 123.013 122.820 -0.062 0.000 1.902 30 A HA -0.141 4.175 4.320 -0.006 0.000 0.217 30 A C 2.295 179.782 177.584 -0.162 0.000 1.181 30 A CA 1.315 53.333 52.037 -0.031 0.000 0.623 30 A CB -0.635 18.355 19.000 -0.016 0.000 0.818 30 A HN 0.219 nan 8.150 nan 0.000 0.443 31 V N -0.330 119.304 119.914 -0.467 0.000 2.379 31 V HA -0.169 3.947 4.120 -0.006 0.000 0.245 31 V C 2.948 178.584 176.094 -0.765 0.000 1.044 31 V CA 1.687 63.297 62.300 -1.150 0.000 1.036 31 V CB -0.961 29.999 31.823 -1.439 0.000 0.664 31 V HN 0.593 nan 8.190 nan 0.000 0.453 32 A N -0.661 121.946 122.820 -0.355 0.000 2.178 32 A HA -0.225 4.092 4.320 -0.006 0.000 0.218 32 A C 2.183 179.783 177.584 0.026 0.000 1.157 32 A CA 1.635 53.688 52.037 0.027 0.000 0.689 32 A CB -0.538 18.590 19.000 0.213 0.000 0.787 32 A HN 0.522 nan 8.150 nan 0.000 0.465 33 K N -0.014 120.351 120.400 -0.057 0.000 2.504 33 K HA -0.020 4.296 4.320 -0.006 0.000 0.195 33 K C 1.681 178.273 176.600 -0.013 0.000 1.036 33 K CA 0.884 57.193 56.287 0.036 0.000 0.984 33 K CB -0.097 32.440 32.500 0.061 0.000 0.788 33 K HN 0.460 nan 8.250 nan 0.000 0.488 34 S N 0.350 115.899 115.700 -0.251 0.000 2.368 34 S HA -0.107 4.359 4.470 -0.006 0.000 0.225 34 S C 1.104 175.546 174.600 -0.265 0.000 1.030 34 S CA 1.241 59.282 58.200 -0.265 0.000 0.999 34 S CB -0.135 62.581 63.200 -0.806 0.000 0.844 34 S HN 0.427 nan 8.310 nan 0.000 0.459 35 F N -1.648 118.268 119.950 -0.057 0.000 2.704 35 F HA 0.477 5.000 4.527 -0.006 0.000 0.304 35 F C 0.330 176.005 175.800 -0.208 0.000 1.094 35 F CA -1.422 56.461 58.000 -0.194 0.000 1.275 35 F CB -0.543 38.197 39.000 -0.434 0.000 1.073 35 F HN 0.045 nan 8.300 nan 0.000 0.586 36 Y N 1.146 121.620 120.300 0.290 0.000 2.468 36 Y HA 0.629 5.175 4.550 -0.006 0.000 0.342 36 Y C -0.017 175.947 175.900 0.107 0.000 1.021 36 Y CA -1.120 57.098 58.100 0.197 0.000 1.079 36 Y CB 1.635 40.196 38.460 0.169 0.000 1.226 36 Y HN -0.126 nan 8.280 nan 0.000 0.460 37 Q N 0.812 120.779 119.800 0.279 0.000 2.451 37 Q HA 0.629 4.965 4.340 -0.006 0.000 0.281 37 Q C -0.608 175.415 176.000 0.039 0.000 1.099 37 Q CA -1.082 54.794 55.803 0.122 0.000 0.806 37 Q CB 2.937 31.742 28.738 0.111 0.000 1.419 37 Q HN 0.859 nan 8.270 nan 0.000 0.427 38 G N -0.017 108.785 108.800 0.003 0.000 2.735 38 G HA2 0.451 4.408 3.960 -0.006 0.000 0.301 38 G HA3 0.451 4.408 3.960 -0.006 0.000 0.301 38 G C 0.438 175.299 174.900 -0.065 0.000 1.279 38 G CA -0.723 44.376 45.100 -0.001 0.000 1.019 38 G HN 0.579 nan 8.290 nan 0.000 0.497 39 L N -1.243 119.965 121.223 -0.025 0.000 2.046 39 L HA 0.091 4.428 4.340 -0.006 0.000 0.208 39 L C 0.458 176.982 176.870 -0.576 0.000 1.077 39 L CA 1.185 55.894 54.840 -0.219 0.000 0.747 39 L CB -0.415 41.645 42.059 0.000 0.000 0.896 39 L HN 0.276 nan 8.230 nan 0.000 0.432 40 F N -1.764 118.170 119.950 -0.027 0.000 2.764 40 F HA 0.739 5.262 4.527 -0.006 0.000 0.347 40 F C 0.488 176.268 175.800 -0.033 0.000 1.151 40 F CA -0.699 57.286 58.000 -0.024 0.000 1.021 40 F CB 1.251 40.221 39.000 -0.049 0.000 1.438 40 F HN -0.230 nan 8.300 nan 0.000 0.516 41 G N -0.149 108.755 108.800 0.174 0.000 2.506 41 G HA2 0.588 4.544 3.960 -0.006 0.000 0.292 41 G HA3 0.588 4.544 3.960 -0.006 0.000 0.292 41 G C -2.443 172.474 174.900 0.028 0.000 1.425 41 G CA -0.887 44.246 45.100 0.056 0.000 0.788 41 G HN 0.551 nan 8.290 nan 0.000 0.490 42 L N 1.216 122.422 121.223 -0.028 0.000 2.346 42 L HA 0.438 4.774 4.340 -0.006 0.000 0.274 42 L C -0.041 176.790 176.870 -0.065 0.000 1.007 42 L CA -1.125 53.686 54.840 -0.047 0.000 0.818 42 L CB 1.943 43.957 42.059 -0.075 0.000 1.284 42 L HN 0.831 nan 8.230 nan 0.000 0.424 43 D N 1.719 122.076 120.400 -0.073 0.000 2.425 43 D HA 0.015 4.652 4.640 -0.006 0.000 0.274 43 D C 0.724 176.947 176.300 -0.127 0.000 1.242 43 D CA -0.480 53.460 54.000 -0.101 0.000 1.060 43 D CB 0.494 41.226 40.800 -0.112 0.000 1.112 43 D HN 0.557 nan 8.370 nan 0.000 0.561 44 K N -1.229 119.062 120.400 -0.182 0.000 2.504 44 K HA -0.000 4.316 4.320 -0.006 0.000 0.195 44 K C -0.075 176.421 176.600 -0.172 0.000 1.036 44 K CA 0.416 56.587 56.287 -0.194 0.000 0.984 44 K CB -0.003 32.301 32.500 -0.327 0.000 0.788 44 K HN 0.245 nan 8.250 nan 0.000 0.488 48 L N 2.850 124.062 121.223 -0.018 0.000 2.453 48 L HA 0.321 4.657 4.340 -0.006 0.000 0.272 48 L C -0.761 176.157 176.870 0.080 0.000 1.182 48 L CA 0.902 55.763 54.840 0.034 0.000 0.858 48 L CB 0.033 42.114 42.059 0.038 0.000 1.120 48 L HN 0.593 nan 8.230 nan 0.000 0.474 49 K N 3.843 124.327 120.400 0.138 0.000 2.508 49 K HA 0.431 4.747 4.320 -0.006 0.000 0.260 49 K C -1.069 175.672 176.600 0.235 0.000 0.949 49 K CA -0.974 55.399 56.287 0.143 0.000 0.834 49 K CB 1.831 34.373 32.500 0.069 0.000 1.365 49 K HN 0.461 nan 8.250 nan 0.000 0.437 50 N N 1.216 120.014 118.700 0.163 0.000 2.434 50 N HA 0.200 4.936 4.740 -0.006 0.000 0.272 50 N C 0.100 175.565 175.510 -0.075 0.000 1.040 50 N CA -0.226 52.821 53.050 -0.005 0.000 0.956 50 N CB 1.758 40.260 38.487 0.025 0.000 1.108 50 N HN 0.277 nan 8.380 nan 0.000 0.481 51 V N 1.636 121.424 119.914 -0.210 0.000 3.654 51 V HA 0.139 4.255 4.120 -0.006 0.000 0.204 51 V C 1.984 177.969 176.094 -0.181 0.000 1.135 51 V CA 0.043 62.297 62.300 -0.077 0.000 1.368 51 V CB -0.569 31.231 31.823 -0.039 0.000 1.519 51 V HN 0.481 nan 8.190 nan 0.000 0.496 52 L N 0.676 121.714 121.223 -0.309 0.000 2.395 52 L HA 0.248 4.584 4.340 -0.006 0.000 0.218 52 L C 1.115 177.817 176.870 -0.279 0.000 1.130 52 L CA 0.478 55.043 54.840 -0.458 0.000 0.826 52 L CB -0.260 41.413 42.059 -0.645 0.000 0.941 52 L HN 0.399 nan 8.230 nan 0.000 0.451 53 A N -0.267 122.332 122.820 -0.368 0.000 2.309 53 A HA 0.169 4.485 4.320 -0.006 0.000 0.298 53 A C 1.018 178.472 177.584 -0.218 0.000 1.165 53 A CA -0.411 51.422 52.037 -0.340 0.000 0.821 53 A CB 1.013 19.546 19.000 -0.779 0.000 1.102 53 A HN 0.233 nan 8.150 nan 0.000 0.500 54 E N 1.070 121.227 120.200 -0.073 0.000 2.060 54 E HA 0.054 4.400 4.350 -0.006 0.000 0.189 54 E C 0.600 177.240 176.600 0.066 0.000 0.974 54 E CA 1.197 57.592 56.400 -0.008 0.000 0.808 54 E CB 0.127 29.831 29.700 0.007 0.000 0.768 54 E HN 0.882 nan 8.360 nan 0.000 0.453 55 S N -2.057 113.727 115.700 0.141 0.000 2.655 55 S HA 0.416 4.883 4.470 -0.006 0.000 0.266 55 S C -1.380 173.462 174.600 0.404 0.000 1.149 55 S CA -0.743 57.608 58.200 0.251 0.000 0.818 55 S CB 0.985 64.258 63.200 0.123 0.000 1.130 55 S HN 0.317 nan 8.310 nan 0.000 0.476 56 Y N -1.395 119.052 120.300 0.246 0.000 2.638 56 Y HA 0.852 5.401 4.550 -0.002 0.000 0.335 56 Y C -1.089 174.902 175.900 0.153 0.000 1.155 56 Y CA -0.781 57.465 58.100 0.244 0.000 1.046 56 Y CB 1.363 40.049 38.460 0.376 0.000 1.303 56 Y HN 0.819 nan 8.280 nan 0.000 0.460 57 T N 2.164 116.846 114.554 0.214 0.000 2.906 57 T HA 0.649 4.995 4.350 -0.006 0.000 0.295 57 T C -1.912 172.854 174.700 0.110 0.000 1.061 57 T CA -0.695 61.425 62.100 0.034 0.000 1.000 57 T CB 1.828 70.711 68.868 0.025 0.000 1.103 57 T HN 0.847 nan 8.240 nan 0.000 0.486 58 V N 3.126 123.013 119.914 -0.044 0.000 2.686 58 V HA 0.693 4.810 4.120 -0.006 0.000 0.306 58 V C -0.053 175.952 176.094 -0.148 0.000 1.065 58 V CA -0.634 61.541 62.300 -0.208 0.000 0.894 58 V CB 2.151 33.729 31.823 -0.409 0.000 1.004 58 V HN 1.096 nan 8.190 nan 0.000 0.424 59 S N 3.770 119.385 115.700 -0.142 0.000 2.579 59 S HA 0.178 4.645 4.470 -0.006 0.000 0.275 59 S C 0.648 175.201 174.600 -0.078 0.000 1.345 59 S CA -0.065 58.087 58.200 -0.080 0.000 1.031 59 S CB 0.824 63.992 63.200 -0.054 0.000 0.892 59 S HN 0.785 nan 8.310 nan 0.000 0.529 60 D N 0.622 120.993 120.400 -0.048 0.000 2.309 60 D HA -0.102 4.534 4.640 -0.006 0.000 0.212 60 D C 1.016 177.298 176.300 -0.029 0.000 0.968 60 D CA 1.027 55.006 54.000 -0.036 0.000 0.882 60 D CB -0.360 40.426 40.800 -0.024 0.000 0.918 60 D HN 0.779 nan 8.370 nan 0.000 0.503 61 D N -0.141 120.241 120.400 -0.030 0.000 2.371 61 D HA -0.020 4.616 4.640 -0.006 0.000 0.221 61 D C 1.725 178.016 176.300 -0.014 0.000 0.986 61 D CA 1.022 55.012 54.000 -0.017 0.000 0.899 61 D CB -0.151 40.641 40.800 -0.013 0.000 0.902 61 D HN 0.205 nan 8.370 nan 0.000 0.530 62 G N 0.440 109.214 108.800 -0.042 0.000 2.205 62 G HA2 -0.314 3.642 3.960 -0.006 0.000 0.269 62 G HA3 -0.314 3.642 3.960 -0.006 0.000 0.269 62 G C 1.109 176.014 174.900 0.009 0.000 0.977 62 G CA 0.758 45.838 45.100 -0.032 0.000 0.652 62 G HN 0.415 nan 8.290 nan 0.000 0.539 63 I N 0.566 121.134 120.570 -0.003 0.000 2.703 63 I HA 0.093 4.260 4.170 -0.006 0.000 0.259 63 I C 1.072 177.218 176.117 0.049 0.000 1.151 63 I CA 1.311 62.629 61.300 0.031 0.000 1.470 63 I CB -0.699 37.311 38.000 0.017 0.000 1.112 63 I HN 0.129 nan 8.210 nan 0.000 0.437 64 T N 1.566 116.118 114.554 -0.002 0.000 2.786 64 T HA 0.442 4.788 4.350 -0.006 0.000 0.283 64 T C -1.016 173.688 174.700 0.006 0.000 0.992 64 T CA -0.155 61.972 62.100 0.044 0.000 0.954 64 T CB 1.091 69.976 68.868 0.028 0.000 0.934 64 T HN -0.146 nan 8.240 nan 0.000 0.440 65 Y N 1.624 121.980 120.300 0.093 0.000 2.328 65 Y HA 0.422 4.970 4.550 -0.004 0.000 0.337 65 Y C 0.795 176.806 175.900 0.185 0.000 0.966 65 Y CA -0.786 57.424 58.100 0.184 0.000 1.136 65 Y CB 1.619 40.221 38.460 0.237 0.000 1.170 65 Y HN 0.473 nan 8.280 nan 0.000 0.470 66 T N 4.289 119.035 114.554 0.320 0.000 2.821 66 T HA 0.455 4.801 4.350 -0.006 0.000 0.307 66 T C -0.609 174.274 174.700 0.305 0.000 1.034 66 T CA -0.567 61.680 62.100 0.246 0.000 0.953 66 T CB 0.232 69.192 68.868 0.153 0.000 0.968 66 T HN 0.254 nan 8.240 nan 0.000 0.462 67 V N 4.072 124.157 119.914 0.285 0.000 2.394 67 V HA 0.464 4.580 4.120 -0.006 0.000 0.282 67 V C 0.228 176.431 176.094 0.180 0.000 1.031 67 V CA -0.972 61.509 62.300 0.302 0.000 0.881 67 V CB 1.541 33.555 31.823 0.319 0.000 0.982 67 V HN 0.556 nan 8.190 nan 0.000 0.451 68 K N 4.172 124.672 120.400 0.166 0.000 2.172 68 K HA 0.676 4.993 4.320 -0.006 0.000 0.276 68 K C -0.782 175.847 176.600 0.048 0.000 1.013 68 K CA -0.100 56.238 56.287 0.085 0.000 0.913 68 K CB 0.871 33.418 32.500 0.078 0.000 1.055 68 K HN 0.576 nan 8.250 nan 0.000 0.461 69 L N 3.099 124.324 121.223 0.004 0.000 2.313 69 L HA 0.593 4.930 4.340 -0.006 0.000 0.268 69 L C 0.109 176.956 176.870 -0.039 0.000 1.010 69 L CA -1.287 53.545 54.840 -0.013 0.000 0.814 69 L CB 1.615 43.637 42.059 -0.062 0.000 1.304 69 L HN 0.431 nan 8.230 nan 0.000 0.441 70 R N 0.707 121.169 120.500 -0.063 0.000 2.308 70 R HA 0.299 4.636 4.340 -0.006 0.000 0.305 70 R C -0.590 175.652 176.300 -0.096 0.000 1.053 70 R CA -0.671 55.363 56.100 -0.110 0.000 0.957 70 R CB 1.118 31.269 30.300 -0.248 0.000 1.022 70 R HN 0.404 nan 8.270 nan 0.000 0.461 71 E N 0.767 120.925 120.200 -0.070 0.000 2.318 71 E HA 0.308 4.655 4.350 -0.006 0.000 0.265 71 E C 0.819 177.388 176.600 -0.053 0.000 1.069 71 E CA 0.621 56.985 56.400 -0.060 0.000 0.893 71 E CB 1.061 30.736 29.700 -0.041 0.000 1.076 71 E HN 0.658 nan 8.360 nan 0.000 0.414 72 G N 2.436 111.213 108.800 -0.039 0.000 2.176 72 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.253 72 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.253 72 G C 0.198 175.084 174.900 -0.023 0.000 0.979 72 G CA 0.216 45.305 45.100 -0.019 0.000 0.641 72 G HN 0.437 nan 8.290 nan 0.000 0.530 73 I N 0.983 121.506 120.570 -0.077 0.000 2.474 73 I HA 0.364 4.531 4.170 -0.006 0.000 0.287 73 I C 0.359 176.434 176.117 -0.070 0.000 1.048 73 I CA -0.294 60.922 61.300 -0.140 0.000 1.383 73 I CB 1.052 38.783 38.000 -0.448 0.000 1.412 73 I HN -0.138 nan 8.210 nan 0.000 0.531 74 K N 5.507 125.908 120.400 0.001 0.000 2.267 74 K HA 0.532 4.848 4.320 -0.006 0.000 0.246 74 K C -0.751 175.908 176.600 0.099 0.000 0.954 74 K CA -0.725 55.610 56.287 0.080 0.000 0.824 74 K CB 2.022 34.640 32.500 0.197 0.000 1.167 74 K HN 0.255 nan 8.250 nan 0.000 0.431 75 F N 1.019 121.105 119.950 0.227 0.000 2.375 75 F HA 0.069 4.592 4.527 -0.006 0.000 0.313 75 F C 2.068 177.942 175.800 0.124 0.000 1.176 75 F CA -0.006 58.097 58.000 0.172 0.000 1.142 75 F CB 0.691 39.776 39.000 0.141 0.000 1.275 75 F HN 0.493 nan 8.300 nan 0.000 0.544 76 Q N 0.078 119.920 119.800 0.071 0.000 2.439 76 Q HA -0.152 4.184 4.340 -0.006 0.000 0.211 76 Q C 0.621 176.614 176.000 -0.011 0.000 0.978 76 Q CA 1.140 56.688 55.803 -0.426 0.000 0.897 76 Q CB -0.221 28.109 28.738 -0.681 0.000 0.956 76 Q HN 0.541 nan 8.270 nan 0.000 0.483 77 D N -2.178 118.304 120.400 0.136 0.000 2.368 77 D HA 0.135 4.771 4.640 -0.006 0.000 0.218 77 D C 1.072 177.474 176.300 0.171 0.000 1.112 77 D CA 0.521 54.602 54.000 0.135 0.000 0.834 77 D CB 0.314 41.173 40.800 0.098 0.000 0.953 77 D HN 0.155 nan 8.370 nan 0.000 0.505 78 G N 0.210 109.152 108.800 0.236 0.000 2.241 78 G HA2 -0.296 3.660 3.960 -0.006 0.000 0.244 78 G HA3 -0.296 3.660 3.960 -0.006 0.000 0.244 78 G C 0.639 175.664 174.900 0.209 0.000 0.998 78 G CA 0.413 45.640 45.100 0.211 0.000 0.621 78 G HN 0.777 nan 8.290 nan 0.000 0.519 79 T N -0.248 114.457 114.554 0.253 0.000 2.788 79 T HA 0.524 4.870 4.350 -0.006 0.000 0.287 79 T C -0.246 174.660 174.700 0.343 0.000 1.007 79 T CA 0.187 62.451 62.100 0.273 0.000 1.005 79 T CB 1.575 70.599 68.868 0.261 0.000 1.012 79 T HN 0.089 nan 8.240 nan 0.000 0.530 80 D N 0.346 120.908 120.400 0.270 0.000 2.255 80 D HA 0.381 5.018 4.640 -0.006 0.000 0.249 80 D C -0.887 175.530 176.300 0.195 0.000 1.078 80 D CA -0.457 53.646 54.000 0.171 0.000 0.896 80 D CB 0.554 41.404 40.800 0.083 0.000 1.194 80 D HN 0.527 nan 8.370 nan 0.000 0.429 81 F N 3.138 122.952 119.950 -0.226 0.000 2.411 81 F HA 0.347 4.870 4.527 -0.007 0.000 0.355 81 F C 0.017 175.742 175.800 -0.125 0.000 1.117 81 F CA -0.496 57.293 58.000 -0.351 0.000 1.139 81 F CB 0.039 38.635 39.000 -0.673 0.000 1.120 81 F HN 0.431 nan 8.300 nan 0.000 0.493 82 N N 3.419 121.664 118.700 -0.758 0.000 3.106 82 N HA 0.460 5.196 4.740 -0.006 0.000 0.253 82 N C -0.080 175.105 175.510 -0.542 0.000 1.506 82 N CA -0.578 52.098 53.050 -0.623 0.000 0.876 82 N CB 1.212 39.549 38.487 -0.249 0.000 1.452 82 N HN 0.499 nan 8.380 nan 0.000 0.542 83 A N 0.084 122.706 122.820 -0.331 0.000 1.986 83 A HA -0.117 4.199 4.320 -0.006 0.000 0.220 83 A C 2.180 179.696 177.584 -0.115 0.000 1.171 83 A CA 2.412 54.335 52.037 -0.190 0.000 0.640 83 A CB -1.187 17.750 19.000 -0.104 0.000 0.811 83 A HN 0.776 nan 8.150 nan 0.000 0.451 84 A N -0.438 122.323 122.820 -0.099 0.000 1.897 84 A HA 0.256 4.572 4.320 -0.006 0.000 0.215 84 A C 2.472 180.045 177.584 -0.018 0.000 1.181 84 A CA 1.769 53.779 52.037 -0.044 0.000 0.620 84 A CB -0.888 18.094 19.000 -0.029 0.000 0.821 84 A HN 1.052 nan 8.150 nan 0.000 0.443 85 A N -0.502 122.315 122.820 -0.005 0.000 1.969 85 A HA 0.066 4.382 4.320 -0.006 0.000 0.218 85 A C 2.158 179.810 177.584 0.113 0.000 1.169 85 A CA 1.629 53.728 52.037 0.104 0.000 0.635 85 A CB -0.728 18.475 19.000 0.338 0.000 0.810 85 A HN 0.361 nan 8.150 nan 0.000 0.445 86 V N 0.400 120.345 119.914 0.051 0.000 2.358 86 V HA -0.229 3.887 4.120 -0.006 0.000 0.246 86 V C 2.509 178.639 176.094 0.059 0.000 1.047 86 V CA 2.163 64.526 62.300 0.106 0.000 1.035 86 V CB -0.628 31.235 31.823 0.067 0.000 0.658 86 V HN 0.620 nan 8.190 nan 0.000 0.452 87 K N 0.662 121.075 120.400 0.022 0.000 2.026 87 K HA -0.200 4.116 4.320 -0.006 0.000 0.208 87 K C 2.224 178.817 176.600 -0.012 0.000 1.048 87 K CA 1.776 58.069 56.287 0.011 0.000 0.929 87 K CB -0.358 32.142 32.500 -0.000 0.000 0.713 87 K HN 0.415 nan 8.250 nan 0.000 0.439 88 A N 1.746 124.554 122.820 -0.019 0.000 1.940 88 A HA -0.177 4.140 4.320 -0.006 0.000 0.219 88 A C 1.888 179.414 177.584 -0.097 0.000 1.176 88 A CA 1.626 53.633 52.037 -0.050 0.000 0.631 88 A CB -0.522 18.453 19.000 -0.042 0.000 0.814 88 A HN 0.413 nan 8.150 nan 0.000 0.446 89 N N -0.621 118.033 118.700 -0.076 0.000 2.216 89 N HA -0.070 4.666 4.740 -0.006 0.000 0.183 89 N C 1.494 176.846 175.510 -0.264 0.000 1.017 89 N CA 1.053 54.000 53.050 -0.171 0.000 0.861 89 N CB -0.172 38.299 38.487 -0.026 0.000 0.986 89 N HN 0.306 nan 8.380 nan 0.000 0.428 90 L N 1.771 122.922 121.223 -0.119 0.000 2.095 90 L HA -0.044 4.293 4.340 -0.006 0.000 0.204 90 L C 1.737 178.539 176.870 -0.114 0.000 1.080 90 L CA 1.456 56.236 54.840 -0.099 0.000 0.759 90 L CB -0.791 41.291 42.059 0.039 0.000 0.914 90 L HN 0.013 nan 8.230 nan 0.000 0.439 91 D N -0.675 119.675 120.400 -0.084 0.000 2.104 91 D HA -0.245 4.392 4.640 -0.006 0.000 0.194 91 D C 2.267 178.498 176.300 -0.114 0.000 0.994 91 D CA 1.207 55.165 54.000 -0.070 0.000 0.830 91 D CB -0.074 40.693 40.800 -0.055 0.000 0.959 91 D HN 0.232 nan 8.370 nan 0.000 0.452 92 R N 0.774 121.165 120.500 -0.181 0.000 2.083 92 R HA -0.123 4.213 4.340 -0.006 0.000 0.237 92 R C 2.153 178.285 176.300 -0.281 0.000 1.137 92 R CA 1.693 57.655 56.100 -0.230 0.000 0.951 92 R CB -0.230 29.897 30.300 -0.288 0.000 0.851 92 R HN 0.104 nan 8.270 nan 0.000 0.434 93 A N 0.364 122.925 122.820 -0.431 0.000 1.972 93 A HA -0.136 4.180 4.320 -0.006 0.000 0.219 93 A C 2.026 179.551 177.584 -0.098 0.000 1.169 93 A CA 1.791 53.544 52.037 -0.473 0.000 0.635 93 A CB -0.435 17.969 19.000 -0.993 0.000 0.810 93 A HN 0.605 nan 8.150 nan 0.000 0.446 94 S N -0.932 114.755 115.700 -0.022 0.000 2.575 94 S HA 0.060 4.526 4.470 -0.006 0.000 0.215 94 S C 0.260 174.940 174.600 0.133 0.000 0.966 94 S CA 0.101 58.393 58.200 0.154 0.000 0.911 94 S CB -0.144 63.127 63.200 0.120 0.000 0.780 94 S HN 0.453 nan 8.310 nan 0.000 0.514 95 D N 3.375 123.783 120.400 0.013 0.000 2.380 95 D HA 0.216 4.852 4.640 -0.006 0.000 0.230 95 D C -1.383 174.838 176.300 -0.132 0.000 1.154 95 D CA -2.037 51.941 54.000 -0.038 0.000 0.859 95 D CB 1.774 42.534 40.800 -0.066 0.000 1.045 95 D HN 0.082 nan 8.370 nan 0.000 0.495 96 P HA -0.176 nan 4.420 nan 0.000 0.217 96 P C 1.099 178.286 177.300 -0.189 0.000 1.148 96 P CA 0.744 63.594 63.100 -0.417 0.000 0.828 96 P CB 0.238 31.783 31.700 -0.259 0.000 0.783 97 A N 0.221 122.985 122.820 -0.094 0.000 2.076 97 A HA -0.179 4.138 4.320 -0.006 0.000 0.220 97 A C 2.094 179.663 177.584 -0.025 0.000 1.160 97 A CA 1.432 53.456 52.037 -0.022 0.000 0.653 97 A CB -1.140 17.848 19.000 -0.019 0.000 0.801 97 A HN 0.168 nan 8.150 nan 0.000 0.455 98 N N -0.113 118.500 118.700 -0.145 0.000 2.457 98 N HA -0.066 4.670 4.740 -0.006 0.000 0.180 98 N C 0.063 175.221 175.510 -0.586 0.000 1.050 98 N CA 1.031 53.898 53.050 -0.306 0.000 0.906 98 N CB -0.390 37.954 38.487 -0.240 0.000 0.968 98 N HN 0.885 nan 8.380 nan 0.000 0.445 99 H N -1.158 117.850 119.070 -0.104 0.000 2.415 99 H HA -0.167 4.386 4.556 -0.006 0.000 0.323 99 H C -0.788 174.531 175.328 -0.016 0.000 1.035 99 H CA 0.222 56.226 56.048 -0.073 0.000 1.098 99 H CB -2.494 27.242 29.762 -0.043 0.000 1.575 99 H HN 0.179 nan 8.280 nan 0.000 0.387 100 L N 1.277 122.479 121.223 -0.036 0.000 2.292 100 L HA 0.179 4.516 4.340 -0.006 0.000 0.284 100 L C 1.729 178.672 176.870 0.122 0.000 1.065 100 L CA -0.610 54.244 54.840 0.024 0.000 0.806 100 L CB 1.054 43.119 42.059 0.010 0.000 1.175 100 L HN 0.404 nan 8.230 nan 0.000 0.431 101 K N 1.875 122.345 120.400 0.117 0.000 2.189 101 K HA -0.179 4.137 4.320 -0.006 0.000 0.207 101 K C 0.817 177.492 176.600 0.124 0.000 1.046 101 K CA 1.328 57.685 56.287 0.116 0.000 0.928 101 K CB -0.048 32.503 32.500 0.086 0.000 0.720 101 K HN 0.447 nan 8.250 nan 0.000 0.458 102 R N 0.412 121.005 120.500 0.155 0.000 2.721 102 R HA 0.042 4.378 4.340 -0.006 0.000 0.296 102 R C 1.222 177.686 176.300 0.273 0.000 1.174 102 R CA 0.114 56.303 56.100 0.149 0.000 1.129 102 R CB -0.893 29.490 30.300 0.138 0.000 1.316 102 R HN 0.453 nan 8.270 nan 0.000 0.571 103 H N 1.652 120.816 119.070 0.156 0.000 2.319 103 H HA -0.115 4.437 4.556 -0.006 0.000 0.297 103 H C 0.639 176.034 175.328 0.112 0.000 1.097 103 H CA 1.588 57.739 56.048 0.172 0.000 1.285 103 H CB 0.473 30.295 29.762 0.099 0.000 1.368 103 H HN 0.143 nan 8.280 nan 0.000 0.495 104 N N 0.934 119.553 118.700 -0.136 0.000 2.417 104 N HA -0.140 4.596 4.740 -0.006 0.000 0.187 104 N C 1.871 177.160 175.510 -0.367 0.000 1.027 104 N CA 0.824 53.705 53.050 -0.283 0.000 0.891 104 N CB -0.191 38.207 38.487 -0.149 0.000 0.956 104 N HN 0.495 nan 8.380 nan 0.000 0.442 105 L N -0.884 120.069 121.223 -0.449 0.000 2.599 105 L HA 0.008 4.344 4.340 -0.006 0.000 0.230 105 L C 0.476 176.769 176.870 -0.963 0.000 1.141 105 L CA 0.507 54.872 54.840 -0.793 0.000 0.877 105 L CB -0.090 41.305 42.059 -1.106 0.000 1.009 105 L HN 0.137 nan 8.230 nan 0.000 0.447 106 Y N -1.761 118.467 120.300 -0.121 0.000 2.666 106 Y HA 0.080 4.627 4.550 -0.006 0.000 0.260 106 Y C 1.955 177.794 175.900 -0.102 0.000 1.089 106 Y CA -0.650 57.428 58.100 -0.037 0.000 1.246 106 Y CB 0.024 38.512 38.460 0.047 0.000 1.353 106 Y HN 0.011 nan 8.280 nan 0.000 0.558 107 K N 0.627 120.928 120.400 -0.165 0.000 2.362 107 K HA -0.155 4.161 4.320 -0.006 0.000 0.200 107 K C 1.149 177.684 176.600 -0.107 0.000 1.046 107 K CA 1.617 57.796 56.287 -0.180 0.000 0.952 107 K CB -0.157 32.090 32.500 -0.422 0.000 0.753 107 K HN 0.329 nan 8.250 nan 0.000 0.466 108 N N 1.069 119.679 118.700 -0.151 0.000 2.467 108 N HA 0.011 4.748 4.740 -0.006 0.000 0.184 108 N C -0.229 175.204 175.510 -0.129 0.000 1.106 108 N CA -0.123 52.832 53.050 -0.160 0.000 0.892 108 N CB 0.197 38.523 38.487 -0.268 0.000 0.969 108 N HN 0.203 nan 8.380 nan 0.000 0.454 109 I N 1.552 122.079 120.570 -0.072 0.000 2.363 109 I HA 0.037 4.204 4.170 -0.006 0.000 0.292 109 I C 1.388 177.491 176.117 -0.023 0.000 1.075 109 I CA -0.543 60.721 61.300 -0.061 0.000 1.333 109 I CB 1.410 39.438 38.000 0.047 0.000 1.415 109 I HN 0.035 nan 8.210 nan 0.000 0.502 110 A N 7.570 130.368 122.820 -0.036 0.000 1.872 110 A HA -0.028 4.288 4.320 -0.006 0.000 0.214 110 A C 0.799 178.385 177.584 0.003 0.000 1.187 110 A CA 1.203 53.233 52.037 -0.012 0.000 0.614 110 A CB 0.091 19.083 19.000 -0.013 0.000 0.826 110 A HN 0.800 nan 8.150 nan 0.000 0.442 111 K N -2.868 117.535 120.400 0.006 0.000 2.597 111 K HA 0.520 4.836 4.320 -0.006 0.000 0.282 111 K C -1.738 174.879 176.600 0.029 0.000 0.975 111 K CA -0.652 55.645 56.287 0.017 0.000 0.867 111 K CB 0.970 33.478 32.500 0.014 0.000 1.465 111 K HN -0.109 nan 8.250 nan 0.000 0.417 112 T N 1.602 116.176 114.554 0.033 0.000 2.812 112 T HA 0.335 4.682 4.350 -0.006 0.000 0.282 112 T C -1.236 173.484 174.700 0.035 0.000 0.990 112 T CA -0.718 61.410 62.100 0.048 0.000 0.960 112 T CB 1.251 70.151 68.868 0.054 0.000 0.948 112 T HN 0.525 nan 8.240 nan 0.000 0.438 113 E N 1.393 121.617 120.200 0.041 0.000 2.199 113 E HA 0.638 4.984 4.350 -0.006 0.000 0.269 113 E C -0.835 175.780 176.600 0.025 0.000 0.899 113 E CA -1.159 55.258 56.400 0.028 0.000 0.772 113 E CB 2.057 31.774 29.700 0.028 0.000 1.155 113 E HN 0.627 nan 8.360 nan 0.000 0.408 114 A N 4.176 127.001 122.820 0.010 0.000 2.366 114 A HA 0.217 4.533 4.320 -0.006 0.000 0.322 114 A C 0.814 178.398 177.584 -0.000 0.000 1.397 114 A CA -0.459 51.577 52.037 -0.003 0.000 0.984 114 A CB -0.189 18.800 19.000 -0.018 0.000 1.149 114 A HN 0.585 nan 8.150 nan 0.000 0.540 115 I N 1.119 121.693 120.570 0.007 0.000 2.353 115 I HA -0.033 4.133 4.170 -0.006 0.000 0.248 115 I C 0.543 176.659 176.117 -0.002 0.000 1.119 115 I CA 1.357 62.661 61.300 0.008 0.000 1.417 115 I CB -1.407 36.603 38.000 0.018 0.000 1.078 115 I HN 0.818 nan 8.210 nan 0.000 0.421 116 D N -2.905 117.488 120.400 -0.011 0.000 2.694 116 D HA 0.207 4.843 4.640 -0.006 0.000 0.260 116 D C -2.496 173.780 176.300 -0.040 0.000 1.250 116 D CA -1.351 52.636 54.000 -0.020 0.000 0.763 116 D CB 0.753 41.544 40.800 -0.014 0.000 1.311 116 D HN -0.348 nan 8.370 nan 0.000 0.420 117 P HA -0.183 nan 4.420 nan 0.000 0.219 117 P C 0.794 178.026 177.300 -0.113 0.000 1.151 117 P CA 2.298 65.349 63.100 -0.081 0.000 0.850 117 P CB -0.003 31.659 31.700 -0.064 0.000 0.784 118 T N -7.012 107.496 114.554 -0.077 0.000 3.228 118 T HA 0.256 4.603 4.350 -0.006 0.000 0.278 118 T C 0.081 174.759 174.700 -0.038 0.000 1.014 118 T CA -0.297 61.758 62.100 -0.076 0.000 0.904 118 T CB -0.426 68.411 68.868 -0.052 0.000 1.110 118 T HN -0.170 nan 8.240 nan 0.000 0.541 119 T N 1.582 116.119 114.554 -0.028 0.000 2.937 119 T HA 0.582 4.929 4.350 -0.006 0.000 0.297 119 T C -0.983 173.729 174.700 0.019 0.000 0.991 119 T CA -0.504 61.603 62.100 0.012 0.000 0.990 119 T CB 1.977 70.856 68.868 0.019 0.000 0.991 119 T HN 0.105 nan 8.240 nan 0.000 0.440 120 V N 3.570 123.517 119.914 0.055 0.000 2.487 120 V HA 0.539 4.655 4.120 -0.006 0.000 0.298 120 V C -0.107 176.056 176.094 0.114 0.000 1.028 120 V CA -0.888 61.454 62.300 0.071 0.000 0.860 120 V CB 1.955 33.827 31.823 0.081 0.000 0.991 120 V HN 0.709 nan 8.190 nan 0.000 0.427 121 K N 5.266 125.725 120.400 0.098 0.000 2.367 121 K HA 0.635 4.952 4.320 -0.006 0.000 0.263 121 K C -1.141 175.532 176.600 0.121 0.000 1.000 121 K CA -0.415 55.941 56.287 0.115 0.000 0.891 121 K CB 0.872 33.420 32.500 0.080 0.000 1.117 121 K HN 0.629 nan 8.250 nan 0.000 0.443 122 I N 3.746 124.419 120.570 0.172 0.000 2.354 122 I HA 0.195 4.361 4.170 -0.006 0.000 0.292 122 I C 0.115 176.300 176.117 0.113 0.000 0.989 122 I CA -0.748 60.638 61.300 0.142 0.000 1.188 122 I CB 1.849 39.968 38.000 0.198 0.000 1.342 122 I HN 0.577 nan 8.210 nan 0.000 0.457 123 T N 5.680 120.258 114.554 0.041 0.000 2.792 123 T HA 0.653 5.000 4.350 -0.006 0.000 0.280 123 T C -0.431 174.239 174.700 -0.049 0.000 0.990 123 T CA -0.751 61.363 62.100 0.022 0.000 0.960 123 T CB 0.866 69.749 68.868 0.024 0.000 0.939 123 T HN 0.335 nan 8.240 nan 0.000 0.439 124 L N 3.338 124.519 121.223 -0.071 0.000 2.421 124 L HA 0.467 4.804 4.340 -0.006 0.000 0.263 124 L C 1.762 178.598 176.870 -0.055 0.000 1.122 124 L CA -1.097 53.665 54.840 -0.130 0.000 0.804 124 L CB 0.768 42.728 42.059 -0.164 0.000 1.150 124 L HN 0.729 nan 8.230 nan 0.000 0.457 125 K N 0.153 120.516 120.400 -0.062 0.000 2.031 125 K HA -0.010 4.306 4.320 -0.006 0.000 0.205 125 K C 0.188 176.779 176.600 -0.014 0.000 1.049 125 K CA 0.941 57.209 56.287 -0.032 0.000 0.939 125 K CB 0.122 32.600 32.500 -0.038 0.000 0.717 125 K HN 0.464 nan 8.250 nan 0.000 0.438 126 Q N -0.255 119.537 119.800 -0.014 0.000 2.423 126 Q HA 0.369 4.706 4.340 -0.006 0.000 0.278 126 Q C -2.658 173.386 176.000 0.073 0.000 1.097 126 Q CA -2.515 53.302 55.803 0.024 0.000 0.809 126 Q CB 1.638 30.390 28.738 0.023 0.000 1.391 126 Q HN -0.120 nan 8.270 nan 0.000 0.428 127 P HA 0.051 nan 4.420 nan 0.000 0.269 127 P C -0.789 176.696 177.300 0.308 0.000 1.211 127 P CA 0.349 63.549 63.100 0.166 0.000 0.781 127 P CB 0.252 32.023 31.700 0.118 0.000 0.877 128 F N 0.560 120.586 119.950 0.126 0.000 3.556 128 F HA 0.064 4.589 4.527 -0.003 0.000 0.439 128 F C 0.932 176.871 175.800 0.233 0.000 0.968 128 F CA -0.126 57.965 58.000 0.150 0.000 1.448 128 F CB -0.650 38.420 39.000 0.115 0.000 2.771 128 F HN 0.248 nan 8.300 nan 0.000 0.735 129 S N 1.189 116.905 115.700 0.027 0.000 2.461 129 S HA -0.206 4.260 4.470 -0.006 0.000 0.246 129 S C 1.864 176.447 174.600 -0.028 0.000 1.007 129 S CA 1.155 59.395 58.200 0.067 0.000 0.976 129 S CB -0.295 62.927 63.200 0.037 0.000 0.763 129 S HN 0.754 nan 8.310 nan 0.000 0.508 130 A N 0.130 122.703 122.820 -0.413 0.000 2.238 130 A HA 0.361 4.677 4.320 -0.006 0.000 0.208 130 A C 1.426 178.954 177.584 -0.094 0.000 1.177 130 A CA 0.022 51.856 52.037 -0.338 0.000 0.804 130 A CB -0.889 17.763 19.000 -0.580 0.000 0.823 130 A HN 0.508 nan 8.150 nan 0.000 0.482 131 F N 0.430 120.346 119.950 -0.057 0.000 2.171 131 F HA -0.188 4.334 4.527 -0.008 0.000 0.300 131 F C 1.664 177.331 175.800 -0.221 0.000 1.090 131 F CA 1.571 59.561 58.000 -0.018 0.000 1.293 131 F CB -0.181 38.715 39.000 -0.173 0.000 1.013 131 F HN 0.291 nan 8.300 nan 0.000 0.486 132 I N 0.979 121.342 120.570 -0.344 0.000 2.264 132 I HA -0.320 3.846 4.170 -0.006 0.000 0.248 132 I C 2.097 177.944 176.117 -0.450 0.000 1.111 132 I CA 1.734 62.692 61.300 -0.571 0.000 1.382 132 I CB -0.847 36.922 38.000 -0.384 0.000 1.060 132 I HN 0.182 nan 8.210 nan 0.000 0.418 133 N N 0.482 119.036 118.700 -0.243 0.000 2.244 133 N HA -0.102 4.635 4.740 -0.006 0.000 0.183 133 N C 1.995 177.421 175.510 -0.141 0.000 1.016 133 N CA 1.666 54.630 53.050 -0.143 0.000 0.866 133 N CB -0.119 38.336 38.487 -0.053 0.000 0.980 133 N HN 0.430 nan 8.380 nan 0.000 0.430 134 I N 1.251 121.689 120.570 -0.220 0.000 2.394 134 I HA -0.196 3.971 4.170 -0.006 0.000 0.251 134 I C 1.942 177.915 176.117 -0.240 0.000 1.136 134 I CA 0.782 61.940 61.300 -0.237 0.000 1.425 134 I CB -0.093 37.727 38.000 -0.300 0.000 1.079 134 I HN 0.070 nan 8.210 nan 0.000 0.425 135 L N 0.318 121.302 121.223 -0.399 0.000 2.376 135 L HA -0.049 4.287 4.340 -0.006 0.000 0.219 135 L C 2.350 179.221 176.870 0.002 0.000 1.133 135 L CA 0.641 55.348 54.840 -0.221 0.000 0.816 135 L CB -0.421 41.425 42.059 -0.355 0.000 0.933 135 L HN 0.192 nan 8.230 nan 0.000 0.449 136 A N -1.953 120.848 122.820 -0.030 0.000 2.308 136 A HA -0.004 4.313 4.320 -0.006 0.000 0.217 136 A C 0.582 178.171 177.584 0.008 0.000 1.216 136 A CA -0.182 51.879 52.037 0.041 0.000 0.864 136 A CB -0.593 18.416 19.000 0.015 0.000 0.902 136 A HN 0.375 nan 8.150 nan 0.000 0.499 137 H N 0.982 120.002 119.070 -0.083 0.000 2.683 137 H HA 0.223 4.775 4.556 -0.007 0.000 0.339 137 H C -1.439 173.835 175.328 -0.090 0.000 1.081 137 H CA -1.152 54.839 56.048 -0.096 0.000 1.432 137 H CB 1.211 30.894 29.762 -0.132 0.000 1.462 137 H HN 0.030 nan 8.280 nan 0.000 0.557 138 P HA -0.131 nan 4.420 nan 0.000 0.236 138 P C 0.410 177.726 177.300 0.026 0.000 1.172 138 P CA 1.154 64.226 63.100 -0.047 0.000 0.759 138 P CB 0.104 31.723 31.700 -0.135 0.000 0.843 139 A N -0.152 122.794 122.820 0.210 0.000 1.984 139 A HA 0.040 4.356 4.320 -0.006 0.000 0.214 139 A C 1.378 178.595 177.584 -0.612 0.000 1.173 139 A CA 0.837 52.789 52.037 -0.142 0.000 0.673 139 A CB -1.217 17.713 19.000 -0.117 0.000 0.830 139 A HN 0.166 nan 8.150 nan 0.000 0.453 140 T N 2.001 116.398 114.554 -0.263 0.000 4.219 140 T HA 0.529 4.875 4.350 -0.006 0.000 0.263 140 T C 0.331 174.926 174.700 -0.174 0.000 1.217 140 T CA 0.353 62.328 62.100 -0.209 0.000 1.145 140 T CB -0.279 68.680 68.868 0.152 0.000 1.298 140 T HN 0.486 nan 8.240 nan 0.000 0.999 144 S N 3.524 118.923 115.700 -0.502 0.000 2.488 144 S HA 0.257 4.724 4.470 -0.006 0.000 0.278 144 S C -1.730 172.609 174.600 -0.435 0.000 1.259 144 S CA -0.833 56.764 58.200 -1.005 0.000 1.061 144 S CB 0.804 63.612 63.200 -0.654 0.000 0.910 144 S HN 0.344 nan 8.310 nan 0.000 0.491 145 P HA -0.100 nan 4.420 nan 0.000 0.215 145 P C 1.416 178.639 177.300 -0.128 0.000 1.153 145 P CA 1.636 64.639 63.100 -0.162 0.000 0.853 145 P CB 0.002 31.645 31.700 -0.094 0.000 0.788 146 A N -0.003 122.734 122.820 -0.138 0.000 1.883 146 A HA -0.174 4.143 4.320 -0.006 0.000 0.217 146 A C 2.325 179.849 177.584 -0.101 0.000 1.186 146 A CA 2.318 54.296 52.037 -0.098 0.000 0.624 146 A CB -1.653 17.304 19.000 -0.072 0.000 0.822 146 A HN 0.207 nan 8.150 nan 0.000 0.444 147 A N -0.562 122.213 122.820 -0.074 0.000 1.969 147 A HA 0.054 4.370 4.320 -0.006 0.000 0.218 147 A C 2.120 179.766 177.584 0.103 0.000 1.169 147 A CA 1.296 53.366 52.037 0.055 0.000 0.635 147 A CB -0.537 18.578 19.000 0.191 0.000 0.810 147 A HN 0.472 nan 8.150 nan 0.000 0.445 148 L N -0.759 120.474 121.223 0.016 0.000 2.131 148 L HA -0.199 4.137 4.340 -0.006 0.000 0.210 148 L C 2.618 179.487 176.870 -0.002 0.000 1.092 148 L CA 1.869 56.719 54.840 0.016 0.000 0.759 148 L CB -0.326 41.703 42.059 -0.050 0.000 0.903 148 L HN 0.657 nan 8.230 nan 0.000 0.435 149 E N 0.417 120.587 120.200 -0.049 0.000 2.122 149 E HA -0.212 4.134 4.350 -0.006 0.000 0.190 149 E C 2.240 178.776 176.600 -0.107 0.000 0.977 149 E CA 0.596 56.956 56.400 -0.066 0.000 0.820 149 E CB 0.139 29.796 29.700 -0.072 0.000 0.770 149 E HN 0.268 nan 8.360 nan 0.000 0.462 150 K N -0.403 119.874 120.400 -0.205 0.000 2.097 150 K HA -0.136 4.180 4.320 -0.006 0.000 0.205 150 K C 1.335 177.692 176.600 -0.406 0.000 1.050 150 K CA 1.292 57.349 56.287 -0.383 0.000 0.938 150 K CB -0.005 32.105 32.500 -0.649 0.000 0.718 150 K HN 0.268 nan 8.250 nan 0.000 0.442 151 Y N -0.460 119.851 120.300 0.017 0.000 2.509 151 Y HA 0.151 4.697 4.550 -0.006 0.000 0.270 151 Y C 1.663 177.607 175.900 0.074 0.000 1.103 151 Y CA 0.035 58.177 58.100 0.071 0.000 1.278 151 Y CB 0.337 38.890 38.460 0.155 0.000 1.087 151 Y HN 0.313 nan 8.280 nan 0.000 0.542 152 G N 1.441 110.331 108.800 0.150 0.000 2.634 152 G HA2 -0.448 3.508 3.960 -0.006 0.000 0.318 152 G HA3 -0.448 3.508 3.960 -0.006 0.000 0.318 152 G C 0.972 175.939 174.900 0.112 0.000 1.207 152 G CA 1.034 46.190 45.100 0.092 0.000 0.987 152 G HN 0.390 nan 8.290 nan 0.000 0.547 153 K N 1.306 121.771 120.400 0.108 0.000 2.487 153 K HA 0.205 4.521 4.320 -0.006 0.000 0.192 153 K C 1.729 178.436 176.600 0.177 0.000 1.027 153 K CA 0.769 57.119 56.287 0.105 0.000 1.054 153 K CB 0.247 32.797 32.500 0.084 0.000 0.824 153 K HN 0.544 nan 8.250 nan 0.000 0.510 154 E N 0.348 120.704 120.200 0.260 0.000 2.476 154 E HA 0.008 4.354 4.350 -0.006 0.000 0.196 154 E C 1.174 177.993 176.600 0.364 0.000 1.029 154 E CA -0.090 56.552 56.400 0.403 0.000 0.896 154 E CB 0.233 30.186 29.700 0.422 0.000 1.012 154 E HN 0.155 nan 8.360 nan 0.000 0.475 155 I N 1.061 121.783 120.570 0.252 0.000 2.381 155 I HA -0.184 3.983 4.170 -0.006 0.000 0.255 155 I C 1.961 178.105 176.117 0.046 0.000 1.140 155 I CA 1.439 62.839 61.300 0.168 0.000 1.404 155 I CB -0.187 37.900 38.000 0.145 0.000 1.075 155 I HN 0.064 nan 8.210 nan 0.000 0.433 156 G N -1.081 107.718 108.800 -0.002 0.000 2.598 156 G HA2 -0.182 3.774 3.960 -0.006 0.000 0.215 156 G HA3 -0.182 3.774 3.960 -0.006 0.000 0.215 156 G C 1.269 176.030 174.900 -0.232 0.000 1.131 156 G CA 0.487 45.506 45.100 -0.134 0.000 0.785 156 G HN 0.470 nan 8.290 nan 0.000 0.539 157 F N -1.434 118.427 119.950 -0.149 0.000 2.559 157 F HA 0.325 4.849 4.527 -0.006 0.000 0.286 157 F C 0.350 175.755 175.800 -0.659 0.000 1.108 157 F CA -0.145 57.650 58.000 -0.341 0.000 1.436 157 F CB 0.450 38.972 39.000 -0.796 0.000 1.130 157 F HN 0.022 nan 8.300 nan 0.000 0.584 158 Y N 1.820 122.045 120.300 -0.125 0.000 2.747 158 Y HA 0.324 4.871 4.550 -0.006 0.000 0.362 158 Y C -2.442 173.153 175.900 -0.508 0.000 1.026 158 Y CA -3.235 54.591 58.100 -0.457 0.000 1.135 158 Y CB -0.487 37.364 38.460 -1.014 0.000 1.175 158 Y HN -0.204 nan 8.280 nan 0.000 0.643 159 P HA 0.099 nan 4.420 nan 0.000 0.269 159 P C -0.469 176.584 177.300 -0.413 0.000 1.209 159 P CA 0.112 62.937 63.100 -0.459 0.000 0.776 159 P CB 2.353 33.409 31.700 -1.074 0.000 0.876 160 V N 2.456 122.285 119.914 -0.142 0.000 2.509 160 V HA 0.591 4.708 4.120 -0.006 0.000 0.289 160 V C 0.625 176.813 176.094 0.157 0.000 1.026 160 V CA -0.256 62.021 62.300 -0.039 0.000 0.872 160 V CB 1.345 33.206 31.823 0.064 0.000 1.017 160 V HN 0.909 nan 8.190 nan 0.000 0.436 161 G N 2.388 111.266 108.800 0.130 0.000 3.243 161 G HA2 0.576 4.532 3.960 -0.006 0.000 0.248 161 G HA3 0.576 4.532 3.960 -0.006 0.000 0.248 161 G C 0.620 175.793 174.900 0.456 0.000 1.267 161 G CA 0.427 45.823 45.100 0.494 0.000 0.906 161 G HN 0.620 nan 8.290 nan 0.000 0.592 162 T N -2.225 112.560 114.554 0.386 0.000 3.054 162 T HA 0.387 4.733 4.350 -0.006 0.000 0.255 162 T C 1.236 176.238 174.700 0.504 0.000 1.035 162 T CA 0.750 63.014 62.100 0.273 0.000 0.941 162 T CB 0.130 68.949 68.868 -0.082 0.000 1.026 162 T HN 0.825 nan 8.240 nan 0.000 0.533 163 G N 2.775 111.815 108.800 0.400 0.000 2.699 163 G HA2 0.367 4.323 3.960 -0.006 0.000 0.246 163 G HA3 0.367 4.323 3.960 -0.006 0.000 0.246 163 G C -1.065 173.969 174.900 0.223 0.000 1.219 163 G CA -1.043 44.269 45.100 0.353 0.000 0.866 163 G HN 0.128 nan 8.290 nan 0.000 0.572 164 P HA -0.018 nan 4.420 nan 0.000 0.230 164 P C -0.618 176.309 177.300 -0.620 0.000 1.158 164 P CA 1.033 63.559 63.100 -0.956 0.000 0.769 164 P CB 0.097 30.950 31.700 -1.411 0.000 0.807 165 Y N -0.566 119.735 120.300 0.001 0.000 2.536 165 Y HA 0.465 5.011 4.550 -0.007 0.000 0.347 165 Y C 0.737 176.719 175.900 0.136 0.000 1.000 165 Y CA -1.091 57.048 58.100 0.064 0.000 1.051 165 Y CB 1.744 40.195 38.460 -0.015 0.000 1.259 165 Y HN -0.260 nan 8.280 nan 0.000 0.468 166 E N 1.347 121.740 120.200 0.321 0.000 2.221 166 E HA 0.387 4.733 4.350 -0.006 0.000 0.268 166 E C -1.484 175.323 176.600 0.345 0.000 0.933 166 E CA -1.357 55.197 56.400 0.255 0.000 0.809 166 E CB 2.286 32.064 29.700 0.130 0.000 1.190 166 E HN 0.404 nan 8.360 nan 0.000 0.406 167 L N 2.666 124.055 121.223 0.276 0.000 2.477 167 L HA 0.016 4.353 4.340 -0.006 0.000 0.272 167 L C 0.525 177.524 176.870 0.214 0.000 1.157 167 L CA 0.733 55.730 54.840 0.262 0.000 0.889 167 L CB 0.388 42.472 42.059 0.042 0.000 1.158 167 L HN 0.599 nan 8.230 nan 0.000 0.473 168 D N 2.481 123.022 120.400 0.235 0.000 2.214 168 D HA 0.042 4.679 4.640 -0.006 0.000 0.217 168 D C 0.178 176.609 176.300 0.218 0.000 0.973 168 D CA 1.221 55.342 54.000 0.203 0.000 0.880 168 D CB 0.527 41.442 40.800 0.191 0.000 1.031 168 D HN 0.588 nan 8.370 nan 0.000 0.468 169 T N -1.828 112.886 114.554 0.267 0.000 2.893 169 T HA 0.374 4.720 4.350 -0.006 0.000 0.337 169 T C -2.590 172.328 174.700 0.362 0.000 1.587 169 T CA -0.730 61.541 62.100 0.285 0.000 1.066 169 T CB 0.476 69.503 68.868 0.265 0.000 1.414 169 T HN 0.093 nan 8.240 nan 0.000 0.488 170 W N 4.330 125.669 121.300 0.065 0.000 2.715 170 W HA 0.645 5.302 4.660 -0.006 0.000 0.331 170 W C -1.638 174.823 176.519 -0.097 0.000 1.031 170 W CA -1.375 55.974 57.345 0.007 0.000 1.237 170 W CB 0.872 30.345 29.460 0.022 0.000 1.378 170 W HN 0.651 nan 8.180 nan 0.000 0.454 171 N N 5.575 124.283 118.700 0.013 0.000 2.678 171 N HA 0.046 4.782 4.740 -0.006 0.000 0.231 171 N C 1.141 176.524 175.510 -0.212 0.000 1.038 171 N CA -0.332 52.559 53.050 -0.264 0.000 0.932 171 N CB 1.077 39.247 38.487 -0.527 0.000 1.176 171 N HN 0.309 nan 8.380 nan 0.000 0.511 172 Q N 0.057 119.548 119.800 -0.515 0.000 2.245 172 Q HA -0.300 4.037 4.340 -0.006 0.000 0.220 172 Q C 0.771 176.772 176.000 0.001 0.000 1.050 172 Q CA 2.352 57.882 55.803 -0.454 0.000 0.956 172 Q CB -0.640 27.876 28.738 -0.369 0.000 1.066 172 Q HN 0.546 nan 8.270 nan 0.000 0.430 173 T N -0.739 113.809 114.554 -0.011 0.000 3.018 173 T HA 0.017 4.363 4.350 -0.006 0.000 0.246 173 T C 1.029 175.778 174.700 0.082 0.000 1.026 173 T CA 0.576 62.705 62.100 0.048 0.000 1.081 173 T CB 0.048 68.917 68.868 0.003 0.000 0.970 173 T HN 0.162 nan 8.240 nan 0.000 0.475 174 D N 0.995 121.402 120.400 0.011 0.000 2.077 174 D HA 0.157 4.794 4.640 -0.006 0.000 0.196 174 D C 0.226 176.672 176.300 0.243 0.000 0.986 174 D CA 1.320 55.343 54.000 0.038 0.000 0.829 174 D CB 0.170 40.862 40.800 -0.180 0.000 0.983 174 D HN 0.504 nan 8.370 nan 0.000 0.453 175 F N -3.689 116.464 119.950 0.338 0.000 2.944 175 F HA 0.445 4.968 4.527 -0.006 0.000 0.324 175 F C -1.890 174.153 175.800 0.404 0.000 1.151 175 F CA -1.475 56.749 58.000 0.374 0.000 0.883 175 F CB 0.884 40.020 39.000 0.227 0.000 1.341 175 F HN -0.359 nan 8.300 nan 0.000 0.456 176 V N 2.096 122.368 119.914 0.597 0.000 2.349 176 V HA 0.440 4.556 4.120 -0.006 0.000 0.284 176 V C -0.534 175.783 176.094 0.372 0.000 1.014 176 V CA -0.694 61.750 62.300 0.240 0.000 0.826 176 V CB 1.292 32.890 31.823 -0.376 0.000 1.009 176 V HN 0.778 nan 8.190 nan 0.000 0.431 177 K N 4.544 125.196 120.400 0.419 0.000 2.213 177 K HA 0.745 5.062 4.320 -0.006 0.000 0.270 177 K C -0.741 175.982 176.600 0.205 0.000 1.002 177 K CA -0.482 55.950 56.287 0.243 0.000 0.868 177 K CB 1.790 34.423 32.500 0.222 0.000 1.093 177 K HN 0.583 nan 8.250 nan 0.000 0.454 178 V N 1.151 121.138 119.914 0.121 0.000 2.769 178 V HA 0.644 4.760 4.120 -0.006 0.000 0.312 178 V C -1.144 175.053 176.094 0.171 0.000 1.061 178 V CA -0.934 61.465 62.300 0.163 0.000 0.931 178 V CB 1.471 33.330 31.823 0.061 0.000 1.010 178 V HN 0.871 nan 8.190 nan 0.000 0.433 179 K N 2.211 122.768 120.400 0.262 0.000 2.267 179 K HA 0.564 4.881 4.320 -0.006 0.000 0.246 179 K C -0.520 176.271 176.600 0.319 0.000 0.954 179 K CA -0.955 55.490 56.287 0.264 0.000 0.824 179 K CB 2.391 34.998 32.500 0.178 0.000 1.167 179 K HN 0.752 nan 8.250 nan 0.000 0.431 180 K N 2.457 122.996 120.400 0.231 0.000 2.504 180 K HA -0.099 4.217 4.320 -0.006 0.000 0.278 180 K C -1.161 175.504 176.600 0.108 0.000 1.025 180 K CA 0.040 56.338 56.287 0.019 0.000 1.093 180 K CB 0.143 32.632 32.500 -0.017 0.000 0.873 180 K HN 0.671 nan 8.250 nan 0.000 0.483 181 F N 5.140 125.011 119.950 -0.132 0.000 2.368 181 F HA 0.286 4.809 4.527 -0.007 0.000 0.362 181 F C 1.012 176.819 175.800 0.011 0.000 1.137 181 F CA -0.608 57.385 58.000 -0.012 0.000 1.161 181 F CB 0.721 39.739 39.000 0.030 0.000 1.265 181 F HN 0.757 nan 8.300 nan 0.000 0.530 182 A N 4.201 126.931 122.820 -0.150 0.000 1.986 182 A HA -0.139 4.177 4.320 -0.006 0.000 0.220 182 A C 2.074 179.345 177.584 -0.520 0.000 1.171 182 A CA 1.731 53.612 52.037 -0.260 0.000 0.640 182 A CB -1.095 17.846 19.000 -0.098 0.000 0.811 182 A HN 0.915 nan 8.150 nan 0.000 0.451 183 G N -2.426 105.687 108.800 -1.145 0.000 3.327 183 G HA2 0.259 4.215 3.960 -0.006 0.000 0.240 183 G HA3 0.259 4.215 3.960 -0.006 0.000 0.240 183 G C 0.156 174.528 174.900 -0.879 0.000 1.222 183 G CA -0.331 44.201 45.100 -0.945 0.000 0.871 183 G HN 0.406 nan 8.290 nan 0.000 0.525 184 Y N 2.241 121.983 120.300 -0.929 0.000 2.632 184 Y HA 0.048 4.594 4.550 -0.006 0.000 0.329 184 Y C 1.621 177.421 175.900 -0.167 0.000 1.174 184 Y CA -1.597 56.314 58.100 -0.314 0.000 1.469 184 Y CB 0.403 38.707 38.460 -0.260 0.000 1.242 184 Y HN 0.425 nan 8.280 nan 0.000 0.540 185 W N 4.196 125.086 121.300 -0.683 0.000 2.480 185 W HA -0.118 4.538 4.660 -0.007 0.000 0.257 185 W C -0.825 175.399 176.519 -0.491 0.000 1.235 185 W CA 0.348 57.384 57.345 -0.516 0.000 1.218 185 W CB -0.588 28.620 29.460 -0.419 0.000 1.131 185 W HN 0.537 nan 8.180 nan 0.000 0.606 186 Q N 1.714 120.779 119.800 -1.225 0.000 2.368 186 Q HA 0.300 4.636 4.340 -0.006 0.000 0.256 186 Q C -2.290 173.522 176.000 -0.314 0.000 0.980 186 Q CA -2.215 53.127 55.803 -0.768 0.000 0.887 186 Q CB 1.329 29.532 28.738 -0.892 0.000 1.221 186 Q HN -0.237 nan 8.270 nan 0.000 0.458 187 P HA 0.026 nan 4.420 nan 0.000 0.267 187 P C 0.568 177.810 177.300 -0.096 0.000 1.205 187 P CA 0.631 63.660 63.100 -0.118 0.000 0.765 187 P CB 0.745 32.393 31.700 -0.087 0.000 0.828 188 G N 1.667 110.421 108.800 -0.076 0.000 2.175 188 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.244 188 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.244 188 G C -0.257 174.600 174.900 -0.071 0.000 0.982 188 G CA -0.361 44.699 45.100 -0.067 0.000 0.641 188 G HN 0.457 nan 8.290 nan 0.000 0.527 189 L N 1.282 122.466 121.223 -0.065 0.000 2.354 189 L HA 0.631 4.967 4.340 -0.006 0.000 0.264 189 L C -2.033 174.727 176.870 -0.183 0.000 1.008 189 L CA -2.447 52.330 54.840 -0.105 0.000 0.819 189 L CB 2.599 44.611 42.059 -0.080 0.000 1.339 189 L HN -0.062 nan 8.230 nan 0.000 0.420 190 P HA 0.241 nan 4.420 nan 0.000 0.279 190 P C -0.652 176.559 177.300 -0.150 0.000 1.276 190 P CA -0.519 62.397 63.100 -0.307 0.000 0.801 190 P CB 1.403 32.784 31.700 -0.532 0.000 1.127 191 K N -0.228 120.133 120.400 -0.066 0.000 2.262 191 K HA 0.190 4.507 4.320 -0.006 0.000 0.200 191 K C 1.007 177.604 176.600 -0.006 0.000 1.049 191 K CA 0.487 56.752 56.287 -0.036 0.000 0.979 191 K CB -0.410 32.075 32.500 -0.025 0.000 0.773 191 K HN 0.445 nan 8.250 nan 0.000 0.474 192 L N 1.768 123.023 121.223 0.052 0.000 2.418 192 L HA 0.094 4.431 4.340 -0.006 0.000 0.265 192 L C 1.070 178.008 176.870 0.113 0.000 1.143 192 L CA -0.243 54.651 54.840 0.089 0.000 0.809 192 L CB 0.526 42.671 42.059 0.144 0.000 1.124 192 L HN -0.011 nan 8.230 nan 0.000 0.456 193 D N -0.002 120.441 120.400 0.072 0.000 2.271 193 D HA 0.013 4.650 4.640 -0.006 0.000 0.206 193 D C 0.474 176.848 176.300 0.123 0.000 0.967 193 D CA 0.766 54.809 54.000 0.072 0.000 0.867 193 D CB 0.676 41.491 40.800 0.025 0.000 0.960 193 D HN 0.604 nan 8.370 nan 0.000 0.509 194 S N -0.517 115.232 115.700 0.082 0.000 2.565 194 S HA 0.560 5.026 4.470 -0.006 0.000 0.274 194 S C -1.230 173.264 174.600 -0.177 0.000 1.144 194 S CA -0.941 57.270 58.200 0.017 0.000 0.849 194 S CB 1.485 64.676 63.200 -0.014 0.000 1.103 194 S HN -0.005 nan 8.310 nan 0.000 0.455 195 I N 1.323 121.697 120.570 -0.328 0.000 2.608 195 I HA 0.512 4.678 4.170 -0.006 0.000 0.295 195 I C -0.759 175.059 176.117 -0.498 0.000 1.049 195 I CA -0.605 60.346 61.300 -0.581 0.000 1.063 195 I CB 2.722 40.181 38.000 -0.900 0.000 1.248 195 I HN 0.733 nan 8.210 nan 0.000 0.424 196 T N 4.237 118.447 114.554 -0.572 0.000 2.892 196 T HA 0.297 4.643 4.350 -0.006 0.000 0.311 196 T C -1.131 173.353 174.700 -0.361 0.000 1.033 196 T CA -0.383 61.498 62.100 -0.364 0.000 0.991 196 T CB 0.179 68.828 68.868 -0.366 0.000 0.981 196 T HN 0.278 nan 8.240 nan 0.000 0.457 197 W N 3.821 125.055 121.300 -0.109 0.000 2.416 197 W HA 0.440 5.096 4.660 -0.007 0.000 0.318 197 W C 0.710 177.366 176.519 0.229 0.000 1.150 197 W CA -0.971 56.375 57.345 0.003 0.000 1.392 197 W CB 0.213 29.647 29.460 -0.044 0.000 1.311 197 W HN 0.239 nan 8.180 nan 0.000 0.436 198 R N 4.245 124.927 120.500 0.303 0.000 2.265 198 R HA 0.337 4.673 4.340 -0.006 0.000 0.328 198 R C -2.474 173.941 176.300 0.191 0.000 0.969 198 R CA -1.922 54.341 56.100 0.272 0.000 0.832 198 R CB 1.096 31.475 30.300 0.132 0.000 1.139 198 R HN 0.054 nan 8.270 nan 0.000 0.457 199 P HA 0.076 nan 4.420 nan 0.000 0.276 199 P C -0.883 176.426 177.300 0.016 0.000 1.235 199 P CA -0.191 62.900 63.100 -0.015 0.000 0.772 199 P CB 0.961 32.582 31.700 -0.131 0.000 0.871 200 V N 3.128 123.038 119.914 -0.007 0.000 2.498 200 V HA 0.294 4.410 4.120 -0.006 0.000 0.283 200 V C 0.996 177.067 176.094 -0.039 0.000 1.015 200 V CA -0.337 61.956 62.300 -0.013 0.000 0.867 200 V CB 1.011 32.828 31.823 -0.010 0.000 1.025 200 V HN 0.589 nan 8.190 nan 0.000 0.441 201 A N 2.856 125.650 122.820 -0.042 0.000 1.930 201 A HA -0.073 4.243 4.320 -0.006 0.000 0.217 201 A C 1.063 178.608 177.584 -0.064 0.000 1.175 201 A CA 1.159 53.163 52.037 -0.056 0.000 0.627 201 A CB -0.231 18.739 19.000 -0.049 0.000 0.815 201 A HN 0.809 nan 8.150 nan 0.000 0.443 202 D N 0.020 120.387 120.400 -0.055 0.000 2.346 202 D HA 0.107 4.743 4.640 -0.006 0.000 0.260 202 D C 0.976 177.234 176.300 -0.070 0.000 1.252 202 D CA -0.050 53.913 54.000 -0.061 0.000 0.895 202 D CB 0.378 41.149 40.800 -0.048 0.000 1.097 202 D HN 0.198 nan 8.370 nan 0.000 0.489 203 N N 3.619 122.266 118.700 -0.088 0.000 2.069 203 N HA -0.179 4.557 4.740 -0.006 0.000 0.191 203 N C 1.018 176.474 175.510 -0.090 0.000 1.031 203 N CA 0.877 53.864 53.050 -0.105 0.000 0.852 203 N CB -0.219 38.189 38.487 -0.131 0.000 1.018 203 N HN 0.470 nan 8.380 nan 0.000 0.423 204 N N 0.456 119.111 118.700 -0.075 0.000 2.223 204 N HA -0.061 4.675 4.740 -0.006 0.000 0.185 204 N C 1.583 177.059 175.510 -0.055 0.000 1.016 204 N CA 0.996 54.009 53.050 -0.061 0.000 0.863 204 N CB -0.674 37.783 38.487 -0.049 0.000 0.983 204 N HN 0.283 nan 8.380 nan 0.000 0.429 205 T N 0.638 115.161 114.554 -0.052 0.000 2.821 205 T HA -0.068 4.278 4.350 -0.006 0.000 0.267 205 T C 1.975 176.645 174.700 -0.050 0.000 1.046 205 T CA 0.752 62.825 62.100 -0.045 0.000 1.139 205 T CB 0.083 68.929 68.868 -0.037 0.000 0.871 205 T HN 0.232 nan 8.240 nan 0.000 0.454 206 R N 1.082 121.547 120.500 -0.057 0.000 2.080 206 R HA -0.075 4.261 4.340 -0.006 0.000 0.236 206 R C 2.565 178.823 176.300 -0.070 0.000 1.137 206 R CA 1.635 57.699 56.100 -0.060 0.000 0.943 206 R CB -0.495 29.763 30.300 -0.069 0.000 0.846 206 R HN 0.365 nan 8.270 nan 0.000 0.431 207 A N 0.702 123.476 122.820 -0.076 0.000 1.930 207 A HA 0.120 4.436 4.320 -0.006 0.000 0.217 207 A C 1.338 178.880 177.584 -0.069 0.000 1.175 207 A CA 1.052 53.042 52.037 -0.079 0.000 0.627 207 A CB -0.741 18.213 19.000 -0.076 0.000 0.815 207 A HN 0.552 nan 8.150 nan 0.000 0.443 211 Q N 0.552 120.312 119.800 -0.067 0.000 2.002 211 Q HA -0.189 4.147 4.340 -0.006 0.000 0.204 211 Q C 1.995 177.965 176.000 -0.050 0.000 0.988 211 Q CA 2.619 58.389 55.803 -0.055 0.000 0.843 211 Q CB -0.468 28.242 28.738 -0.047 0.000 0.908 211 Q HN 0.652 nan 8.270 nan 0.000 0.420 212 T N -3.177 111.347 114.554 -0.050 0.000 3.035 212 T HA 0.115 4.461 4.350 -0.006 0.000 0.268 212 T C 1.413 176.082 174.700 -0.051 0.000 1.109 212 T CA 1.238 63.311 62.100 -0.046 0.000 1.119 212 T CB 0.073 68.915 68.868 -0.043 0.000 0.900 212 T HN 0.530 nan 8.240 nan 0.000 0.503 213 G N 1.204 109.967 108.800 -0.061 0.000 2.195 213 G HA2 -0.327 3.630 3.960 -0.006 0.000 0.246 213 G HA3 -0.327 3.630 3.960 -0.006 0.000 0.246 213 G C 0.607 175.460 174.900 -0.077 0.000 0.984 213 G CA 0.719 45.779 45.100 -0.067 0.000 0.633 213 G HN 0.648 nan 8.290 nan 0.000 0.525 214 E N 0.497 120.654 120.200 -0.073 0.000 2.171 214 E HA 0.232 4.579 4.350 -0.006 0.000 0.197 214 E C 1.257 177.796 176.600 -0.103 0.000 0.997 214 E CA 1.579 57.932 56.400 -0.080 0.000 0.810 214 E CB -0.114 29.547 29.700 -0.065 0.000 0.738 214 E HN 1.295 nan 8.360 nan 0.000 0.467 215 A N -0.301 122.455 122.820 -0.107 0.000 2.435 215 A HA 0.416 4.733 4.320 -0.006 0.000 0.304 215 A C -0.318 177.184 177.584 -0.136 0.000 1.064 215 A CA -0.717 51.239 52.037 -0.135 0.000 0.727 215 A CB 1.776 20.705 19.000 -0.119 0.000 1.284 215 A HN 0.088 nan 8.150 nan 0.000 0.415 216 Q N -0.155 119.543 119.800 -0.171 0.000 2.352 216 Q HA 0.409 4.746 4.340 -0.006 0.000 0.212 216 Q C -0.787 175.163 176.000 -0.083 0.000 0.888 216 Q CA 0.678 56.396 55.803 -0.141 0.000 0.934 216 Q CB 0.596 29.223 28.738 -0.184 0.000 1.093 216 Q HN 0.609 nan 8.270 nan 0.000 0.523 217 F N -0.406 119.350 119.950 -0.324 0.000 2.608 217 F HA 0.711 5.234 4.527 -0.006 0.000 0.309 217 F C -1.705 173.981 175.800 -0.191 0.000 1.103 217 F CA -1.084 56.740 58.000 -0.293 0.000 0.954 217 F CB 1.349 39.954 39.000 -0.659 0.000 1.267 217 F HN -0.185 nan 8.300 nan 0.000 0.444 218 A N 4.314 126.844 122.820 -0.483 0.000 2.574 218 A HA 0.853 5.169 4.320 -0.006 0.000 0.297 218 A C -2.308 175.257 177.584 -0.031 0.000 1.062 218 A CA -0.553 51.403 52.037 -0.136 0.000 0.686 218 A CB 1.507 20.432 19.000 -0.124 0.000 1.285 218 A HN 1.176 nan 8.150 nan 0.000 0.403 219 F N 2.206 122.177 119.950 0.035 0.000 2.680 219 F HA 0.617 5.141 4.527 -0.006 0.000 0.315 219 F C -2.953 172.927 175.800 0.133 0.000 1.099 219 F CA -1.034 57.031 58.000 0.108 0.000 1.033 219 F CB 1.902 41.097 39.000 0.325 0.000 1.285 219 F HN 0.481 nan 8.300 nan 0.000 0.457 220 P HA 0.473 nan 4.420 nan 0.000 0.279 220 P C -0.945 176.144 177.300 -0.351 0.000 1.276 220 P CA -0.280 62.239 63.100 -0.968 0.000 0.801 220 P CB 2.052 33.171 31.700 -0.968 0.000 1.127 221 I N 1.600 122.031 120.570 -0.232 0.000 2.389 221 I HA 0.268 4.434 4.170 -0.006 0.000 0.288 221 I C -1.976 174.015 176.117 -0.210 0.000 0.999 221 I CA -2.810 58.384 61.300 -0.176 0.000 1.129 221 I CB 1.981 39.908 38.000 -0.120 0.000 1.288 221 I HN 0.194 nan 8.210 nan 0.000 0.444 222 P HA -0.037 nan 4.420 nan 0.000 0.267 222 P C 0.292 177.538 177.300 -0.090 0.000 1.200 222 P CA 0.289 63.251 63.100 -0.231 0.000 0.772 222 P CB 0.637 32.243 31.700 -0.157 0.000 0.855 223 Y N -0.026 120.232 120.300 -0.070 0.000 2.165 223 Y HA -0.207 4.339 4.550 -0.006 0.000 0.286 223 Y C 2.632 178.550 175.900 0.031 0.000 1.155 223 Y CA 0.587 58.685 58.100 -0.003 0.000 1.164 223 Y CB -0.283 38.226 38.460 0.082 0.000 0.978 223 Y HN 0.386 nan 8.280 nan 0.000 0.513 224 E N 0.257 120.554 120.200 0.162 0.000 2.077 224 E HA -0.184 4.162 4.350 -0.006 0.000 0.193 224 E C 1.969 178.603 176.600 0.057 0.000 0.989 224 E CA 0.968 57.423 56.400 0.092 0.000 0.800 224 E CB -0.103 29.625 29.700 0.047 0.000 0.746 224 E HN 0.532 nan 8.360 nan 0.000 0.452 225 Q N -0.440 119.375 119.800 0.025 0.000 2.435 225 Q HA 0.049 4.386 4.340 -0.006 0.000 0.207 225 Q C 1.911 177.913 176.000 0.004 0.000 0.956 225 Q CA 0.671 56.472 55.803 -0.002 0.000 0.917 225 Q CB -0.091 28.625 28.738 -0.036 0.000 0.997 225 Q HN 0.192 nan 8.270 nan 0.000 0.497 226 A N 0.686 123.526 122.820 0.033 0.000 1.865 226 A HA -0.222 4.094 4.320 -0.006 0.000 0.217 226 A C 2.365 179.988 177.584 0.065 0.000 1.191 226 A CA 2.245 54.306 52.037 0.040 0.000 0.623 226 A CB -1.117 17.934 19.000 0.085 0.000 0.826 226 A HN 0.380 nan 8.150 nan 0.000 0.444 227 T N -0.445 114.161 114.554 0.087 0.000 2.652 227 T HA -0.142 4.204 4.350 -0.006 0.000 0.267 227 T C 1.830 176.548 174.700 0.030 0.000 1.039 227 T CA 1.657 63.796 62.100 0.064 0.000 1.153 227 T CB -0.519 68.384 68.868 0.058 0.000 0.863 227 T HN 0.340 nan 8.240 nan 0.000 0.428 228 L N 0.342 121.576 121.223 0.018 0.000 1.991 228 L HA -0.184 4.152 4.340 -0.006 0.000 0.221 228 L C 2.709 179.573 176.870 -0.011 0.000 1.079 228 L CA 1.845 56.685 54.840 0.001 0.000 0.778 228 L CB -0.587 41.468 42.059 -0.007 0.000 0.893 228 L HN 0.350 nan 8.230 nan 0.000 0.437 229 L N -0.781 120.430 121.223 -0.019 0.000 2.012 229 L HA -0.264 4.073 4.340 -0.006 0.000 0.210 229 L C 2.582 179.432 176.870 -0.034 0.000 1.073 229 L CA 1.557 56.374 54.840 -0.039 0.000 0.748 229 L CB -0.587 41.437 42.059 -0.058 0.000 0.891 229 L HN 0.365 nan 8.230 nan 0.000 0.431 230 E N 0.958 121.151 120.200 -0.011 0.000 2.209 230 E HA -0.267 4.080 4.350 -0.006 0.000 0.196 230 E C 1.961 178.558 176.600 -0.005 0.000 0.993 230 E CA 1.361 57.759 56.400 -0.003 0.000 0.819 230 E CB 0.179 29.898 29.700 0.031 0.000 0.745 230 E HN 0.420 nan 8.360 nan 0.000 0.477 231 K N 0.535 120.933 120.400 -0.004 0.000 2.296 231 K HA -0.032 4.285 4.320 -0.006 0.000 0.200 231 K C 0.758 177.349 176.600 -0.014 0.000 1.048 231 K CA 0.379 56.663 56.287 -0.005 0.000 0.966 231 K CB -0.014 32.485 32.500 -0.002 0.000 0.754 231 K HN -0.110 nan 8.250 nan 0.000 0.466 232 N N 1.946 120.632 118.700 -0.024 0.000 2.497 232 N HA -0.009 4.727 4.740 -0.006 0.000 0.271 232 N C 0.219 175.709 175.510 -0.033 0.000 1.142 232 N CA -0.000 53.031 53.050 -0.030 0.000 0.965 232 N CB 1.038 39.501 38.487 -0.041 0.000 1.077 232 N HN 0.484 nan 8.380 nan 0.000 0.462 233 K N 2.466 122.850 120.400 -0.027 0.000 2.366 233 K HA 0.077 4.393 4.320 -0.006 0.000 0.198 233 K C 0.474 177.056 176.600 -0.030 0.000 1.044 233 K CA 0.787 57.060 56.287 -0.024 0.000 0.973 233 K CB 0.254 32.745 32.500 -0.016 0.000 0.767 233 K HN 0.349 nan 8.250 nan 0.000 0.475 234 N N 0.625 119.303 118.700 -0.037 0.000 2.422 234 N HA 0.129 4.865 4.740 -0.006 0.000 0.181 234 N C -0.038 175.435 175.510 -0.062 0.000 1.080 234 N CA 0.466 53.492 53.050 -0.041 0.000 0.893 234 N CB 0.478 38.941 38.487 -0.039 0.000 0.973 234 N HN 0.239 nan 8.380 nan 0.000 0.456 235 I N 0.698 121.218 120.570 -0.082 0.000 2.474 235 I HA 0.188 4.354 4.170 -0.006 0.000 0.294 235 I C -0.165 175.848 176.117 -0.173 0.000 1.005 235 I CA -0.709 60.509 61.300 -0.137 0.000 1.113 235 I CB 2.461 40.385 38.000 -0.126 0.000 1.289 235 I HN -0.195 nan 8.210 nan 0.000 0.436 236 E N 6.175 126.178 120.200 -0.327 0.000 2.113 236 E HA 0.479 4.825 4.350 -0.006 0.000 0.273 236 E C -1.330 175.074 176.600 -0.326 0.000 0.924 236 E CA -0.460 55.736 56.400 -0.339 0.000 0.764 236 E CB 1.480 30.879 29.700 -0.502 0.000 1.104 236 E HN 0.456 nan 8.360 nan 0.000 0.406 240 S N 2.321 118.115 115.700 0.156 0.000 2.690 240 S HA 0.888 5.355 4.470 -0.006 0.000 0.291 240 S C -2.593 172.065 174.600 0.097 0.000 1.138 240 S CA -1.700 56.571 58.200 0.118 0.000 1.013 240 S CB 1.288 64.557 63.200 0.114 0.000 1.053 240 S HN 0.581 nan 8.310 nan 0.000 0.539 241 P HA 0.183 nan 4.420 nan 0.000 0.271 241 P C -0.277 177.049 177.300 0.044 0.000 1.216 241 P CA -0.086 63.042 63.100 0.047 0.000 0.776 241 P CB 0.944 32.657 31.700 0.021 0.000 0.881 242 S N 2.665 118.397 115.700 0.052 0.000 2.801 242 S HA 0.813 5.279 4.470 -0.006 0.000 0.312 242 S C 0.268 174.895 174.600 0.046 0.000 1.112 242 S CA -0.780 57.451 58.200 0.051 0.000 0.943 242 S CB 0.785 64.036 63.200 0.085 0.000 1.269 242 S HN 0.523 nan 8.310 nan 0.000 0.558 246 R N 2.990 123.619 120.500 0.214 0.000 2.393 246 R HA 0.715 5.051 4.340 -0.006 0.000 0.310 246 R C -1.020 175.398 176.300 0.197 0.000 0.968 246 R CA -0.430 55.757 56.100 0.144 0.000 0.867 246 R CB 0.916 31.331 30.300 0.191 0.000 1.124 246 R HN 0.794 nan 8.270 nan 0.000 0.450 247 Y N -1.139 119.111 120.300 -0.083 0.000 2.713 247 Y HA 0.607 5.154 4.550 -0.005 0.000 0.335 247 Y C -1.203 174.566 175.900 -0.218 0.000 1.222 247 Y CA -1.297 56.677 58.100 -0.211 0.000 1.061 247 Y CB 1.287 39.363 38.460 -0.640 0.000 1.314 247 Y HN 0.344 nan 8.280 nan 0.000 0.453 248 I N 3.044 123.573 120.570 -0.068 0.000 2.418 248 I HA 0.468 4.635 4.170 -0.006 0.000 0.287 248 I C -0.229 175.832 176.117 -0.094 0.000 1.008 248 I CA -0.658 60.582 61.300 -0.099 0.000 1.104 248 I CB 2.036 40.025 38.000 -0.019 0.000 1.264 248 I HN 0.840 nan 8.210 nan 0.000 0.438 252 V N 0.399 120.349 119.914 0.060 0.000 3.284 252 V HA -0.046 4.071 4.120 -0.006 0.000 0.273 252 V C 1.305 177.438 176.094 0.065 0.000 1.178 252 V CA 2.125 64.493 62.300 0.114 0.000 1.177 252 V CB -1.255 30.674 31.823 0.178 0.000 0.793 252 V HN 0.702 nan 8.190 nan 0.000 0.536 253 T N -3.108 111.435 114.554 -0.019 0.000 3.248 253 T HA 0.446 4.792 4.350 -0.006 0.000 0.271 253 T C 0.357 175.013 174.700 -0.073 0.000 1.005 253 T CA -0.442 61.622 62.100 -0.059 0.000 0.902 253 T CB 0.262 69.039 68.868 -0.152 0.000 1.102 253 T HN 0.512 nan 8.240 nan 0.000 0.548 254 Q N 0.272 120.063 119.800 -0.015 0.000 2.687 254 Q HA 0.543 4.879 4.340 -0.006 0.000 0.305 254 Q C 0.230 176.209 176.000 -0.035 0.000 1.006 254 Q CA -0.854 54.934 55.803 -0.025 0.000 0.763 254 Q CB 1.791 30.509 28.738 -0.034 0.000 1.506 254 Q HN 0.044 nan 8.270 nan 0.000 0.459 255 K N 0.753 121.090 120.400 -0.106 0.000 2.437 255 K HA -0.255 4.062 4.320 -0.006 0.000 0.102 255 K C -1.295 175.062 176.600 -0.405 0.000 0.834 255 K CA 2.613 58.748 56.287 -0.254 0.000 0.752 255 K CB -1.730 30.574 32.500 -0.326 0.000 0.366 255 K HN 0.506 nan 8.250 nan 0.000 1.047 256 P HA 0.050 nan 4.420 nan 0.000 0.252 256 P C 0.790 177.726 177.300 -0.608 0.000 1.218 256 P CA 0.894 63.484 63.100 -0.850 0.000 0.807 256 P CB 0.197 30.892 31.700 -1.676 0.000 1.072 257 F N 2.362 122.176 119.950 -0.227 0.000 2.641 257 F HA -0.097 4.426 4.527 -0.006 0.000 0.298 257 F C 2.051 177.821 175.800 -0.050 0.000 1.146 257 F CA 0.812 58.747 58.000 -0.109 0.000 1.464 257 F CB -1.097 37.849 39.000 -0.090 0.000 1.101 257 F HN 0.064 nan 8.300 nan 0.000 0.585 258 D N -0.662 119.772 120.400 0.057 0.000 2.224 258 D HA -0.161 4.475 4.640 -0.006 0.000 0.205 258 D C 0.622 176.957 176.300 0.057 0.000 0.965 258 D CA 0.430 54.463 54.000 0.055 0.000 0.852 258 D CB -0.655 40.154 40.800 0.016 0.000 0.947 258 D HN 0.200 nan 8.370 nan 0.000 0.494 259 N N 2.189 120.911 118.700 0.036 0.000 2.405 259 N HA 0.029 4.765 4.740 -0.006 0.000 0.260 259 N C -1.499 174.058 175.510 0.078 0.000 1.152 259 N CA -1.394 51.689 53.050 0.054 0.000 0.948 259 N CB 1.698 40.220 38.487 0.058 0.000 1.111 259 N HN -0.051 nan 8.380 nan 0.000 0.485 260 P HA -0.136 nan 4.420 nan 0.000 0.221 260 P C 0.699 178.064 177.300 0.108 0.000 1.145 260 P CA 1.139 64.299 63.100 0.099 0.000 0.795 260 P CB 0.529 32.282 31.700 0.089 0.000 0.775 261 K N -0.326 120.136 120.400 0.104 0.000 2.155 261 K HA -0.024 4.292 4.320 -0.006 0.000 0.203 261 K C 2.081 178.756 176.600 0.125 0.000 1.052 261 K CA 0.837 57.194 56.287 0.117 0.000 0.948 261 K CB -0.339 32.224 32.500 0.105 0.000 0.728 261 K HN 0.011 nan 8.250 nan 0.000 0.448 262 V N 1.269 121.246 119.914 0.104 0.000 2.307 262 V HA -0.224 3.892 4.120 -0.006 0.000 0.245 262 V C 2.186 178.361 176.094 0.135 0.000 1.045 262 V CA 1.574 63.931 62.300 0.095 0.000 1.024 262 V CB -0.438 31.378 31.823 -0.012 0.000 0.651 262 V HN 0.276 nan 8.190 nan 0.000 0.449 263 R N -0.044 120.543 120.500 0.146 0.000 2.091 263 R HA -0.235 4.101 4.340 -0.006 0.000 0.238 263 R C 2.402 178.717 176.300 0.024 0.000 1.136 263 R CA 1.945 58.112 56.100 0.113 0.000 0.959 263 R CB -0.375 29.989 30.300 0.107 0.000 0.856 263 R HN 0.669 nan 8.270 nan 0.000 0.437 264 E N 0.610 120.872 120.200 0.104 0.000 2.110 264 E HA -0.177 4.169 4.350 -0.006 0.000 0.193 264 E C 1.873 178.628 176.600 0.257 0.000 0.988 264 E CA 1.054 57.573 56.400 0.199 0.000 0.804 264 E CB 0.015 29.912 29.700 0.328 0.000 0.745 264 E HN 0.350 nan 8.360 nan 0.000 0.458 265 A N 1.599 124.555 122.820 0.227 0.000 1.835 265 A HA -0.161 4.156 4.320 -0.006 0.000 0.215 265 A C 2.228 179.917 177.584 0.174 0.000 1.199 265 A CA 1.429 53.610 52.037 0.241 0.000 0.615 265 A CB -0.991 18.090 19.000 0.134 0.000 0.838 265 A HN 0.341 nan 8.150 nan 0.000 0.444 266 L N -0.438 120.831 121.223 0.077 0.000 2.270 266 L HA -0.259 4.077 4.340 -0.006 0.000 0.217 266 L C 1.989 178.808 176.870 -0.086 0.000 1.107 266 L CA 1.643 56.497 54.840 0.024 0.000 0.772 266 L CB -0.845 41.253 42.059 0.065 0.000 0.902 266 L HN 0.475 nan 8.230 nan 0.000 0.439 267 N N -1.393 117.138 118.700 -0.282 0.000 2.409 267 N HA -0.118 4.619 4.740 -0.006 0.000 0.179 267 N C 1.546 176.808 175.510 -0.414 0.000 1.032 267 N CA 0.647 53.282 53.050 -0.692 0.000 0.898 267 N CB -0.014 37.365 38.487 -1.846 0.000 0.971 267 N HN 0.299 nan 8.380 nan 0.000 0.441 268 Y N 0.003 120.261 120.300 -0.069 0.000 2.420 268 Y HA 0.186 4.733 4.550 -0.006 0.000 0.292 268 Y C 2.192 178.174 175.900 0.137 0.000 1.119 268 Y CA 0.451 58.626 58.100 0.126 0.000 1.229 268 Y CB -0.053 38.481 38.460 0.123 0.000 1.026 268 Y HN 0.041 nan 8.280 nan 0.000 0.554 269 A N 0.222 123.179 122.820 0.229 0.000 2.019 269 A HA -0.064 4.252 4.320 -0.006 0.000 0.219 269 A C 0.834 178.599 177.584 0.302 0.000 1.164 269 A CA 0.855 53.012 52.037 0.200 0.000 0.644 269 A CB -0.678 18.370 19.000 0.081 0.000 0.805 269 A HN 0.171 nan 8.150 nan 0.000 0.449 270 I N 0.759 121.465 120.570 0.226 0.000 2.342 270 I HA 0.149 4.315 4.170 -0.006 0.000 0.291 270 I C -0.185 176.030 176.117 0.164 0.000 1.010 270 I CA -0.697 60.706 61.300 0.172 0.000 1.308 270 I CB 0.477 38.541 38.000 0.108 0.000 1.400 270 I HN 0.126 nan 8.210 nan 0.000 0.488 271 N N 6.647 125.280 118.700 -0.112 0.000 2.521 271 N HA 0.176 4.912 4.740 -0.006 0.000 0.236 271 N C 1.044 176.543 175.510 -0.019 0.000 1.067 271 N CA -0.117 52.693 53.050 -0.400 0.000 0.939 271 N CB 0.574 38.532 38.487 -0.882 0.000 1.201 271 N HN 0.431 nan 8.380 nan 0.000 0.511 272 R N 3.044 123.566 120.500 0.036 0.000 2.066 272 R HA -0.066 4.270 4.340 -0.006 0.000 0.232 272 R C -0.846 175.436 176.300 -0.029 0.000 1.131 272 R CA 1.324 57.444 56.100 0.034 0.000 0.955 272 R CB -0.837 29.514 30.300 0.086 0.000 0.851 272 R HN 0.457 nan 8.270 nan 0.000 0.432 273 P HA -0.134 nan 4.420 nan 0.000 0.218 273 P C 0.831 178.078 177.300 -0.088 0.000 1.148 273 P CA 1.682 64.759 63.100 -0.039 0.000 0.822 273 P CB 0.048 31.743 31.700 -0.008 0.000 0.784 274 A N -0.679 122.075 122.820 -0.109 0.000 1.897 274 A HA -0.138 4.179 4.320 -0.006 0.000 0.215 274 A C 2.081 179.428 177.584 -0.395 0.000 1.181 274 A CA 1.208 53.155 52.037 -0.151 0.000 0.620 274 A CB -1.606 17.381 19.000 -0.021 0.000 0.821 274 A HN 0.164 nan 8.150 nan 0.000 0.443 275 L N 0.796 121.673 121.223 -0.577 0.000 2.042 275 L HA -0.141 4.196 4.340 -0.006 0.000 0.210 275 L C 2.497 179.202 176.870 -0.276 0.000 1.076 275 L CA 2.504 56.844 54.840 -0.834 0.000 0.749 275 L CB -0.631 41.119 42.059 -0.516 0.000 0.893 275 L HN 0.395 nan 8.230 nan 0.000 0.432 276 V N -2.563 117.284 119.914 -0.112 0.000 2.490 276 V HA -0.248 3.868 4.120 -0.006 0.000 0.250 276 V C 2.409 178.499 176.094 -0.007 0.000 1.061 276 V CA 2.039 64.359 62.300 0.032 0.000 1.064 276 V CB -0.902 30.883 31.823 -0.064 0.000 0.670 276 V HN 0.541 nan 8.190 nan 0.000 0.461 277 K N 0.176 120.507 120.400 -0.116 0.000 2.044 277 K HA 0.066 4.382 4.320 -0.006 0.000 0.204 277 K C 2.200 178.716 176.600 -0.139 0.000 1.049 277 K CA 1.421 57.629 56.287 -0.131 0.000 0.945 277 K CB -0.308 32.120 32.500 -0.120 0.000 0.724 277 K HN 0.443 nan 8.250 nan 0.000 0.440 278 V N 0.934 120.729 119.914 -0.197 0.000 2.453 278 V HA -0.156 3.960 4.120 -0.006 0.000 0.247 278 V C 1.999 177.980 176.094 -0.190 0.000 1.048 278 V CA 2.078 64.265 62.300 -0.188 0.000 1.049 278 V CB -0.128 31.537 31.823 -0.263 0.000 0.672 278 V HN 0.361 nan 8.190 nan 0.000 0.457 279 A N -2.231 120.441 122.820 -0.247 0.000 2.229 279 A HA 0.297 4.613 4.320 -0.006 0.000 0.211 279 A C 1.442 178.666 177.584 -0.601 0.000 1.193 279 A CA 0.269 52.060 52.037 -0.411 0.000 0.879 279 A CB 0.072 18.742 19.000 -0.549 0.000 0.911 279 A HN 0.487 nan 8.150 nan 0.000 0.492 280 F N -1.525 118.373 119.950 -0.085 0.000 2.781 280 F HA 0.500 5.023 4.527 -0.005 0.000 0.322 280 F C 1.325 176.763 175.800 -0.603 0.000 1.108 280 F CA 0.175 58.087 58.000 -0.146 0.000 1.179 280 F CB 0.613 39.592 39.000 -0.035 0.000 1.072 280 F HN 0.197 nan 8.300 nan 0.000 0.545 281 A N 0.419 123.052 122.820 -0.311 0.000 2.822 281 A HA 0.038 4.355 4.320 -0.006 0.000 0.287 281 A C 1.809 179.133 177.584 -0.433 0.000 1.479 281 A CA 1.149 52.979 52.037 -0.344 0.000 0.779 281 A CB -2.010 16.731 19.000 -0.431 0.000 1.022 281 A HN 1.586 nan 8.150 nan 0.000 0.532 282 G N -3.265 105.349 108.800 -0.311 0.000 2.184 282 G HA2 -0.343 3.614 3.960 -0.006 0.000 0.264 282 G HA3 -0.343 3.614 3.960 -0.006 0.000 0.264 282 G C 0.103 174.732 174.900 -0.451 0.000 0.975 282 G CA 0.884 45.760 45.100 -0.372 0.000 0.642 282 G HN 1.481 nan 8.290 nan 0.000 0.536 283 Y N 1.146 121.367 120.300 -0.132 0.000 2.832 283 Y HA 0.579 5.125 4.550 -0.007 0.000 0.372 283 Y C 0.935 176.829 175.900 -0.011 0.000 1.238 283 Y CA 0.398 58.469 58.100 -0.048 0.000 1.713 283 Y CB 0.129 38.572 38.460 -0.028 0.000 1.809 283 Y HN 0.782 nan 8.280 nan 0.000 0.472 284 A N 0.049 122.867 122.820 -0.002 0.000 2.490 284 A HA 0.698 5.014 4.320 -0.006 0.000 0.292 284 A C -0.675 176.845 177.584 -0.107 0.000 1.047 284 A CA -0.577 51.388 52.037 -0.120 0.000 0.632 284 A CB 0.686 19.418 19.000 -0.448 0.000 1.323 284 A HN 0.175 nan 8.150 nan 0.000 0.448 285 T N -1.196 113.296 114.554 -0.104 0.000 2.903 285 T HA 0.812 5.158 4.350 -0.006 0.000 0.299 285 T C -3.281 171.397 174.700 -0.037 0.000 1.093 285 T CA -2.010 60.058 62.100 -0.053 0.000 1.002 285 T CB 1.735 70.593 68.868 -0.017 0.000 1.127 285 T HN 0.375 nan 8.240 nan 0.000 0.488 286 P HA 0.382 nan 4.420 nan 0.000 0.268 286 P C -0.560 176.801 177.300 0.102 0.000 1.204 286 P CA -0.236 62.897 63.100 0.055 0.000 0.768 286 P CB 0.205 31.954 31.700 0.082 0.000 0.842 287 A N 2.767 125.681 122.820 0.157 0.000 2.409 287 A HA 0.377 4.693 4.320 -0.006 0.000 0.262 287 A C 0.897 178.671 177.584 0.318 0.000 1.113 287 A CA 0.227 52.398 52.037 0.224 0.000 0.790 287 A CB -0.461 18.711 19.000 0.286 0.000 1.046 287 A HN 0.608 nan 8.150 nan 0.000 0.496 288 T N -0.200 114.478 114.554 0.206 0.000 3.293 288 T HA 0.581 4.927 4.350 -0.006 0.000 0.276 288 T C 0.367 174.967 174.700 -0.167 0.000 1.003 288 T CA 0.213 62.380 62.100 0.111 0.000 0.916 288 T CB -0.276 68.603 68.868 0.019 0.000 1.134 288 T HN 1.711 nan 8.240 nan 0.000 0.530 289 G N 0.200 109.020 108.800 0.034 0.000 2.441 289 G HA2 0.418 4.374 3.960 -0.006 0.000 0.294 289 G HA3 0.418 4.374 3.960 -0.006 0.000 0.294 289 G C 0.018 175.168 174.900 0.415 0.000 1.393 289 G CA -0.126 44.986 45.100 0.021 0.000 0.796 289 G HN 0.580 nan 8.290 nan 0.000 0.494 290 V N -2.668 117.476 119.914 0.383 0.000 3.644 290 V HA 0.456 4.572 4.120 -0.006 0.000 0.267 290 V C 0.387 176.693 176.094 0.354 0.000 1.277 290 V CA 0.030 62.578 62.300 0.412 0.000 1.096 290 V CB 0.202 32.095 31.823 0.116 0.000 0.828 290 V HN 0.542 nan 8.190 nan 0.000 0.446 291 V N 1.926 121.984 119.914 0.240 0.000 2.487 291 V HA 0.496 4.612 4.120 -0.006 0.000 0.298 291 V C -2.568 173.614 176.094 0.147 0.000 1.028 291 V CA -1.993 60.426 62.300 0.197 0.000 0.860 291 V CB 1.682 33.584 31.823 0.132 0.000 0.991 291 V HN 0.222 nan 8.190 nan 0.000 0.427 292 P HA 0.073 nan 4.420 nan 0.000 0.262 292 P C -1.792 175.539 177.300 0.051 0.000 1.182 292 P CA -0.816 62.346 63.100 0.105 0.000 0.761 292 P CB 0.261 32.028 31.700 0.111 0.000 0.795 293 P HA -0.151 nan 4.420 nan 0.000 0.223 293 P C 0.801 178.083 177.300 -0.030 0.000 1.144 293 P CA 1.349 64.436 63.100 -0.021 0.000 0.783 293 P CB 0.005 31.684 31.700 -0.035 0.000 0.771 294 S N -0.629 115.062 115.700 -0.015 0.000 2.453 294 S HA 0.016 4.482 4.470 -0.006 0.000 0.231 294 S C 1.250 175.825 174.600 -0.043 0.000 1.005 294 S CA 0.237 58.418 58.200 -0.031 0.000 0.949 294 S CB -0.349 62.839 63.200 -0.019 0.000 0.774 294 S HN 0.061 nan 8.310 nan 0.000 0.510 295 I N 2.266 122.823 120.570 -0.021 0.000 2.696 295 I HA 0.222 4.388 4.170 -0.006 0.000 0.284 295 I C 0.839 176.901 176.117 -0.092 0.000 1.129 295 I CA -0.781 60.501 61.300 -0.029 0.000 1.410 295 I CB -0.002 38.014 38.000 0.027 0.000 1.399 295 I HN 0.060 nan 8.210 nan 0.000 0.579 296 A N 5.213 127.939 122.820 -0.157 0.000 2.440 296 A HA 0.290 4.606 4.320 -0.006 0.000 0.251 296 A C 0.146 177.552 177.584 -0.295 0.000 1.089 296 A CA 0.096 51.915 52.037 -0.363 0.000 0.779 296 A CB -0.438 18.230 19.000 -0.554 0.000 1.022 296 A HN 0.846 nan 8.150 nan 0.000 0.492 297 Y N -1.306 118.947 120.300 -0.078 0.000 4.936 297 Y HA -0.284 4.259 4.550 -0.012 0.000 0.260 297 Y C 1.263 177.119 175.900 -0.073 0.000 0.928 297 Y CA 0.399 58.456 58.100 -0.071 0.000 1.869 297 Y CB -2.037 36.344 38.460 -0.131 0.000 1.344 297 Y HN 1.089 nan 8.280 nan 0.000 0.521 298 A N 0.948 123.781 122.820 0.021 0.000 2.429 298 A HA 0.438 4.754 4.320 -0.006 0.000 0.242 298 A C 0.397 177.950 177.584 -0.051 0.000 1.088 298 A CA 0.229 52.264 52.037 -0.002 0.000 0.784 298 A CB 0.359 19.350 19.000 -0.016 0.000 1.038 298 A HN 0.288 nan 8.150 nan 0.000 0.501 299 Q N -0.230 119.508 119.800 -0.103 0.000 2.423 299 Q HA 0.594 4.931 4.340 -0.006 0.000 0.278 299 Q C -0.831 174.864 176.000 -0.508 0.000 1.097 299 Q CA -0.438 55.184 55.803 -0.302 0.000 0.809 299 Q CB 2.148 30.700 28.738 -0.311 0.000 1.391 299 Q HN 0.913 nan 8.270 nan 0.000 0.428 300 S N 0.443 115.704 115.700 -0.732 0.000 2.568 300 S HA 0.859 5.326 4.470 -0.006 0.000 0.293 300 S C -1.047 172.888 174.600 -1.109 0.000 1.089 300 S CA -0.518 57.249 58.200 -0.721 0.000 0.945 300 S CB 1.143 64.130 63.200 -0.354 0.000 1.077 300 S HN 0.451 nan 8.310 nan 0.000 0.485 301 Y N -0.144 119.825 120.300 -0.552 0.000 2.665 301 Y HA 0.522 5.068 4.550 -0.006 0.000 0.336 301 Y C 0.115 175.843 175.900 -0.286 0.000 1.085 301 Y CA -1.484 56.303 58.100 -0.522 0.000 1.096 301 Y CB 1.105 38.957 38.460 -1.012 0.000 1.301 301 Y HN 0.552 nan 8.280 nan 0.000 0.493 302 K N 3.500 123.907 120.400 0.012 0.000 2.451 302 K HA 0.113 4.429 4.320 -0.006 0.000 0.280 302 K C -2.388 174.268 176.600 0.093 0.000 1.020 302 K CA -1.338 54.967 56.287 0.029 0.000 1.008 302 K CB -0.177 32.337 32.500 0.023 0.000 0.917 302 K HN 0.330 nan 8.250 nan 0.000 0.478 303 P HA -0.089 nan 4.420 nan 0.000 0.268 303 P C -0.847 176.568 177.300 0.192 0.000 1.208 303 P CA -0.038 63.195 63.100 0.223 0.000 0.777 303 P CB 0.457 32.266 31.700 0.181 0.000 0.875 304 W N 2.964 124.381 121.300 0.196 0.000 2.266 304 W HA 0.214 4.870 4.660 -0.006 0.000 0.317 304 W C -1.228 175.327 176.519 0.060 0.000 1.310 304 W CA -0.910 56.458 57.345 0.039 0.000 1.207 304 W CB -0.344 29.077 29.460 -0.065 0.000 1.199 304 W HN 0.359 nan 8.180 nan 0.000 0.544 305 P HA 0.038 nan 4.420 nan 0.000 0.276 305 P C -1.544 176.009 177.300 0.421 0.000 1.261 305 P CA -0.423 62.868 63.100 0.319 0.000 0.800 305 P CB 0.870 32.754 31.700 0.306 0.000 1.066 306 Y N 1.002 121.454 120.300 0.252 0.000 2.335 306 Y HA 0.467 5.013 4.550 -0.006 0.000 0.339 306 Y C -0.917 175.125 175.900 0.237 0.000 0.987 306 Y CA -0.825 57.413 58.100 0.231 0.000 1.140 306 Y CB 0.549 39.109 38.460 0.168 0.000 1.173 306 Y HN 0.227 nan 8.280 nan 0.000 0.486 307 D N 8.554 128.892 120.400 -0.105 0.000 2.445 307 D HA 0.255 4.891 4.640 -0.006 0.000 0.236 307 D C -2.521 173.652 176.300 -0.212 0.000 1.315 307 D CA -1.657 52.215 54.000 -0.213 0.000 0.924 307 D CB 1.835 42.630 40.800 -0.007 0.000 1.447 307 D HN 0.286 nan 8.370 nan 0.000 0.532 308 P HA -0.106 nan 4.420 nan 0.000 0.218 308 P C 1.609 178.833 177.300 -0.127 0.000 1.148 308 P CA 0.512 63.508 63.100 -0.174 0.000 0.822 308 P CB 0.642 32.236 31.700 -0.177 0.000 0.784 309 V N 0.331 120.158 119.914 -0.144 0.000 2.270 309 V HA -0.236 3.881 4.120 -0.006 0.000 0.245 309 V C 2.508 178.524 176.094 -0.130 0.000 1.043 309 V CA 1.971 64.204 62.300 -0.112 0.000 1.014 309 V CB -1.023 30.741 31.823 -0.099 0.000 0.645 309 V HN 0.076 nan 8.190 nan 0.000 0.447 310 K N 1.428 121.714 120.400 -0.190 0.000 2.063 310 K HA -0.140 4.176 4.320 -0.006 0.000 0.208 310 K C 2.025 178.473 176.600 -0.253 0.000 1.048 310 K CA 2.014 58.129 56.287 -0.287 0.000 0.928 310 K CB -0.866 31.306 32.500 -0.546 0.000 0.713 310 K HN 0.365 nan 8.250 nan 0.000 0.442 311 A N 0.985 123.692 122.820 -0.187 0.000 1.865 311 A HA -0.175 4.142 4.320 -0.006 0.000 0.217 311 A C 2.235 179.797 177.584 -0.037 0.000 1.191 311 A CA 1.902 53.904 52.037 -0.059 0.000 0.623 311 A CB -0.594 18.418 19.000 0.020 0.000 0.826 311 A HN 0.400 nan 8.150 nan 0.000 0.444 312 R N -0.775 119.696 120.500 -0.049 0.000 2.096 312 R HA -0.156 4.181 4.340 -0.006 0.000 0.235 312 R C 2.339 178.628 176.300 -0.018 0.000 1.127 312 R CA 1.450 57.531 56.100 -0.031 0.000 0.968 312 R CB -0.334 29.943 30.300 -0.039 0.000 0.861 312 R HN 0.792 nan 8.270 nan 0.000 0.440 313 E N 1.030 121.206 120.200 -0.040 0.000 2.058 313 E HA -0.208 4.138 4.350 -0.006 0.000 0.194 313 E C 2.032 178.627 176.600 -0.008 0.000 0.997 313 E CA 1.080 57.461 56.400 -0.031 0.000 0.801 313 E CB -0.024 29.643 29.700 -0.055 0.000 0.746 313 E HN 0.271 nan 8.360 nan 0.000 0.450 314 L N 0.607 121.822 121.223 -0.013 0.000 2.046 314 L HA -0.212 4.124 4.340 -0.006 0.000 0.208 314 L C 2.578 179.494 176.870 0.076 0.000 1.077 314 L CA 0.860 55.717 54.840 0.027 0.000 0.747 314 L CB -0.227 41.852 42.059 0.033 0.000 0.896 314 L HN 0.261 nan 8.230 nan 0.000 0.432 315 L N -0.511 120.762 121.223 0.084 0.000 2.131 315 L HA -0.246 4.090 4.340 -0.006 0.000 0.210 315 L C 2.608 179.594 176.870 0.194 0.000 1.092 315 L CA 1.183 56.117 54.840 0.156 0.000 0.759 315 L CB -0.444 41.683 42.059 0.114 0.000 0.903 315 L HN 0.267 nan 8.230 nan 0.000 0.435 316 K N 0.590 121.051 120.400 0.102 0.000 2.001 316 K HA -0.191 4.125 4.320 -0.006 0.000 0.208 316 K C 1.947 178.577 176.600 0.050 0.000 1.048 316 K CA 1.442 57.769 56.287 0.067 0.000 0.932 316 K CB 0.011 32.528 32.500 0.029 0.000 0.715 316 K HN 0.239 nan 8.250 nan 0.000 0.437 317 E N 0.022 120.249 120.200 0.045 0.000 2.097 317 E HA -0.242 4.105 4.350 -0.006 0.000 0.196 317 E C 1.916 178.545 176.600 0.047 0.000 1.000 317 E CA 1.273 57.693 56.400 0.033 0.000 0.804 317 E CB -0.184 29.536 29.700 0.033 0.000 0.740 317 E HN 0.457 nan 8.360 nan 0.000 0.454 318 A N -0.002 122.880 122.820 0.103 0.000 1.978 318 A HA -0.038 4.278 4.320 -0.006 0.000 0.220 318 A C 1.912 179.534 177.584 0.063 0.000 1.170 318 A CA 1.671 53.802 52.037 0.155 0.000 0.636 318 A CB -0.334 18.842 19.000 0.293 0.000 0.810 318 A HN 0.431 nan 8.150 nan 0.000 0.448 319 G N -3.708 105.087 108.800 -0.010 0.000 2.155 319 G HA2 -0.102 3.855 3.960 -0.006 0.000 0.130 319 G HA3 -0.102 3.855 3.960 -0.006 0.000 0.130 319 G C -0.258 174.341 174.900 -0.502 0.000 1.027 319 G CA -0.033 44.899 45.100 -0.280 0.000 0.705 319 G HN 0.438 nan 8.290 nan 0.000 0.496 320 Y N -0.160 120.159 120.300 0.033 0.000 2.837 320 Y HA 0.440 4.987 4.550 -0.006 0.000 0.356 320 Y C -1.631 174.289 175.900 0.033 0.000 1.035 320 Y CA -2.367 55.768 58.100 0.059 0.000 1.165 320 Y CB 1.615 40.166 38.460 0.151 0.000 1.147 320 Y HN 0.008 nan 8.280 nan 0.000 0.628 321 P HA -0.102 nan 4.420 nan 0.000 0.223 321 P C -0.313 177.016 177.300 0.049 0.000 1.144 321 P CA 1.542 64.671 63.100 0.048 0.000 0.783 321 P CB 0.238 31.945 31.700 0.012 0.000 0.771 322 N N -1.280 117.465 118.700 0.075 0.000 2.571 322 N HA 0.305 5.041 4.740 -0.006 0.000 0.298 322 N C 0.669 176.206 175.510 0.046 0.000 1.671 322 N CA -0.060 53.017 53.050 0.045 0.000 0.900 322 N CB 0.779 39.287 38.487 0.036 0.000 1.365 322 N HN -0.034 nan 8.380 nan 0.000 0.493 323 G N 1.844 110.672 108.800 0.046 0.000 2.614 323 G HA2 -0.316 3.640 3.960 -0.006 0.000 0.303 323 G HA3 -0.316 3.640 3.960 -0.006 0.000 0.303 323 G C -0.238 174.689 174.900 0.044 0.000 1.270 323 G CA 1.050 46.088 45.100 -0.103 0.000 0.988 323 G HN 0.523 nan 8.290 nan 0.000 0.551 324 F N -3.624 116.309 119.950 -0.028 0.000 3.132 324 F HA 0.690 5.213 4.527 -0.006 0.000 0.331 324 F C -0.579 175.195 175.800 -0.044 0.000 1.108 324 F CA -0.536 57.445 58.000 -0.032 0.000 0.858 324 F CB 0.411 39.344 39.000 -0.112 0.000 1.420 324 F HN 0.903 nan 8.300 nan 0.000 0.454 325 S N 0.249 116.166 115.700 0.361 0.000 2.532 325 S HA 0.831 5.297 4.470 -0.006 0.000 0.301 325 S C -0.670 174.137 174.600 0.345 0.000 1.083 325 S CA -0.239 58.101 58.200 0.232 0.000 1.025 325 S CB 1.955 65.233 63.200 0.131 0.000 1.056 325 S HN 0.969 nan 8.310 nan 0.000 0.494 326 T N 0.700 115.414 114.554 0.267 0.000 2.671 326 T HA 0.704 5.050 4.350 -0.006 0.000 0.300 326 T C -1.403 173.399 174.700 0.170 0.000 1.238 326 T CA -0.485 61.768 62.100 0.255 0.000 1.020 326 T CB 1.249 70.392 68.868 0.459 0.000 1.503 326 T HN 0.724 nan 8.240 nan 0.000 0.497 327 T N 0.870 115.490 114.554 0.110 0.000 2.885 327 T HA 0.752 5.098 4.350 -0.006 0.000 0.285 327 T C -1.190 173.506 174.700 -0.006 0.000 1.019 327 T CA -0.780 61.370 62.100 0.082 0.000 1.010 327 T CB 1.456 70.372 68.868 0.081 0.000 1.022 327 T HN 0.465 nan 8.240 nan 0.000 0.466 328 L N 3.550 124.863 121.223 0.149 0.000 2.388 328 L HA 0.618 4.955 4.340 -0.006 0.000 0.267 328 L C -1.719 175.408 176.870 0.428 0.000 0.995 328 L CA -0.632 54.310 54.840 0.170 0.000 0.864 328 L CB 0.542 42.688 42.059 0.145 0.000 1.216 328 L HN 0.699 nan 8.230 nan 0.000 0.430 329 W N 3.170 124.585 121.300 0.192 0.000 2.512 329 W HA 0.778 5.435 4.660 -0.006 0.000 0.335 329 W C 0.214 177.001 176.519 0.446 0.000 1.088 329 W CA -1.064 56.429 57.345 0.246 0.000 1.236 329 W CB 1.484 31.019 29.460 0.124 0.000 1.307 329 W HN 0.637 nan 8.180 nan 0.000 0.567 330 S N -0.124 115.928 115.700 0.587 0.000 2.588 330 S HA 0.571 5.038 4.470 -0.006 0.000 0.275 330 S C -0.924 173.894 174.600 0.363 0.000 1.130 330 S CA -0.885 57.562 58.200 0.412 0.000 0.855 330 S CB 1.974 65.381 63.200 0.345 0.000 1.116 330 S HN 0.306 nan 8.310 nan 0.000 0.472 331 S N 0.767 116.600 115.700 0.221 0.000 2.523 331 S HA 0.289 4.755 4.470 -0.006 0.000 0.275 331 S C -0.134 174.522 174.600 0.092 0.000 1.281 331 S CA -0.274 58.035 58.200 0.182 0.000 1.050 331 S CB -0.351 62.926 63.200 0.128 0.000 0.937 331 S HN 0.889 nan 8.310 nan 0.000 0.492 332 H N 4.272 123.347 119.070 0.008 0.000 3.070 332 H HA 0.274 4.826 4.556 -0.006 0.000 0.313 332 H C 0.258 175.503 175.328 -0.139 0.000 0.997 332 H CA 1.498 57.507 56.048 -0.065 0.000 1.438 332 H CB -0.040 29.676 29.762 -0.076 0.000 1.455 332 H HN 0.829 nan 8.280 nan 0.000 0.575 333 N N 2.424 120.699 118.700 -0.709 0.000 3.277 333 N HA 0.175 4.912 4.740 -0.006 0.000 0.278 333 N C -0.756 174.297 175.510 -0.761 0.000 1.544 333 N CA -0.922 51.686 53.050 -0.738 0.000 0.869 333 N CB 1.119 39.425 38.487 -0.301 0.000 1.584 333 N HN 0.518 nan 8.380 nan 0.000 0.564 334 H N -1.133 117.821 119.070 -0.194 0.000 2.923 334 H HA 0.407 4.959 4.556 -0.006 0.000 0.268 334 H C 0.094 175.364 175.328 -0.098 0.000 1.148 334 H CA -0.230 55.749 56.048 -0.114 0.000 1.146 334 H CB 0.644 30.346 29.762 -0.101 0.000 1.607 334 H HN 0.382 nan 8.280 nan 0.000 0.566 335 S N 0.585 116.267 115.700 -0.031 0.000 2.078 335 S HA -0.025 4.441 4.470 -0.006 0.000 0.194 335 S C 1.934 176.495 174.600 -0.064 0.000 1.346 335 S CA 0.910 59.077 58.200 -0.056 0.000 1.309 335 S CB 0.001 63.170 63.200 -0.051 0.000 0.721 335 S HN 0.527 nan 8.310 nan 0.000 0.396 336 T N -0.420 114.083 114.554 -0.086 0.000 3.081 336 T HA 0.334 4.680 4.350 -0.006 0.000 0.250 336 T C 1.674 176.297 174.700 -0.127 0.000 1.100 336 T CA 0.604 62.602 62.100 -0.170 0.000 1.038 336 T CB -0.372 68.246 68.868 -0.417 0.000 0.962 336 T HN 0.425 nan 8.240 nan 0.000 0.516 337 A N 2.203 125.028 122.820 0.008 0.000 1.903 337 A HA -0.262 4.054 4.320 -0.006 0.000 0.219 337 A C 2.462 180.068 177.584 0.037 0.000 1.191 337 A CA 2.021 54.140 52.037 0.137 0.000 0.638 337 A CB -0.992 18.118 19.000 0.184 0.000 0.823 337 A HN 0.536 nan 8.150 nan 0.000 0.451 338 Q N 0.058 119.866 119.800 0.012 0.000 2.077 338 Q HA -0.252 4.085 4.340 -0.006 0.000 0.206 338 Q C 1.953 177.946 176.000 -0.012 0.000 0.989 338 Q CA 2.372 58.183 55.803 0.014 0.000 0.853 338 Q CB -0.259 28.491 28.738 0.021 0.000 0.907 338 Q HN 0.746 nan 8.270 nan 0.000 0.418 339 K N -0.387 119.983 120.400 -0.050 0.000 2.148 339 K HA -0.060 4.256 4.320 -0.006 0.000 0.204 339 K C 2.188 178.753 176.600 -0.058 0.000 1.050 339 K CA 1.048 57.302 56.287 -0.055 0.000 0.942 339 K CB 0.085 32.525 32.500 -0.099 0.000 0.724 339 K HN 0.061 nan 8.250 nan 0.000 0.446 340 V N 1.979 121.812 119.914 -0.134 0.000 2.295 340 V HA -0.249 3.867 4.120 -0.006 0.000 0.246 340 V C 2.216 178.236 176.094 -0.123 0.000 1.049 340 V CA 1.595 63.783 62.300 -0.185 0.000 1.024 340 V CB -0.399 31.161 31.823 -0.439 0.000 0.648 340 V HN 0.268 nan 8.190 nan 0.000 0.447 341 L N -0.364 120.789 121.223 -0.117 0.000 1.989 341 L HA -0.282 4.055 4.340 -0.006 0.000 0.211 341 L C 2.680 179.553 176.870 0.006 0.000 1.071 341 L CA 2.305 57.117 54.840 -0.046 0.000 0.749 341 L CB -0.781 41.291 42.059 0.021 0.000 0.890 341 L HN 0.399 nan 8.230 nan 0.000 0.431 342 Q N -0.271 119.545 119.800 0.027 0.000 2.135 342 Q HA -0.275 4.061 4.340 -0.006 0.000 0.204 342 Q C 2.214 178.243 176.000 0.049 0.000 0.981 342 Q CA 2.010 57.834 55.803 0.036 0.000 0.856 342 Q CB -0.188 28.576 28.738 0.042 0.000 0.902 342 Q HN 0.427 nan 8.270 nan 0.000 0.425 343 F N 0.570 120.482 119.950 -0.064 0.000 2.128 343 F HA -0.127 4.397 4.527 -0.006 0.000 0.295 343 F C 2.116 177.881 175.800 -0.058 0.000 1.100 343 F CA 1.921 59.885 58.000 -0.060 0.000 1.260 343 F CB -0.579 38.377 39.000 -0.073 0.000 1.009 343 F HN 0.003 nan 8.300 nan 0.000 0.476 344 T N 0.727 115.293 114.554 0.021 0.000 2.674 344 T HA -0.299 4.047 4.350 -0.006 0.000 0.265 344 T C 1.837 176.464 174.700 -0.121 0.000 1.039 344 T CA 1.864 63.922 62.100 -0.070 0.000 1.150 344 T CB -0.626 68.225 68.868 -0.029 0.000 0.864 344 T HN 0.587 nan 8.240 nan 0.000 0.427 345 Q N 0.763 120.520 119.800 -0.072 0.000 2.364 345 Q HA -0.080 4.256 4.340 -0.006 0.000 0.207 345 Q C 2.136 178.079 176.000 -0.096 0.000 0.970 345 Q CA 1.206 56.974 55.803 -0.059 0.000 0.888 345 Q CB -0.194 28.535 28.738 -0.016 0.000 0.951 345 Q HN 0.554 nan 8.270 nan 0.000 0.469 346 Q N 0.005 119.716 119.800 -0.147 0.000 2.062 346 Q HA -0.121 4.216 4.340 -0.006 0.000 0.196 346 Q C 2.217 178.091 176.000 -0.210 0.000 0.967 346 Q CA 1.024 56.727 55.803 -0.166 0.000 0.832 346 Q CB 0.194 28.819 28.738 -0.188 0.000 0.899 346 Q HN 0.484 nan 8.270 nan 0.000 0.442 347 Q N 0.190 119.791 119.800 -0.332 0.000 2.124 347 Q HA -0.143 4.194 4.340 -0.006 0.000 0.202 347 Q C 2.190 178.111 176.000 -0.132 0.000 0.977 347 Q CA 1.046 56.685 55.803 -0.272 0.000 0.850 347 Q CB -0.054 28.458 28.738 -0.376 0.000 0.901 347 Q HN 0.446 nan 8.270 nan 0.000 0.429 348 L N 0.040 121.188 121.223 -0.126 0.000 2.201 348 L HA -0.118 4.218 4.340 -0.006 0.000 0.212 348 L C 2.467 179.270 176.870 -0.113 0.000 1.105 348 L CA 0.733 55.513 54.840 -0.100 0.000 0.775 348 L CB -0.554 41.453 42.059 -0.086 0.000 0.913 348 L HN 0.123 nan 8.230 nan 0.000 0.440 349 A N -0.599 122.159 122.820 -0.104 0.000 1.877 349 A HA -0.212 4.105 4.320 -0.006 0.000 0.216 349 A C 2.220 179.755 177.584 -0.081 0.000 1.186 349 A CA 1.146 53.129 52.037 -0.091 0.000 0.620 349 A CB -0.377 18.578 19.000 -0.074 0.000 0.822 349 A HN 0.342 nan 8.150 nan 0.000 0.443 350 Q N -0.243 119.513 119.800 -0.073 0.000 2.197 350 Q HA -0.141 4.196 4.340 -0.006 0.000 0.207 350 Q C 1.876 177.844 176.000 -0.053 0.000 0.984 350 Q CA 1.926 57.698 55.803 -0.051 0.000 0.869 350 Q CB -0.676 28.044 28.738 -0.031 0.000 0.906 350 Q HN 0.763 nan 8.270 nan 0.000 0.426 351 V N -4.203 115.670 119.914 -0.068 0.000 3.342 351 V HA 0.513 4.629 4.120 -0.006 0.000 0.322 351 V C 0.993 177.020 176.094 -0.112 0.000 1.370 351 V CA 0.421 62.677 62.300 -0.075 0.000 1.170 351 V CB -0.113 31.672 31.823 -0.063 0.000 1.101 351 V HN 0.283 nan 8.190 nan 0.000 0.442 352 G N 1.244 109.973 108.800 -0.117 0.000 2.147 352 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.244 352 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.244 352 G C -0.175 174.570 174.900 -0.258 0.000 1.005 352 G CA 0.271 45.285 45.100 -0.144 0.000 0.713 352 G HN 0.482 nan 8.290 nan 0.000 0.515 353 I N 0.940 121.338 120.570 -0.287 0.000 2.347 353 I HA 0.283 4.449 4.170 -0.006 0.000 0.283 353 I C 0.044 176.023 176.117 -0.231 0.000 1.058 353 I CA -1.279 59.761 61.300 -0.434 0.000 1.202 353 I CB 0.922 38.653 38.000 -0.449 0.000 1.386 353 I HN -0.016 nan 8.210 nan 0.000 0.475 354 K N 4.888 125.183 120.400 -0.175 0.000 2.278 354 K HA 0.450 4.766 4.320 -0.006 0.000 0.289 354 K C 0.231 176.825 176.600 -0.009 0.000 1.080 354 K CA 0.076 56.324 56.287 -0.064 0.000 0.934 354 K CB 0.510 32.992 32.500 -0.029 0.000 1.093 354 K HN 0.606 nan 8.250 nan 0.000 0.459 355 A N 2.784 125.609 122.820 0.009 0.000 2.276 355 A HA 0.308 4.624 4.320 -0.006 0.000 0.316 355 A C -0.582 177.051 177.584 0.081 0.000 1.229 355 A CA -0.681 51.394 52.037 0.064 0.000 0.851 355 A CB 0.785 19.822 19.000 0.061 0.000 1.165 355 A HN 0.522 nan 8.150 nan 0.000 0.513 356 Q N 2.788 122.659 119.800 0.118 0.000 2.472 356 Q HA 0.411 4.747 4.340 -0.006 0.000 0.227 356 Q C -0.482 175.630 176.000 0.187 0.000 1.156 356 Q CA -0.014 55.869 55.803 0.134 0.000 0.924 356 Q CB 0.013 28.838 28.738 0.145 0.000 1.354 356 Q HN 0.527 nan 8.270 nan 0.000 0.525 357 V N 3.465 123.469 119.914 0.151 0.000 2.999 357 V HA 0.277 4.393 4.120 -0.006 0.000 0.307 357 V C 0.154 176.356 176.094 0.181 0.000 1.084 357 V CA 0.318 62.726 62.300 0.181 0.000 1.155 357 V CB 1.210 33.105 31.823 0.121 0.000 0.975 357 V HN 0.848 nan 8.190 nan 0.000 0.490 358 T N 2.776 117.456 114.554 0.210 0.000 3.705 358 T HA 0.584 4.931 4.350 -0.006 0.000 0.342 358 T C -0.271 174.473 174.700 0.073 0.000 1.043 358 T CA 0.034 62.181 62.100 0.077 0.000 1.071 358 T CB 1.373 70.192 68.868 -0.081 0.000 1.124 358 T HN 1.016 nan 8.240 nan 0.000 0.467 362 A N -0.051 122.810 122.820 0.067 0.000 1.902 362 A HA 0.172 4.489 4.320 -0.006 0.000 0.217 362 A C 2.049 179.659 177.584 0.042 0.000 1.181 362 A CA 2.629 54.701 52.037 0.059 0.000 0.623 362 A CB -1.663 17.370 19.000 0.054 0.000 0.818 362 A HN 0.685 nan 8.150 nan 0.000 0.443 363 G N -0.431 108.383 108.800 0.023 0.000 2.511 363 G HA2 -0.282 3.674 3.960 -0.006 0.000 0.216 363 G HA3 -0.282 3.674 3.960 -0.006 0.000 0.216 363 G C 1.569 176.466 174.900 -0.004 0.000 1.218 363 G CA 1.067 46.173 45.100 0.010 0.000 0.788 363 G HN 0.660 nan 8.290 nan 0.000 0.560 364 Q N -0.237 119.542 119.800 -0.036 0.000 2.096 364 Q HA -0.107 4.229 4.340 -0.006 0.000 0.204 364 Q C 2.602 178.563 176.000 -0.064 0.000 0.982 364 Q CA 1.217 56.971 55.803 -0.081 0.000 0.850 364 Q CB -0.254 28.393 28.738 -0.152 0.000 0.901 364 Q HN 0.453 nan 8.270 nan 0.000 0.422 365 R N 0.636 121.125 120.500 -0.019 0.000 2.083 365 R HA -0.150 4.186 4.340 -0.006 0.000 0.237 365 R C 2.141 178.482 176.300 0.069 0.000 1.137 365 R CA 1.434 57.555 56.100 0.035 0.000 0.951 365 R CB -0.247 30.116 30.300 0.105 0.000 0.851 365 R HN 0.286 nan 8.270 nan 0.000 0.434 366 A N -0.210 122.652 122.820 0.070 0.000 2.067 366 A HA 0.075 4.392 4.320 -0.006 0.000 0.217 366 A C 2.060 179.687 177.584 0.071 0.000 1.156 366 A CA 1.238 53.327 52.037 0.087 0.000 0.683 366 A CB -0.231 18.815 19.000 0.076 0.000 0.808 366 A HN 0.515 nan 8.150 nan 0.000 0.455 367 A N -0.804 122.041 122.820 0.041 0.000 1.911 367 A HA 0.085 4.402 4.320 -0.006 0.000 0.212 367 A C 1.899 179.508 177.584 0.043 0.000 1.189 367 A CA 1.154 53.212 52.037 0.034 0.000 0.639 367 A CB -0.090 18.915 19.000 0.008 0.000 0.839 367 A HN 0.317 nan 8.150 nan 0.000 0.449 368 E N -0.588 119.627 120.200 0.026 0.000 2.307 368 E HA 0.090 4.436 4.350 -0.006 0.000 0.195 368 E C 1.858 178.553 176.600 0.159 0.000 0.975 368 E CA 0.803 57.249 56.400 0.077 0.000 0.878 368 E CB 0.247 29.921 29.700 -0.044 0.000 0.845 368 E HN 0.380 nan 8.360 nan 0.000 0.488 369 V N 1.183 121.149 119.914 0.087 0.000 2.602 369 V HA -0.048 4.068 4.120 -0.006 0.000 0.235 369 V C 2.017 178.154 176.094 0.072 0.000 1.087 369 V CA 0.972 63.286 62.300 0.023 0.000 1.117 369 V CB -0.215 31.504 31.823 -0.173 0.000 0.820 369 V HN 0.096 nan 8.190 nan 0.000 0.490 370 E N 1.291 121.573 120.200 0.137 0.000 2.028 370 E HA -0.020 4.327 4.350 -0.006 0.000 0.190 370 E C 1.649 178.344 176.600 0.158 0.000 0.984 370 E CA 1.102 57.617 56.400 0.191 0.000 0.800 370 E CB -0.350 29.499 29.700 0.249 0.000 0.758 370 E HN 0.527 nan 8.360 nan 0.000 0.448 371 G N 1.744 110.624 108.800 0.134 0.000 3.401 371 G HA2 0.161 4.117 3.960 -0.006 0.000 0.251 371 G HA3 0.161 4.117 3.960 -0.006 0.000 0.251 371 G C -0.333 174.638 174.900 0.119 0.000 0.960 371 G CA -0.101 45.071 45.100 0.120 0.000 1.900 371 G HN -0.074 nan 8.290 nan 0.000 0.645 372 K N 0.132 120.621 120.400 0.148 0.000 2.569 372 K HA 0.492 4.808 4.320 -0.006 0.000 0.259 372 K C 0.104 176.832 176.600 0.214 0.000 0.932 372 K CA -0.718 55.659 56.287 0.150 0.000 0.833 372 K CB 1.405 33.983 32.500 0.130 0.000 1.340 372 K HN 0.264 nan 8.250 nan 0.000 0.429 373 G N 1.232 110.139 108.800 0.178 0.000 2.502 373 G HA2 0.106 4.063 3.960 -0.006 0.000 0.305 373 G HA3 0.106 4.063 3.960 -0.006 0.000 0.305 373 G C 0.476 175.421 174.900 0.075 0.000 1.190 373 G CA -0.110 45.127 45.100 0.227 0.000 0.933 373 G HN 0.714 nan 8.290 nan 0.000 0.503 374 Q N 0.378 120.193 119.800 0.025 0.000 2.047 374 Q HA -0.222 4.115 4.340 -0.006 0.000 0.211 374 Q C 1.922 177.769 176.000 -0.254 0.000 1.005 374 Q CA 2.315 57.872 55.803 -0.410 0.000 0.866 374 Q CB -0.361 28.277 28.738 -0.167 0.000 0.938 374 Q HN 0.619 nan 8.270 nan 0.000 0.414 375 K N 0.078 120.432 120.400 -0.077 0.000 2.665 375 K HA -0.077 4.240 4.320 -0.006 0.000 0.196 375 K C 0.557 177.130 176.600 -0.044 0.000 1.021 375 K CA 0.780 57.036 56.287 -0.052 0.000 1.066 375 K CB 0.148 32.648 32.500 -0.000 0.000 0.849 375 K HN 0.361 nan 8.250 nan 0.000 0.500 376 E N -0.990 119.174 120.200 -0.060 0.000 2.783 376 E HA -0.016 4.331 4.350 -0.006 0.000 0.205 376 E C 0.112 176.693 176.600 -0.031 0.000 0.955 376 E CA -0.036 56.350 56.400 -0.023 0.000 1.594 376 E CB -0.180 29.531 29.700 0.017 0.000 1.686 376 E HN 0.036 nan 8.360 nan 0.000 0.902 377 S N 0.855 116.516 115.700 -0.065 0.000 2.593 377 S HA 0.100 4.567 4.470 -0.006 0.000 0.300 377 S C 1.185 175.737 174.600 -0.081 0.000 1.267 377 S CA 0.742 58.910 58.200 -0.053 0.000 1.065 377 S CB 0.554 63.683 63.200 -0.118 0.000 0.807 377 S HN 0.369 nan 8.310 nan 0.000 0.499 378 G N 3.622 112.434 108.800 0.019 0.000 2.744 378 G HA2 0.122 4.078 3.960 -0.006 0.000 0.211 378 G HA3 0.122 4.078 3.960 -0.006 0.000 0.211 378 G C 0.301 174.983 174.900 -0.363 0.000 1.146 378 G CA -0.092 44.999 45.100 -0.014 0.000 0.787 378 G HN 0.711 nan 8.290 nan 0.000 0.534 379 V N 1.172 120.816 119.914 -0.450 0.000 2.644 379 V HA 0.046 4.163 4.120 -0.006 0.000 0.303 379 V C 0.830 176.602 176.094 -0.538 0.000 1.058 379 V CA 0.743 62.611 62.300 -0.720 0.000 1.228 379 V CB 0.101 31.756 31.823 -0.280 0.000 0.861 379 V HN 0.367 nan 8.190 nan 0.000 0.484 383 Y N 6.355 126.473 120.300 -0.303 0.000 2.327 383 Y HA 0.655 5.201 4.550 -0.006 0.000 0.336 383 Y C -0.278 175.086 175.900 -0.893 0.000 1.035 383 Y CA 0.258 58.061 58.100 -0.495 0.000 1.165 383 Y CB 1.262 39.599 38.460 -0.205 0.000 1.181 383 Y HN 0.715 nan 8.280 nan 0.000 0.494 384 T N 2.992 116.583 114.554 -1.606 0.000 2.653 384 T HA 0.781 5.128 4.350 -0.006 0.000 0.306 384 T C -0.982 172.975 174.700 -1.238 0.000 1.426 384 T CA -0.154 61.091 62.100 -1.425 0.000 1.008 384 T CB 0.956 69.098 68.868 -1.210 0.000 1.692 384 T HN 1.012 nan 8.240 nan 0.000 0.483 385 G N -0.257 108.149 108.800 -0.656 0.000 2.708 385 G HA2 0.647 4.604 3.960 -0.006 0.000 0.289 385 G HA3 0.647 4.604 3.960 -0.006 0.000 0.289 385 G C -2.310 172.712 174.900 0.204 0.000 1.416 385 G CA -0.467 44.485 45.100 -0.247 0.000 0.829 385 G HN 0.640 nan 8.290 nan 0.000 0.480 386 W N 0.561 121.930 121.300 0.116 0.000 3.624 386 W HA 0.563 5.219 4.660 -0.007 0.000 0.312 386 W C -1.530 175.067 176.519 0.130 0.000 1.203 386 W CA -0.611 56.813 57.345 0.132 0.000 1.225 386 W CB 2.014 31.611 29.460 0.229 0.000 1.321 386 W HN 0.487 nan 8.180 nan 0.000 0.506 387 S N 3.186 118.660 115.700 -0.376 0.000 2.474 387 S HA 0.526 4.992 4.470 -0.006 0.000 0.321 387 S C 0.154 174.662 174.600 -0.153 0.000 1.080 387 S CA -0.458 57.644 58.200 -0.163 0.000 1.106 387 S CB 1.424 64.547 63.200 -0.129 0.000 0.984 387 S HN 0.531 nan 8.310 nan 0.000 0.464 388 A N 2.816 125.735 122.820 0.166 0.000 2.906 388 A HA 0.281 4.598 4.320 -0.006 0.000 0.289 388 A C 1.335 179.061 177.584 0.237 0.000 1.675 388 A CA -0.539 51.731 52.037 0.388 0.000 1.372 388 A CB -0.696 18.537 19.000 0.389 0.000 1.091 388 A HN 0.870 nan 8.150 nan 0.000 0.579 389 S N 0.877 116.685 115.700 0.180 0.000 2.584 389 S HA -0.121 4.346 4.470 -0.006 0.000 0.240 389 S C 1.301 175.926 174.600 0.041 0.000 0.975 389 S CA 1.234 59.466 58.200 0.054 0.000 0.949 389 S CB -0.742 62.485 63.200 0.044 0.000 0.761 389 S HN 0.883 nan 8.310 nan 0.000 0.536 390 T N -3.435 111.193 114.554 0.125 0.000 3.044 390 T HA 0.504 4.850 4.350 -0.006 0.000 0.250 390 T C 1.684 176.413 174.700 0.049 0.000 1.081 390 T CA 0.448 62.611 62.100 0.107 0.000 1.040 390 T CB -0.223 68.717 68.868 0.120 0.000 0.962 390 T HN 1.017 nan 8.240 nan 0.000 0.506 391 G N 1.876 110.711 108.800 0.058 0.000 2.179 391 G HA2 -0.235 3.721 3.960 -0.006 0.000 0.260 391 G HA3 -0.235 3.721 3.960 -0.006 0.000 0.260 391 G C -0.116 174.790 174.900 0.011 0.000 0.977 391 G CA 0.387 45.495 45.100 0.013 0.000 0.641 391 G HN 0.969 nan 8.290 nan 0.000 0.533 392 E N -0.070 120.168 120.200 0.064 0.000 2.336 392 E HA 0.784 5.131 4.350 -0.006 0.000 0.267 392 E C 1.207 177.836 176.600 0.049 0.000 0.906 392 E CA 0.137 56.566 56.400 0.047 0.000 0.781 392 E CB 1.183 30.935 29.700 0.086 0.000 1.261 392 E HN 0.762 nan 8.360 nan 0.000 0.436 393 A N 2.882 125.646 122.820 -0.093 0.000 1.927 393 A HA -0.314 4.002 4.320 -0.006 0.000 0.220 393 A C 1.721 179.215 177.584 -0.149 0.000 1.185 393 A CA 2.614 54.483 52.037 -0.280 0.000 0.639 393 A CB -1.060 17.405 19.000 -0.891 0.000 0.820 393 A HN 0.857 nan 8.150 nan 0.000 0.451 394 D N -1.645 118.699 120.400 -0.093 0.000 2.126 394 D HA -0.230 4.406 4.640 -0.006 0.000 0.190 394 D C 1.736 178.238 176.300 0.337 0.000 1.001 394 D CA 1.656 55.796 54.000 0.233 0.000 0.841 394 D CB -0.308 40.665 40.800 0.289 0.000 0.949 394 D HN 0.677 nan 8.370 nan 0.000 0.446 395 W N 0.323 121.736 121.300 0.189 0.000 2.699 395 W HA 0.084 4.739 4.660 -0.008 0.000 0.249 395 W C 1.444 178.192 176.519 0.382 0.000 1.280 395 W CA 0.767 58.287 57.345 0.293 0.000 1.345 395 W CB 0.175 29.814 29.460 0.298 0.000 1.128 395 W HN 0.107 nan 8.180 nan 0.000 0.642 396 A N -0.694 122.287 122.820 0.269 0.000 2.195 396 A HA 0.052 4.368 4.320 -0.006 0.000 0.210 396 A C 1.480 179.094 177.584 0.050 0.000 1.165 396 A CA 0.606 52.776 52.037 0.222 0.000 0.806 396 A CB -0.146 18.997 19.000 0.238 0.000 0.847 396 A HN 0.225 nan 8.150 nan 0.000 0.482 397 L N -2.121 119.136 121.223 0.057 0.000 2.586 397 L HA 0.236 4.573 4.340 -0.006 0.000 0.204 397 L C 2.444 179.349 176.870 0.059 0.000 1.053 397 L CA 1.566 56.488 54.840 0.137 0.000 0.856 397 L CB -0.862 41.342 42.059 0.243 0.000 1.192 397 L HN 0.210 nan 8.230 nan 0.000 0.484 398 S N 1.245 116.977 115.700 0.055 0.000 2.351 398 S HA -0.086 4.380 4.470 -0.006 0.000 0.220 398 S C -0.837 173.670 174.600 -0.155 0.000 1.035 398 S CA 1.930 60.151 58.200 0.035 0.000 1.031 398 S CB -1.135 62.152 63.200 0.145 0.000 0.928 398 S HN 0.339 nan 8.310 nan 0.000 0.433 399 P HA -0.048 nan 4.420 nan 0.000 0.223 399 P C 0.672 177.630 177.300 -0.570 0.000 1.144 399 P CA 1.000 63.759 63.100 -0.569 0.000 0.783 399 P CB 0.028 31.067 31.700 -1.101 0.000 0.771 400 L N -3.321 117.507 121.223 -0.659 0.000 2.575 400 L HA 0.274 4.611 4.340 -0.006 0.000 0.228 400 L C 1.868 178.203 176.870 -0.890 0.000 1.075 400 L CA 1.035 55.376 54.840 -0.832 0.000 0.867 400 L CB -0.915 40.457 42.059 -1.144 0.000 1.097 400 L HN -0.115 nan 8.230 nan 0.000 0.485 401 F N -0.913 118.979 119.950 -0.098 0.000 2.880 401 F HA 0.449 4.972 4.527 -0.006 0.000 0.346 401 F C 1.224 177.119 175.800 0.159 0.000 1.054 401 F CA -0.439 57.588 58.000 0.044 0.000 1.151 401 F CB 0.054 39.014 39.000 -0.067 0.000 1.066 401 F HN -0.168 nan 8.300 nan 0.000 0.566 402 A N 1.136 124.079 122.820 0.205 0.000 2.491 402 A HA 0.260 4.577 4.320 -0.006 0.000 0.261 402 A C 1.585 179.217 177.584 0.081 0.000 1.101 402 A CA 0.460 52.576 52.037 0.132 0.000 0.772 402 A CB 0.010 19.059 19.000 0.082 0.000 1.043 402 A HN 0.426 nan 8.150 nan 0.000 0.501 403 S N 2.041 117.741 115.700 -0.001 0.000 2.440 403 S HA -0.271 4.195 4.470 -0.006 0.000 0.240 403 S C 1.582 175.876 174.600 -0.511 0.000 1.014 403 S CA 1.450 59.494 58.200 -0.260 0.000 0.980 403 S CB -0.326 62.688 63.200 -0.310 0.000 0.775 403 S HN 0.903 nan 8.310 nan 0.000 0.499 404 Q N 1.084 120.744 119.800 -0.233 0.000 2.378 404 Q HA 0.069 4.405 4.340 -0.006 0.000 0.205 404 Q C 0.433 176.384 176.000 -0.082 0.000 0.954 404 Q CA 0.732 56.426 55.803 -0.182 0.000 0.901 404 Q CB -0.528 28.163 28.738 -0.079 0.000 0.981 404 Q HN 0.520 nan 8.270 nan 0.000 0.483 405 N N 0.247 118.939 118.700 -0.014 0.000 2.313 405 N HA 0.035 4.771 4.740 -0.006 0.000 0.207 405 N C -0.667 174.938 175.510 0.158 0.000 1.141 405 N CA -0.037 53.053 53.050 0.066 0.000 0.830 405 N CB -0.009 38.495 38.487 0.029 0.000 1.008 405 N HN 0.204 nan 8.380 nan 0.000 0.481 406 W N 2.091 123.347 121.300 -0.074 0.000 2.187 406 W HA 0.160 4.816 4.660 -0.006 0.000 0.348 406 W C -1.876 174.593 176.519 -0.083 0.000 1.282 406 W CA -1.832 55.405 57.345 -0.180 0.000 1.271 406 W CB -0.939 28.538 29.460 0.029 0.000 1.170 406 W HN -0.026 nan 8.180 nan 0.000 0.583 407 P HA 0.000 nan 4.420 nan 0.000 0.269 407 P C -1.620 175.828 177.300 0.247 0.000 1.215 407 P CA -0.412 62.774 63.100 0.143 0.000 0.780 407 P CB 0.350 32.106 31.700 0.093 0.000 0.898 408 P HA 0.015 nan 4.420 nan 0.000 0.256 408 P C 0.518 177.910 177.300 0.154 0.000 1.384 408 P CA 0.573 63.770 63.100 0.163 0.000 0.879 408 P CB -0.058 31.727 31.700 0.141 0.000 1.403 409 T N -0.291 114.356 114.554 0.155 0.000 2.706 409 T HA 0.031 4.377 4.350 -0.006 0.000 0.255 409 T C 0.936 175.728 174.700 0.153 0.000 1.048 409 T CA 1.052 63.234 62.100 0.137 0.000 1.153 409 T CB -0.213 68.725 68.868 0.116 0.000 0.865 409 T HN 0.057 nan 8.240 nan 0.000 0.414 410 L N -2.197 119.116 121.223 0.149 0.000 2.542 410 L HA 0.547 4.883 4.340 -0.006 0.000 0.239 410 L C -1.210 175.778 176.870 0.196 0.000 1.256 410 L CA -0.811 54.129 54.840 0.166 0.000 1.282 410 L CB 0.688 42.810 42.059 0.104 0.000 1.667 410 L HN 0.089 nan 8.230 nan 0.000 0.484 411 F N 1.589 121.476 119.950 -0.105 0.000 2.916 411 F HA 0.373 4.896 4.527 -0.007 0.000 0.294 411 F C 0.787 176.446 175.800 -0.234 0.000 1.189 411 F CA -0.433 57.479 58.000 -0.148 0.000 1.369 411 F CB -0.418 38.485 39.000 -0.162 0.000 0.961 411 F HN 0.331 nan 8.300 nan 0.000 0.508 412 N N 0.953 119.495 118.700 -0.263 0.000 3.245 412 N HA -0.048 4.689 4.740 -0.006 0.000 0.296 412 N C 1.384 176.544 175.510 -0.585 0.000 1.254 412 N CA 0.618 53.478 53.050 -0.315 0.000 1.190 412 N CB 0.161 38.626 38.487 -0.036 0.000 1.460 412 N HN 0.357 nan 8.380 nan 0.000 0.538 413 T N -1.736 112.457 114.554 -0.600 0.000 2.946 413 T HA -0.097 4.249 4.350 -0.006 0.000 0.271 413 T C 1.500 175.981 174.700 -0.366 0.000 1.104 413 T CA 1.041 62.789 62.100 -0.587 0.000 1.114 413 T CB -0.063 68.575 68.868 -0.384 0.000 0.867 413 T HN 0.275 nan 8.240 nan 0.000 0.513 414 A N 0.216 122.928 122.820 -0.179 0.000 2.238 414 A HA 0.490 4.806 4.320 -0.006 0.000 0.208 414 A C 0.915 178.501 177.584 0.003 0.000 1.177 414 A CA -0.394 51.662 52.037 0.031 0.000 0.804 414 A CB -1.097 18.046 19.000 0.238 0.000 0.823 414 A HN 0.517 nan 8.150 nan 0.000 0.482 415 F N -2.599 117.118 119.950 -0.389 0.000 3.079 415 F HA -0.270 4.253 4.527 -0.006 0.000 0.274 415 F C 0.447 176.017 175.800 -0.385 0.000 0.940 415 F CA 0.697 58.064 58.000 -1.056 0.000 0.932 415 F CB -2.507 35.737 39.000 -1.259 0.000 0.891 415 F HN 0.524 nan 8.300 nan 0.000 0.722 416 Y N 0.503 120.863 120.300 0.100 0.000 2.314 416 Y HA 0.566 5.112 4.550 -0.007 0.000 0.334 416 Y C 0.428 176.635 175.900 0.511 0.000 1.266 416 Y CA -0.040 58.223 58.100 0.272 0.000 1.391 416 Y CB 1.329 39.923 38.460 0.223 0.000 1.306 416 Y HN 0.057 nan 8.280 nan 0.000 0.558 417 S N 3.078 118.500 115.700 -0.464 0.000 2.542 417 S HA 0.426 4.893 4.470 -0.006 0.000 0.276 417 S C -2.036 172.183 174.600 -0.634 0.000 1.148 417 S CA -0.825 57.199 58.200 -0.293 0.000 0.886 417 S CB 0.874 64.100 63.200 0.044 0.000 1.109 417 S HN 0.852 nan 8.310 nan 0.000 0.458 418 N N 2.088 120.574 118.700 -0.357 0.000 2.839 418 N HA 0.233 4.969 4.740 -0.006 0.000 0.258 418 N C 0.250 175.670 175.510 -0.150 0.000 1.150 418 N CA -0.439 52.457 53.050 -0.256 0.000 0.957 418 N CB 1.047 39.404 38.487 -0.216 0.000 1.560 418 N HN 0.477 nan 8.380 nan 0.000 0.588 419 K N 1.658 121.970 120.400 -0.146 0.000 2.071 419 K HA -0.280 4.037 4.320 -0.006 0.000 0.217 419 K C 1.220 177.697 176.600 -0.206 0.000 1.054 419 K CA 2.267 58.465 56.287 -0.149 0.000 0.937 419 K CB -0.007 32.414 32.500 -0.133 0.000 0.719 419 K HN 0.706 nan 8.250 nan 0.000 0.454 420 Q N -0.673 118.972 119.800 -0.258 0.000 2.050 420 Q HA -0.112 4.225 4.340 -0.006 0.000 0.202 420 Q C 2.169 177.872 176.000 -0.496 0.000 0.980 420 Q CA 1.685 57.184 55.803 -0.507 0.000 0.840 420 Q CB -0.144 28.320 28.738 -0.457 0.000 0.898 420 Q HN 0.152 nan 8.270 nan 0.000 0.424 421 V N 1.573 121.400 119.914 -0.146 0.000 2.255 421 V HA -0.282 3.835 4.120 -0.006 0.000 0.247 421 V C 1.458 177.580 176.094 0.046 0.000 1.051 421 V CA 2.264 64.598 62.300 0.056 0.000 1.018 421 V CB -0.598 31.313 31.823 0.146 0.000 0.641 421 V HN 0.320 nan 8.190 nan 0.000 0.445 422 D N -0.266 120.132 120.400 -0.004 0.000 2.133 422 D HA -0.217 4.419 4.640 -0.006 0.000 0.195 422 D C 1.908 178.200 176.300 -0.014 0.000 0.997 422 D CA 1.753 55.755 54.000 0.004 0.000 0.840 422 D CB -0.242 40.535 40.800 -0.038 0.000 0.947 422 D HN 0.605 nan 8.370 nan 0.000 0.452 423 D N -1.337 119.006 120.400 -0.094 0.000 2.194 423 D HA -0.118 4.518 4.640 -0.006 0.000 0.204 423 D C 1.558 177.864 176.300 0.011 0.000 0.964 423 D CA 0.612 54.557 54.000 -0.091 0.000 0.846 423 D CB -0.044 40.641 40.800 -0.192 0.000 0.962 423 D HN 0.039 nan 8.370 nan 0.000 0.490 424 F N 0.608 120.527 119.950 -0.051 0.000 2.186 424 F HA 0.044 4.570 4.527 -0.002 0.000 0.299 424 F C 2.136 177.841 175.800 -0.159 0.000 1.090 424 F CA 0.596 58.537 58.000 -0.099 0.000 1.307 424 F CB -0.696 38.256 39.000 -0.080 0.000 1.019 424 F HN 0.067 nan 8.300 nan 0.000 0.489 425 L N -0.826 120.465 121.223 0.113 0.000 2.056 425 L HA -0.169 4.167 4.340 -0.006 0.000 0.207 425 L C 2.673 179.558 176.870 0.025 0.000 1.078 425 L CA 1.205 56.075 54.840 0.051 0.000 0.749 425 L CB -1.059 41.092 42.059 0.154 0.000 0.901 425 L HN 0.090 nan 8.230 nan 0.000 0.433 426 A N -0.479 122.370 122.820 0.049 0.000 1.902 426 A HA -0.234 4.082 4.320 -0.006 0.000 0.217 426 A C 2.207 179.804 177.584 0.022 0.000 1.181 426 A CA 1.404 53.471 52.037 0.051 0.000 0.623 426 A CB -0.442 18.582 19.000 0.039 0.000 0.818 426 A HN 0.454 nan 8.150 nan 0.000 0.443 427 Q N -0.738 119.067 119.800 0.007 0.000 2.124 427 Q HA -0.115 4.221 4.340 -0.006 0.000 0.202 427 Q C 2.426 178.373 176.000 -0.089 0.000 0.977 427 Q CA 1.234 57.029 55.803 -0.013 0.000 0.850 427 Q CB -0.377 28.380 28.738 0.031 0.000 0.901 427 Q HN 0.696 nan 8.270 nan 0.000 0.429 428 A N 0.650 123.349 122.820 -0.201 0.000 1.908 428 A HA -0.174 4.142 4.320 -0.006 0.000 0.218 428 A C 1.893 179.377 177.584 -0.168 0.000 1.181 428 A CA 1.161 52.980 52.037 -0.364 0.000 0.627 428 A CB -0.418 18.021 19.000 -0.936 0.000 0.818 428 A HN 0.254 nan 8.150 nan 0.000 0.445 429 L N -0.579 120.606 121.223 -0.062 0.000 2.465 429 L HA -0.002 4.334 4.340 -0.006 0.000 0.224 429 L C 1.638 178.535 176.870 0.046 0.000 1.145 429 L CA 1.487 56.331 54.840 0.007 0.000 0.834 429 L CB -0.267 41.867 42.059 0.125 0.000 0.944 429 L HN 0.311 nan 8.230 nan 0.000 0.451 430 K N -1.620 118.792 120.400 0.021 0.000 2.437 430 K HA 0.176 4.493 4.320 -0.006 0.000 0.205 430 K C 0.326 176.932 176.600 0.010 0.000 1.026 430 K CA 0.027 56.334 56.287 0.033 0.000 1.153 430 K CB 0.452 32.970 32.500 0.029 0.000 0.863 430 K HN 0.109 nan 8.250 nan 0.000 0.502 431 T N -0.952 113.596 114.554 -0.009 0.000 2.900 431 T HA 0.297 4.643 4.350 -0.006 0.000 0.303 431 T C -0.687 174.013 174.700 -0.000 0.000 1.142 431 T CA -0.652 61.439 62.100 -0.016 0.000 1.007 431 T CB 1.299 70.139 68.868 -0.046 0.000 1.156 431 T HN 0.024 nan 8.240 nan 0.000 0.490 432 N N 1.613 120.321 118.700 0.013 0.000 2.177 432 N HA 0.198 4.934 4.740 -0.006 0.000 0.218 432 N C -0.997 174.537 175.510 0.040 0.000 1.182 432 N CA -0.338 52.740 53.050 0.046 0.000 0.882 432 N CB 0.561 39.082 38.487 0.057 0.000 1.052 432 N HN 0.550 nan 8.380 nan 0.000 0.519 433 D N 0.855 121.262 120.400 0.010 0.000 2.336 433 D HA 0.134 4.770 4.640 -0.006 0.000 0.249 433 D C -1.668 174.647 176.300 0.025 0.000 1.213 433 D CA -2.274 51.733 54.000 0.012 0.000 0.870 433 D CB 1.308 42.103 40.800 -0.008 0.000 1.076 433 D HN -0.027 nan 8.370 nan 0.000 0.483 434 P HA -0.231 nan 4.420 nan 0.000 0.216 434 P C 1.004 178.370 177.300 0.110 0.000 1.157 434 P CA 2.188 65.383 63.100 0.158 0.000 0.880 434 P CB 0.142 31.932 31.700 0.150 0.000 0.791 435 A N -0.057 122.795 122.820 0.054 0.000 1.859 435 A HA -0.274 4.042 4.320 -0.006 0.000 0.217 435 A C 2.264 179.837 177.584 -0.018 0.000 1.198 435 A CA 1.956 54.006 52.037 0.023 0.000 0.629 435 A CB -1.458 17.545 19.000 0.004 0.000 0.830 435 A HN 0.091 nan 8.150 nan 0.000 0.446 436 E N 0.088 120.262 120.200 -0.044 0.000 2.097 436 E HA -0.200 4.147 4.350 -0.006 0.000 0.196 436 E C 2.032 178.537 176.600 -0.158 0.000 1.000 436 E CA 1.559 57.904 56.400 -0.092 0.000 0.804 436 E CB -0.321 29.330 29.700 -0.082 0.000 0.740 436 E HN 0.700 nan 8.360 nan 0.000 0.454 437 K N -0.082 120.214 120.400 -0.173 0.000 2.025 437 K HA -0.092 4.225 4.320 -0.006 0.000 0.207 437 K C 2.349 178.775 176.600 -0.291 0.000 1.049 437 K CA 1.785 57.863 56.287 -0.347 0.000 0.933 437 K CB -0.391 31.807 32.500 -0.504 0.000 0.714 437 K HN 0.242 nan 8.250 nan 0.000 0.438 438 T N -0.061 114.453 114.554 -0.067 0.000 2.788 438 T HA -0.197 4.149 4.350 -0.006 0.000 0.268 438 T C 2.032 176.746 174.700 0.023 0.000 1.044 438 T CA 1.224 63.416 62.100 0.153 0.000 1.139 438 T CB -0.200 68.799 68.868 0.219 0.000 0.867 438 T HN 0.257 nan 8.240 nan 0.000 0.454 439 R N 1.003 121.463 120.500 -0.066 0.000 2.062 439 R HA 0.071 4.407 4.340 -0.006 0.000 0.231 439 R C 2.559 178.712 176.300 -0.245 0.000 1.136 439 R CA 1.246 57.268 56.100 -0.130 0.000 0.948 439 R CB -0.630 29.590 30.300 -0.134 0.000 0.845 439 R HN 0.427 nan 8.270 nan 0.000 0.430 440 L N -0.075 120.950 121.223 -0.329 0.000 2.042 440 L HA -0.202 4.135 4.340 -0.006 0.000 0.210 440 L C 2.463 179.076 176.870 -0.429 0.000 1.076 440 L CA 1.418 55.954 54.840 -0.507 0.000 0.749 440 L CB -0.582 41.179 42.059 -0.497 0.000 0.893 440 L HN 0.243 nan 8.230 nan 0.000 0.432 441 Y N 0.036 120.220 120.300 -0.193 0.000 2.200 441 Y HA -0.236 4.309 4.550 -0.008 0.000 0.290 441 Y C 2.660 178.525 175.900 -0.059 0.000 1.137 441 Y CA 1.277 59.322 58.100 -0.092 0.000 1.163 441 Y CB -0.425 37.996 38.460 -0.066 0.000 0.988 441 Y HN 0.096 nan 8.280 nan 0.000 0.518 442 K N 0.311 120.754 120.400 0.071 0.000 2.103 442 K HA -0.218 4.098 4.320 -0.006 0.000 0.207 442 K C 2.212 178.820 176.600 0.014 0.000 1.048 442 K CA 1.295 57.603 56.287 0.036 0.000 0.930 442 K CB -0.268 32.226 32.500 -0.010 0.000 0.716 442 K HN 0.263 nan 8.250 nan 0.000 0.444 443 A N 1.066 123.817 122.820 -0.115 0.000 1.873 443 A HA -0.073 4.243 4.320 -0.006 0.000 0.215 443 A C 2.362 179.992 177.584 0.076 0.000 1.186 443 A CA 1.807 53.765 52.037 -0.131 0.000 0.616 443 A CB -0.880 17.756 19.000 -0.607 0.000 0.823 443 A HN 0.487 nan 8.150 nan 0.000 0.442 444 A N -0.770 122.120 122.820 0.117 0.000 1.883 444 A HA -0.257 4.060 4.320 -0.006 0.000 0.217 444 A C 2.137 179.781 177.584 0.100 0.000 1.186 444 A CA 1.838 54.012 52.037 0.229 0.000 0.624 444 A CB -0.697 18.443 19.000 0.233 0.000 0.822 444 A HN 0.641 nan 8.150 nan 0.000 0.444 445 Q N -0.604 119.255 119.800 0.098 0.000 2.135 445 Q HA -0.189 4.147 4.340 -0.006 0.000 0.204 445 Q C 1.443 177.494 176.000 0.086 0.000 0.981 445 Q CA 1.472 57.321 55.803 0.078 0.000 0.856 445 Q CB -0.176 28.669 28.738 0.180 0.000 0.902 445 Q HN 0.626 nan 8.270 nan 0.000 0.425 446 D N 0.335 120.817 120.400 0.136 0.000 2.144 446 D HA -0.122 4.514 4.640 -0.006 0.000 0.200 446 D C 1.814 178.127 176.300 0.020 0.000 0.978 446 D CA 0.944 54.995 54.000 0.084 0.000 0.833 446 D CB -0.059 40.823 40.800 0.137 0.000 0.961 446 D HN 0.297 nan 8.370 nan 0.000 0.470 447 I N 0.785 121.386 120.570 0.051 0.000 2.252 447 I HA -0.208 3.958 4.170 -0.006 0.000 0.245 447 I C 2.420 178.518 176.117 -0.032 0.000 1.102 447 I CA 0.690 62.018 61.300 0.047 0.000 1.385 447 I CB -0.168 37.896 38.000 0.106 0.000 1.064 447 I HN -0.061 nan 8.210 nan 0.000 0.414 448 I N -0.062 120.417 120.570 -0.153 0.000 2.142 448 I HA -0.343 3.823 4.170 -0.006 0.000 0.240 448 I C 2.545 178.452 176.117 -0.350 0.000 1.078 448 I CA 1.626 62.652 61.300 -0.457 0.000 1.343 448 I CB -0.574 36.938 38.000 -0.813 0.000 1.046 448 I HN 0.504 nan 8.210 nan 0.000 0.405 449 W N 2.731 123.770 121.300 -0.436 0.000 2.342 449 W HA -0.253 4.405 4.660 -0.004 0.000 0.297 449 W C 2.511 178.884 176.519 -0.244 0.000 1.213 449 W CA 2.096 59.199 57.345 -0.404 0.000 1.251 449 W CB -0.068 28.900 29.460 -0.820 0.000 1.136 449 W HN 0.390 nan 8.180 nan 0.000 0.526 450 Q N -0.406 119.335 119.800 -0.098 0.000 2.245 450 Q HA -0.124 4.212 4.340 -0.006 0.000 0.201 450 Q C 1.502 177.465 176.000 -0.061 0.000 0.955 450 Q CA 1.262 57.013 55.803 -0.087 0.000 0.870 450 Q CB -0.769 27.961 28.738 -0.014 0.000 0.945 450 Q HN 0.338 nan 8.270 nan 0.000 0.461 451 E N 1.158 121.322 120.200 -0.060 0.000 2.481 451 E HA 0.049 4.395 4.350 -0.006 0.000 0.195 451 E C -0.243 176.332 176.600 -0.041 0.000 1.047 451 E CA 0.225 56.628 56.400 0.006 0.000 0.867 451 E CB 0.224 30.003 29.700 0.131 0.000 0.858 451 E HN 0.203 nan 8.360 nan 0.000 0.513 452 S N 1.768 117.376 115.700 -0.153 0.000 3.447 452 S HA -0.116 4.350 4.470 -0.006 0.000 0.371 452 S C -1.619 172.918 174.600 -0.104 0.000 0.951 452 S CA 0.425 58.527 58.200 -0.164 0.000 1.269 452 S CB -0.575 62.573 63.200 -0.088 0.000 0.919 452 S HN 0.375 nan 8.310 nan 0.000 0.516 453 P HA 0.038 nan 4.420 nan 0.000 0.237 453 P C 0.174 177.586 177.300 0.186 0.000 1.178 453 P CA 0.766 63.841 63.100 -0.041 0.000 0.766 453 P CB 0.198 31.742 31.700 -0.259 0.000 0.876 454 W N -0.189 121.047 121.300 -0.107 0.000 3.164 454 W HA 0.518 5.175 4.660 -0.005 0.000 0.325 454 W C 0.125 176.552 176.519 -0.153 0.000 1.228 454 W CA -1.067 56.238 57.345 -0.068 0.000 1.024 454 W CB 0.399 29.850 29.460 -0.016 0.000 1.534 454 W HN -0.410 nan 8.180 nan 0.000 0.614 455 I N 3.651 124.313 120.570 0.152 0.000 2.782 455 I HA 0.123 4.289 4.170 -0.006 0.000 0.279 455 I C -2.224 173.939 176.117 0.078 0.000 1.247 455 I CA -1.687 59.580 61.300 -0.055 0.000 1.062 455 I CB 1.115 39.067 38.000 -0.079 0.000 1.421 455 I HN -0.234 nan 8.210 nan 0.000 0.558 456 P HA 0.072 nan 4.420 nan 0.000 0.262 456 P C 0.442 177.872 177.300 0.215 0.000 1.199 456 P CA 0.257 63.553 63.100 0.326 0.000 0.763 456 P CB 1.489 33.502 31.700 0.520 0.000 0.790 457 L N 4.113 125.454 121.223 0.196 0.000 2.117 457 L HA 0.115 4.451 4.340 -0.006 0.000 0.200 457 L C 1.415 178.351 176.870 0.110 0.000 1.110 457 L CA 1.155 56.076 54.840 0.135 0.000 0.774 457 L CB -0.419 41.718 42.059 0.129 0.000 0.934 457 L HN 0.292 nan 8.230 nan 0.000 0.456 458 V N -4.156 115.804 119.914 0.076 0.000 3.203 458 V HA 0.597 4.713 4.120 -0.006 0.000 0.305 458 V C -1.183 174.907 176.094 -0.007 0.000 1.361 458 V CA -0.883 61.406 62.300 -0.019 0.000 1.066 458 V CB 2.297 33.974 31.823 -0.243 0.000 1.085 458 V HN -0.207 nan 8.190 nan 0.000 0.456 459 V N 1.107 120.989 119.914 -0.053 0.000 2.531 459 V HA 0.506 4.622 4.120 -0.006 0.000 0.301 459 V C 0.139 176.179 176.094 -0.089 0.000 1.034 459 V CA -0.354 61.939 62.300 -0.011 0.000 0.865 459 V CB 1.285 33.134 31.823 0.044 0.000 0.995 459 V HN 1.030 nan 8.190 nan 0.000 0.424 460 E N 2.671 122.827 120.200 -0.073 0.000 2.416 460 E HA 0.309 4.655 4.350 -0.006 0.000 0.254 460 E C -0.452 176.177 176.600 0.049 0.000 1.241 460 E CA -0.169 56.203 56.400 -0.047 0.000 0.969 460 E CB 0.767 30.509 29.700 0.071 0.000 0.999 460 E HN 0.471 nan 8.360 nan 0.000 0.481 461 K N 0.796 121.274 120.400 0.130 0.000 2.378 461 K HA 0.387 4.703 4.320 -0.006 0.000 0.252 461 K C -1.023 175.712 176.600 0.224 0.000 0.931 461 K CA -0.545 55.844 56.287 0.171 0.000 0.794 461 K CB 1.296 33.927 32.500 0.220 0.000 1.181 461 K HN 0.300 nan 8.250 nan 0.000 0.425 462 L N 2.909 124.258 121.223 0.210 0.000 2.305 462 L HA 0.367 4.703 4.340 -0.006 0.000 0.281 462 L C -0.418 176.609 176.870 0.263 0.000 1.085 462 L CA -0.973 54.043 54.840 0.293 0.000 0.813 462 L CB 1.250 43.445 42.059 0.226 0.000 1.157 462 L HN 0.233 nan 8.230 nan 0.000 0.436 463 V N 2.796 122.870 119.914 0.267 0.000 2.334 463 V HA 0.439 4.556 4.120 -0.006 0.000 0.281 463 V C 0.115 176.339 176.094 0.217 0.000 1.016 463 V CA -0.224 62.140 62.300 0.107 0.000 0.832 463 V CB 1.383 33.113 31.823 -0.155 0.000 0.999 463 V HN 0.958 nan 8.190 nan 0.000 0.439 464 S N 3.867 119.671 115.700 0.173 0.000 2.704 464 S HA 1.018 5.484 4.470 -0.006 0.000 0.296 464 S C -0.610 173.941 174.600 -0.082 0.000 1.138 464 S CA -0.353 57.916 58.200 0.115 0.000 0.875 464 S CB 2.600 65.896 63.200 0.159 0.000 1.151 464 S HN 1.541 nan 8.310 nan 0.000 0.500 465 A N 0.757 123.396 122.820 -0.301 0.000 2.594 465 A HA 0.797 5.113 4.320 -0.006 0.000 0.296 465 A C -1.193 176.111 177.584 -0.467 0.000 1.061 465 A CA -0.793 51.046 52.037 -0.330 0.000 0.689 465 A CB 0.706 19.567 19.000 -0.231 0.000 1.280 465 A HN 1.692 nan 8.150 nan 0.000 0.406 466 H N -0.498 118.416 119.070 -0.260 0.000 2.985 466 H HA 0.822 5.374 4.556 -0.006 0.000 0.360 466 H C -0.088 175.184 175.328 -0.093 0.000 1.221 466 H CA -0.209 55.734 56.048 -0.176 0.000 1.121 466 H CB 1.107 30.905 29.762 0.061 0.000 1.854 466 H HN 0.831 nan 8.280 nan 0.000 0.551 467 S N 0.272 116.003 115.700 0.052 0.000 2.572 467 S HA 0.047 4.513 4.470 -0.006 0.000 0.279 467 S C 1.027 175.701 174.600 0.123 0.000 1.341 467 S CA -0.461 57.746 58.200 0.012 0.000 1.043 467 S CB 0.460 63.650 63.200 -0.016 0.000 0.887 467 S HN 0.686 nan 8.310 nan 0.000 0.516 468 K N 2.913 123.335 120.400 0.035 0.000 2.211 468 K HA -0.012 4.304 4.320 -0.006 0.000 0.204 468 K C 1.710 178.347 176.600 0.061 0.000 1.047 468 K CA 1.531 57.855 56.287 0.063 0.000 0.935 468 K CB -0.213 32.294 32.500 0.013 0.000 0.728 468 K HN 0.591 nan 8.250 nan 0.000 0.452 469 N N 0.138 118.852 118.700 0.025 0.000 2.244 469 N HA -0.130 4.606 4.740 -0.006 0.000 0.183 469 N C 0.271 175.768 175.510 -0.022 0.000 1.016 469 N CA 0.462 53.509 53.050 -0.006 0.000 0.866 469 N CB 0.010 38.481 38.487 -0.026 0.000 0.980 469 N HN 0.192 nan 8.380 nan 0.000 0.430 470 L N 2.490 123.707 121.223 -0.010 0.000 2.278 470 L HA 0.139 4.475 4.340 -0.006 0.000 0.287 470 L C -0.078 176.700 176.870 -0.154 0.000 1.072 470 L CA 0.015 54.808 54.840 -0.079 0.000 0.819 470 L CB 0.451 42.452 42.059 -0.096 0.000 1.176 470 L HN 0.125 nan 8.230 nan 0.000 0.435 471 T N -0.264 114.184 114.554 -0.176 0.000 2.924 471 T HA 0.629 4.976 4.350 -0.006 0.000 0.291 471 T C 0.715 175.203 174.700 -0.353 0.000 1.045 471 T CA -0.012 61.920 62.100 -0.279 0.000 1.015 471 T CB 1.892 70.660 68.868 -0.166 0.000 1.103 471 T HN 0.822 nan 8.240 nan 0.000 0.496 472 G N 0.234 108.635 108.800 -0.664 0.000 2.148 472 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.254 472 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.254 472 G C -0.218 174.291 174.900 -0.652 0.000 0.981 472 G CA 0.054 44.719 45.100 -0.725 0.000 0.670 472 G HN 0.866 nan 8.290 nan 0.000 0.528 473 F N 1.304 120.752 119.950 -0.837 0.000 2.375 473 F HA 0.695 5.219 4.527 -0.005 0.000 0.361 473 F C -0.040 175.447 175.800 -0.522 0.000 1.117 473 F CA -1.019 56.646 58.000 -0.559 0.000 1.037 473 F CB 0.598 39.221 39.000 -0.629 0.000 1.192 473 F HN 0.070 nan 8.300 nan 0.000 0.452 474 W N 6.542 127.807 121.300 -0.058 0.000 2.864 474 W HA 0.441 5.099 4.660 -0.004 0.000 0.343 474 W C -0.734 175.908 176.519 0.205 0.000 1.109 474 W CA -1.030 56.397 57.345 0.136 0.000 1.192 474 W CB 1.829 31.320 29.460 0.052 0.000 1.426 474 W HN 0.210 nan 8.180 nan 0.000 0.529 478 D N 1.158 121.503 120.400 -0.092 0.000 2.349 478 D HA 0.002 4.639 4.640 -0.006 0.000 0.224 478 D C 0.710 176.938 176.300 -0.120 0.000 1.029 478 D CA 1.473 55.416 54.000 -0.094 0.000 0.879 478 D CB -0.523 40.203 40.800 -0.123 0.000 0.906 478 D HN 0.382 nan 8.370 nan 0.000 0.528 479 T N -4.994 109.452 114.554 -0.180 0.000 5.377 479 T HA -0.122 4.225 4.350 -0.006 0.000 0.273 479 T C 0.622 175.016 174.700 -0.510 0.000 2.061 479 T CA 0.713 62.631 62.100 -0.302 0.000 3.492 479 T CB -2.206 66.662 68.868 -0.000 0.000 1.062 479 T HN 0.581 nan 8.240 nan 0.000 1.051 480 G N -0.104 108.423 108.800 -0.455 0.000 2.511 480 G HA2 0.690 4.646 3.960 -0.006 0.000 0.316 480 G HA3 0.690 4.646 3.960 -0.006 0.000 0.316 480 G C -0.572 173.956 174.900 -0.620 0.000 1.210 480 G CA -1.250 43.527 45.100 -0.538 0.000 0.969 480 G HN 0.393 nan 8.290 nan 0.000 0.492 481 F N -0.732 119.268 119.950 0.082 0.000 2.492 481 F HA 0.598 5.122 4.527 -0.006 0.000 0.327 481 F C 0.603 176.497 175.800 0.156 0.000 1.079 481 F CA -0.853 57.218 58.000 0.117 0.000 0.967 481 F CB 2.567 41.652 39.000 0.142 0.000 1.169 481 F HN 0.364 nan 8.300 nan 0.000 0.472 482 S N 2.777 118.631 115.700 0.256 0.000 2.640 482 S HA 0.539 5.005 4.470 -0.006 0.000 0.320 482 S C -0.611 174.000 174.600 0.019 0.000 1.097 482 S CA -0.527 57.727 58.200 0.090 0.000 1.092 482 S CB -0.210 63.048 63.200 0.096 0.000 0.988 482 S HN 0.591 nan 8.310 nan 0.000 0.470 483 F N 2.341 122.089 119.950 -0.337 0.000 2.811 483 F HA 0.511 5.035 4.527 -0.006 0.000 0.342 483 F C 1.118 176.798 175.800 -0.200 0.000 1.203 483 F CA -0.708 56.988 58.000 -0.506 0.000 1.173 483 F CB -0.212 38.143 39.000 -1.075 0.000 1.094 483 F HN 0.570 nan 8.300 nan 0.000 0.510 484 E N 1.625 121.642 120.200 -0.304 0.000 2.065 484 E HA -0.244 4.103 4.350 -0.006 0.000 0.201 484 E C 0.501 177.042 176.600 -0.099 0.000 1.016 484 E CA 2.211 58.480 56.400 -0.219 0.000 0.818 484 E CB -0.083 29.534 29.700 -0.139 0.000 0.749 484 E HN 0.448 nan 8.360 nan 0.000 0.453 485 D N 0.141 120.523 120.400 -0.031 0.000 2.491 485 D HA 0.205 4.841 4.640 -0.006 0.000 0.228 485 D C -0.483 175.801 176.300 -0.027 0.000 1.183 485 D CA 0.146 54.136 54.000 -0.015 0.000 0.827 485 D CB 0.455 41.269 40.800 0.025 0.000 0.989 485 D HN 0.196 nan 8.370 nan 0.000 0.494 486 A N 0.763 123.576 122.820 -0.011 0.000 2.520 486 A HA 0.227 4.543 4.320 -0.006 0.000 0.235 486 A C 0.367 177.951 177.584 0.001 0.000 1.065 486 A CA 0.470 52.509 52.037 0.004 0.000 0.764 486 A CB 0.676 19.764 19.000 0.147 0.000 1.002 486 A HN 0.116 nan 8.150 nan 0.000 0.502 487 D N -0.037 120.344 120.400 -0.032 0.000 2.622 487 D HA 0.551 5.187 4.640 -0.006 0.000 0.255 487 D C -1.650 174.618 176.300 -0.054 0.000 1.246 487 D CA -0.319 53.660 54.000 -0.035 0.000 0.795 487 D CB 1.230 42.007 40.800 -0.039 0.000 1.369 487 D HN 0.406 nan 8.370 nan 0.000 0.425 488 L N 1.772 122.966 121.223 -0.048 0.000 2.408 488 L HA 0.446 4.782 4.340 -0.006 0.000 0.268 488 L C -0.165 176.680 176.870 -0.042 0.000 0.986 488 L CA -0.545 54.263 54.840 -0.054 0.000 0.820 488 L CB 2.093 44.114 42.059 -0.063 0.000 1.303 488 L HN 0.466 nan 8.230 nan 0.000 0.411 489 Q N 0.000 119.777 119.800 -0.038 0.000 2.315 489 Q HA 0.000 4.336 4.340 -0.006 0.000 0.214 489 Q CA 0.000 55.786 55.803 -0.029 0.000 1.022 489 Q CB 0.000 28.724 28.738 -0.023 0.000 1.108 489 Q HN 0.000 nan 8.270 nan 0.000 0.481