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 1i86_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVSVSEIRKA QRAEGPATIL AIGTANPANC VEQSTYPDFY FKITNSEHKT DATA SEQUENCE ELKEKFQRMC DKSMIKRRYM YLTEEILKEN PNVCEYMAPS LDARQDMVVV DATA SEQUENCE EVPRLGKEAA VKAIKEWGQP KSKITHLIVC TTSGVDMPGA DYQLTKLLGL DATA SEQUENCE RPYVKRYMMY QQGXFAGGTV LRLAKDLAEN NKGARVLVVC SEVTAVTFRG DATA SEQUENCE PSDTHLDSLV GQALFGDGAA ALIVGSDPVP EIEKPIFEMV WTAQTIAPDS DATA SEQUENCE EGAIDAHLRE AGLTFHLLKD VPGIVSKNIT KALVEAFEPL GISDYNSIFW DATA SEQUENCE IAHPGGPAIL DQVEQKLALK PEKMNATREV LSEYGNMSSA CVLFILDEMR DATA SEQUENCE KKSTQNGLKT TGEGLEWGVL FGFGPGLTIE TVVLRSVAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 0.001 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 V N 1.924 121.838 119.914 0.001 0.000 2.546 2 V HA 0.288 4.408 4.120 0.001 0.000 0.284 2 V C 0.335 176.430 176.094 0.002 0.000 1.050 2 V CA -0.124 62.176 62.300 0.001 0.000 0.981 2 V CB 1.504 33.328 31.823 0.001 0.000 0.990 2 V HN 0.377 nan 8.190 nan 0.000 0.474 3 S N 3.680 119.382 115.700 0.002 0.000 2.411 3 S HA 0.239 4.709 4.470 0.001 0.000 0.294 3 S C 0.817 175.419 174.600 0.004 0.000 1.115 3 S CA -0.653 57.549 58.200 0.003 0.000 1.071 3 S CB 1.146 64.348 63.200 0.003 0.000 0.967 3 S HN 0.477 nan 8.310 nan 0.000 0.488 4 V N 5.357 125.274 119.914 0.004 0.000 2.548 4 V HA -0.099 4.021 4.120 0.001 0.000 0.249 4 V C 2.584 178.681 176.094 0.006 0.000 1.055 4 V CA 1.988 64.291 62.300 0.005 0.000 1.065 4 V CB -0.805 31.020 31.823 0.005 0.000 0.681 4 V HN 0.991 nan 8.190 nan 0.000 0.462 5 S N 0.201 115.904 115.700 0.005 0.000 2.382 5 S HA -0.247 4.223 4.470 0.001 0.000 0.228 5 S C 1.780 176.384 174.600 0.006 0.000 1.027 5 S CA 1.623 59.827 58.200 0.005 0.000 0.991 5 S CB -0.442 62.761 63.200 0.005 0.000 0.823 5 S HN 0.705 nan 8.310 nan 0.000 0.469 6 E N 1.116 121.319 120.200 0.005 0.000 2.072 6 E HA -0.016 4.334 4.350 0.001 0.000 0.191 6 E C 2.042 178.646 176.600 0.007 0.000 0.985 6 E CA 1.326 57.730 56.400 0.006 0.000 0.801 6 E CB -0.374 29.329 29.700 0.005 0.000 0.750 6 E HN 0.571 nan 8.360 nan 0.000 0.452 7 I N 0.662 121.236 120.570 0.007 0.000 2.179 7 I HA -0.272 3.898 4.170 0.001 0.000 0.242 7 I C 2.625 178.748 176.117 0.010 0.000 1.088 7 I CA 0.964 62.268 61.300 0.008 0.000 1.357 7 I CB -0.100 37.905 38.000 0.007 0.000 1.051 7 I HN -0.013 nan 8.210 nan 0.000 0.409 8 R N 1.419 121.925 120.500 0.010 0.000 2.081 8 R HA -0.189 4.151 4.340 0.001 0.000 0.235 8 R C 2.303 178.610 176.300 0.011 0.000 1.131 8 R CA 1.528 57.635 56.100 0.011 0.000 0.960 8 R CB -0.338 29.968 30.300 0.009 0.000 0.856 8 R HN 0.065 nan 8.270 nan 0.000 0.436 9 K N 0.165 120.570 120.400 0.009 0.000 2.057 9 K HA -0.035 4.285 4.320 0.001 0.000 0.207 9 K C 1.663 178.270 176.600 0.011 0.000 1.049 9 K CA 1.723 58.016 56.287 0.009 0.000 0.931 9 K CB -0.322 32.182 32.500 0.008 0.000 0.714 9 K HN 0.257 nan 8.250 nan 0.000 0.440 10 A N 0.759 123.585 122.820 0.011 0.000 2.066 10 A HA -0.110 4.210 4.320 0.001 0.000 0.218 10 A C 2.021 179.615 177.584 0.016 0.000 1.157 10 A CA 1.202 53.247 52.037 0.013 0.000 0.670 10 A CB -0.269 18.737 19.000 0.011 0.000 0.804 10 A HN 0.535 nan 8.150 nan 0.000 0.453 11 Q N -0.089 119.721 119.800 0.018 0.000 2.354 11 Q HA -0.019 4.322 4.340 0.001 0.000 0.203 11 Q C 0.945 176.961 176.000 0.026 0.000 0.933 11 Q CA -0.023 55.794 55.803 0.024 0.000 0.901 11 Q CB 0.103 28.856 28.738 0.024 0.000 1.007 11 Q HN 0.795 nan 8.270 nan 0.000 0.495 12 R N -0.461 120.051 120.500 0.019 0.000 2.532 12 R HA 0.660 5.001 4.340 0.001 0.000 0.272 12 R C -0.598 175.709 176.300 0.013 0.000 1.032 12 R CA -0.124 55.984 56.100 0.014 0.000 1.089 12 R CB 0.889 31.195 30.300 0.008 0.000 1.098 12 R HN -0.039 nan 8.270 nan 0.000 0.526 13 A N 0.708 123.532 122.820 0.007 0.000 2.246 13 A HA 0.166 4.487 4.320 0.001 0.000 0.291 13 A C 0.535 178.123 177.584 0.006 0.000 1.103 13 A CA -0.283 51.759 52.037 0.007 0.000 0.844 13 A CB 0.897 19.896 19.000 -0.001 0.000 1.136 13 A HN 0.964 nan 8.150 nan 0.000 0.500 14 E N -0.607 119.599 120.200 0.009 0.000 2.207 14 E HA 0.254 4.604 4.350 0.001 0.000 0.197 14 E C 1.048 177.655 176.600 0.011 0.000 0.914 14 E CA 0.950 57.356 56.400 0.011 0.000 0.914 14 E CB -0.173 29.535 29.700 0.013 0.000 0.893 14 E HN 0.814 nan 8.360 nan 0.000 0.479 15 G N 0.854 109.661 108.800 0.011 0.000 2.543 15 G HA2 0.427 4.387 3.960 0.001 0.000 0.290 15 G HA3 0.427 4.387 3.960 0.001 0.000 0.290 15 G C -2.364 172.543 174.900 0.011 0.000 1.310 15 G CA -1.174 43.934 45.100 0.014 0.000 1.025 15 G HN 0.125 nan 8.290 nan 0.000 0.502 16 P HA 0.298 nan 4.420 nan 0.000 0.271 16 P C -0.133 177.170 177.300 0.004 0.000 1.216 16 P CA -0.058 63.053 63.100 0.018 0.000 0.776 16 P CB 0.972 32.694 31.700 0.037 0.000 0.881 17 A N 3.478 126.292 122.820 -0.010 0.000 2.546 17 A HA 0.325 4.646 4.320 0.001 0.000 0.243 17 A C 0.371 177.950 177.584 -0.008 0.000 1.063 17 A CA 0.654 52.674 52.037 -0.028 0.000 0.757 17 A CB -0.719 18.248 19.000 -0.054 0.000 0.991 17 A HN 0.537 nan 8.150 nan 0.000 0.503 18 T N 3.112 117.658 114.554 -0.013 0.000 2.863 18 T HA 0.492 4.842 4.350 0.001 0.000 0.285 18 T C -0.042 174.653 174.700 -0.009 0.000 1.009 18 T CA -0.218 61.886 62.100 0.006 0.000 0.989 18 T CB 1.035 69.906 68.868 0.005 0.000 1.004 18 T HN 0.462 nan 8.240 nan 0.000 0.455 19 I N 3.477 124.065 120.570 0.030 0.000 2.396 19 I HA 0.182 4.352 4.170 0.001 0.000 0.289 19 I C 0.769 176.883 176.117 -0.005 0.000 1.056 19 I CA -0.060 61.250 61.300 0.016 0.000 1.365 19 I CB 0.713 38.776 38.000 0.105 0.000 1.407 19 I HN 0.559 nan 8.210 nan 0.000 0.509 20 L N 6.526 127.719 121.223 -0.050 0.000 2.638 20 L HA 0.502 4.843 4.340 0.001 0.000 0.232 20 L C 0.551 177.428 176.870 0.011 0.000 1.099 20 L CA 0.035 54.868 54.840 -0.011 0.000 0.883 20 L CB 0.195 42.251 42.059 -0.006 0.000 1.136 20 L HN 0.717 nan 8.230 nan 0.000 0.492 21 A N 0.607 123.404 122.820 -0.038 0.000 2.594 21 A HA 0.762 5.083 4.320 0.001 0.000 0.296 21 A C -1.464 176.096 177.584 -0.041 0.000 1.061 21 A CA -0.331 51.699 52.037 -0.010 0.000 0.689 21 A CB 1.312 20.333 19.000 0.034 0.000 1.280 21 A HN 0.034 nan 8.150 nan 0.000 0.406 22 I N 1.019 121.566 120.570 -0.038 0.000 2.534 22 I HA 0.644 4.814 4.170 0.001 0.000 0.288 22 I C 0.306 176.364 176.117 -0.099 0.000 1.077 22 I CA -0.520 60.738 61.300 -0.069 0.000 1.051 22 I CB 2.574 40.543 38.000 -0.052 0.000 1.234 22 I HN 0.874 nan 8.210 nan 0.000 0.425 23 G N 2.827 111.545 108.800 -0.137 0.000 2.638 23 G HA2 0.758 4.718 3.960 0.001 0.000 0.302 23 G HA3 0.758 4.718 3.960 0.001 0.000 0.302 23 G C -0.896 173.849 174.900 -0.258 0.000 1.365 23 G CA -0.512 44.493 45.100 -0.158 0.000 0.987 23 G HN 0.574 nan 8.290 nan 0.000 0.495 24 T N -1.833 112.524 114.554 -0.329 0.000 2.916 24 T HA 0.901 5.252 4.350 0.001 0.000 0.292 24 T C -0.327 174.237 174.700 -0.227 0.000 1.064 24 T CA -0.377 61.429 62.100 -0.491 0.000 1.011 24 T CB 2.169 70.310 68.868 -1.211 0.000 1.152 24 T HN 1.912 nan 8.240 nan 0.000 0.510 25 A N 1.360 124.121 122.820 -0.097 0.000 2.606 25 A HA 0.851 5.171 4.320 0.001 0.000 0.293 25 A C -1.481 176.161 177.584 0.095 0.000 1.082 25 A CA -1.108 50.931 52.037 0.002 0.000 0.685 25 A CB 1.372 20.369 19.000 -0.005 0.000 1.284 25 A HN 0.932 nan 8.150 nan 0.000 0.408 26 N N 0.275 118.994 118.700 0.031 0.000 2.396 26 N HA 0.663 5.403 4.740 0.001 0.000 0.275 26 N C -3.176 172.363 175.510 0.049 0.000 1.218 26 N CA -1.185 51.883 53.050 0.029 0.000 0.812 26 N CB 1.888 40.286 38.487 -0.149 0.000 1.592 26 N HN 0.389 nan 8.380 nan 0.000 0.480 27 P HA 0.020 nan 4.420 nan 0.000 0.266 27 P C 0.006 177.419 177.300 0.188 0.000 1.193 27 P CA -0.035 63.166 63.100 0.169 0.000 0.770 27 P CB 0.532 32.364 31.700 0.219 0.000 0.836 28 A N 2.715 125.619 122.820 0.139 0.000 2.015 28 A HA -0.141 4.179 4.320 0.001 0.000 0.219 28 A C 1.193 178.888 177.584 0.185 0.000 1.163 28 A CA 0.965 53.089 52.037 0.144 0.000 0.646 28 A CB -0.993 18.057 19.000 0.082 0.000 0.806 28 A HN 0.638 nan 8.150 nan 0.000 0.448 29 N N 0.123 118.906 118.700 0.138 0.000 2.406 29 N HA 0.124 4.865 4.740 0.001 0.000 0.265 29 N C -0.773 174.755 175.510 0.031 0.000 1.203 29 N CA -0.108 52.978 53.050 0.061 0.000 0.945 29 N CB 0.059 38.545 38.487 -0.001 0.000 1.165 29 N HN 0.257 nan 8.380 nan 0.000 0.485 30 C N 5.278 124.547 119.300 -0.053 0.000 2.265 30 C HA 0.521 4.981 4.460 0.001 0.000 0.332 30 C C -0.331 174.490 174.990 -0.282 0.000 1.248 30 C CA -0.611 58.217 59.018 -0.317 0.000 1.727 30 C CB -1.103 26.478 27.740 -0.265 0.000 2.348 30 C HN 0.485 nan 8.230 nan 0.000 0.519 31 V N 7.984 127.697 119.914 -0.335 0.000 2.328 31 V HA 0.316 4.437 4.120 0.001 0.000 0.278 31 V C 0.189 176.136 176.094 -0.245 0.000 1.021 31 V CA -0.320 61.822 62.300 -0.264 0.000 0.838 31 V CB 0.917 32.581 31.823 -0.266 0.000 0.999 31 V HN 0.777 nan 8.190 nan 0.000 0.447 32 E N 2.995 123.099 120.200 -0.160 0.000 2.384 32 E HA 0.021 4.372 4.350 0.001 0.000 0.266 32 E C 0.680 177.244 176.600 -0.060 0.000 1.012 32 E CA 0.030 56.362 56.400 -0.114 0.000 0.901 32 E CB 1.410 31.072 29.700 -0.063 0.000 0.967 32 E HN 0.653 nan 8.360 nan 0.000 0.435 33 Q N 2.125 121.878 119.800 -0.079 0.000 2.137 33 Q HA -0.124 4.216 4.340 0.001 0.000 0.198 33 Q C 1.856 177.872 176.000 0.027 0.000 0.960 33 Q CA 1.707 57.484 55.803 -0.042 0.000 0.847 33 Q CB -0.060 28.618 28.738 -0.100 0.000 0.915 33 Q HN 0.611 nan 8.270 nan 0.000 0.448 34 S N -0.899 114.803 115.700 0.004 0.000 2.374 34 S HA -0.198 4.272 4.470 0.001 0.000 0.227 34 S C 1.865 176.501 174.600 0.060 0.000 1.037 34 S CA 1.706 59.915 58.200 0.015 0.000 1.024 34 S CB -1.141 62.060 63.200 0.001 0.000 0.861 34 S HN 0.559 nan 8.310 nan 0.000 0.456 35 T N -3.248 111.362 114.554 0.094 0.000 3.122 35 T HA 0.255 4.606 4.350 0.001 0.000 0.250 35 T C 1.185 176.032 174.700 0.245 0.000 1.067 35 T CA -0.226 61.956 62.100 0.137 0.000 0.966 35 T CB -0.487 68.446 68.868 0.109 0.000 1.002 35 T HN 0.353 nan 8.240 nan 0.000 0.542 36 Y N 3.221 123.599 120.300 0.131 0.000 2.200 36 Y HA 0.123 4.674 4.550 0.001 0.000 0.290 36 Y C -0.989 175.193 175.900 0.469 0.000 1.137 36 Y CA 0.667 58.927 58.100 0.267 0.000 1.163 36 Y CB -1.072 37.493 38.460 0.176 0.000 0.988 36 Y HN 0.223 nan 8.280 nan 0.000 0.518 37 P HA -0.161 nan 4.420 nan 0.000 0.215 37 P C 1.234 178.758 177.300 0.372 0.000 1.157 37 P CA 2.310 65.702 63.100 0.487 0.000 0.874 37 P CB 0.053 31.904 31.700 0.252 0.000 0.790 38 D N -1.656 118.883 120.400 0.232 0.000 2.097 38 D HA -0.159 4.481 4.640 0.001 0.000 0.195 38 D C 1.757 178.174 176.300 0.194 0.000 0.989 38 D CA 0.982 55.090 54.000 0.180 0.000 0.827 38 D CB -1.044 39.838 40.800 0.138 0.000 0.966 38 D HN 0.113 nan 8.370 nan 0.000 0.456 39 F N 0.372 120.368 119.950 0.076 0.000 2.069 39 F HA -0.290 4.237 4.527 0.000 0.000 0.298 39 F C 2.378 178.177 175.800 -0.002 0.000 1.113 39 F CA 1.368 59.392 58.000 0.041 0.000 1.214 39 F CB -0.521 38.523 39.000 0.073 0.000 0.978 39 F HN -0.027 nan 8.300 nan 0.000 0.474 40 Y N -0.438 119.793 120.300 -0.116 0.000 2.224 40 Y HA -0.217 4.333 4.550 0.001 0.000 0.289 40 Y C 1.835 177.586 175.900 -0.249 0.000 1.146 40 Y CA 1.740 59.679 58.100 -0.268 0.000 1.182 40 Y CB -0.802 37.350 38.460 -0.513 0.000 0.983 40 Y HN 0.100 nan 8.280 nan 0.000 0.524 41 F N 0.377 120.171 119.950 -0.260 0.000 2.558 41 F HA -0.019 4.509 4.527 0.000 0.000 0.298 41 F C 2.077 177.713 175.800 -0.273 0.000 1.119 41 F CA 1.103 58.916 58.000 -0.311 0.000 1.451 41 F CB -0.117 38.802 39.000 -0.135 0.000 1.091 41 F HN -0.021 nan 8.300 nan 0.000 0.563 42 K N 0.275 120.599 120.400 -0.127 0.000 2.128 42 K HA 0.021 4.342 4.320 0.001 0.000 0.202 42 K C 2.015 178.453 176.600 -0.271 0.000 1.050 42 K CA 1.448 57.638 56.287 -0.161 0.000 0.966 42 K CB -0.230 32.194 32.500 -0.127 0.000 0.759 42 K HN 0.317 nan 8.250 nan 0.000 0.454 43 I N -0.152 120.150 120.570 -0.446 0.000 2.676 43 I HA -0.103 4.068 4.170 0.001 0.000 0.259 43 I C 1.750 177.705 176.117 -0.269 0.000 1.194 43 I CA 1.279 62.339 61.300 -0.399 0.000 1.473 43 I CB -0.620 37.059 38.000 -0.535 0.000 1.096 43 I HN -0.031 nan 8.210 nan 0.000 0.443 44 T N -2.464 111.870 114.554 -0.367 0.000 3.163 44 T HA 0.240 4.590 4.350 0.001 0.000 0.252 44 T C 0.437 174.983 174.700 -0.257 0.000 1.056 44 T CA -0.233 61.659 62.100 -0.346 0.000 0.947 44 T CB -0.683 67.794 68.868 -0.652 0.000 1.016 44 T HN 0.426 nan 8.240 nan 0.000 0.554 45 N N 0.921 119.512 118.700 -0.182 0.000 2.725 45 N HA -0.145 4.596 4.740 0.001 0.000 0.251 45 N C -0.012 175.486 175.510 -0.020 0.000 1.031 45 N CA 1.007 54.015 53.050 -0.070 0.000 0.720 45 N CB -1.796 36.673 38.487 -0.030 0.000 0.930 45 N HN 0.542 nan 8.380 nan 0.000 0.543 46 S N -1.229 114.400 115.700 -0.119 0.000 2.741 46 S HA 0.135 4.605 4.470 0.001 0.000 0.247 46 S C 1.086 175.682 174.600 -0.007 0.000 1.050 46 S CA -0.704 57.388 58.200 -0.180 0.000 1.025 46 S CB 0.567 63.516 63.200 -0.418 0.000 0.897 46 S HN 0.318 nan 8.310 nan 0.000 0.508 47 E N 1.903 122.156 120.200 0.088 0.000 2.204 47 E HA -0.200 4.150 4.350 0.001 0.000 0.195 47 E C 1.731 178.372 176.600 0.067 0.000 0.990 47 E CA 1.159 57.620 56.400 0.102 0.000 0.821 47 E CB -0.246 29.506 29.700 0.086 0.000 0.750 47 E HN 0.783 nan 8.360 nan 0.000 0.477 48 H N 0.970 120.071 119.070 0.052 0.000 2.495 48 H HA 0.064 4.621 4.556 0.001 0.000 0.287 48 H C 0.385 175.740 175.328 0.045 0.000 1.033 48 H CA 0.500 56.568 56.048 0.033 0.000 1.307 48 H CB -0.247 29.526 29.762 0.019 0.000 1.401 48 H HN -0.067 nan 8.280 nan 0.000 0.555 49 K N 2.264 122.448 120.400 -0.359 0.000 2.278 49 K HA 0.097 4.418 4.320 0.001 0.000 0.237 49 K C 0.520 177.083 176.600 -0.063 0.000 1.229 49 K CA -0.076 56.110 56.287 -0.167 0.000 1.155 49 K CB 0.462 32.874 32.500 -0.147 0.000 1.590 49 K HN 0.144 nan 8.250 nan 0.000 0.290 50 T N 1.236 115.758 114.554 -0.055 0.000 2.708 50 T HA -0.133 4.217 4.350 0.001 0.000 0.266 50 T C 1.537 176.188 174.700 -0.082 0.000 1.037 50 T CA 1.182 63.237 62.100 -0.075 0.000 1.146 50 T CB 0.073 68.921 68.868 -0.034 0.000 0.865 50 T HN 0.419 nan 8.240 nan 0.000 0.435 51 E N 0.887 121.062 120.200 -0.041 0.000 2.106 51 E HA -0.027 4.323 4.350 0.001 0.000 0.192 51 E C 2.200 178.785 176.600 -0.025 0.000 0.984 51 E CA 0.521 56.904 56.400 -0.030 0.000 0.806 51 E CB -0.547 29.147 29.700 -0.010 0.000 0.750 51 E HN 0.279 nan 8.360 nan 0.000 0.458 52 L N 1.718 122.940 121.223 -0.002 0.000 2.046 52 L HA -0.137 4.204 4.340 0.001 0.000 0.208 52 L C 2.272 179.137 176.870 -0.008 0.000 1.077 52 L CA 1.796 56.680 54.840 0.073 0.000 0.747 52 L CB -0.413 41.749 42.059 0.171 0.000 0.896 52 L HN -0.028 nan 8.230 nan 0.000 0.432 53 K N -0.514 119.662 120.400 -0.373 0.000 2.063 53 K HA -0.217 4.103 4.320 0.001 0.000 0.208 53 K C 1.909 178.315 176.600 -0.325 0.000 1.048 53 K CA 1.848 57.592 56.287 -0.905 0.000 0.928 53 K CB -0.053 31.846 32.500 -1.002 0.000 0.713 53 K HN 0.492 nan 8.250 nan 0.000 0.442 54 E N 0.260 120.358 120.200 -0.170 0.000 2.110 54 E HA -0.181 4.170 4.350 0.001 0.000 0.193 54 E C 1.970 178.556 176.600 -0.023 0.000 0.988 54 E CA 1.193 57.545 56.400 -0.081 0.000 0.804 54 E CB 0.082 29.748 29.700 -0.057 0.000 0.745 54 E HN 0.263 nan 8.360 nan 0.000 0.458 55 K N 0.124 120.533 120.400 0.016 0.000 2.057 55 K HA -0.139 4.181 4.320 0.001 0.000 0.207 55 K C 1.978 178.658 176.600 0.133 0.000 1.049 55 K CA 1.018 57.345 56.287 0.068 0.000 0.931 55 K CB -0.188 32.366 32.500 0.090 0.000 0.714 55 K HN 0.059 nan 8.250 nan 0.000 0.440 56 F N 2.316 122.278 119.950 0.020 0.000 2.186 56 F HA -0.183 4.345 4.527 0.000 0.000 0.299 56 F C 2.545 178.367 175.800 0.036 0.000 1.090 56 F CA 1.394 59.444 58.000 0.084 0.000 1.307 56 F CB -0.257 38.906 39.000 0.271 0.000 1.019 56 F HN -0.026 nan 8.300 nan 0.000 0.489 57 Q N 0.875 120.677 119.800 0.003 0.000 2.096 57 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 57 Q C 2.477 178.409 176.000 -0.114 0.000 0.982 57 Q CA 2.106 57.857 55.803 -0.086 0.000 0.850 57 Q CB -0.533 28.175 28.738 -0.051 0.000 0.901 57 Q HN 0.425 nan 8.270 nan 0.000 0.422 58 R N -0.719 119.739 120.500 -0.071 0.000 2.081 58 R HA -0.115 4.225 4.340 0.001 0.000 0.235 58 R C 2.182 178.427 176.300 -0.091 0.000 1.131 58 R CA 1.656 57.718 56.100 -0.063 0.000 0.960 58 R CB -0.217 30.064 30.300 -0.031 0.000 0.856 58 R HN 0.391 nan 8.270 nan 0.000 0.436 59 M N -0.200 119.335 119.600 -0.109 0.000 2.080 59 M HA -0.234 4.246 4.480 0.001 0.000 0.260 59 M C 2.585 178.754 176.300 -0.219 0.000 1.068 59 M CA 1.665 56.884 55.300 -0.136 0.000 1.109 59 M CB -0.300 32.236 32.600 -0.107 0.000 1.342 59 M HN 0.287 nan 8.290 nan 0.000 0.405 60 C N 0.497 119.581 119.300 -0.360 0.000 2.429 60 C HA -0.136 4.325 4.460 0.001 0.000 0.277 60 C C 2.205 177.090 174.990 -0.175 0.000 1.262 60 C CA 0.799 59.625 59.018 -0.321 0.000 1.733 60 C CB -1.037 26.471 27.740 -0.387 0.000 2.010 60 C HN 0.534 nan 8.230 nan 0.000 0.483 61 D N 0.593 120.910 120.400 -0.139 0.000 2.219 61 D HA -0.080 4.560 4.640 0.001 0.000 0.205 61 D C 2.015 178.269 176.300 -0.077 0.000 0.970 61 D CA 1.080 55.027 54.000 -0.089 0.000 0.851 61 D CB -0.305 40.453 40.800 -0.068 0.000 0.943 61 D HN 0.527 nan 8.370 nan 0.000 0.488 62 K N 0.233 120.584 120.400 -0.081 0.000 2.426 62 K HA 0.034 4.354 4.320 0.001 0.000 0.193 62 K C 2.004 178.563 176.600 -0.068 0.000 1.028 62 K CA 0.210 56.459 56.287 -0.064 0.000 1.047 62 K CB 0.344 32.811 32.500 -0.054 0.000 0.821 62 K HN 0.020 nan 8.250 nan 0.000 0.513 63 S N 0.926 116.572 115.700 -0.090 0.000 2.399 63 S HA -0.164 4.306 4.470 0.001 0.000 0.231 63 S C 1.185 175.743 174.600 -0.071 0.000 1.022 63 S CA 0.857 59.003 58.200 -0.091 0.000 0.983 63 S CB -0.211 62.913 63.200 -0.126 0.000 0.803 63 S HN 0.260 nan 8.310 nan 0.000 0.480 64 M N -0.675 118.887 119.600 -0.064 0.000 2.872 64 M HA -0.111 4.370 4.480 0.001 0.000 0.200 64 M C -0.658 175.610 176.300 -0.053 0.000 0.582 64 M CA 0.555 55.826 55.300 -0.050 0.000 0.706 64 M CB -2.627 29.952 32.600 -0.035 0.000 2.560 64 M HN 0.485 nan 8.290 nan 0.000 0.476 65 I N -0.198 120.328 120.570 -0.072 0.000 2.354 65 I HA 0.170 4.340 4.170 0.001 0.000 0.292 65 I C 1.353 177.413 176.117 -0.095 0.000 0.989 65 I CA -0.396 60.854 61.300 -0.084 0.000 1.188 65 I CB 1.641 39.578 38.000 -0.105 0.000 1.342 65 I HN 0.141 nan 8.210 nan 0.000 0.457 66 K N 5.412 125.754 120.400 -0.098 0.000 2.166 66 K HA 0.146 4.466 4.320 0.001 0.000 0.201 66 K C 0.250 176.767 176.600 -0.139 0.000 1.052 66 K CA 0.698 56.923 56.287 -0.102 0.000 0.969 66 K CB 0.357 32.803 32.500 -0.091 0.000 0.761 66 K HN 0.600 nan 8.250 nan 0.000 0.459 67 R N -0.239 120.152 120.500 -0.182 0.000 2.692 67 R HA 0.467 4.808 4.340 0.001 0.000 0.269 67 R C -1.345 174.779 176.300 -0.293 0.000 1.030 67 R CA -0.986 54.956 56.100 -0.264 0.000 0.882 67 R CB 1.501 31.609 30.300 -0.321 0.000 1.250 67 R HN -0.161 nan 8.270 nan 0.000 0.465 68 R N 0.560 120.839 120.500 -0.368 0.000 2.808 68 R HA 0.409 4.749 4.340 0.001 0.000 0.272 68 R C -1.471 174.570 176.300 -0.433 0.000 0.995 68 R CA -0.919 55.017 56.100 -0.273 0.000 0.917 68 R CB 2.070 32.264 30.300 -0.176 0.000 1.217 68 R HN 0.509 nan 8.270 nan 0.000 0.471 69 Y N 1.429 121.733 120.300 0.007 0.000 2.331 69 Y HA 0.462 5.012 4.550 0.001 0.000 0.338 69 Y C 0.154 176.079 175.900 0.042 0.000 0.976 69 Y CA -0.415 57.705 58.100 0.034 0.000 1.137 69 Y CB 1.448 39.963 38.460 0.093 0.000 1.172 69 Y HN 0.192 nan 8.280 nan 0.000 0.478 70 M N 3.208 122.883 119.600 0.125 0.000 2.263 70 M HA 0.167 4.648 4.480 0.001 0.000 0.295 70 M C 0.127 176.506 176.300 0.133 0.000 1.028 70 M CA -0.837 54.536 55.300 0.122 0.000 0.921 70 M CB 1.711 34.347 32.600 0.061 0.000 1.601 70 M HN 0.846 nan 8.290 nan 0.000 0.440 71 Y N 3.827 124.161 120.300 0.057 0.000 2.165 71 Y HA -0.018 4.532 4.550 0.001 0.000 0.286 71 Y C 0.192 176.102 175.900 0.017 0.000 1.155 71 Y CA 1.509 59.633 58.100 0.041 0.000 1.164 71 Y CB 0.174 38.656 38.460 0.036 0.000 0.978 71 Y HN 0.534 nan 8.280 nan 0.000 0.513 72 L N 2.195 123.428 121.223 0.017 0.000 2.453 72 L HA 0.143 4.483 4.340 0.001 0.000 0.272 72 L C 0.620 177.413 176.870 -0.128 0.000 1.182 72 L CA 0.397 55.164 54.840 -0.122 0.000 0.858 72 L CB 0.463 42.457 42.059 -0.108 0.000 1.120 72 L HN 0.284 nan 8.230 nan 0.000 0.474 73 T N -2.134 112.334 114.554 -0.143 0.000 2.883 73 T HA 0.222 4.573 4.350 0.001 0.000 0.284 73 T C 0.653 175.383 174.700 0.050 0.000 1.041 73 T CA -0.776 61.294 62.100 -0.049 0.000 1.007 73 T CB 1.719 70.534 68.868 -0.087 0.000 1.220 73 T HN 0.648 nan 8.240 nan 0.000 0.552 74 E N 0.076 120.370 120.200 0.158 0.000 2.077 74 E HA -0.202 4.148 4.350 0.001 0.000 0.193 74 E C 1.853 178.484 176.600 0.051 0.000 0.989 74 E CA 1.384 57.897 56.400 0.188 0.000 0.800 74 E CB -0.050 29.814 29.700 0.272 0.000 0.746 74 E HN 0.795 nan 8.360 nan 0.000 0.452 75 E N 0.415 120.628 120.200 0.022 0.000 2.051 75 E HA -0.204 4.146 4.350 0.001 0.000 0.192 75 E C 2.177 178.763 176.600 -0.024 0.000 0.991 75 E CA 1.367 57.765 56.400 -0.005 0.000 0.799 75 E CB -0.130 29.562 29.700 -0.012 0.000 0.748 75 E HN 0.379 nan 8.360 nan 0.000 0.449 76 I N 0.976 121.515 120.570 -0.051 0.000 2.226 76 I HA -0.305 3.865 4.170 0.001 0.000 0.245 76 I C 2.483 178.575 176.117 -0.042 0.000 1.100 76 I CA 0.921 62.186 61.300 -0.058 0.000 1.374 76 I CB -0.223 37.707 38.000 -0.117 0.000 1.057 76 I HN 0.206 nan 8.210 nan 0.000 0.413 77 L N 0.515 121.704 121.223 -0.057 0.000 2.083 77 L HA -0.224 4.116 4.340 0.001 0.000 0.209 77 L C 2.559 179.409 176.870 -0.033 0.000 1.083 77 L CA 1.363 56.166 54.840 -0.063 0.000 0.752 77 L CB -0.538 41.460 42.059 -0.102 0.000 0.899 77 L HN 0.217 nan 8.230 nan 0.000 0.433 78 K N 0.458 120.842 120.400 -0.027 0.000 2.283 78 K HA -0.151 4.169 4.320 0.001 0.000 0.202 78 K C 1.582 178.175 176.600 -0.012 0.000 1.048 78 K CA 1.071 57.345 56.287 -0.022 0.000 0.948 78 K CB 0.163 32.652 32.500 -0.017 0.000 0.742 78 K HN 0.372 nan 8.250 nan 0.000 0.458 79 E N -0.169 120.026 120.200 -0.009 0.000 2.489 79 E HA 0.021 4.371 4.350 0.001 0.000 0.193 79 E C -0.264 176.338 176.600 0.005 0.000 1.057 79 E CA 0.091 56.490 56.400 -0.001 0.000 0.866 79 E CB 0.334 30.035 29.700 0.001 0.000 0.916 79 E HN 0.219 nan 8.360 nan 0.000 0.500 80 N N 1.220 119.923 118.700 0.005 0.000 2.765 80 N HA 0.094 4.834 4.740 0.001 0.000 0.277 80 N C -2.225 173.298 175.510 0.020 0.000 1.750 80 N CA -0.928 52.132 53.050 0.016 0.000 0.827 80 N CB 1.372 39.874 38.487 0.025 0.000 1.200 80 N HN 0.014 nan 8.380 nan 0.000 0.494 81 P HA -0.104 nan 4.420 nan 0.000 0.218 81 P C 0.901 178.215 177.300 0.024 0.000 1.148 81 P CA 1.241 64.348 63.100 0.012 0.000 0.822 81 P CB 0.500 32.202 31.700 0.002 0.000 0.784 82 N N -0.606 118.109 118.700 0.025 0.000 2.309 82 N HA -0.076 4.664 4.740 0.001 0.000 0.182 82 N C 1.662 177.200 175.510 0.046 0.000 1.018 82 N CA 0.612 53.678 53.050 0.027 0.000 0.876 82 N CB -0.972 37.527 38.487 0.019 0.000 0.972 82 N HN 0.018 nan 8.380 nan 0.000 0.434 83 V N -0.437 119.521 119.914 0.073 0.000 2.719 83 V HA -0.138 3.982 4.120 0.001 0.000 0.252 83 V C 1.929 178.155 176.094 0.220 0.000 1.065 83 V CA 0.922 63.305 62.300 0.140 0.000 1.086 83 V CB -0.329 31.579 31.823 0.141 0.000 0.700 83 V HN 0.374 nan 8.190 nan 0.000 0.467 84 C N -0.410 118.986 119.300 0.161 0.000 2.500 84 C HA 0.069 4.530 4.460 0.001 0.000 0.273 84 C C 1.272 176.279 174.990 0.029 0.000 1.428 84 C CA -0.404 58.707 59.018 0.154 0.000 1.766 84 C CB -1.092 26.686 27.740 0.063 0.000 1.817 84 C HN 0.548 nan 8.230 nan 0.000 0.543 85 E N -0.600 119.615 120.200 0.025 0.000 2.345 85 E HA 0.058 4.408 4.350 0.001 0.000 0.259 85 E C 0.370 176.985 176.600 0.026 0.000 1.117 85 E CA -0.358 56.050 56.400 0.013 0.000 0.913 85 E CB 0.470 30.183 29.700 0.022 0.000 1.057 85 E HN 0.380 nan 8.360 nan 0.000 0.432 86 Y N 1.566 121.823 120.300 -0.072 0.000 2.145 86 Y HA -0.108 4.442 4.550 0.001 0.000 0.286 86 Y C 0.877 176.745 175.900 -0.053 0.000 1.145 86 Y CA 1.432 59.486 58.100 -0.076 0.000 1.148 86 Y CB 0.341 38.758 38.460 -0.071 0.000 0.981 86 Y HN 0.384 nan 8.280 nan 0.000 0.507 87 M N 0.605 120.144 119.600 -0.102 0.000 1.962 87 M HA 0.570 5.051 4.480 0.001 0.000 0.227 87 M C -1.458 174.807 176.300 -0.057 0.000 0.890 87 M CA -0.389 54.801 55.300 -0.184 0.000 0.843 87 M CB 0.983 33.486 32.600 -0.161 0.000 1.894 87 M HN 0.173 nan 8.290 nan 0.000 0.359 88 A N 3.378 126.170 122.820 -0.048 0.000 2.454 88 A HA 1.042 5.363 4.320 0.001 0.000 0.302 88 A C -2.895 174.680 177.584 -0.016 0.000 1.079 88 A CA -1.624 50.404 52.037 -0.016 0.000 0.731 88 A CB 1.029 20.029 19.000 0.001 0.000 1.299 88 A HN 0.453 nan 8.150 nan 0.000 0.413 89 P HA 0.089 nan 4.420 nan 0.000 0.261 89 P C 0.385 177.686 177.300 0.001 0.000 1.203 89 P CA 0.833 63.930 63.100 -0.005 0.000 0.767 89 P CB 0.560 32.259 31.700 -0.002 0.000 0.785 90 S N 1.123 116.824 115.700 0.002 0.000 2.752 90 S HA 0.019 4.489 4.470 0.001 0.000 0.242 90 S C 0.959 175.565 174.600 0.011 0.000 0.914 90 S CA -0.344 57.864 58.200 0.012 0.000 1.427 90 S CB -0.927 62.286 63.200 0.023 0.000 1.244 90 S HN 0.217 nan 8.310 nan 0.000 0.655 91 L N 2.812 124.036 121.223 0.001 0.000 2.083 91 L HA 0.060 4.400 4.340 0.001 0.000 0.209 91 L C 1.626 178.493 176.870 -0.005 0.000 1.083 91 L CA 2.202 57.040 54.840 -0.004 0.000 0.752 91 L CB -0.636 41.416 42.059 -0.012 0.000 0.899 91 L HN 0.158 nan 8.230 nan 0.000 0.433 92 D N -0.001 120.397 120.400 -0.003 0.000 2.097 92 D HA -0.171 4.469 4.640 0.001 0.000 0.195 92 D C 2.231 178.534 176.300 0.004 0.000 0.989 92 D CA 1.627 55.625 54.000 -0.003 0.000 0.827 92 D CB -0.320 40.479 40.800 -0.002 0.000 0.966 92 D HN 0.496 nan 8.370 nan 0.000 0.456 93 A N 0.871 123.699 122.820 0.013 0.000 1.902 93 A HA -0.191 4.130 4.320 0.001 0.000 0.217 93 A C 2.183 179.785 177.584 0.029 0.000 1.181 93 A CA 1.425 53.477 52.037 0.025 0.000 0.623 93 A CB -0.429 18.590 19.000 0.032 0.000 0.818 93 A HN 0.132 nan 8.150 nan 0.000 0.443 94 R N -0.837 119.677 120.500 0.025 0.000 2.075 94 R HA -0.090 4.251 4.340 0.001 0.000 0.232 94 R C 2.455 178.750 176.300 -0.009 0.000 1.126 94 R CA 1.303 57.416 56.100 0.022 0.000 0.963 94 R CB -0.287 30.028 30.300 0.026 0.000 0.858 94 R HN 0.541 nan 8.270 nan 0.000 0.435 95 Q N 0.754 120.543 119.800 -0.017 0.000 2.084 95 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 95 Q C 1.507 177.489 176.000 -0.029 0.000 0.978 95 Q CA 1.439 57.222 55.803 -0.033 0.000 0.844 95 Q CB -0.193 28.523 28.738 -0.036 0.000 0.898 95 Q HN 0.348 nan 8.270 nan 0.000 0.426 96 D N 0.131 120.525 120.400 -0.011 0.000 2.149 96 D HA -0.136 4.505 4.640 0.001 0.000 0.198 96 D C 1.962 178.258 176.300 -0.007 0.000 0.990 96 D CA 1.130 55.130 54.000 0.000 0.000 0.839 96 D CB -0.149 40.662 40.800 0.017 0.000 0.948 96 D HN 0.261 nan 8.370 nan 0.000 0.460 97 M N 0.056 119.646 119.600 -0.017 0.000 2.077 97 M HA -0.119 4.361 4.480 0.001 0.000 0.261 97 M C 2.366 178.522 176.300 -0.241 0.000 1.070 97 M CA 1.125 56.371 55.300 -0.090 0.000 1.125 97 M CB -0.203 32.364 32.600 -0.057 0.000 1.339 97 M HN 0.000 nan 8.290 nan 0.000 0.409 98 V N -3.492 116.309 119.914 -0.187 0.000 2.951 98 V HA -0.010 4.110 4.120 0.001 0.000 0.255 98 V C 2.007 178.044 176.094 -0.095 0.000 1.088 98 V CA 0.695 62.885 62.300 -0.183 0.000 1.109 98 V CB -0.903 30.845 31.823 -0.124 0.000 0.724 98 V HN 0.268 nan 8.190 nan 0.000 0.471 99 V N 0.335 120.215 119.914 -0.056 0.000 2.490 99 V HA -0.159 3.962 4.120 0.001 0.000 0.250 99 V C 2.518 178.607 176.094 -0.007 0.000 1.061 99 V CA 2.157 64.450 62.300 -0.012 0.000 1.064 99 V CB -0.019 31.801 31.823 -0.005 0.000 0.670 99 V HN 0.512 nan 8.190 nan 0.000 0.461 100 V N -0.647 119.248 119.914 -0.031 0.000 2.575 100 V HA -0.050 4.070 4.120 0.001 0.000 0.242 100 V C 2.382 178.451 176.094 -0.042 0.000 1.045 100 V CA 1.467 63.757 62.300 -0.017 0.000 1.065 100 V CB -0.173 31.651 31.823 0.002 0.000 0.717 100 V HN 0.531 nan 8.190 nan 0.000 0.467 101 E N 0.716 120.842 120.200 -0.123 0.000 2.072 101 E HA -0.149 4.201 4.350 0.001 0.000 0.191 101 E C 2.035 178.587 176.600 -0.080 0.000 0.985 101 E CA 1.443 57.758 56.400 -0.142 0.000 0.801 101 E CB -0.366 29.078 29.700 -0.427 0.000 0.750 101 E HN 0.288 nan 8.360 nan 0.000 0.452 102 V N 1.537 121.404 119.914 -0.077 0.000 2.233 102 V HA -0.208 3.912 4.120 0.001 0.000 0.247 102 V C -0.779 175.306 176.094 -0.015 0.000 1.050 102 V CA 2.499 64.778 62.300 -0.034 0.000 1.010 102 V CB -1.491 30.325 31.823 -0.012 0.000 0.637 102 V HN 0.329 nan 8.190 nan 0.000 0.444 103 P HA -0.148 nan 4.420 nan 0.000 0.217 103 P C 1.678 178.974 177.300 -0.007 0.000 1.150 103 P CA 1.364 64.460 63.100 -0.006 0.000 0.832 103 P CB -0.150 31.552 31.700 0.003 0.000 0.787 104 R N -0.248 120.251 120.500 -0.001 0.000 2.073 104 R HA -0.135 4.205 4.340 0.001 0.000 0.234 104 R C 2.124 178.431 176.300 0.012 0.000 1.134 104 R CA 1.360 57.466 56.100 0.009 0.000 0.952 104 R CB -1.051 29.265 30.300 0.025 0.000 0.850 104 R HN 0.096 nan 8.270 nan 0.000 0.433 105 L N 0.459 121.691 121.223 0.015 0.000 2.093 105 L HA 0.034 4.374 4.340 0.001 0.000 0.208 105 L C 2.134 179.009 176.870 0.009 0.000 1.085 105 L CA 2.123 56.977 54.840 0.023 0.000 0.755 105 L CB -0.779 41.300 42.059 0.035 0.000 0.904 105 L HN 0.306 nan 8.230 nan 0.000 0.435 106 G N -0.848 107.950 108.800 -0.003 0.000 2.422 106 G HA2 -0.310 3.650 3.960 0.001 0.000 0.218 106 G HA3 -0.310 3.650 3.960 0.001 0.000 0.218 106 G C 1.697 176.584 174.900 -0.022 0.000 1.146 106 G CA 0.791 45.882 45.100 -0.015 0.000 0.769 106 G HN 0.430 nan 8.290 nan 0.000 0.547 107 K N 0.563 120.952 120.400 -0.018 0.000 2.097 107 K HA -0.088 4.232 4.320 0.001 0.000 0.206 107 K C 2.311 178.901 176.600 -0.017 0.000 1.049 107 K CA 1.424 57.700 56.287 -0.020 0.000 0.933 107 K CB -0.175 32.315 32.500 -0.017 0.000 0.717 107 K HN 0.410 nan 8.250 nan 0.000 0.442 108 E N 0.041 120.234 120.200 -0.011 0.000 2.051 108 E HA -0.184 4.167 4.350 0.001 0.000 0.192 108 E C 2.008 178.592 176.600 -0.028 0.000 0.991 108 E CA 1.119 57.512 56.400 -0.012 0.000 0.799 108 E CB -0.125 29.573 29.700 -0.003 0.000 0.748 108 E HN 0.435 nan 8.360 nan 0.000 0.449 109 A N 1.503 124.300 122.820 -0.037 0.000 1.902 109 A HA -0.098 4.223 4.320 0.001 0.000 0.217 109 A C 2.395 179.942 177.584 -0.060 0.000 1.181 109 A CA 1.652 53.648 52.037 -0.068 0.000 0.623 109 A CB -0.616 18.335 19.000 -0.080 0.000 0.818 109 A HN 0.290 nan 8.150 nan 0.000 0.443 110 A N -0.632 122.161 122.820 -0.046 0.000 1.902 110 A HA -0.003 4.317 4.320 0.001 0.000 0.217 110 A C 2.218 179.792 177.584 -0.017 0.000 1.181 110 A CA 1.752 53.766 52.037 -0.039 0.000 0.623 110 A CB -0.893 18.085 19.000 -0.037 0.000 0.818 110 A HN 0.377 nan 8.150 nan 0.000 0.443 111 V N 0.118 120.024 119.914 -0.013 0.000 2.407 111 V HA -0.270 3.851 4.120 0.001 0.000 0.248 111 V C 2.458 178.555 176.094 0.004 0.000 1.055 111 V CA 2.342 64.643 62.300 0.001 0.000 1.049 111 V CB -0.609 31.212 31.823 -0.004 0.000 0.662 111 V HN 0.556 nan 8.190 nan 0.000 0.455 112 K N 0.152 120.544 120.400 -0.013 0.000 2.057 112 K HA -0.125 4.195 4.320 0.001 0.000 0.207 112 K C 2.303 178.900 176.600 -0.004 0.000 1.049 112 K CA 1.486 57.763 56.287 -0.017 0.000 0.931 112 K CB -0.406 32.068 32.500 -0.043 0.000 0.714 112 K HN 0.474 nan 8.250 nan 0.000 0.440 113 A N 1.402 124.213 122.820 -0.014 0.000 1.933 113 A HA -0.130 4.190 4.320 0.001 0.000 0.218 113 A C 2.101 179.736 177.584 0.084 0.000 1.175 113 A CA 1.243 53.281 52.037 0.001 0.000 0.628 113 A CB -0.556 18.415 19.000 -0.049 0.000 0.814 113 A HN 0.177 nan 8.150 nan 0.000 0.444 114 I N -0.645 119.986 120.570 0.102 0.000 2.315 114 I HA -0.240 3.931 4.170 0.001 0.000 0.248 114 I C 2.497 178.727 176.117 0.189 0.000 1.117 114 I CA 1.769 63.205 61.300 0.227 0.000 1.404 114 I CB -0.197 37.909 38.000 0.176 0.000 1.071 114 I HN 0.371 nan 8.210 nan 0.000 0.419 115 K N 1.220 121.676 120.400 0.093 0.000 2.057 115 K HA -0.249 4.071 4.320 0.001 0.000 0.206 115 K C 2.135 178.769 176.600 0.056 0.000 1.050 115 K CA 1.633 57.950 56.287 0.050 0.000 0.935 115 K CB -0.079 32.434 32.500 0.022 0.000 0.715 115 K HN 0.273 nan 8.250 nan 0.000 0.439 116 E N -0.359 119.884 120.200 0.073 0.000 2.058 116 E HA -0.241 4.110 4.350 0.001 0.000 0.194 116 E C 1.783 178.463 176.600 0.132 0.000 0.997 116 E CA 1.407 57.849 56.400 0.071 0.000 0.801 116 E CB -0.301 29.431 29.700 0.053 0.000 0.746 116 E HN 0.493 nan 8.360 nan 0.000 0.450 117 W N 0.797 122.078 121.300 -0.033 0.000 2.338 117 W HA -0.136 4.525 4.660 0.001 0.000 0.304 117 W C 1.572 178.076 176.519 -0.025 0.000 1.212 117 W CA 2.847 60.175 57.345 -0.028 0.000 1.264 117 W CB -0.603 28.842 29.460 -0.025 0.000 1.142 117 W HN 0.375 nan 8.180 nan 0.000 0.512 118 G N -0.530 108.216 108.800 -0.090 0.000 2.179 118 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 118 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 118 G C 0.356 174.993 174.900 -0.438 0.000 0.977 118 G CA 0.515 45.481 45.100 -0.223 0.000 0.641 118 G HN 0.400 nan 8.290 nan 0.000 0.533 119 Q N 0.163 119.415 119.800 -0.913 0.000 2.204 119 Q HA 0.567 4.907 4.340 0.001 0.000 0.254 119 Q C -2.482 173.127 176.000 -0.652 0.000 0.981 119 Q CA -2.111 53.100 55.803 -0.987 0.000 0.897 119 Q CB 0.414 28.116 28.738 -1.726 0.000 1.273 119 Q HN 0.177 nan 8.270 nan 0.000 0.464 120 P HA -0.016 nan 4.420 nan 0.000 0.265 120 P C 0.399 177.702 177.300 0.004 0.000 1.193 120 P CA 0.168 63.184 63.100 -0.140 0.000 0.765 120 P CB 0.436 32.084 31.700 -0.086 0.000 0.823 121 K N 1.034 121.477 120.400 0.071 0.000 2.362 121 K HA -0.097 4.223 4.320 0.001 0.000 0.200 121 K C 1.363 178.030 176.600 0.111 0.000 1.046 121 K CA 1.538 57.920 56.287 0.157 0.000 0.952 121 K CB -0.464 32.090 32.500 0.089 0.000 0.753 121 K HN 0.385 nan 8.250 nan 0.000 0.466 122 S N 1.138 116.875 115.700 0.062 0.000 2.507 122 S HA -0.030 4.441 4.470 0.001 0.000 0.235 122 S C 1.472 176.131 174.600 0.099 0.000 0.988 122 S CA 0.442 58.668 58.200 0.043 0.000 0.944 122 S CB -0.093 63.127 63.200 0.033 0.000 0.762 122 S HN 0.356 nan 8.310 nan 0.000 0.526 123 K N 0.475 120.974 120.400 0.165 0.000 2.444 123 K HA 0.290 4.610 4.320 0.001 0.000 0.193 123 K C -0.080 176.687 176.600 0.278 0.000 1.024 123 K CA 0.036 56.463 56.287 0.235 0.000 1.077 123 K CB -0.065 32.594 32.500 0.265 0.000 0.833 123 K HN 0.472 nan 8.250 nan 0.000 0.517 124 I N 2.309 123.011 120.570 0.220 0.000 2.436 124 I HA -0.074 4.096 4.170 0.001 0.000 0.289 124 I C 1.545 177.706 176.117 0.074 0.000 1.083 124 I CA 0.117 61.480 61.300 0.106 0.000 1.372 124 I CB 1.221 39.247 38.000 0.043 0.000 1.408 124 I HN 0.150 nan 8.210 nan 0.000 0.516 125 T N 1.758 116.378 114.554 0.111 0.000 3.023 125 T HA 0.172 4.523 4.350 0.001 0.000 0.249 125 T C 0.662 175.314 174.700 -0.079 0.000 1.050 125 T CA 0.333 62.479 62.100 0.076 0.000 1.088 125 T CB 0.103 69.082 68.868 0.183 0.000 0.946 125 T HN 0.469 nan 8.240 nan 0.000 0.480 126 H N -0.008 119.092 119.070 0.050 0.000 2.768 126 H HA 0.679 5.235 4.556 0.001 0.000 0.371 126 H C -1.754 173.607 175.328 0.054 0.000 1.151 126 H CA -1.033 55.076 56.048 0.101 0.000 1.165 126 H CB 2.595 32.421 29.762 0.106 0.000 1.722 126 H HN 0.092 nan 8.280 nan 0.000 0.543 127 L N 3.413 124.764 121.223 0.214 0.000 2.406 127 L HA 0.465 4.805 4.340 0.001 0.000 0.272 127 L C -1.486 175.488 176.870 0.173 0.000 0.980 127 L CA -0.340 54.566 54.840 0.110 0.000 0.831 127 L CB 1.143 43.220 42.059 0.030 0.000 1.253 127 L HN 0.515 nan 8.230 nan 0.000 0.406 128 I N 5.773 126.395 120.570 0.086 0.000 2.362 128 I HA 0.520 4.690 4.170 0.001 0.000 0.289 128 I C -0.753 175.359 176.117 -0.008 0.000 0.994 128 I CA -0.820 60.521 61.300 0.068 0.000 1.158 128 I CB 1.843 39.836 38.000 -0.012 0.000 1.315 128 I HN 0.287 nan 8.210 nan 0.000 0.451 129 V N 5.676 125.569 119.914 -0.035 0.000 2.555 129 V HA 0.415 4.536 4.120 0.001 0.000 0.302 129 V C -0.598 175.419 176.094 -0.128 0.000 1.038 129 V CA -0.566 61.681 62.300 -0.088 0.000 0.887 129 V CB 1.968 33.724 31.823 -0.113 0.000 0.991 129 V HN 0.882 nan 8.190 nan 0.000 0.434 130 C N 4.028 123.261 119.300 -0.113 0.000 2.482 130 C HA 0.878 5.338 4.460 0.001 0.000 0.317 130 C C -0.221 174.710 174.990 -0.098 0.000 1.197 130 C CA 0.051 58.998 59.018 -0.118 0.000 1.432 130 C CB 0.899 28.584 27.740 -0.091 0.000 2.062 130 C HN 1.060 nan 8.230 nan 0.000 0.471 131 T N 2.723 117.227 114.554 -0.083 0.000 2.932 131 T HA 0.477 4.827 4.350 0.001 0.000 0.318 131 T C 0.272 174.977 174.700 0.009 0.000 1.265 131 T CA -0.135 61.948 62.100 -0.029 0.000 1.036 131 T CB 1.573 70.454 68.868 0.021 0.000 1.209 131 T HN 0.664 nan 8.240 nan 0.000 0.484 132 T N 2.296 116.823 114.554 -0.045 0.000 3.145 132 T HA 0.250 4.600 4.350 0.001 0.000 0.255 132 T C 0.107 174.780 174.700 -0.045 0.000 1.039 132 T CA -0.135 61.931 62.100 -0.058 0.000 0.928 132 T CB 0.131 68.911 68.868 -0.147 0.000 1.029 132 T HN 0.444 nan 8.240 nan 0.000 0.554 133 S N 2.198 117.889 115.700 -0.015 0.000 2.516 133 S HA 0.629 5.100 4.470 0.001 0.000 0.268 133 S C 0.616 175.212 174.600 -0.007 0.000 1.251 133 S CA -0.741 57.441 58.200 -0.029 0.000 1.153 133 S CB 0.774 63.946 63.200 -0.046 0.000 1.009 133 S HN 0.740 nan 8.310 nan 0.000 0.479 134 G N 1.294 110.071 108.800 -0.039 0.000 2.758 134 G HA2 0.052 4.012 3.960 0.001 0.000 0.686 134 G HA3 0.052 4.012 3.960 0.001 0.000 0.686 134 G C -0.675 174.092 174.900 -0.221 0.000 1.389 134 G CA -0.478 44.569 45.100 -0.088 0.000 0.845 134 G HN 1.691 nan 8.290 nan 0.000 0.572 135 V N -2.442 117.251 119.914 -0.370 0.000 3.049 135 V HA 0.989 5.110 4.120 0.001 0.000 0.309 135 V C -0.609 175.230 176.094 -0.425 0.000 1.148 135 V CA -0.045 61.740 62.300 -0.857 0.000 0.990 135 V CB 2.207 33.503 31.823 -0.878 0.000 1.039 135 V HN 1.579 nan 8.190 nan 0.000 0.430 136 D N 1.627 121.831 120.400 -0.326 0.000 2.653 136 D HA 0.610 5.251 4.640 0.001 0.000 0.258 136 D C -1.329 174.976 176.300 0.009 0.000 1.252 136 D CA -0.437 53.513 54.000 -0.084 0.000 0.777 136 D CB 2.239 43.036 40.800 -0.004 0.000 1.339 136 D HN 0.832 nan 8.370 nan 0.000 0.422 137 M N 1.816 121.410 119.600 -0.010 0.000 2.393 137 M HA 0.475 4.955 4.480 0.001 0.000 0.316 137 M C -2.090 174.173 176.300 -0.061 0.000 1.087 137 M CA -1.645 53.646 55.300 -0.014 0.000 0.937 137 M CB 1.778 34.362 32.600 -0.026 0.000 1.668 137 M HN 0.278 nan 8.290 nan 0.000 0.438 138 P HA -0.024 nan 4.420 nan 0.000 0.266 138 P C 0.027 177.357 177.300 0.050 0.000 1.162 138 P CA 0.060 63.082 63.100 -0.131 0.000 0.758 138 P CB 0.143 31.543 31.700 -0.500 0.000 0.774 139 G N 0.690 109.570 108.800 0.134 0.000 2.588 139 G HA2 0.368 4.329 3.960 0.001 0.000 0.278 139 G HA3 0.368 4.329 3.960 0.001 0.000 0.278 139 G C 1.067 176.078 174.900 0.185 0.000 1.307 139 G CA -0.177 45.065 45.100 0.236 0.000 1.016 139 G HN 0.570 nan 8.290 nan 0.000 0.503 140 A N -0.394 122.511 122.820 0.142 0.000 2.019 140 A HA -0.071 4.249 4.320 0.001 0.000 0.219 140 A C 2.032 179.623 177.584 0.012 0.000 1.164 140 A CA 2.161 54.236 52.037 0.063 0.000 0.644 140 A CB -0.522 18.492 19.000 0.023 0.000 0.805 140 A HN 0.738 nan 8.150 nan 0.000 0.449 141 D N -1.082 119.307 120.400 -0.018 0.000 2.097 141 D HA -0.271 4.370 4.640 0.001 0.000 0.195 141 D C 1.838 178.152 176.300 0.024 0.000 0.989 141 D CA 1.747 55.737 54.000 -0.018 0.000 0.827 141 D CB -0.852 39.923 40.800 -0.041 0.000 0.966 141 D HN 0.572 nan 8.370 nan 0.000 0.456 142 Y N 1.529 121.808 120.300 -0.035 0.000 2.163 142 Y HA -0.187 4.364 4.550 0.001 0.000 0.288 142 Y C 2.555 178.442 175.900 -0.021 0.000 1.136 142 Y CA 1.866 59.949 58.100 -0.027 0.000 1.147 142 Y CB -0.205 38.247 38.460 -0.014 0.000 0.987 142 Y HN -0.165 nan 8.280 nan 0.000 0.509 143 Q N 0.549 120.379 119.800 0.051 0.000 2.061 143 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 143 Q C 2.464 178.392 176.000 -0.120 0.000 0.984 143 Q CA 1.928 57.704 55.803 -0.045 0.000 0.846 143 Q CB -0.805 27.966 28.738 0.055 0.000 0.902 143 Q HN 0.570 nan 8.270 nan 0.000 0.421 144 L N 0.313 121.488 121.223 -0.081 0.000 2.141 144 L HA -0.155 4.186 4.340 0.001 0.000 0.209 144 L C 2.392 179.191 176.870 -0.117 0.000 1.094 144 L CA 1.197 55.987 54.840 -0.083 0.000 0.763 144 L CB -0.534 41.490 42.059 -0.057 0.000 0.908 144 L HN 0.219 nan 8.230 nan 0.000 0.437 145 T N -0.565 113.894 114.554 -0.158 0.000 2.684 145 T HA -0.269 4.082 4.350 0.001 0.000 0.267 145 T C 1.895 176.465 174.700 -0.217 0.000 1.036 145 T CA 1.678 63.668 62.100 -0.182 0.000 1.148 145 T CB -0.093 68.654 68.868 -0.201 0.000 0.863 145 T HN 0.278 nan 8.240 nan 0.000 0.436 146 K N 0.750 120.959 120.400 -0.317 0.000 2.001 146 K HA -0.007 4.314 4.320 0.001 0.000 0.208 146 K C 2.308 178.815 176.600 -0.155 0.000 1.048 146 K CA 1.124 57.246 56.287 -0.275 0.000 0.932 146 K CB -0.335 31.934 32.500 -0.385 0.000 0.715 146 K HN 0.265 nan 8.250 nan 0.000 0.437 147 L N 0.931 122.079 121.223 -0.126 0.000 2.079 147 L HA -0.182 4.158 4.340 0.001 0.000 0.210 147 L C 2.310 179.143 176.870 -0.062 0.000 1.081 147 L CA 1.075 55.870 54.840 -0.075 0.000 0.752 147 L CB -0.251 41.775 42.059 -0.055 0.000 0.896 147 L HN 0.256 nan 8.230 nan 0.000 0.433 148 L N -0.760 120.421 121.223 -0.070 0.000 2.509 148 L HA 0.139 4.479 4.340 0.001 0.000 0.222 148 L C 1.289 178.126 176.870 -0.054 0.000 1.123 148 L CA 0.450 55.260 54.840 -0.051 0.000 0.856 148 L CB -0.343 41.688 42.059 -0.048 0.000 0.985 148 L HN 0.460 nan 8.230 nan 0.000 0.456 149 G N 1.152 109.907 108.800 -0.076 0.000 2.225 149 G HA2 -0.257 3.704 3.960 0.001 0.000 0.264 149 G HA3 -0.257 3.704 3.960 0.001 0.000 0.264 149 G C 0.151 175.001 174.900 -0.084 0.000 1.060 149 G CA -0.126 44.928 45.100 -0.076 0.000 0.833 149 G HN 0.198 nan 8.290 nan 0.000 0.498 150 L N -0.479 120.682 121.223 -0.103 0.000 2.476 150 L HA 0.422 4.762 4.340 0.001 0.000 0.255 150 L C 1.525 178.282 176.870 -0.188 0.000 1.218 150 L CA -0.917 53.850 54.840 -0.120 0.000 0.819 150 L CB 0.230 42.221 42.059 -0.114 0.000 1.119 150 L HN 0.127 nan 8.230 nan 0.000 0.485 151 R N 1.600 121.927 120.500 -0.287 0.000 2.643 151 R HA 0.076 4.416 4.340 0.001 0.000 0.270 151 R C -1.569 174.446 176.300 -0.475 0.000 1.061 151 R CA -1.408 54.379 56.100 -0.521 0.000 1.107 151 R CB 0.096 29.742 30.300 -1.090 0.000 0.999 151 R HN 0.371 nan 8.270 nan 0.000 0.460 152 P HA -0.090 nan 4.420 nan 0.000 0.226 152 P C 0.420 177.667 177.300 -0.088 0.000 1.153 152 P CA 1.231 64.240 63.100 -0.152 0.000 0.777 152 P CB -0.084 31.600 31.700 -0.027 0.000 0.794 153 Y N -2.425 117.860 120.300 -0.024 0.000 2.532 153 Y HA 0.405 4.955 4.550 0.001 0.000 0.283 153 Y C 0.705 176.569 175.900 -0.060 0.000 1.181 153 Y CA -1.420 56.658 58.100 -0.036 0.000 1.256 153 Y CB -1.123 37.319 38.460 -0.030 0.000 1.112 153 Y HN -0.327 nan 8.280 nan 0.000 0.521 154 V N 2.794 122.618 119.914 -0.150 0.000 2.673 154 V HA 0.025 4.145 4.120 0.001 0.000 0.303 154 V C 0.083 176.128 176.094 -0.082 0.000 1.046 154 V CA -0.514 61.721 62.300 -0.108 0.000 1.126 154 V CB 0.553 32.302 31.823 -0.124 0.000 0.934 154 V HN 0.447 nan 8.190 nan 0.000 0.487 155 K N 7.044 127.365 120.400 -0.132 0.000 2.285 155 K HA 0.435 4.755 4.320 0.001 0.000 0.286 155 K C -0.336 176.204 176.600 -0.100 0.000 1.072 155 K CA -0.140 56.054 56.287 -0.155 0.000 0.913 155 K CB 0.829 33.184 32.500 -0.240 0.000 1.067 155 K HN 0.631 nan 8.250 nan 0.000 0.479 156 R N 2.236 122.588 120.500 -0.248 0.000 2.540 156 R HA 0.355 4.695 4.340 0.001 0.000 0.287 156 R C -0.974 174.999 176.300 -0.545 0.000 0.980 156 R CA -0.724 55.247 56.100 -0.214 0.000 0.966 156 R CB 0.960 31.193 30.300 -0.112 0.000 1.106 156 R HN 0.453 nan 8.270 nan 0.000 0.480 157 Y N 1.703 121.992 120.300 -0.018 0.000 2.402 157 Y HA 0.276 4.827 4.550 0.001 0.000 0.325 157 Y C -0.401 175.454 175.900 -0.076 0.000 1.009 157 Y CA -0.862 57.221 58.100 -0.028 0.000 1.278 157 Y CB 1.631 40.082 38.460 -0.014 0.000 1.105 157 Y HN 0.365 nan 8.280 nan 0.000 0.476 158 M N 5.354 124.930 119.600 -0.039 0.000 2.069 158 M HA 0.469 4.949 4.480 0.001 0.000 0.349 158 M C -1.507 174.686 176.300 -0.179 0.000 1.194 158 M CA -0.586 54.610 55.300 -0.173 0.000 1.081 158 M CB 0.367 32.843 32.600 -0.206 0.000 1.500 158 M HN 0.378 nan 8.290 nan 0.000 0.438 159 M N 6.392 125.873 119.600 -0.198 0.000 2.152 159 M HA 0.289 4.769 4.480 0.001 0.000 0.354 159 M C -1.429 174.784 176.300 -0.146 0.000 1.173 159 M CA -0.019 55.215 55.300 -0.111 0.000 1.110 159 M CB -0.783 31.785 32.600 -0.054 0.000 1.366 159 M HN 0.571 nan 8.290 nan 0.000 0.415 160 Y N 0.961 121.256 120.300 -0.010 0.000 2.387 160 Y HA 0.251 4.802 4.550 0.001 0.000 0.330 160 Y C 1.038 176.917 175.900 -0.035 0.000 1.133 160 Y CA -0.577 57.508 58.100 -0.025 0.000 1.152 160 Y CB 1.319 39.771 38.460 -0.014 0.000 1.215 160 Y HN 0.649 nan 8.280 nan 0.000 0.466 161 Q N 1.378 121.272 119.800 0.157 0.000 2.453 161 Q HA -0.285 4.055 4.340 0.001 0.000 0.294 161 Q C 0.244 176.236 176.000 -0.014 0.000 1.295 161 Q CA 0.812 56.642 55.803 0.043 0.000 0.853 161 Q CB -0.972 27.794 28.738 0.047 0.000 1.193 161 Q HN 0.863 nan 8.270 nan 0.000 0.461 162 Q N -1.162 118.583 119.800 -0.091 0.000 2.259 162 Q HA 0.348 4.688 4.340 0.001 0.000 0.201 162 Q C 0.929 176.641 176.000 -0.479 0.000 0.938 162 Q CA 0.841 56.506 55.803 -0.229 0.000 0.872 162 Q CB 0.612 29.201 28.738 -0.247 0.000 0.971 162 Q HN 0.704 nan 8.270 nan 0.000 0.494 166 A N 1.461 124.063 122.820 -0.364 0.000 2.209 166 A HA 0.400 4.720 4.320 0.001 0.000 0.212 166 A C 2.236 179.771 177.584 -0.081 0.000 1.158 166 A CA 1.312 53.240 52.037 -0.183 0.000 0.742 166 A CB -1.356 17.454 19.000 -0.316 0.000 0.790 166 A HN 0.620 nan 8.150 nan 0.000 0.472 167 G N -0.008 108.739 108.800 -0.089 0.000 2.422 167 G HA2 -0.001 3.959 3.960 0.001 0.000 0.218 167 G HA3 -0.001 3.959 3.960 0.001 0.000 0.218 167 G C 1.458 176.337 174.900 -0.035 0.000 1.146 167 G CA 1.140 46.211 45.100 -0.049 0.000 0.769 167 G HN 0.602 nan 8.290 nan 0.000 0.547 168 G N 0.316 109.107 108.800 -0.016 0.000 2.402 168 G HA2 -0.116 3.844 3.960 0.001 0.000 0.216 168 G HA3 -0.116 3.844 3.960 0.001 0.000 0.216 168 G C 1.857 176.752 174.900 -0.009 0.000 1.162 168 G CA 1.705 46.792 45.100 -0.021 0.000 0.777 168 G HN 0.372 nan 8.290 nan 0.000 0.539 169 T N 1.380 115.968 114.554 0.057 0.000 2.720 169 T HA -0.178 4.173 4.350 0.001 0.000 0.268 169 T C 2.668 177.354 174.700 -0.024 0.000 1.037 169 T CA 1.938 64.065 62.100 0.046 0.000 1.144 169 T CB -0.548 68.405 68.868 0.141 0.000 0.864 169 T HN 0.348 nan 8.240 nan 0.000 0.444 170 V N 0.148 120.038 119.914 -0.039 0.000 2.515 170 V HA -0.003 4.118 4.120 0.001 0.000 0.250 170 V C 2.268 178.308 176.094 -0.091 0.000 1.058 170 V CA 1.257 63.515 62.300 -0.069 0.000 1.064 170 V CB -1.167 30.616 31.823 -0.068 0.000 0.675 170 V HN 0.408 nan 8.190 nan 0.000 0.461 171 L N 0.034 121.208 121.223 -0.082 0.000 2.072 171 L HA -0.060 4.280 4.340 0.001 0.000 0.205 171 L C 2.988 179.793 176.870 -0.109 0.000 1.079 171 L CA 2.159 56.943 54.840 -0.093 0.000 0.752 171 L CB -0.591 41.417 42.059 -0.085 0.000 0.906 171 L HN 0.302 nan 8.230 nan 0.000 0.436 172 R N 0.273 120.707 120.500 -0.109 0.000 2.091 172 R HA -0.225 4.115 4.340 0.001 0.000 0.238 172 R C 2.286 178.502 176.300 -0.141 0.000 1.136 172 R CA 1.572 57.593 56.100 -0.132 0.000 0.959 172 R CB -0.246 29.976 30.300 -0.129 0.000 0.856 172 R HN 0.194 nan 8.270 nan 0.000 0.437 173 L N 0.513 121.651 121.223 -0.141 0.000 2.023 173 L HA 0.058 4.399 4.340 0.001 0.000 0.205 173 L C 2.295 179.022 176.870 -0.238 0.000 1.073 173 L CA 2.168 56.896 54.840 -0.187 0.000 0.745 173 L CB -0.903 41.044 42.059 -0.186 0.000 0.900 173 L HN 0.240 nan 8.230 nan 0.000 0.435 174 A N -0.387 122.305 122.820 -0.213 0.000 1.940 174 A HA -0.300 4.021 4.320 0.001 0.000 0.219 174 A C 2.443 179.907 177.584 -0.200 0.000 1.176 174 A CA 2.090 53.993 52.037 -0.223 0.000 0.631 174 A CB -0.720 18.178 19.000 -0.170 0.000 0.814 174 A HN 0.559 nan 8.150 nan 0.000 0.446 175 K N -0.497 119.808 120.400 -0.158 0.000 2.032 175 K HA -0.238 4.082 4.320 0.001 0.000 0.209 175 K C 1.321 177.837 176.600 -0.140 0.000 1.048 175 K CA 1.936 58.146 56.287 -0.128 0.000 0.927 175 K CB -0.249 32.185 32.500 -0.109 0.000 0.712 175 K HN 0.387 nan 8.250 nan 0.000 0.441 176 D N 0.653 120.958 120.400 -0.158 0.000 2.144 176 D HA -0.107 4.534 4.640 0.001 0.000 0.200 176 D C 2.014 178.207 176.300 -0.178 0.000 0.978 176 D CA 0.877 54.790 54.000 -0.146 0.000 0.833 176 D CB -0.041 40.679 40.800 -0.134 0.000 0.961 176 D HN 0.265 nan 8.370 nan 0.000 0.470 177 L N 0.548 121.610 121.223 -0.270 0.000 2.056 177 L HA -0.103 4.237 4.340 0.001 0.000 0.207 177 L C 2.545 179.189 176.870 -0.377 0.000 1.078 177 L CA 1.167 55.770 54.840 -0.396 0.000 0.749 177 L CB -0.478 41.212 42.059 -0.614 0.000 0.901 177 L HN -0.034 nan 8.230 nan 0.000 0.433 178 A N -0.015 122.634 122.820 -0.286 0.000 1.897 178 A HA -0.173 4.147 4.320 0.001 0.000 0.215 178 A C 2.158 179.672 177.584 -0.117 0.000 1.181 178 A CA 1.391 53.311 52.037 -0.195 0.000 0.620 178 A CB -0.356 18.555 19.000 -0.150 0.000 0.821 178 A HN 0.422 nan 8.150 nan 0.000 0.443 179 E N -0.775 119.363 120.200 -0.102 0.000 2.208 179 E HA -0.116 4.235 4.350 0.001 0.000 0.193 179 E C 1.256 177.828 176.600 -0.046 0.000 0.988 179 E CA 0.847 57.212 56.400 -0.060 0.000 0.828 179 E CB -0.070 29.599 29.700 -0.052 0.000 0.763 179 E HN 0.579 nan 8.360 nan 0.000 0.478 180 N N 0.495 119.159 118.700 -0.060 0.000 2.336 180 N HA 0.003 4.744 4.740 0.001 0.000 0.189 180 N C -0.897 174.607 175.510 -0.010 0.000 1.113 180 N CA 0.145 53.176 53.050 -0.031 0.000 0.858 180 N CB 0.486 38.953 38.487 -0.032 0.000 0.970 180 N HN -0.039 nan 8.380 nan 0.000 0.471 181 N N 0.778 119.468 118.700 -0.016 0.000 2.549 181 N HA 0.039 4.779 4.740 0.001 0.000 0.281 181 N C -1.323 174.206 175.510 0.033 0.000 1.084 181 N CA -0.430 52.638 53.050 0.029 0.000 0.862 181 N CB 1.850 40.382 38.487 0.076 0.000 1.333 181 N HN 0.127 nan 8.380 nan 0.000 0.523 182 K N 0.630 121.052 120.400 0.038 0.000 2.472 182 K HA 0.099 4.419 4.320 0.001 0.000 0.280 182 K C 1.082 177.717 176.600 0.058 0.000 1.028 182 K CA 1.204 57.514 56.287 0.039 0.000 1.045 182 K CB 0.070 32.590 32.500 0.034 0.000 0.902 182 K HN 0.753 nan 8.250 nan 0.000 0.478 183 G N 2.058 110.893 108.800 0.059 0.000 2.179 183 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 183 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 183 G C 0.168 175.131 174.900 0.105 0.000 0.977 183 G CA 0.158 45.307 45.100 0.082 0.000 0.641 183 G HN 0.949 nan 8.290 nan 0.000 0.533 184 A N 0.237 123.113 122.820 0.092 0.000 2.462 184 A HA 0.657 4.978 4.320 0.001 0.000 0.243 184 A C 0.643 178.265 177.584 0.063 0.000 1.076 184 A CA 0.360 52.470 52.037 0.123 0.000 0.773 184 A CB 0.318 19.337 19.000 0.032 0.000 1.010 184 A HN 0.381 nan 8.150 nan 0.000 0.493 185 R N 1.905 122.456 120.500 0.086 0.000 2.473 185 R HA 0.408 4.748 4.340 0.001 0.000 0.303 185 R C -1.595 174.665 176.300 -0.066 0.000 1.002 185 R CA -0.520 55.554 56.100 -0.043 0.000 0.884 185 R CB 1.443 31.734 30.300 -0.014 0.000 1.173 185 R HN 0.452 nan 8.270 nan 0.000 0.464 186 V N 4.550 124.376 119.914 -0.146 0.000 2.370 186 V HA 0.292 4.412 4.120 0.001 0.000 0.279 186 V C 0.116 176.105 176.094 -0.174 0.000 1.029 186 V CA -0.932 61.306 62.300 -0.103 0.000 0.870 186 V CB 1.504 33.238 31.823 -0.149 0.000 0.984 186 V HN 0.471 nan 8.190 nan 0.000 0.451 187 L N 7.304 128.452 121.223 -0.126 0.000 2.281 187 L HA 0.549 4.889 4.340 0.001 0.000 0.285 187 L C -0.280 176.536 176.870 -0.090 0.000 1.074 187 L CA 0.446 55.203 54.840 -0.138 0.000 0.817 187 L CB 1.267 43.261 42.059 -0.107 0.000 1.168 187 L HN 0.455 nan 8.230 nan 0.000 0.434 188 V N 6.118 125.970 119.914 -0.104 0.000 2.417 188 V HA 0.559 4.680 4.120 0.001 0.000 0.291 188 V C -0.472 175.577 176.094 -0.075 0.000 1.024 188 V CA -0.624 61.626 62.300 -0.084 0.000 0.861 188 V CB 1.740 33.506 31.823 -0.094 0.000 0.985 188 V HN 0.522 nan 8.190 nan 0.000 0.436 189 V N 3.915 123.792 119.914 -0.062 0.000 2.525 189 V HA 0.377 4.498 4.120 0.001 0.000 0.299 189 V C -0.420 175.643 176.094 -0.051 0.000 1.034 189 V CA -0.430 61.836 62.300 -0.057 0.000 0.863 189 V CB 1.838 33.629 31.823 -0.053 0.000 0.999 189 V HN 0.961 nan 8.190 nan 0.000 0.423 190 C N 3.525 122.802 119.300 -0.038 0.000 2.281 190 C HA 0.750 5.211 4.460 0.001 0.000 0.325 190 C C 0.556 175.543 174.990 -0.006 0.000 1.282 190 C CA -0.349 58.651 59.018 -0.029 0.000 1.640 190 C CB 0.805 28.535 27.740 -0.017 0.000 2.288 190 C HN 0.859 nan 8.230 nan 0.000 0.507 191 S N 3.191 118.880 115.700 -0.018 0.000 2.733 191 S HA 0.489 4.960 4.470 0.001 0.000 0.294 191 S C -1.183 173.407 174.600 -0.015 0.000 1.149 191 S CA -0.329 57.869 58.200 -0.002 0.000 1.034 191 S CB 0.388 63.583 63.200 -0.009 0.000 1.015 191 S HN 0.756 nan 8.310 nan 0.000 0.486 192 E N 3.022 123.216 120.200 -0.010 0.000 2.199 192 E HA 0.495 4.845 4.350 0.001 0.000 0.265 192 E C -1.217 175.370 176.600 -0.022 0.000 0.882 192 E CA -0.645 55.732 56.400 -0.037 0.000 0.759 192 E CB 2.085 31.748 29.700 -0.061 0.000 1.148 192 E HN 0.408 nan 8.360 nan 0.000 0.412 193 V N 2.145 122.037 119.914 -0.036 0.000 2.525 193 V HA 0.163 4.284 4.120 0.001 0.000 0.299 193 V C 1.062 177.152 176.094 -0.007 0.000 1.034 193 V CA -0.641 61.649 62.300 -0.016 0.000 0.863 193 V CB 1.740 33.517 31.823 -0.077 0.000 0.999 193 V HN 0.825 nan 8.190 nan 0.000 0.423 194 T N 0.472 115.058 114.554 0.053 0.000 3.194 194 T HA 0.067 4.417 4.350 0.001 0.000 0.251 194 T C 1.608 176.398 174.700 0.151 0.000 1.132 194 T CA 0.719 62.874 62.100 0.091 0.000 1.028 194 T CB 0.207 69.175 68.868 0.168 0.000 0.976 194 T HN 0.745 nan 8.240 nan 0.000 0.535 195 A N 1.788 124.679 122.820 0.118 0.000 2.019 195 A HA 0.068 4.388 4.320 0.001 0.000 0.219 195 A C 2.502 180.154 177.584 0.113 0.000 1.164 195 A CA 1.519 53.639 52.037 0.139 0.000 0.644 195 A CB -0.876 18.180 19.000 0.095 0.000 0.805 195 A HN 0.798 nan 8.150 nan 0.000 0.449 196 V N -2.560 117.388 119.914 0.056 0.000 2.951 196 V HA -0.050 4.071 4.120 0.001 0.000 0.255 196 V C 1.937 178.066 176.094 0.059 0.000 1.088 196 V CA 2.092 64.415 62.300 0.039 0.000 1.109 196 V CB -1.191 30.627 31.823 -0.008 0.000 0.724 196 V HN 0.614 nan 8.190 nan 0.000 0.471 197 T N -3.625 110.983 114.554 0.088 0.000 2.990 197 T HA 0.276 4.627 4.350 0.001 0.000 0.250 197 T C 0.507 175.305 174.700 0.164 0.000 1.041 197 T CA -0.222 61.934 62.100 0.095 0.000 1.010 197 T CB -0.436 68.469 68.868 0.061 0.000 1.003 197 T HN 0.391 nan 8.240 nan 0.000 0.499 198 F N 4.587 124.598 119.950 0.102 0.000 2.607 198 F HA 0.361 4.889 4.527 0.000 0.000 0.374 198 F C 0.642 176.514 175.800 0.120 0.000 1.104 198 F CA -0.308 57.781 58.000 0.148 0.000 1.296 198 F CB 0.473 39.579 39.000 0.176 0.000 1.085 198 F HN 0.305 nan 8.300 nan 0.000 0.584 199 R N 4.017 124.250 120.500 -0.444 0.000 2.712 199 R HA 0.581 4.921 4.340 0.001 0.000 0.272 199 R C -0.716 175.409 176.300 -0.292 0.000 1.032 199 R CA -0.851 55.126 56.100 -0.205 0.000 0.874 199 R CB 0.358 30.593 30.300 -0.109 0.000 1.256 199 R HN 0.803 nan 8.270 nan 0.000 0.468 200 G N 0.930 109.640 108.800 -0.149 0.000 2.667 200 G HA2 0.430 4.391 3.960 0.001 0.000 0.250 200 G HA3 0.430 4.391 3.960 0.001 0.000 0.250 200 G C -2.250 172.601 174.900 -0.082 0.000 1.212 200 G CA -1.076 43.879 45.100 -0.242 0.000 0.874 200 G HN 0.524 nan 8.290 nan 0.000 0.561 201 P HA 0.362 nan 4.420 nan 0.000 0.284 201 P C -0.839 176.346 177.300 -0.191 0.000 1.258 201 P CA -0.410 62.566 63.100 -0.207 0.000 0.824 201 P CB 1.984 33.409 31.700 -0.458 0.000 1.038 202 S N 0.510 116.082 115.700 -0.213 0.000 2.572 202 S HA 0.290 4.760 4.470 0.001 0.000 0.274 202 S C 0.509 175.035 174.600 -0.124 0.000 1.150 202 S CA -0.609 57.445 58.200 -0.244 0.000 0.944 202 S CB 0.595 63.431 63.200 -0.608 0.000 1.071 202 S HN 0.478 nan 8.310 nan 0.000 0.479 203 D N 2.824 123.178 120.400 -0.075 0.000 2.371 203 D HA -0.065 4.576 4.640 0.001 0.000 0.221 203 D C 1.293 177.534 176.300 -0.097 0.000 0.986 203 D CA 1.237 55.208 54.000 -0.048 0.000 0.899 203 D CB -0.457 40.330 40.800 -0.022 0.000 0.902 203 D HN 0.532 nan 8.370 nan 0.000 0.530 204 T N -3.710 110.728 114.554 -0.194 0.000 3.069 204 T HA 0.078 4.428 4.350 0.001 0.000 0.252 204 T C 0.403 174.758 174.700 -0.575 0.000 1.053 204 T CA -0.290 61.597 62.100 -0.355 0.000 0.964 204 T CB -0.227 68.393 68.868 -0.413 0.000 1.005 204 T HN 0.240 nan 8.240 nan 0.000 0.532 205 H N 0.990 119.992 119.070 -0.113 0.000 2.511 205 H HA 0.380 4.936 4.556 0.001 0.000 0.228 205 H C 0.732 176.064 175.328 0.007 0.000 1.424 205 H CA -0.450 55.566 56.048 -0.053 0.000 1.321 205 H CB 0.368 30.035 29.762 -0.159 0.000 1.720 205 H HN 0.209 nan 8.280 nan 0.000 0.512 206 L N 0.340 121.615 121.223 0.088 0.000 2.201 206 L HA -0.162 4.178 4.340 0.001 0.000 0.212 206 L C 2.244 179.199 176.870 0.141 0.000 1.105 206 L CA 1.142 56.045 54.840 0.105 0.000 0.775 206 L CB -0.077 42.024 42.059 0.070 0.000 0.913 206 L HN 0.377 nan 8.230 nan 0.000 0.440 207 D N -0.960 119.526 120.400 0.144 0.000 2.117 207 D HA -0.221 4.419 4.640 0.001 0.000 0.197 207 D C 2.170 178.615 176.300 0.242 0.000 0.987 207 D CA 1.524 55.608 54.000 0.141 0.000 0.829 207 D CB -0.438 40.402 40.800 0.067 0.000 0.961 207 D HN 0.150 nan 8.370 nan 0.000 0.460 208 S N -0.425 115.443 115.700 0.280 0.000 2.382 208 S HA -0.133 4.337 4.470 0.001 0.000 0.228 208 S C 1.917 176.686 174.600 0.282 0.000 1.027 208 S CA 0.712 59.128 58.200 0.359 0.000 0.991 208 S CB -0.503 62.934 63.200 0.395 0.000 0.823 208 S HN 0.226 nan 8.310 nan 0.000 0.469 209 L N 1.750 123.100 121.223 0.212 0.000 2.083 209 L HA -0.003 4.337 4.340 0.001 0.000 0.209 209 L C 2.335 179.325 176.870 0.199 0.000 1.083 209 L CA 1.553 56.488 54.840 0.158 0.000 0.752 209 L CB -0.817 41.348 42.059 0.176 0.000 0.899 209 L HN 0.227 nan 8.230 nan 0.000 0.433 210 V N 0.002 120.032 119.914 0.193 0.000 2.324 210 V HA -0.285 3.836 4.120 0.001 0.000 0.250 210 V C 2.614 178.673 176.094 -0.059 0.000 1.060 210 V CA 1.884 64.254 62.300 0.117 0.000 1.042 210 V CB -1.657 30.255 31.823 0.149 0.000 0.650 210 V HN 0.647 nan 8.190 nan 0.000 0.450 211 G N -0.862 107.863 108.800 -0.124 0.000 2.442 211 G HA2 -0.262 3.698 3.960 0.001 0.000 0.219 211 G HA3 -0.262 3.698 3.960 0.001 0.000 0.219 211 G C 1.435 176.066 174.900 -0.448 0.000 1.141 211 G CA 0.623 45.282 45.100 -0.735 0.000 0.763 211 G HN 0.498 nan 8.290 nan 0.000 0.554 212 Q N 0.309 120.034 119.800 -0.126 0.000 2.224 212 Q HA 0.101 4.442 4.340 0.001 0.000 0.203 212 Q C 2.735 178.798 176.000 0.106 0.000 0.970 212 Q CA 1.153 56.915 55.803 -0.068 0.000 0.865 212 Q CB -0.398 28.130 28.738 -0.351 0.000 0.922 212 Q HN 0.506 nan 8.270 nan 0.000 0.445 213 A N -0.088 122.797 122.820 0.108 0.000 2.021 213 A HA 0.059 4.379 4.320 0.001 0.000 0.216 213 A C 1.986 179.467 177.584 -0.172 0.000 1.163 213 A CA 0.542 52.550 52.037 -0.049 0.000 0.676 213 A CB -0.071 18.820 19.000 -0.181 0.000 0.818 213 A HN 0.274 nan 8.150 nan 0.000 0.453 214 L N -2.258 118.801 121.223 -0.273 0.000 2.388 214 L HA 0.284 4.624 4.340 0.001 0.000 0.209 214 L C 0.099 176.858 176.870 -0.186 0.000 1.061 214 L CA -0.212 54.451 54.840 -0.295 0.000 0.834 214 L CB -0.134 41.663 42.059 -0.436 0.000 1.029 214 L HN 0.249 nan 8.230 nan 0.000 0.473 215 F N 0.696 120.585 119.950 -0.102 0.000 2.443 215 F HA 0.441 4.968 4.527 0.001 0.000 0.353 215 F C 0.966 176.734 175.800 -0.054 0.000 1.101 215 F CA -0.611 57.338 58.000 -0.086 0.000 1.226 215 F CB 0.859 39.788 39.000 -0.119 0.000 1.140 215 F HN -0.115 nan 8.300 nan 0.000 0.557 216 G N 1.762 110.664 108.800 0.170 0.000 2.730 216 G HA2 0.488 4.448 3.960 0.001 0.000 0.289 216 G HA3 0.488 4.448 3.960 0.001 0.000 0.289 216 G C -1.954 172.997 174.900 0.085 0.000 1.341 216 G CA -0.773 44.385 45.100 0.097 0.000 0.932 216 G HN 0.403 nan 8.290 nan 0.000 0.481 217 D N -0.862 119.601 120.400 0.105 0.000 2.181 217 D HA 0.715 5.355 4.640 0.001 0.000 0.248 217 D C 0.433 176.775 176.300 0.070 0.000 1.020 217 D CA 0.332 54.387 54.000 0.090 0.000 0.891 217 D CB 1.791 42.672 40.800 0.134 0.000 1.187 217 D HN 0.850 nan 8.370 nan 0.000 0.443 218 G N -1.086 107.738 108.800 0.040 0.000 2.355 218 G HA2 0.603 4.563 3.960 0.001 0.000 0.296 218 G HA3 0.603 4.563 3.960 0.001 0.000 0.296 218 G C -1.956 173.025 174.900 0.136 0.000 1.507 218 G CA -0.369 44.772 45.100 0.068 0.000 0.823 218 G HN 0.582 nan 8.290 nan 0.000 0.569 219 A N -0.811 122.151 122.820 0.236 0.000 2.475 219 A HA 1.086 5.406 4.320 0.001 0.000 0.301 219 A C -0.144 177.510 177.584 0.117 0.000 1.059 219 A CA 0.128 52.257 52.037 0.154 0.000 0.710 219 A CB 1.733 20.765 19.000 0.053 0.000 1.288 219 A HN 2.503 nan 8.150 nan 0.000 0.408 220 A N 0.434 123.273 122.820 0.032 0.000 2.414 220 A HA 0.930 5.250 4.320 0.001 0.000 0.306 220 A C -0.314 177.209 177.584 -0.101 0.000 1.054 220 A CA 0.044 51.994 52.037 -0.146 0.000 0.724 220 A CB 1.465 20.377 19.000 -0.147 0.000 1.267 220 A HN 2.458 nan 8.150 nan 0.000 0.418 221 A N 1.596 124.337 122.820 -0.131 0.000 2.401 221 A HA 0.843 5.163 4.320 0.001 0.000 0.310 221 A C -0.998 176.520 177.584 -0.109 0.000 1.075 221 A CA -0.451 51.525 52.037 -0.102 0.000 0.746 221 A CB 0.953 19.899 19.000 -0.089 0.000 1.277 221 A HN 0.913 nan 8.150 nan 0.000 0.425 222 L N 1.901 123.059 121.223 -0.110 0.000 2.354 222 L HA 0.613 4.953 4.340 0.001 0.000 0.264 222 L C -0.931 175.830 176.870 -0.182 0.000 1.008 222 L CA -0.878 53.889 54.840 -0.122 0.000 0.819 222 L CB 1.855 43.852 42.059 -0.103 0.000 1.339 222 L HN 0.458 nan 8.230 nan 0.000 0.420 223 I N 2.427 122.851 120.570 -0.243 0.000 2.378 223 I HA 0.451 4.622 4.170 0.001 0.000 0.291 223 I C -0.356 175.569 176.117 -0.319 0.000 0.992 223 I CA -0.505 60.541 61.300 -0.423 0.000 1.154 223 I CB 1.914 39.414 38.000 -0.834 0.000 1.315 223 I HN 0.199 nan 8.210 nan 0.000 0.448 224 V N 5.081 124.828 119.914 -0.279 0.000 2.540 224 V HA 0.925 5.046 4.120 0.001 0.000 0.302 224 V C 0.267 176.255 176.094 -0.177 0.000 1.035 224 V CA -0.412 61.778 62.300 -0.184 0.000 0.873 224 V CB 1.959 33.695 31.823 -0.146 0.000 0.992 224 V HN 0.967 nan 8.190 nan 0.000 0.428 225 G N 2.146 110.878 108.800 -0.114 0.000 2.720 225 G HA2 0.579 4.539 3.960 0.001 0.000 0.295 225 G HA3 0.579 4.539 3.960 0.001 0.000 0.295 225 G C -1.102 173.779 174.900 -0.032 0.000 1.437 225 G CA -0.457 44.601 45.100 -0.070 0.000 0.886 225 G HN 0.574 nan 8.290 nan 0.000 0.509 226 S N 0.165 115.851 115.700 -0.022 0.000 2.672 226 S HA 0.524 4.995 4.470 0.001 0.000 0.276 226 S C -0.413 174.197 174.600 0.017 0.000 1.207 226 S CA -0.297 57.900 58.200 -0.005 0.000 1.002 226 S CB 0.938 64.131 63.200 -0.012 0.000 0.998 226 S HN 0.701 nan 8.310 nan 0.000 0.542 227 D N 0.895 121.306 120.400 0.019 0.000 2.828 227 D HA -0.091 4.549 4.640 0.001 0.000 0.241 227 D C -2.593 173.730 176.300 0.039 0.000 1.142 227 D CA 0.143 54.159 54.000 0.026 0.000 0.755 227 D CB -1.556 39.260 40.800 0.026 0.000 1.014 227 D HN 0.236 nan 8.370 nan 0.000 0.420 228 P HA 0.093 nan 4.420 nan 0.000 0.268 228 P C 0.189 177.516 177.300 0.045 0.000 1.205 228 P CA -0.494 62.641 63.100 0.058 0.000 0.771 228 P CB 0.749 32.478 31.700 0.048 0.000 0.858 229 V N 5.994 125.939 119.914 0.052 0.000 2.439 229 V HA 0.112 4.232 4.120 0.001 0.000 0.271 229 V C -1.884 174.219 176.094 0.015 0.000 1.040 229 V CA -1.334 60.983 62.300 0.027 0.000 1.002 229 V CB 0.097 31.932 31.823 0.019 0.000 1.000 229 V HN 0.551 nan 8.190 nan 0.000 0.477 230 P HA 0.136 nan 4.420 nan 0.000 0.264 230 P C 0.462 177.757 177.300 -0.007 0.000 1.193 230 P CA 0.315 63.415 63.100 -0.000 0.000 0.763 230 P CB 0.291 31.990 31.700 -0.002 0.000 0.810 231 E N 0.749 120.943 120.200 -0.011 0.000 3.799 231 E HA -0.247 4.103 4.350 0.001 0.000 0.320 231 E C 0.493 177.080 176.600 -0.023 0.000 0.760 231 E CA 0.749 57.138 56.400 -0.017 0.000 1.153 231 E CB -1.710 27.979 29.700 -0.018 0.000 1.589 231 E HN 0.368 nan 8.360 nan 0.000 0.448 232 I N -0.089 120.467 120.570 -0.023 0.000 3.570 232 I HA 0.126 4.297 4.170 0.001 0.000 0.270 232 I C 0.809 176.904 176.117 -0.037 0.000 1.162 232 I CA 0.464 61.739 61.300 -0.042 0.000 1.413 232 I CB 0.304 38.274 38.000 -0.049 0.000 1.437 232 I HN -0.020 nan 8.210 nan 0.000 0.457 233 E N 1.490 121.693 120.200 0.005 0.000 2.250 233 E HA 0.365 4.715 4.350 0.001 0.000 0.269 233 E C -0.321 176.308 176.600 0.049 0.000 1.018 233 E CA -0.617 55.823 56.400 0.066 0.000 0.873 233 E CB 1.553 31.342 29.700 0.148 0.000 1.134 233 E HN -0.062 nan 8.360 nan 0.000 0.403 234 K N 2.863 123.302 120.400 0.066 0.000 2.621 234 K HA 0.313 4.633 4.320 0.001 0.000 0.233 234 K C -2.724 173.877 176.600 0.001 0.000 0.972 234 K CA -2.087 54.210 56.287 0.017 0.000 0.988 234 K CB 1.151 33.653 32.500 0.002 0.000 1.187 234 K HN 0.161 nan 8.250 nan 0.000 0.471 235 P HA 0.007 nan 4.420 nan 0.000 0.265 235 P C -0.077 177.155 177.300 -0.114 0.000 1.187 235 P CA 0.222 63.295 63.100 -0.045 0.000 0.766 235 P CB 0.725 32.398 31.700 -0.045 0.000 0.820 236 I N 0.383 120.863 120.570 -0.151 0.000 3.570 236 I HA 0.208 4.378 4.170 0.001 0.000 0.270 236 I C 0.230 175.973 176.117 -0.623 0.000 1.162 236 I CA 0.472 61.559 61.300 -0.355 0.000 1.413 236 I CB 0.205 38.048 38.000 -0.263 0.000 1.437 236 I HN 0.187 nan 8.210 nan 0.000 0.457 237 F N 0.359 120.290 119.950 -0.033 0.000 2.613 237 F HA 0.434 4.961 4.527 0.001 0.000 0.310 237 F C -0.512 175.283 175.800 -0.009 0.000 1.085 237 F CA -0.770 57.225 58.000 -0.008 0.000 0.945 237 F CB 1.854 40.875 39.000 0.035 0.000 1.298 237 F HN -0.220 nan 8.300 nan 0.000 0.455 238 E N 2.302 122.624 120.200 0.203 0.000 2.195 238 E HA 0.527 4.877 4.350 0.001 0.000 0.271 238 E C -1.027 175.641 176.600 0.113 0.000 0.923 238 E CA -0.871 55.591 56.400 0.103 0.000 0.790 238 E CB 2.315 32.039 29.700 0.040 0.000 1.155 238 E HN 0.456 nan 8.360 nan 0.000 0.402 239 M N 2.275 121.919 119.600 0.074 0.000 2.233 239 M HA 0.211 4.691 4.480 0.001 0.000 0.355 239 M C 0.260 176.614 176.300 0.091 0.000 1.191 239 M CA -0.243 55.095 55.300 0.063 0.000 1.101 239 M CB 1.545 34.151 32.600 0.011 0.000 1.592 239 M HN 0.388 nan 8.290 nan 0.000 0.461 240 V N 1.599 121.600 119.914 0.144 0.000 3.371 240 V HA 0.229 4.349 4.120 0.001 0.000 0.246 240 V C -0.592 175.638 176.094 0.226 0.000 1.303 240 V CA 0.179 62.597 62.300 0.197 0.000 1.156 240 V CB 0.650 32.676 31.823 0.339 0.000 0.929 240 V HN 0.913 nan 8.190 nan 0.000 0.459 241 W N 0.185 121.445 121.300 -0.067 0.000 3.419 241 W HA 0.546 5.206 4.660 0.001 0.000 0.298 241 W C -1.047 175.386 176.519 -0.142 0.000 1.260 241 W CA 0.025 57.301 57.345 -0.115 0.000 1.199 241 W CB 1.476 30.835 29.460 -0.168 0.000 1.349 241 W HN 0.016 nan 8.180 nan 0.000 0.557 242 T N 1.492 115.651 114.554 -0.659 0.000 2.896 242 T HA 0.926 5.276 4.350 0.001 0.000 0.297 242 T C -0.974 173.030 174.700 -1.159 0.000 1.108 242 T CA -0.398 61.319 62.100 -0.639 0.000 1.004 242 T CB 1.677 70.326 68.868 -0.365 0.000 1.159 242 T HN 1.334 nan 8.240 nan 0.000 0.499 243 A N 1.017 123.412 122.820 -0.709 0.000 2.606 243 A HA 0.834 5.155 4.320 0.001 0.000 0.293 243 A C -1.373 176.066 177.584 -0.242 0.000 1.082 243 A CA -0.854 50.862 52.037 -0.536 0.000 0.685 243 A CB 2.094 20.830 19.000 -0.439 0.000 1.284 243 A HN 0.996 nan 8.150 nan 0.000 0.408 244 Q N 0.370 120.061 119.800 -0.183 0.000 2.289 244 Q HA 0.667 5.007 4.340 0.001 0.000 0.270 244 Q C -1.461 174.475 176.000 -0.108 0.000 1.038 244 Q CA -0.298 55.419 55.803 -0.143 0.000 0.812 244 Q CB 2.367 30.998 28.738 -0.178 0.000 1.300 244 Q HN 0.893 nan 8.270 nan 0.000 0.427 245 T N 2.852 117.356 114.554 -0.084 0.000 2.843 245 T HA 0.605 4.956 4.350 0.001 0.000 0.302 245 T C -1.353 173.310 174.700 -0.062 0.000 1.232 245 T CA -0.454 61.613 62.100 -0.054 0.000 1.009 245 T CB 1.093 69.959 68.868 -0.003 0.000 1.254 245 T HN 0.539 nan 8.240 nan 0.000 0.504 246 I N 2.813 123.357 120.570 -0.044 0.000 2.339 246 I HA 0.570 4.740 4.170 0.001 0.000 0.290 246 I C 0.685 176.798 176.117 -0.007 0.000 0.994 246 I CA -0.906 60.374 61.300 -0.032 0.000 1.191 246 I CB 1.503 39.485 38.000 -0.030 0.000 1.343 246 I HN 0.754 nan 8.210 nan 0.000 0.458 247 A N 9.181 132.003 122.820 0.004 0.000 2.425 247 A HA 0.499 4.820 4.320 0.001 0.000 0.249 247 A C -2.256 175.332 177.584 0.006 0.000 1.084 247 A CA -1.047 50.995 52.037 0.007 0.000 0.781 247 A CB -0.383 18.622 19.000 0.007 0.000 1.019 247 A HN 0.443 nan 8.150 nan 0.000 0.490 248 P HA 0.135 nan 4.420 nan 0.000 0.272 248 P C -0.704 176.599 177.300 0.004 0.000 1.230 248 P CA 0.051 63.154 63.100 0.005 0.000 0.788 248 P CB 0.343 32.047 31.700 0.006 0.000 0.949 249 D N -0.520 119.883 120.400 0.005 0.000 2.751 249 D HA -0.129 4.511 4.640 0.001 0.000 0.233 249 D C 0.373 176.676 176.300 0.006 0.000 1.149 249 D CA 1.512 55.515 54.000 0.005 0.000 0.682 249 D CB -1.794 39.007 40.800 0.002 0.000 1.068 249 D HN 0.563 nan 8.370 nan 0.000 0.429 250 S N -1.625 114.081 115.700 0.010 0.000 2.819 250 S HA 0.116 4.586 4.470 0.001 0.000 0.249 250 S C 0.297 174.911 174.600 0.022 0.000 1.030 250 S CA -0.543 57.666 58.200 0.015 0.000 1.052 250 S CB 0.965 64.175 63.200 0.017 0.000 1.017 250 S HN 0.255 nan 8.310 nan 0.000 0.576 251 E N 1.446 121.658 120.200 0.020 0.000 2.480 251 E HA 0.370 4.721 4.350 0.001 0.000 0.258 251 E C 1.194 177.811 176.600 0.028 0.000 0.984 251 E CA 1.094 57.510 56.400 0.026 0.000 0.930 251 E CB -0.277 29.436 29.700 0.022 0.000 0.936 251 E HN 0.663 nan 8.360 nan 0.000 0.466 252 G N 2.993 111.816 108.800 0.039 0.000 2.148 252 G HA2 -0.383 3.577 3.960 0.001 0.000 0.254 252 G HA3 -0.383 3.577 3.960 0.001 0.000 0.254 252 G C 0.882 175.799 174.900 0.029 0.000 0.981 252 G CA 0.594 45.718 45.100 0.039 0.000 0.670 252 G HN 0.766 nan 8.290 nan 0.000 0.528 253 A N -0.698 122.141 122.820 0.032 0.000 1.883 253 A HA 0.400 4.721 4.320 0.001 0.000 0.217 253 A C 1.195 178.788 177.584 0.015 0.000 1.186 253 A CA 1.625 53.677 52.037 0.025 0.000 0.624 253 A CB -0.020 19.001 19.000 0.036 0.000 0.822 253 A HN 1.028 nan 8.150 nan 0.000 0.444 254 I N 0.405 120.996 120.570 0.036 0.000 2.468 254 I HA 0.338 4.508 4.170 0.001 0.000 0.284 254 I C -1.827 174.302 176.117 0.019 0.000 1.038 254 I CA -0.642 60.666 61.300 0.014 0.000 1.083 254 I CB 2.019 40.093 38.000 0.123 0.000 1.223 254 I HN 0.009 nan 8.210 nan 0.000 0.443 255 D N 5.434 125.807 120.400 -0.045 0.000 2.575 255 D HA 0.786 5.426 4.640 0.001 0.000 0.236 255 D C -0.794 175.385 176.300 -0.202 0.000 1.075 255 D CA -0.402 53.553 54.000 -0.075 0.000 0.860 255 D CB 2.624 43.407 40.800 -0.029 0.000 1.475 255 D HN 0.569 nan 8.370 nan 0.000 0.474 256 A N 1.904 124.550 122.820 -0.291 0.000 2.442 256 A HA 0.514 4.835 4.320 0.001 0.000 0.284 256 A C -1.352 176.059 177.584 -0.288 0.000 1.058 256 A CA -0.778 51.109 52.037 -0.249 0.000 0.738 256 A CB 0.932 19.933 19.000 0.001 0.000 1.242 256 A HN 0.519 nan 8.150 nan 0.000 0.421 257 H N 2.008 121.124 119.070 0.077 0.000 2.469 257 H HA 0.464 5.021 4.556 0.001 0.000 0.342 257 H C -0.991 174.353 175.328 0.027 0.000 1.115 257 H CA -0.800 55.285 56.048 0.061 0.000 1.204 257 H CB 1.980 31.795 29.762 0.087 0.000 1.492 257 H HN 0.529 nan 8.280 nan 0.000 0.499 258 L N 4.576 125.876 121.223 0.129 0.000 2.268 258 L HA 0.269 4.609 4.340 0.001 0.000 0.289 258 L C -0.170 176.728 176.870 0.047 0.000 1.064 258 L CA -0.160 54.712 54.840 0.054 0.000 0.824 258 L CB -0.242 41.826 42.059 0.014 0.000 1.202 258 L HN 0.440 nan 8.230 nan 0.000 0.433 259 R N 2.890 123.411 120.500 0.035 0.000 3.029 259 R HA 0.353 4.693 4.340 0.001 0.000 0.239 259 R C 0.751 177.052 176.300 0.000 0.000 1.351 259 R CA -0.734 55.379 56.100 0.021 0.000 1.052 259 R CB 0.463 30.781 30.300 0.030 0.000 1.354 259 R HN 0.541 nan 8.270 nan 0.000 0.499 260 E N 0.705 120.902 120.200 -0.004 0.000 2.265 260 E HA -0.098 4.253 4.350 0.001 0.000 0.196 260 E C 0.807 177.399 176.600 -0.013 0.000 0.996 260 E CA 1.484 57.879 56.400 -0.009 0.000 0.832 260 E CB 0.102 29.797 29.700 -0.008 0.000 0.756 260 E HN 0.545 nan 8.360 nan 0.000 0.491 261 A N 0.718 123.525 122.820 -0.023 0.000 2.415 261 A HA 0.459 4.779 4.320 0.001 0.000 0.248 261 A C 0.844 178.407 177.584 -0.035 0.000 1.299 261 A CA 0.530 52.544 52.037 -0.039 0.000 0.899 261 A CB -0.189 18.763 19.000 -0.080 0.000 0.997 261 A HN 0.253 nan 8.150 nan 0.000 0.506 262 G N -0.957 107.833 108.800 -0.017 0.000 2.587 262 G HA2 0.050 4.010 3.960 0.001 0.000 0.212 262 G HA3 0.050 4.010 3.960 0.001 0.000 0.212 262 G C -0.579 174.315 174.900 -0.009 0.000 1.327 262 G CA -0.258 44.837 45.100 -0.008 0.000 0.898 262 G HN 1.119 nan 8.290 nan 0.000 0.551 263 L N 1.799 123.020 121.223 -0.005 0.000 2.260 263 L HA 0.652 4.992 4.340 0.001 0.000 0.289 263 L C 1.416 178.280 176.870 -0.011 0.000 1.057 263 L CA 0.605 55.443 54.840 -0.003 0.000 0.811 263 L CB 0.541 42.593 42.059 -0.012 0.000 1.184 263 L HN 1.239 nan 8.230 nan 0.000 0.429 264 T N 1.809 116.344 114.554 -0.032 0.000 2.874 264 T HA 0.547 4.897 4.350 0.001 0.000 0.281 264 T C -0.485 174.146 174.700 -0.115 0.000 0.994 264 T CA -0.514 61.517 62.100 -0.115 0.000 1.015 264 T CB 1.154 69.931 68.868 -0.151 0.000 1.028 264 T HN 0.403 nan 8.240 nan 0.000 0.523 265 F N 1.766 121.483 119.950 -0.388 0.000 2.557 265 F HA 0.499 5.026 4.527 0.001 0.000 0.316 265 F C -1.048 174.536 175.800 -0.361 0.000 1.141 265 F CA -0.803 57.050 58.000 -0.244 0.000 0.922 265 F CB 1.396 40.426 39.000 0.050 0.000 1.194 265 F HN 0.726 nan 8.300 nan 0.000 0.443 266 H N 6.659 125.422 119.070 -0.512 0.000 2.768 266 H HA 0.584 5.140 4.556 0.001 0.000 0.371 266 H C -1.266 173.742 175.328 -0.535 0.000 1.151 266 H CA -0.934 54.883 56.048 -0.386 0.000 1.165 266 H CB 2.654 32.341 29.762 -0.125 0.000 1.722 266 H HN 0.604 nan 8.280 nan 0.000 0.543 267 L N 3.440 124.531 121.223 -0.219 0.000 2.372 267 L HA 0.289 4.630 4.340 0.001 0.000 0.273 267 L C 0.686 177.533 176.870 -0.038 0.000 0.989 267 L CA -0.235 54.511 54.840 -0.156 0.000 0.841 267 L CB 1.632 43.607 42.059 -0.141 0.000 1.225 267 L HN 0.441 nan 8.230 nan 0.000 0.414 268 L N 1.653 122.864 121.223 -0.020 0.000 2.693 268 L HA 0.346 4.687 4.340 0.001 0.000 0.235 268 L C 0.412 177.281 176.870 -0.001 0.000 1.127 268 L CA 0.248 55.085 54.840 -0.004 0.000 0.914 268 L CB 0.171 42.230 42.059 -0.000 0.000 1.193 268 L HN 0.563 nan 8.230 nan 0.000 0.502 269 K N -0.463 119.937 120.400 -0.000 0.000 2.469 269 K HA 0.234 4.554 4.320 0.001 0.000 0.268 269 K C -1.148 175.453 176.600 0.003 0.000 1.027 269 K CA -0.886 55.402 56.287 0.002 0.000 0.893 269 K CB 2.001 34.504 32.500 0.005 0.000 1.460 269 K HN -0.305 nan 8.250 nan 0.000 0.449 270 D N 1.772 122.171 120.400 -0.002 0.000 2.416 270 D HA 0.063 4.704 4.640 0.001 0.000 0.240 270 D C 0.678 176.971 176.300 -0.012 0.000 1.250 270 D CA 0.101 54.097 54.000 -0.006 0.000 0.967 270 D CB 0.544 41.337 40.800 -0.011 0.000 1.059 270 D HN 0.261 nan 8.370 nan 0.000 0.512 271 V N 5.586 125.499 119.914 -0.002 0.000 2.295 271 V HA -0.140 3.980 4.120 0.001 0.000 0.246 271 V C -0.698 175.360 176.094 -0.059 0.000 1.049 271 V CA 1.453 63.747 62.300 -0.009 0.000 1.024 271 V CB -1.111 30.736 31.823 0.039 0.000 0.648 271 V HN 0.506 nan 8.190 nan 0.000 0.447 272 P HA -0.118 nan 4.420 nan 0.000 0.216 272 P C 1.708 178.951 177.300 -0.095 0.000 1.150 272 P CA 1.867 64.913 63.100 -0.091 0.000 0.837 272 P CB -0.307 31.359 31.700 -0.056 0.000 0.786 273 G N -0.346 108.417 108.800 -0.062 0.000 2.404 273 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 273 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 273 G C 1.533 176.395 174.900 -0.063 0.000 1.174 273 G CA 0.520 45.588 45.100 -0.054 0.000 0.780 273 G HN 0.222 nan 8.290 nan 0.000 0.537 274 I N 0.371 120.904 120.570 -0.061 0.000 2.179 274 I HA -0.162 4.008 4.170 0.001 0.000 0.242 274 I C 2.792 178.849 176.117 -0.099 0.000 1.088 274 I CA 0.527 61.792 61.300 -0.059 0.000 1.357 274 I CB -0.276 37.701 38.000 -0.038 0.000 1.051 274 I HN 0.025 nan 8.210 nan 0.000 0.409 275 V N 0.158 119.969 119.914 -0.171 0.000 2.295 275 V HA -0.280 3.840 4.120 0.001 0.000 0.246 275 V C 2.529 178.489 176.094 -0.224 0.000 1.049 275 V CA 2.240 64.363 62.300 -0.295 0.000 1.024 275 V CB -0.641 30.821 31.823 -0.601 0.000 0.648 275 V HN 0.377 nan 8.190 nan 0.000 0.447 276 S N -0.694 114.902 115.700 -0.174 0.000 2.383 276 S HA -0.231 4.240 4.470 0.001 0.000 0.229 276 S C 1.965 176.522 174.600 -0.072 0.000 1.030 276 S CA 1.515 59.646 58.200 -0.115 0.000 1.002 276 S CB -0.289 62.859 63.200 -0.088 0.000 0.829 276 S HN 0.565 nan 8.310 nan 0.000 0.467 277 K N 0.902 121.266 120.400 -0.061 0.000 2.288 277 K HA 0.123 4.444 4.320 0.001 0.000 0.201 277 K C 1.134 177.718 176.600 -0.026 0.000 1.048 277 K CA 0.668 56.934 56.287 -0.034 0.000 0.956 277 K CB 0.032 32.515 32.500 -0.028 0.000 0.746 277 K HN 0.251 nan 8.250 nan 0.000 0.461 278 N N 0.158 118.832 118.700 -0.044 0.000 2.184 278 N HA 0.014 4.754 4.740 0.001 0.000 0.206 278 N C 1.256 176.746 175.510 -0.034 0.000 1.151 278 N CA 0.177 53.212 53.050 -0.026 0.000 0.878 278 N CB 0.536 39.011 38.487 -0.021 0.000 1.014 278 N HN 0.053 nan 8.380 nan 0.000 0.512 279 I N 1.420 121.946 120.570 -0.073 0.000 2.394 279 I HA -0.155 4.015 4.170 0.001 0.000 0.251 279 I C 1.908 178.007 176.117 -0.029 0.000 1.136 279 I CA 1.402 62.635 61.300 -0.113 0.000 1.425 279 I CB -0.174 37.736 38.000 -0.150 0.000 1.079 279 I HN -0.033 nan 8.210 nan 0.000 0.425 280 T N 0.368 114.927 114.554 0.008 0.000 2.708 280 T HA -0.253 4.097 4.350 0.001 0.000 0.266 280 T C 1.941 176.677 174.700 0.059 0.000 1.037 280 T CA 1.750 63.876 62.100 0.043 0.000 1.146 280 T CB -0.271 68.649 68.868 0.087 0.000 0.865 280 T HN 0.332 nan 8.240 nan 0.000 0.435 281 K N 1.157 121.590 120.400 0.055 0.000 2.063 281 K HA -0.105 4.216 4.320 0.001 0.000 0.208 281 K C 2.459 179.113 176.600 0.089 0.000 1.048 281 K CA 1.376 57.703 56.287 0.066 0.000 0.928 281 K CB -0.350 32.182 32.500 0.053 0.000 0.713 281 K HN 0.290 nan 8.250 nan 0.000 0.442 282 A N 1.078 123.960 122.820 0.104 0.000 1.902 282 A HA -0.110 4.210 4.320 0.001 0.000 0.217 282 A C 2.117 179.820 177.584 0.199 0.000 1.181 282 A CA 1.316 53.468 52.037 0.191 0.000 0.623 282 A CB -0.568 18.588 19.000 0.261 0.000 0.818 282 A HN 0.331 nan 8.150 nan 0.000 0.443 283 L N -0.685 120.627 121.223 0.148 0.000 2.083 283 L HA -0.147 4.194 4.340 0.001 0.000 0.209 283 L C 2.515 179.468 176.870 0.137 0.000 1.083 283 L CA 0.922 55.816 54.840 0.089 0.000 0.752 283 L CB -0.483 41.330 42.059 -0.411 0.000 0.899 283 L HN 0.240 nan 8.230 nan 0.000 0.433 284 V N -0.098 119.890 119.914 0.125 0.000 2.343 284 V HA -0.302 3.818 4.120 0.001 0.000 0.247 284 V C 2.484 178.580 176.094 0.003 0.000 1.051 284 V CA 2.013 64.389 62.300 0.128 0.000 1.036 284 V CB -0.380 31.513 31.823 0.116 0.000 0.654 284 V HN 0.507 nan 8.190 nan 0.000 0.451 285 E N 0.111 120.304 120.200 -0.012 0.000 2.077 285 E HA -0.225 4.125 4.350 0.001 0.000 0.193 285 E C 2.198 178.513 176.600 -0.475 0.000 0.989 285 E CA 1.455 57.803 56.400 -0.086 0.000 0.800 285 E CB -0.209 29.556 29.700 0.109 0.000 0.746 285 E HN 0.573 nan 8.360 nan 0.000 0.452 286 A N -0.287 122.177 122.820 -0.593 0.000 1.897 286 A HA -0.060 4.260 4.320 0.001 0.000 0.215 286 A C 1.672 178.527 177.584 -1.215 0.000 1.181 286 A CA 0.984 52.221 52.037 -1.332 0.000 0.620 286 A CB -0.416 18.002 19.000 -0.969 0.000 0.821 286 A HN 0.356 nan 8.150 nan 0.000 0.443 287 F N -1.388 118.335 119.950 -0.379 0.000 2.731 287 F HA 0.187 4.715 4.527 0.001 0.000 0.298 287 F C 2.022 177.685 175.800 -0.228 0.000 1.106 287 F CA 0.535 58.362 58.000 -0.288 0.000 1.329 287 F CB 0.305 39.258 39.000 -0.079 0.000 1.100 287 F HN 0.175 nan 8.300 nan 0.000 0.592 288 E N 1.429 121.593 120.200 -0.059 0.000 2.153 288 E HA -0.115 4.235 4.350 0.001 0.000 0.194 288 E C -0.761 175.759 176.600 -0.135 0.000 0.988 288 E CA 1.225 57.587 56.400 -0.063 0.000 0.811 288 E CB -1.056 28.621 29.700 -0.037 0.000 0.746 288 E HN 0.170 nan 8.360 nan 0.000 0.466 289 P HA -0.054 nan 4.420 nan 0.000 0.223 289 P C 0.636 177.785 177.300 -0.251 0.000 1.151 289 P CA 0.925 63.882 63.100 -0.239 0.000 0.787 289 P CB 0.113 31.620 31.700 -0.321 0.000 0.788 290 L N -2.476 118.563 121.223 -0.307 0.000 2.592 290 L HA 0.286 4.626 4.340 0.001 0.000 0.227 290 L C 1.348 178.091 176.870 -0.211 0.000 1.127 290 L CA 0.532 55.167 54.840 -0.340 0.000 0.884 290 L CB -0.828 40.883 42.059 -0.580 0.000 1.065 290 L HN 0.090 nan 8.230 nan 0.000 0.457 291 G N 1.379 110.096 108.800 -0.138 0.000 2.160 291 G HA2 -0.287 3.673 3.960 0.001 0.000 0.251 291 G HA3 -0.287 3.673 3.960 0.001 0.000 0.251 291 G C 0.061 174.916 174.900 -0.075 0.000 1.008 291 G CA -0.018 45.030 45.100 -0.088 0.000 0.724 291 G HN 0.316 nan 8.290 nan 0.000 0.514 292 I N 1.061 121.595 120.570 -0.060 0.000 2.377 292 I HA 0.477 4.647 4.170 0.001 0.000 0.293 292 I C 1.197 177.266 176.117 -0.080 0.000 0.987 292 I CA 0.063 61.322 61.300 -0.068 0.000 1.185 292 I CB 1.950 39.905 38.000 -0.074 0.000 1.341 292 I HN 0.192 nan 8.210 nan 0.000 0.455 293 S N 1.351 116.922 115.700 -0.215 0.000 2.649 293 S HA 0.101 4.571 4.470 0.001 0.000 0.246 293 S C 0.175 174.314 174.600 -0.768 0.000 1.057 293 S CA -0.417 57.527 58.200 -0.426 0.000 1.051 293 S CB 0.099 63.155 63.200 -0.239 0.000 1.018 293 S HN 0.627 nan 8.310 nan 0.000 0.569 294 D N 1.460 121.590 120.400 -0.450 0.000 2.393 294 D HA 0.216 4.856 4.640 0.001 0.000 0.232 294 D C -0.209 175.936 176.300 -0.257 0.000 1.192 294 D CA -0.558 53.240 54.000 -0.336 0.000 0.882 294 D CB 0.188 40.904 40.800 -0.140 0.000 1.038 294 D HN 0.222 nan 8.370 nan 0.000 0.499 295 Y N 2.145 122.467 120.300 0.037 0.000 2.578 295 Y HA 0.093 4.643 4.550 0.001 0.000 0.297 295 Y C 1.673 177.713 175.900 0.233 0.000 1.176 295 Y CA -0.063 58.115 58.100 0.130 0.000 1.315 295 Y CB -0.308 38.313 38.460 0.268 0.000 1.031 295 Y HN 0.427 nan 8.280 nan 0.000 0.524 296 N N -0.735 118.088 118.700 0.204 0.000 2.412 296 N HA -0.057 4.683 4.740 0.001 0.000 0.184 296 N C 1.538 177.143 175.510 0.159 0.000 1.101 296 N CA 0.904 54.054 53.050 0.167 0.000 0.881 296 N CB 0.084 38.619 38.487 0.080 0.000 0.969 296 N HN 0.349 nan 8.380 nan 0.000 0.459 297 S N 0.145 115.916 115.700 0.118 0.000 2.575 297 S HA 0.139 4.610 4.470 0.001 0.000 0.215 297 S C 0.845 175.524 174.600 0.132 0.000 0.966 297 S CA -0.507 57.754 58.200 0.102 0.000 0.911 297 S CB -0.444 62.785 63.200 0.049 0.000 0.780 297 S HN 0.291 nan 8.310 nan 0.000 0.514 298 I N -1.377 119.273 120.570 0.133 0.000 2.797 298 I HA 0.789 4.960 4.170 0.001 0.000 0.307 298 I C -0.422 175.824 176.117 0.216 0.000 1.033 298 I CA -1.876 59.460 61.300 0.060 0.000 1.071 298 I CB 1.368 39.198 38.000 -0.283 0.000 1.255 298 I HN 0.071 nan 8.210 nan 0.000 0.445 299 F N 0.837 120.875 119.950 0.147 0.000 2.375 299 F HA 0.682 5.210 4.527 0.001 0.000 0.333 299 F C -1.187 174.693 175.800 0.133 0.000 1.104 299 F CA -0.750 57.371 58.000 0.202 0.000 1.149 299 F CB 0.435 39.536 39.000 0.167 0.000 1.190 299 F HN 0.429 nan 8.300 nan 0.000 0.533 300 W N 3.914 125.362 121.300 0.247 0.000 2.632 300 W HA 0.693 5.354 4.660 0.001 0.000 0.328 300 W C -1.441 175.182 176.519 0.173 0.000 1.044 300 W CA -0.679 56.758 57.345 0.153 0.000 1.225 300 W CB 1.983 31.538 29.460 0.159 0.000 1.396 300 W HN 0.312 nan 8.180 nan 0.000 0.499 301 I N 3.680 124.417 120.570 0.277 0.000 2.468 301 I HA 0.579 4.749 4.170 0.001 0.000 0.284 301 I C -0.222 176.060 176.117 0.274 0.000 1.038 301 I CA -0.580 60.857 61.300 0.228 0.000 1.083 301 I CB 1.419 39.467 38.000 0.081 0.000 1.223 301 I HN 0.412 nan 8.210 nan 0.000 0.443 302 A N 3.924 126.959 122.820 0.357 0.000 2.371 302 A HA 0.616 4.936 4.320 0.001 0.000 0.311 302 A C -0.904 176.852 177.584 0.288 0.000 1.068 302 A CA -0.670 51.612 52.037 0.409 0.000 0.744 302 A CB 0.547 19.927 19.000 0.633 0.000 1.239 302 A HN 0.740 nan 8.150 nan 0.000 0.435 303 H N 3.909 123.032 119.070 0.088 0.000 3.046 303 H HA 0.278 4.834 4.556 0.001 0.000 0.303 303 H C -2.095 173.423 175.328 0.317 0.000 1.002 303 H CA -0.916 55.217 56.048 0.142 0.000 1.460 303 H CB 0.754 30.534 29.762 0.031 0.000 1.493 303 H HN 0.317 nan 8.280 nan 0.000 0.559 304 P HA 0.128 nan 4.420 nan 0.000 0.225 304 P C 0.846 177.972 177.300 -0.291 0.000 1.830 304 P CA -0.077 62.913 63.100 -0.182 0.000 1.051 304 P CB 0.463 32.112 31.700 -0.084 0.000 1.929 305 G N 2.087 110.816 108.800 -0.119 0.000 2.440 305 G HA2 0.044 4.005 3.960 0.001 0.000 0.218 305 G HA3 0.044 4.005 3.960 0.001 0.000 0.218 305 G C 0.685 175.625 174.900 0.066 0.000 1.154 305 G CA 0.660 45.833 45.100 0.121 0.000 0.767 305 G HN 0.635 nan 8.290 nan 0.000 0.552 306 G N -1.801 107.019 108.800 0.033 0.000 2.677 306 G HA2 0.529 4.489 3.960 0.001 0.000 0.291 306 G HA3 0.529 4.489 3.960 0.001 0.000 0.291 306 G C -2.128 172.769 174.900 -0.005 0.000 1.435 306 G CA -0.141 44.958 45.100 -0.002 0.000 0.826 306 G HN -0.133 nan 8.290 nan 0.000 0.491 307 P HA -0.079 nan 4.420 nan 0.000 0.218 307 P C 1.867 179.157 177.300 -0.017 0.000 1.149 307 P CA 1.638 64.728 63.100 -0.016 0.000 0.817 307 P CB 0.241 31.926 31.700 -0.026 0.000 0.785 308 A N -0.037 122.771 122.820 -0.020 0.000 1.972 308 A HA -0.131 4.190 4.320 0.001 0.000 0.219 308 A C 2.343 179.905 177.584 -0.037 0.000 1.169 308 A CA 1.096 53.118 52.037 -0.026 0.000 0.635 308 A CB -1.474 17.513 19.000 -0.022 0.000 0.810 308 A HN 0.124 nan 8.150 nan 0.000 0.446 309 I N -0.218 120.331 120.570 -0.035 0.000 2.127 309 I HA -0.295 3.875 4.170 0.001 0.000 0.241 309 I C 2.390 178.474 176.117 -0.056 0.000 1.075 309 I CA 1.362 62.617 61.300 -0.075 0.000 1.334 309 I CB -0.448 37.508 38.000 -0.073 0.000 1.040 309 I HN 0.310 nan 8.210 nan 0.000 0.405 310 L N 0.194 121.414 121.223 -0.005 0.000 2.017 310 L HA -0.242 4.098 4.340 0.001 0.000 0.208 310 L C 2.250 179.096 176.870 -0.039 0.000 1.073 310 L CA 1.348 56.191 54.840 0.005 0.000 0.745 310 L CB -0.901 41.173 42.059 0.026 0.000 0.894 310 L HN 0.266 nan 8.230 nan 0.000 0.432 311 D N -0.073 120.304 120.400 -0.038 0.000 2.097 311 D HA -0.195 4.445 4.640 0.001 0.000 0.195 311 D C 2.342 178.609 176.300 -0.055 0.000 0.989 311 D CA 1.217 55.189 54.000 -0.045 0.000 0.827 311 D CB -0.197 40.581 40.800 -0.036 0.000 0.966 311 D HN 0.408 nan 8.370 nan 0.000 0.456 312 Q N 0.049 119.815 119.800 -0.058 0.000 2.172 312 Q HA -0.046 4.295 4.340 0.001 0.000 0.200 312 Q C 2.341 178.297 176.000 -0.074 0.000 0.964 312 Q CA 0.490 56.256 55.803 -0.062 0.000 0.855 312 Q CB 0.194 28.894 28.738 -0.064 0.000 0.918 312 Q HN 0.137 nan 8.270 nan 0.000 0.444 313 V N 1.293 121.154 119.914 -0.088 0.000 2.307 313 V HA -0.279 3.842 4.120 0.001 0.000 0.245 313 V C 2.246 178.264 176.094 -0.126 0.000 1.045 313 V CA 2.140 64.382 62.300 -0.098 0.000 1.024 313 V CB -0.521 31.253 31.823 -0.080 0.000 0.651 313 V HN 0.442 nan 8.190 nan 0.000 0.449 314 E N -0.097 120.016 120.200 -0.146 0.000 2.058 314 E HA -0.315 4.035 4.350 0.001 0.000 0.194 314 E C 2.207 178.747 176.600 -0.101 0.000 0.997 314 E CA 1.910 58.212 56.400 -0.164 0.000 0.801 314 E CB -0.154 29.463 29.700 -0.138 0.000 0.746 314 E HN 0.697 nan 8.360 nan 0.000 0.450 315 Q N 0.233 119.990 119.800 -0.071 0.000 2.050 315 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 315 Q C 2.208 178.187 176.000 -0.034 0.000 0.980 315 Q CA 1.799 57.574 55.803 -0.047 0.000 0.840 315 Q CB -0.158 28.556 28.738 -0.039 0.000 0.898 315 Q HN 0.040 nan 8.270 nan 0.000 0.424 316 K N 1.155 121.533 120.400 -0.035 0.000 2.020 316 K HA -0.151 4.169 4.320 0.001 0.000 0.212 316 K C 1.595 178.201 176.600 0.010 0.000 1.050 316 K CA 1.509 57.788 56.287 -0.014 0.000 0.929 316 K CB -0.253 32.236 32.500 -0.019 0.000 0.714 316 K HN 0.166 nan 8.250 nan 0.000 0.443 317 L N -0.401 120.825 121.223 0.006 0.000 2.558 317 L HA 0.250 4.590 4.340 0.001 0.000 0.225 317 L C 0.614 177.509 176.870 0.041 0.000 1.128 317 L CA 0.291 55.168 54.840 0.062 0.000 0.868 317 L CB -0.237 41.873 42.059 0.085 0.000 1.006 317 L HN 0.393 nan 8.230 nan 0.000 0.454 318 A N 0.568 123.384 122.820 -0.006 0.000 2.846 318 A HA -0.196 4.125 4.320 0.001 0.000 0.287 318 A C 0.336 177.901 177.584 -0.031 0.000 1.469 318 A CA 0.263 52.291 52.037 -0.015 0.000 0.757 318 A CB -2.443 16.558 19.000 0.001 0.000 1.033 318 A HN 0.304 nan 8.150 nan 0.000 0.516 319 L N -0.136 121.037 121.223 -0.083 0.000 2.456 319 L HA 0.141 4.481 4.340 0.001 0.000 0.272 319 L C 1.186 177.999 176.870 -0.095 0.000 1.189 319 L CA 0.101 54.860 54.840 -0.135 0.000 0.846 319 L CB 0.390 42.252 42.059 -0.328 0.000 1.111 319 L HN 0.401 nan 8.230 nan 0.000 0.475 320 K N 3.603 123.964 120.400 -0.064 0.000 2.414 320 K HA 0.035 4.355 4.320 0.001 0.000 0.272 320 K C -1.525 175.042 176.600 -0.055 0.000 0.993 320 K CA -1.220 55.043 56.287 -0.039 0.000 0.964 320 K CB 0.281 32.776 32.500 -0.009 0.000 0.925 320 K HN 0.317 nan 8.250 nan 0.000 0.487 321 P HA -0.179 nan 4.420 nan 0.000 0.218 321 P C 0.224 177.511 177.300 -0.022 0.000 1.146 321 P CA 1.308 64.386 63.100 -0.035 0.000 0.813 321 P CB 0.257 31.945 31.700 -0.020 0.000 0.778 322 E N -0.674 119.524 120.200 -0.005 0.000 2.274 322 E HA -0.109 4.241 4.350 0.001 0.000 0.194 322 E C 1.818 178.438 176.600 0.034 0.000 0.996 322 E CA 0.701 57.114 56.400 0.020 0.000 0.840 322 E CB -0.489 29.231 29.700 0.033 0.000 0.772 322 E HN 0.145 nan 8.360 nan 0.000 0.491 323 K N 0.121 120.521 120.400 -0.001 0.000 2.063 323 K HA -0.058 4.262 4.320 0.001 0.000 0.208 323 K C 1.372 178.010 176.600 0.062 0.000 1.048 323 K CA 1.012 57.310 56.287 0.018 0.000 0.928 323 K CB -0.127 32.271 32.500 -0.169 0.000 0.713 323 K HN 0.257 nan 8.250 nan 0.000 0.442 324 M N 1.323 120.926 119.600 0.005 0.000 2.568 324 M HA 0.029 4.509 4.480 0.001 0.000 0.226 324 M C 0.684 177.033 176.300 0.081 0.000 1.148 324 M CA 0.204 55.540 55.300 0.060 0.000 1.007 324 M CB -0.653 31.952 32.600 0.009 0.000 1.651 324 M HN 0.007 nan 8.290 nan 0.000 0.488 325 N N 2.068 120.816 118.700 0.080 0.000 2.036 325 N HA -0.129 4.611 4.740 0.001 0.000 0.195 325 N C 1.796 177.365 175.510 0.099 0.000 1.037 325 N CA 2.007 55.103 53.050 0.077 0.000 0.855 325 N CB -0.212 38.317 38.487 0.071 0.000 1.033 325 N HN 0.415 nan 8.380 nan 0.000 0.423 326 A N -0.010 122.886 122.820 0.126 0.000 1.933 326 A HA -0.106 4.214 4.320 0.001 0.000 0.218 326 A C 2.367 180.040 177.584 0.148 0.000 1.175 326 A CA 1.969 54.090 52.037 0.139 0.000 0.628 326 A CB -1.049 18.044 19.000 0.154 0.000 0.814 326 A HN 0.336 nan 8.150 nan 0.000 0.444 327 T N -0.270 114.376 114.554 0.155 0.000 2.708 327 T HA -0.152 4.198 4.350 0.001 0.000 0.266 327 T C 2.065 176.832 174.700 0.112 0.000 1.037 327 T CA 1.687 63.875 62.100 0.147 0.000 1.146 327 T CB -0.234 68.736 68.868 0.170 0.000 0.865 327 T HN 0.522 nan 8.240 nan 0.000 0.435 328 R N 0.531 121.085 120.500 0.091 0.000 2.115 328 R HA -0.049 4.292 4.340 0.001 0.000 0.230 328 R C 2.531 178.871 176.300 0.066 0.000 1.111 328 R CA 1.148 57.285 56.100 0.062 0.000 0.976 328 R CB -0.149 30.176 30.300 0.042 0.000 0.870 328 R HN 0.354 nan 8.270 nan 0.000 0.445 329 E N 0.685 120.937 120.200 0.087 0.000 2.072 329 E HA -0.126 4.224 4.350 0.001 0.000 0.191 329 E C 1.748 178.429 176.600 0.135 0.000 0.985 329 E CA 1.178 57.633 56.400 0.092 0.000 0.801 329 E CB -0.040 29.722 29.700 0.104 0.000 0.750 329 E HN 0.024 nan 8.360 nan 0.000 0.452 330 V N 0.700 120.728 119.914 0.191 0.000 2.358 330 V HA -0.202 3.918 4.120 0.001 0.000 0.246 330 V C 2.416 178.636 176.094 0.211 0.000 1.047 330 V CA 1.574 64.053 62.300 0.300 0.000 1.035 330 V CB -0.609 31.363 31.823 0.248 0.000 0.658 330 V HN 0.341 nan 8.190 nan 0.000 0.452 331 L N 0.237 121.524 121.223 0.106 0.000 2.012 331 L HA -0.179 4.161 4.340 0.001 0.000 0.210 331 L C 2.633 179.516 176.870 0.021 0.000 1.073 331 L CA 2.546 57.414 54.840 0.047 0.000 0.748 331 L CB -0.840 41.229 42.059 0.017 0.000 0.891 331 L HN 0.336 nan 8.230 nan 0.000 0.431 332 S N -1.177 114.531 115.700 0.013 0.000 2.368 332 S HA -0.161 4.310 4.470 0.001 0.000 0.225 332 S C 1.871 176.423 174.600 -0.079 0.000 1.030 332 S CA 1.412 59.594 58.200 -0.030 0.000 0.999 332 S CB -0.303 62.886 63.200 -0.018 0.000 0.844 332 S HN 0.586 nan 8.310 nan 0.000 0.459 333 E N -0.784 119.348 120.200 -0.114 0.000 2.318 333 E HA 0.082 4.432 4.350 0.001 0.000 0.193 333 E C 0.658 176.976 176.600 -0.469 0.000 0.998 333 E CA 0.731 56.931 56.400 -0.334 0.000 0.859 333 E CB 0.040 29.445 29.700 -0.492 0.000 0.812 333 E HN 0.774 nan 8.360 nan 0.000 0.492 334 Y N -1.058 119.257 120.300 0.025 0.000 2.476 334 Y HA 0.321 4.871 4.550 0.001 0.000 0.261 334 Y C 1.223 177.089 175.900 -0.056 0.000 1.077 334 Y CA 0.080 58.186 58.100 0.010 0.000 1.240 334 Y CB 1.082 39.457 38.460 -0.141 0.000 1.317 334 Y HN 0.045 nan 8.280 nan 0.000 0.540 335 G N 1.834 110.672 108.800 0.062 0.000 2.642 335 G HA2 -0.330 3.630 3.960 0.001 0.000 0.231 335 G HA3 -0.330 3.630 3.960 0.001 0.000 0.231 335 G C -0.644 174.276 174.900 0.033 0.000 1.338 335 G CA -0.276 44.832 45.100 0.012 0.000 0.883 335 G HN 0.299 nan 8.290 nan 0.000 0.570 336 N N 0.589 119.322 118.700 0.056 0.000 2.439 336 N HA 0.435 5.176 4.740 0.001 0.000 0.243 336 N C 0.994 176.606 175.510 0.170 0.000 1.088 336 N CA -0.251 52.873 53.050 0.123 0.000 0.940 336 N CB 0.147 38.753 38.487 0.199 0.000 1.180 336 N HN 0.484 nan 8.380 nan 0.000 0.505 337 M N 2.314 121.959 119.600 0.073 0.000 2.723 337 M HA 0.062 4.542 4.480 0.001 0.000 0.270 337 M C 1.004 177.320 176.300 0.026 0.000 1.282 337 M CA -0.231 55.069 55.300 -0.000 0.000 0.995 337 M CB -0.502 31.993 32.600 -0.174 0.000 1.430 337 M HN 0.705 nan 8.290 nan 0.000 0.477 338 S N 0.961 116.730 115.700 0.116 0.000 3.938 338 S HA -0.321 4.149 4.470 0.001 0.000 0.624 338 S C 1.496 176.069 174.600 -0.045 0.000 2.186 338 S CA 2.157 60.357 58.200 0.000 0.000 4.144 338 S CB -1.290 61.798 63.200 -0.186 0.000 0.230 338 S HN 0.732 nan 8.310 nan 0.000 0.755 339 S N 1.598 117.219 115.700 -0.132 0.000 2.419 339 S HA 0.091 4.562 4.470 0.001 0.000 0.235 339 S C 1.966 176.552 174.600 -0.022 0.000 1.019 339 S CA 1.836 59.962 58.200 -0.125 0.000 0.982 339 S CB -0.962 62.151 63.200 -0.146 0.000 0.789 339 S HN 1.621 nan 8.310 nan 0.000 0.490 340 A N 0.186 123.021 122.820 0.025 0.000 2.067 340 A HA 0.083 4.403 4.320 0.001 0.000 0.217 340 A C 2.384 180.085 177.584 0.194 0.000 1.156 340 A CA 0.810 52.918 52.037 0.118 0.000 0.683 340 A CB -1.440 17.659 19.000 0.164 0.000 0.808 340 A HN 0.673 nan 8.150 nan 0.000 0.455 341 C N -0.216 119.162 119.300 0.130 0.000 2.413 341 C HA -0.137 4.324 4.460 0.001 0.000 0.276 341 C C 2.862 177.967 174.990 0.191 0.000 1.248 341 C CA 1.724 60.819 59.018 0.128 0.000 1.742 341 C CB -1.259 26.596 27.740 0.193 0.000 2.017 341 C HN 0.685 nan 8.230 nan 0.000 0.481 342 V N -0.400 119.629 119.914 0.192 0.000 2.626 342 V HA -0.113 4.007 4.120 0.001 0.000 0.252 342 V C 2.075 178.231 176.094 0.104 0.000 1.067 342 V CA 2.047 64.430 62.300 0.137 0.000 1.081 342 V CB -0.962 30.913 31.823 0.088 0.000 0.686 342 V HN 0.608 nan 8.190 nan 0.000 0.468 343 L N -1.791 119.499 121.223 0.111 0.000 2.156 343 L HA 0.051 4.392 4.340 0.001 0.000 0.208 343 L C 2.569 179.480 176.870 0.067 0.000 1.095 343 L CA 1.351 56.226 54.840 0.058 0.000 0.770 343 L CB -0.656 41.414 42.059 0.019 0.000 0.914 343 L HN 0.247 nan 8.230 nan 0.000 0.439 344 F N 0.534 120.452 119.950 -0.053 0.000 2.171 344 F HA -0.177 4.351 4.527 0.001 0.000 0.300 344 F C 2.343 178.140 175.800 -0.005 0.000 1.090 344 F CA 1.371 59.321 58.000 -0.083 0.000 1.293 344 F CB -0.401 38.479 39.000 -0.200 0.000 1.013 344 F HN -0.069 nan 8.300 nan 0.000 0.486 345 I N -0.633 120.068 120.570 0.218 0.000 2.252 345 I HA -0.293 3.877 4.170 0.001 0.000 0.245 345 I C 2.265 178.459 176.117 0.127 0.000 1.102 345 I CA 1.045 62.447 61.300 0.170 0.000 1.385 345 I CB -0.550 37.545 38.000 0.159 0.000 1.064 345 I HN 0.083 nan 8.210 nan 0.000 0.414 346 L N 0.360 121.629 121.223 0.078 0.000 2.042 346 L HA -0.279 4.061 4.340 0.001 0.000 0.210 346 L C 2.276 179.247 176.870 0.169 0.000 1.076 346 L CA 1.558 56.436 54.840 0.064 0.000 0.749 346 L CB -0.647 41.401 42.059 -0.019 0.000 0.893 346 L HN 0.286 nan 8.230 nan 0.000 0.432 347 D N -0.139 120.317 120.400 0.093 0.000 2.097 347 D HA -0.240 4.400 4.640 0.001 0.000 0.195 347 D C 2.042 178.389 176.300 0.080 0.000 0.989 347 D CA 1.229 55.262 54.000 0.055 0.000 0.827 347 D CB 0.132 40.894 40.800 -0.063 0.000 0.966 347 D HN 0.215 nan 8.370 nan 0.000 0.456 348 E N -0.082 120.184 120.200 0.109 0.000 2.085 348 E HA -0.201 4.150 4.350 0.001 0.000 0.194 348 E C 2.182 178.849 176.600 0.112 0.000 0.994 348 E CA 1.198 57.672 56.400 0.124 0.000 0.801 348 E CB -0.453 29.346 29.700 0.166 0.000 0.743 348 E HN 0.411 nan 8.360 nan 0.000 0.453 349 M N 0.141 119.821 119.600 0.133 0.000 2.099 349 M HA -0.182 4.299 4.480 0.001 0.000 0.262 349 M C 2.164 178.524 176.300 0.099 0.000 1.067 349 M CA 2.250 57.628 55.300 0.129 0.000 1.124 349 M CB -0.132 32.566 32.600 0.164 0.000 1.353 349 M HN 0.127 nan 8.290 nan 0.000 0.410 350 R N 0.069 120.645 120.500 0.126 0.000 2.090 350 R HA -0.023 4.318 4.340 0.001 0.000 0.228 350 R C 1.767 178.052 176.300 -0.024 0.000 1.110 350 R CA 1.507 57.602 56.100 -0.007 0.000 0.973 350 R CB -0.793 29.454 30.300 -0.087 0.000 0.869 350 R HN 0.321 nan 8.270 nan 0.000 0.440 351 K N 0.499 120.906 120.400 0.013 0.000 2.025 351 K HA -0.008 4.313 4.320 0.001 0.000 0.207 351 K C 1.920 178.526 176.600 0.010 0.000 1.049 351 K CA 1.253 57.544 56.287 0.006 0.000 0.933 351 K CB -0.010 32.503 32.500 0.022 0.000 0.714 351 K HN 0.024 nan 8.250 nan 0.000 0.438 352 K N 0.660 121.076 120.400 0.028 0.000 2.097 352 K HA -0.005 4.315 4.320 0.001 0.000 0.205 352 K C 2.228 178.834 176.600 0.009 0.000 1.050 352 K CA 1.060 57.363 56.287 0.027 0.000 0.938 352 K CB -0.214 32.313 32.500 0.046 0.000 0.718 352 K HN 0.000 nan 8.250 nan 0.000 0.442 353 S N 0.546 116.243 115.700 -0.004 0.000 2.356 353 S HA -0.097 4.373 4.470 0.001 0.000 0.223 353 S C 2.032 176.608 174.600 -0.039 0.000 1.032 353 S CA 1.712 59.895 58.200 -0.028 0.000 1.005 353 S CB -0.286 62.875 63.200 -0.065 0.000 0.867 353 S HN 0.362 nan 8.310 nan 0.000 0.449 354 T N 1.857 116.383 114.554 -0.047 0.000 2.737 354 T HA -0.128 4.222 4.350 0.001 0.000 0.265 354 T C 1.957 176.640 174.700 -0.028 0.000 1.038 354 T CA 1.349 63.420 62.100 -0.048 0.000 1.144 354 T CB -0.330 68.504 68.868 -0.056 0.000 0.866 354 T HN 0.430 nan 8.240 nan 0.000 0.434 355 Q N 0.977 120.767 119.800 -0.016 0.000 2.061 355 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 355 Q C 1.200 177.197 176.000 -0.005 0.000 0.984 355 Q CA 1.391 57.190 55.803 -0.007 0.000 0.846 355 Q CB -0.063 28.677 28.738 0.003 0.000 0.902 355 Q HN 0.321 nan 8.270 nan 0.000 0.421 356 N N -0.571 118.127 118.700 -0.003 0.000 2.370 356 N HA 0.104 4.844 4.740 0.001 0.000 0.198 356 N C 0.086 175.593 175.510 -0.005 0.000 1.156 356 N CA 0.882 53.932 53.050 -0.001 0.000 0.839 356 N CB 0.627 39.118 38.487 0.006 0.000 0.989 356 N HN 0.431 nan 8.380 nan 0.000 0.468 357 G N 0.657 109.450 108.800 -0.013 0.000 2.249 357 G HA2 -0.287 3.674 3.960 0.001 0.000 0.273 357 G HA3 -0.287 3.674 3.960 0.001 0.000 0.273 357 G C 0.084 174.974 174.900 -0.017 0.000 1.036 357 G CA 0.105 45.196 45.100 -0.016 0.000 0.824 357 G HN 0.305 nan 8.290 nan 0.000 0.504 358 L N -1.256 119.954 121.223 -0.021 0.000 2.476 358 L HA 0.300 4.641 4.340 0.001 0.000 0.255 358 L C 1.953 178.803 176.870 -0.033 0.000 1.218 358 L CA -0.373 54.454 54.840 -0.021 0.000 0.819 358 L CB 0.290 42.337 42.059 -0.020 0.000 1.119 358 L HN 0.031 nan 8.230 nan 0.000 0.485 359 K N -0.345 120.038 120.400 -0.029 0.000 2.305 359 K HA 0.018 4.338 4.320 0.001 0.000 0.199 359 K C 0.478 177.043 176.600 -0.059 0.000 1.047 359 K CA 0.741 57.007 56.287 -0.036 0.000 0.976 359 K CB 0.119 32.607 32.500 -0.020 0.000 0.765 359 K HN 0.840 nan 8.250 nan 0.000 0.474 360 T N -3.234 111.273 114.554 -0.077 0.000 2.865 360 T HA 0.122 4.473 4.350 0.001 0.000 0.294 360 T C 1.030 175.621 174.700 -0.182 0.000 1.119 360 T CA -0.664 61.359 62.100 -0.127 0.000 1.007 360 T CB 1.655 70.453 68.868 -0.117 0.000 1.225 360 T HN 0.025 nan 8.240 nan 0.000 0.515 361 T N -2.315 112.065 114.554 -0.290 0.000 3.072 361 T HA 0.201 4.552 4.350 0.001 0.000 0.266 361 T C 1.438 175.914 174.700 -0.373 0.000 1.127 361 T CA 0.614 62.480 62.100 -0.391 0.000 1.107 361 T CB -0.588 67.837 68.868 -0.738 0.000 0.910 361 T HN 1.010 nan 8.240 nan 0.000 0.513 362 G N 1.089 109.603 108.800 -0.477 0.000 4.178 362 G HA2 0.427 4.388 3.960 0.001 0.000 0.287 362 G HA3 0.427 4.388 3.960 0.001 0.000 0.287 362 G C -0.130 174.561 174.900 -0.348 0.000 1.293 362 G CA -0.722 43.813 45.100 -0.942 0.000 1.393 362 G HN 0.512 nan 8.290 nan 0.000 0.623 363 E N -1.026 119.087 120.200 -0.146 0.000 2.637 363 E HA -0.272 4.078 4.350 0.001 0.000 0.265 363 E C 1.514 178.124 176.600 0.017 0.000 1.073 363 E CA 0.548 56.942 56.400 -0.009 0.000 0.778 363 E CB -1.420 28.328 29.700 0.080 0.000 1.362 363 E HN 1.282 nan 8.360 nan 0.000 0.413 364 G N -0.725 108.063 108.800 -0.018 0.000 2.179 364 G HA2 -0.330 3.631 3.960 0.001 0.000 0.260 364 G HA3 -0.330 3.631 3.960 0.001 0.000 0.260 364 G C 0.280 175.212 174.900 0.053 0.000 0.977 364 G CA 0.608 45.714 45.100 0.010 0.000 0.641 364 G HN 0.264 nan 8.290 nan 0.000 0.533 365 L N -0.290 120.998 121.223 0.108 0.000 2.352 365 L HA 0.586 4.926 4.340 0.001 0.000 0.269 365 L C 1.498 178.503 176.870 0.224 0.000 1.034 365 L CA -0.411 54.551 54.840 0.204 0.000 0.806 365 L CB 1.406 43.664 42.059 0.332 0.000 1.244 365 L HN 0.233 nan 8.230 nan 0.000 0.447 366 E N 0.974 121.287 120.200 0.188 0.000 2.042 366 E HA -0.030 4.320 4.350 0.001 0.000 0.189 366 E C -0.404 176.173 176.600 -0.038 0.000 0.974 366 E CA 0.565 56.976 56.400 0.018 0.000 0.806 366 E CB 0.225 29.887 29.700 -0.064 0.000 0.769 366 E HN 0.488 nan 8.360 nan 0.000 0.451 367 W N -0.415 121.016 121.300 0.218 0.000 2.578 367 W HA 0.613 5.274 4.660 0.001 0.000 0.346 367 W C 0.237 176.501 176.519 -0.424 0.000 1.075 367 W CA -0.330 57.043 57.345 0.047 0.000 1.233 367 W CB 1.879 31.389 29.460 0.084 0.000 1.358 367 W HN 0.100 nan 8.180 nan 0.000 0.574 368 G N 0.041 108.497 108.800 -0.573 0.000 2.682 368 G HA2 0.589 4.550 3.960 0.001 0.000 0.290 368 G HA3 0.589 4.550 3.960 0.001 0.000 0.290 368 G C -2.316 172.230 174.900 -0.590 0.000 1.425 368 G CA -0.777 43.460 45.100 -1.437 0.000 0.807 368 G HN 0.493 nan 8.290 nan 0.000 0.482 369 V N 0.084 119.589 119.914 -0.683 0.000 2.760 369 V HA 0.806 4.926 4.120 0.001 0.000 0.309 369 V C -1.290 174.434 176.094 -0.616 0.000 1.077 369 V CA -0.868 61.072 62.300 -0.599 0.000 0.910 369 V CB 1.701 33.075 31.823 -0.747 0.000 1.008 369 V HN 0.878 nan 8.190 nan 0.000 0.424 370 L N 6.385 127.266 121.223 -0.569 0.000 2.356 370 L HA 0.724 5.064 4.340 0.001 0.000 0.277 370 L C -1.689 174.874 176.870 -0.511 0.000 0.996 370 L CA -0.246 54.360 54.840 -0.391 0.000 0.822 370 L CB 1.551 43.471 42.059 -0.233 0.000 1.256 370 L HN 0.648 nan 8.230 nan 0.000 0.413 371 F N 2.761 122.614 119.950 -0.162 0.000 2.520 371 F HA 0.700 5.228 4.527 0.001 0.000 0.322 371 F C 0.742 176.248 175.800 -0.489 0.000 1.103 371 F CA -0.709 57.104 58.000 -0.311 0.000 0.926 371 F CB 2.229 41.026 39.000 -0.339 0.000 1.154 371 F HN 0.498 nan 8.300 nan 0.000 0.453 372 G N 2.418 111.071 108.800 -0.245 0.000 2.416 372 G HA2 0.700 4.660 3.960 0.001 0.000 0.329 372 G HA3 0.700 4.660 3.960 0.001 0.000 0.329 372 G C -1.716 173.006 174.900 -0.296 0.000 1.173 372 G CA -0.478 44.472 45.100 -0.250 0.000 0.929 372 G HN 0.482 nan 8.290 nan 0.000 0.475 373 F N 0.462 120.565 119.950 0.255 0.000 2.556 373 F HA 0.793 5.320 4.527 0.001 0.000 0.314 373 F C 0.648 176.613 175.800 0.275 0.000 1.106 373 F CA -0.479 57.672 58.000 0.252 0.000 0.911 373 F CB 2.947 42.096 39.000 0.249 0.000 1.190 373 F HN 0.878 nan 8.300 nan 0.000 0.448 374 G N 1.501 110.617 108.800 0.526 0.000 2.490 374 G HA2 0.509 4.470 3.960 0.001 0.000 0.308 374 G HA3 0.509 4.470 3.960 0.001 0.000 0.308 374 G C -3.408 171.765 174.900 0.456 0.000 1.286 374 G CA -1.292 44.105 45.100 0.495 0.000 0.825 374 G HN 0.216 nan 8.290 nan 0.000 0.479 375 P HA 0.310 nan 4.420 nan 0.000 0.263 375 P C 0.875 178.328 177.300 0.255 0.000 1.175 375 P CA 2.054 65.329 63.100 0.290 0.000 0.761 375 P CB 0.948 32.798 31.700 0.250 0.000 0.794 376 G N 2.415 111.300 108.800 0.143 0.000 3.006 376 G HA2 -0.165 3.795 3.960 0.001 0.000 0.195 376 G HA3 -0.165 3.795 3.960 0.001 0.000 0.195 376 G C -0.100 174.831 174.900 0.051 0.000 1.034 376 G CA -0.513 44.633 45.100 0.076 0.000 0.807 376 G HN 0.578 nan 8.290 nan 0.000 0.469 377 L N 3.419 124.673 121.223 0.053 0.000 2.615 377 L HA 0.450 4.791 4.340 0.001 0.000 0.271 377 L C 0.048 176.941 176.870 0.039 0.000 1.183 377 L CA 0.618 55.501 54.840 0.073 0.000 0.933 377 L CB 0.532 42.632 42.059 0.068 0.000 1.199 377 L HN 0.186 nan 8.230 nan 0.000 0.487 378 T N 6.686 121.254 114.554 0.023 0.000 2.837 378 T HA 0.512 4.862 4.350 0.001 0.000 0.285 378 T C -0.042 174.658 174.700 0.000 0.000 0.984 378 T CA -0.227 61.786 62.100 -0.145 0.000 1.049 378 T CB 0.944 69.414 68.868 -0.662 0.000 0.947 378 T HN 0.377 nan 8.240 nan 0.000 0.472 379 I N 3.026 123.602 120.570 0.011 0.000 2.389 379 I HA 0.322 4.492 4.170 0.001 0.000 0.288 379 I C 0.199 176.345 176.117 0.049 0.000 0.999 379 I CA -0.797 60.595 61.300 0.154 0.000 1.129 379 I CB 1.479 39.611 38.000 0.220 0.000 1.288 379 I HN 0.403 nan 8.210 nan 0.000 0.444 380 E N 4.796 125.031 120.200 0.057 0.000 2.175 380 E HA 0.444 4.795 4.350 0.001 0.000 0.278 380 E C -0.856 175.795 176.600 0.085 0.000 0.969 380 E CA -0.386 56.023 56.400 0.014 0.000 0.796 380 E CB 2.347 32.052 29.700 0.008 0.000 1.104 380 E HN 0.441 nan 8.360 nan 0.000 0.395 381 T N 1.529 116.095 114.554 0.020 0.000 2.824 381 T HA 0.433 4.783 4.350 0.001 0.000 0.282 381 T C -0.454 174.163 174.700 -0.138 0.000 0.993 381 T CA -0.560 61.504 62.100 -0.060 0.000 0.967 381 T CB 1.413 70.356 68.868 0.126 0.000 0.960 381 T HN 0.091 nan 8.240 nan 0.000 0.441 382 V N 3.572 123.351 119.914 -0.226 0.000 2.483 382 V HA 0.397 4.517 4.120 0.001 0.000 0.297 382 V C -0.156 175.845 176.094 -0.156 0.000 1.027 382 V CA -0.854 61.357 62.300 -0.149 0.000 0.855 382 V CB 1.903 33.638 31.823 -0.148 0.000 0.995 382 V HN 0.723 nan 8.190 nan 0.000 0.424 383 V N 6.803 126.696 119.914 -0.035 0.000 2.461 383 V HA 0.451 4.571 4.120 0.001 0.000 0.275 383 V C -0.014 176.119 176.094 0.064 0.000 1.047 383 V CA -0.147 62.121 62.300 -0.053 0.000 0.955 383 V CB 1.316 33.049 31.823 -0.150 0.000 0.988 383 V HN 0.621 nan 8.190 nan 0.000 0.471 384 L N 5.174 126.431 121.223 0.056 0.000 2.333 384 L HA 0.698 5.039 4.340 0.001 0.000 0.269 384 L C -0.079 176.895 176.870 0.173 0.000 1.010 384 L CA -0.729 54.181 54.840 0.116 0.000 0.818 384 L CB 2.076 44.178 42.059 0.070 0.000 1.306 384 L HN 0.543 nan 8.230 nan 0.000 0.430 385 R N 0.696 121.260 120.500 0.106 0.000 2.562 385 R HA 0.520 4.860 4.340 0.001 0.000 0.298 385 R C -0.252 176.156 176.300 0.180 0.000 0.961 385 R CA -0.394 55.605 56.100 -0.168 0.000 0.881 385 R CB 1.829 31.775 30.300 -0.590 0.000 1.159 385 R HN 0.835 nan 8.270 nan 0.000 0.450 386 S N 1.703 117.529 115.700 0.210 0.000 2.661 386 S HA 0.433 4.903 4.470 0.001 0.000 0.265 386 S C -0.138 174.397 174.600 -0.110 0.000 1.225 386 S CA -0.717 57.525 58.200 0.069 0.000 0.986 386 S CB 1.419 64.578 63.200 -0.068 0.000 1.008 386 S HN 0.288 nan 8.310 nan 0.000 0.565 387 V N 0.719 120.500 119.914 -0.222 0.000 2.680 387 V HA 0.705 4.825 4.120 0.001 0.000 0.309 387 V C 0.492 176.486 176.094 -0.167 0.000 1.052 387 V CA -0.805 61.385 62.300 -0.184 0.000 0.908 387 V CB 1.444 33.145 31.823 -0.203 0.000 1.001 387 V HN 1.221 nan 8.190 nan 0.000 0.431 388 A N 4.798 127.548 122.820 -0.117 0.000 2.520 388 A HA 0.578 4.899 4.320 0.001 0.000 0.245 388 A C 0.033 177.558 177.584 -0.098 0.000 1.072 388 A CA 0.288 52.269 52.037 -0.093 0.000 0.761 388 A CB -0.461 18.499 19.000 -0.066 0.000 1.004 388 A HN 0.947 nan 8.150 nan 0.000 0.499 389 I N 0.000 120.515 120.570 -0.091 0.000 2.984 389 I HA 0.000 4.170 4.170 0.001 0.000 0.288 389 I CA 0.000 61.249 61.300 -0.085 0.000 1.566 389 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 389 I HN 0.000 nan 8.210 nan 0.000 0.494