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 1d6f_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 QQGAFAGGTV LRLAKDLAEN NKGARVLVVC SEVTAVTFRG DATA SEQUENCE PSDTHLDSLV GQALFGDGAA ALIVGSDPVP EIEKPIFEMV WTAQTIAPDS DATA SEQUENCE EGAIDGHLRE 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 1.569 121.483 119.914 0.001 0.000 2.530 2 V HA 0.449 4.570 4.120 0.001 0.000 0.282 2 V C 0.278 176.373 176.094 0.002 0.000 1.048 2 V CA -0.279 62.022 62.300 0.001 0.000 0.997 2 V CB 1.234 33.057 31.823 0.001 0.000 0.987 2 V HN 0.373 nan 8.190 nan 0.000 0.477 3 S N 3.901 119.602 115.700 0.002 0.000 2.430 3 S HA 0.254 4.724 4.470 0.001 0.000 0.289 3 S C 0.803 175.405 174.600 0.004 0.000 1.143 3 S CA -0.678 57.523 58.200 0.003 0.000 1.067 3 S CB 1.243 64.445 63.200 0.003 0.000 0.964 3 S HN 0.468 nan 8.310 nan 0.000 0.485 4 V N 5.376 125.293 119.914 0.004 0.000 2.548 4 V HA -0.100 4.020 4.120 0.001 0.000 0.249 4 V C 2.606 178.703 176.094 0.006 0.000 1.055 4 V CA 1.982 64.285 62.300 0.005 0.000 1.065 4 V CB -0.864 30.962 31.823 0.005 0.000 0.681 4 V HN 0.996 nan 8.190 nan 0.000 0.462 5 S N 0.271 115.974 115.700 0.005 0.000 2.368 5 S HA -0.272 4.198 4.470 0.001 0.000 0.225 5 S C 1.801 176.404 174.600 0.006 0.000 1.030 5 S CA 1.733 59.937 58.200 0.006 0.000 0.999 5 S CB -0.486 62.717 63.200 0.005 0.000 0.844 5 S HN 0.700 nan 8.310 nan 0.000 0.459 6 E N 1.063 121.266 120.200 0.005 0.000 2.110 6 E HA -0.029 4.321 4.350 0.001 0.000 0.193 6 E C 2.053 178.657 176.600 0.007 0.000 0.988 6 E CA 1.369 57.773 56.400 0.006 0.000 0.804 6 E CB -0.363 29.340 29.700 0.005 0.000 0.745 6 E HN 0.593 nan 8.360 nan 0.000 0.458 7 I N 0.526 121.100 120.570 0.007 0.000 2.202 7 I HA -0.257 3.914 4.170 0.001 0.000 0.242 7 I C 2.614 178.737 176.117 0.010 0.000 1.091 7 I CA 0.900 62.205 61.300 0.008 0.000 1.368 7 I CB -0.119 37.886 38.000 0.007 0.000 1.058 7 I HN -0.014 nan 8.210 nan 0.000 0.410 8 R N 1.496 122.002 120.500 0.010 0.000 2.091 8 R HA -0.195 4.146 4.340 0.001 0.000 0.238 8 R C 2.309 178.616 176.300 0.011 0.000 1.136 8 R CA 1.586 57.693 56.100 0.011 0.000 0.959 8 R CB -0.340 29.966 30.300 0.009 0.000 0.856 8 R HN 0.082 nan 8.270 nan 0.000 0.437 9 K N -0.052 120.354 120.400 0.010 0.000 2.097 9 K HA -0.029 4.292 4.320 0.001 0.000 0.205 9 K C 1.679 178.285 176.600 0.011 0.000 1.050 9 K CA 1.568 57.861 56.287 0.009 0.000 0.938 9 K CB -0.208 32.297 32.500 0.008 0.000 0.718 9 K HN 0.268 nan 8.250 nan 0.000 0.442 10 A N 0.755 123.582 122.820 0.011 0.000 2.066 10 A HA -0.118 4.202 4.320 0.001 0.000 0.218 10 A C 2.007 179.601 177.584 0.017 0.000 1.157 10 A CA 1.151 53.196 52.037 0.013 0.000 0.670 10 A CB -0.271 18.735 19.000 0.011 0.000 0.804 10 A HN 0.502 nan 8.150 nan 0.000 0.453 11 Q N -0.110 119.701 119.800 0.018 0.000 2.354 11 Q HA -0.029 4.311 4.340 0.001 0.000 0.203 11 Q C 0.915 176.931 176.000 0.025 0.000 0.933 11 Q CA 0.019 55.836 55.803 0.024 0.000 0.901 11 Q CB 0.095 28.848 28.738 0.025 0.000 1.007 11 Q HN 0.797 nan 8.270 nan 0.000 0.495 12 R N -0.557 119.954 120.500 0.018 0.000 2.532 12 R HA 0.666 5.006 4.340 0.001 0.000 0.272 12 R C -0.602 175.706 176.300 0.012 0.000 1.032 12 R CA -0.149 55.959 56.100 0.013 0.000 1.089 12 R CB 0.909 31.214 30.300 0.008 0.000 1.098 12 R HN -0.049 nan 8.270 nan 0.000 0.526 13 A N 0.786 123.610 122.820 0.006 0.000 2.246 13 A HA 0.208 4.528 4.320 0.001 0.000 0.291 13 A C 0.522 178.109 177.584 0.006 0.000 1.103 13 A CA -0.499 51.542 52.037 0.007 0.000 0.844 13 A CB 0.537 19.536 19.000 -0.001 0.000 1.136 13 A HN 0.972 nan 8.150 nan 0.000 0.500 14 E N 0.001 120.206 120.200 0.009 0.000 2.228 14 E HA 0.268 4.619 4.350 0.001 0.000 0.197 14 E C 1.050 177.656 176.600 0.011 0.000 0.909 14 E CA 0.317 56.723 56.400 0.010 0.000 0.911 14 E CB -0.154 29.554 29.700 0.013 0.000 0.887 14 E HN 0.636 nan 8.360 nan 0.000 0.481 15 G N 2.215 111.022 108.800 0.011 0.000 2.557 15 G HA2 0.387 4.347 3.960 0.001 0.000 0.302 15 G HA3 0.387 4.347 3.960 0.001 0.000 0.302 15 G C -2.463 172.443 174.900 0.010 0.000 1.311 15 G CA -1.479 43.629 45.100 0.013 0.000 1.030 15 G HN -0.061 nan 8.290 nan 0.000 0.509 16 P HA 0.288 nan 4.420 nan 0.000 0.271 16 P C -0.074 177.227 177.300 0.002 0.000 1.216 16 P CA -0.013 63.097 63.100 0.016 0.000 0.771 16 P CB 0.964 32.684 31.700 0.034 0.000 0.864 17 A N 3.643 126.456 122.820 -0.012 0.000 2.546 17 A HA 0.303 4.623 4.320 0.001 0.000 0.243 17 A C 0.394 177.972 177.584 -0.011 0.000 1.063 17 A CA 0.676 52.694 52.037 -0.030 0.000 0.757 17 A CB -0.702 18.265 19.000 -0.057 0.000 0.991 17 A HN 0.540 nan 8.150 nan 0.000 0.503 18 T N 3.162 117.706 114.554 -0.015 0.000 2.841 18 T HA 0.483 4.833 4.350 0.001 0.000 0.283 18 T C -0.029 174.665 174.700 -0.009 0.000 1.000 18 T CA -0.212 61.891 62.100 0.004 0.000 0.977 18 T CB 0.988 69.859 68.868 0.004 0.000 0.979 18 T HN 0.465 nan 8.240 nan 0.000 0.446 19 I N 3.611 124.199 120.570 0.030 0.000 2.396 19 I HA 0.173 4.343 4.170 0.001 0.000 0.289 19 I C 0.763 176.876 176.117 -0.006 0.000 1.056 19 I CA -0.033 61.277 61.300 0.016 0.000 1.365 19 I CB 0.705 38.772 38.000 0.111 0.000 1.407 19 I HN 0.560 nan 8.210 nan 0.000 0.509 20 L N 6.668 127.860 121.223 -0.053 0.000 2.664 20 L HA 0.510 4.850 4.340 0.001 0.000 0.233 20 L C 0.486 177.363 176.870 0.011 0.000 1.113 20 L CA 0.009 54.842 54.840 -0.013 0.000 0.896 20 L CB 0.178 42.233 42.059 -0.008 0.000 1.163 20 L HN 0.727 nan 8.230 nan 0.000 0.497 21 A N 0.656 123.453 122.820 -0.038 0.000 2.583 21 A HA 0.722 5.042 4.320 0.001 0.000 0.298 21 A C -1.458 176.100 177.584 -0.044 0.000 1.055 21 A CA -0.351 51.678 52.037 -0.014 0.000 0.714 21 A CB 1.091 20.108 19.000 0.030 0.000 1.277 21 A HN 0.033 nan 8.150 nan 0.000 0.406 22 I N 1.021 121.568 120.570 -0.038 0.000 2.582 22 I HA 0.698 4.868 4.170 0.001 0.000 0.292 22 I C 0.385 176.446 176.117 -0.094 0.000 1.066 22 I CA -0.612 60.648 61.300 -0.067 0.000 1.053 22 I CB 2.692 40.665 38.000 -0.046 0.000 1.241 22 I HN 0.900 nan 8.210 nan 0.000 0.421 23 G N 2.582 111.301 108.800 -0.136 0.000 2.682 23 G HA2 0.728 4.689 3.960 0.001 0.000 0.300 23 G HA3 0.728 4.689 3.960 0.001 0.000 0.300 23 G C -0.942 173.803 174.900 -0.259 0.000 1.391 23 G CA -0.478 44.529 45.100 -0.155 0.000 0.990 23 G HN 0.596 nan 8.290 nan 0.000 0.501 24 T N -1.771 112.584 114.554 -0.332 0.000 2.907 24 T HA 0.920 5.270 4.350 0.001 0.000 0.290 24 T C -0.295 174.255 174.700 -0.249 0.000 1.066 24 T CA -0.390 61.406 62.100 -0.507 0.000 1.012 24 T CB 2.182 70.317 68.868 -1.222 0.000 1.184 24 T HN 2.013 nan 8.240 nan 0.000 0.522 25 A N 1.211 123.952 122.820 -0.131 0.000 2.604 25 A HA 0.816 5.136 4.320 0.001 0.000 0.295 25 A C -1.574 176.059 177.584 0.081 0.000 1.067 25 A CA -1.105 50.921 52.037 -0.017 0.000 0.683 25 A CB 1.274 20.266 19.000 -0.013 0.000 1.281 25 A HN 0.927 nan 8.150 nan 0.000 0.407 26 N N 0.286 119.000 118.700 0.024 0.000 2.416 26 N HA 0.712 5.453 4.740 0.001 0.000 0.276 26 N C -3.168 172.373 175.510 0.051 0.000 1.261 26 N CA -1.243 51.828 53.050 0.035 0.000 0.790 26 N CB 1.754 40.166 38.487 -0.125 0.000 1.554 26 N HN 0.398 nan 8.380 nan 0.000 0.481 27 P HA 0.072 nan 4.420 nan 0.000 0.268 27 P C -0.050 177.364 177.300 0.190 0.000 1.208 27 P CA -0.146 63.060 63.100 0.175 0.000 0.777 27 P CB 0.532 32.370 31.700 0.230 0.000 0.875 28 A N 2.164 125.069 122.820 0.142 0.000 2.067 28 A HA -0.114 4.206 4.320 0.001 0.000 0.219 28 A C 1.161 178.858 177.584 0.188 0.000 1.158 28 A CA 0.856 52.981 52.037 0.147 0.000 0.661 28 A CB -1.001 18.049 19.000 0.083 0.000 0.801 28 A HN 0.618 nan 8.150 nan 0.000 0.452 29 N N 0.194 118.983 118.700 0.149 0.000 2.399 29 N HA 0.131 4.871 4.740 0.001 0.000 0.259 29 N C -0.829 174.712 175.510 0.051 0.000 1.160 29 N CA -0.155 52.939 53.050 0.074 0.000 0.946 29 N CB 0.044 38.539 38.487 0.012 0.000 1.156 29 N HN 0.240 nan 8.380 nan 0.000 0.489 30 C N 5.189 124.475 119.300 -0.023 0.000 2.303 30 C HA 0.506 4.966 4.460 0.001 0.000 0.341 30 C C -0.289 174.551 174.990 -0.250 0.000 1.244 30 C CA -0.592 58.259 59.018 -0.278 0.000 1.765 30 C CB -1.130 26.479 27.740 -0.218 0.000 2.379 30 C HN 0.478 nan 8.230 nan 0.000 0.530 31 V N 8.074 127.806 119.914 -0.304 0.000 2.328 31 V HA 0.315 4.436 4.120 0.001 0.000 0.278 31 V C 0.197 176.164 176.094 -0.212 0.000 1.021 31 V CA -0.335 61.828 62.300 -0.228 0.000 0.838 31 V CB 0.953 32.648 31.823 -0.213 0.000 0.999 31 V HN 0.776 nan 8.190 nan 0.000 0.447 32 E N 3.016 123.136 120.200 -0.133 0.000 2.392 32 E HA 0.021 4.371 4.350 0.001 0.000 0.264 32 E C 0.664 177.239 176.600 -0.041 0.000 1.024 32 E CA -0.003 56.339 56.400 -0.096 0.000 0.903 32 E CB 1.408 31.078 29.700 -0.051 0.000 0.963 32 E HN 0.656 nan 8.360 nan 0.000 0.432 33 Q N 2.012 121.773 119.800 -0.066 0.000 2.187 33 Q HA -0.117 4.224 4.340 0.001 0.000 0.199 33 Q C 1.816 177.835 176.000 0.032 0.000 0.957 33 Q CA 1.577 57.362 55.803 -0.031 0.000 0.857 33 Q CB -0.003 28.679 28.738 -0.092 0.000 0.929 33 Q HN 0.596 nan 8.270 nan 0.000 0.453 34 S N -1.033 114.672 115.700 0.010 0.000 2.383 34 S HA -0.179 4.292 4.470 0.001 0.000 0.229 34 S C 1.845 176.482 174.600 0.061 0.000 1.030 34 S CA 1.598 59.809 58.200 0.018 0.000 1.002 34 S CB -0.990 62.212 63.200 0.003 0.000 0.829 34 S HN 0.545 nan 8.310 nan 0.000 0.467 35 T N -3.247 111.366 114.554 0.098 0.000 3.086 35 T HA 0.256 4.607 4.350 0.001 0.000 0.250 35 T C 1.222 176.071 174.700 0.249 0.000 1.074 35 T CA -0.216 61.968 62.100 0.140 0.000 0.988 35 T CB -0.492 68.443 68.868 0.112 0.000 0.988 35 T HN 0.339 nan 8.240 nan 0.000 0.530 36 Y N 3.273 123.657 120.300 0.140 0.000 2.200 36 Y HA 0.111 4.662 4.550 0.001 0.000 0.290 36 Y C -0.977 175.210 175.900 0.479 0.000 1.137 36 Y CA 0.719 58.989 58.100 0.284 0.000 1.163 36 Y CB -1.079 37.495 38.460 0.191 0.000 0.988 36 Y HN 0.212 nan 8.280 nan 0.000 0.518 37 P HA -0.157 nan 4.420 nan 0.000 0.215 37 P C 1.213 178.735 177.300 0.370 0.000 1.157 37 P CA 2.287 65.682 63.100 0.491 0.000 0.874 37 P CB 0.056 31.900 31.700 0.240 0.000 0.790 38 D N -1.778 118.761 120.400 0.231 0.000 2.117 38 D HA -0.147 4.494 4.640 0.001 0.000 0.197 38 D C 1.715 178.130 176.300 0.192 0.000 0.987 38 D CA 0.913 55.022 54.000 0.181 0.000 0.829 38 D CB -0.964 39.919 40.800 0.138 0.000 0.961 38 D HN 0.104 nan 8.370 nan 0.000 0.460 39 F N 0.356 120.350 119.950 0.073 0.000 2.075 39 F HA -0.267 4.260 4.527 0.001 0.000 0.297 39 F C 2.333 178.130 175.800 -0.005 0.000 1.113 39 F CA 1.296 59.315 58.000 0.031 0.000 1.218 39 F CB -0.577 38.450 39.000 0.044 0.000 0.984 39 F HN -0.028 nan 8.300 nan 0.000 0.472 40 Y N -0.452 119.735 120.300 -0.189 0.000 2.242 40 Y HA -0.203 4.347 4.550 0.001 0.000 0.291 40 Y C 1.874 177.598 175.900 -0.293 0.000 1.137 40 Y CA 1.721 59.630 58.100 -0.319 0.000 1.181 40 Y CB -0.794 37.394 38.460 -0.453 0.000 0.989 40 Y HN 0.093 nan 8.280 nan 0.000 0.527 41 F N 0.624 120.417 119.950 -0.262 0.000 2.325 41 F HA -0.024 4.504 4.527 0.001 0.000 0.299 41 F C 2.434 178.067 175.800 -0.280 0.000 1.090 41 F CA 1.560 59.375 58.000 -0.309 0.000 1.392 41 F CB -0.367 38.555 39.000 -0.131 0.000 1.053 41 F HN 0.016 nan 8.300 nan 0.000 0.521 42 K N 0.302 120.627 120.400 -0.125 0.000 2.044 42 K HA -0.129 4.191 4.320 0.001 0.000 0.204 42 K C 2.057 178.498 176.600 -0.265 0.000 1.049 42 K CA 1.198 57.392 56.287 -0.153 0.000 0.945 42 K CB -0.367 32.062 32.500 -0.118 0.000 0.724 42 K HN 0.167 nan 8.250 nan 0.000 0.440 43 I N 1.785 122.086 120.570 -0.449 0.000 2.676 43 I HA -0.146 4.025 4.170 0.001 0.000 0.259 43 I C 1.532 177.476 176.117 -0.287 0.000 1.194 43 I CA 1.438 62.486 61.300 -0.420 0.000 1.473 43 I CB -0.085 37.524 38.000 -0.651 0.000 1.096 43 I HN 0.380 nan 8.210 nan 0.000 0.443 44 T N -3.091 111.229 114.554 -0.389 0.000 3.163 44 T HA 0.191 4.542 4.350 0.001 0.000 0.252 44 T C 0.681 175.221 174.700 -0.267 0.000 1.056 44 T CA 0.038 61.919 62.100 -0.365 0.000 0.947 44 T CB -0.714 67.748 68.868 -0.677 0.000 1.016 44 T HN 0.306 nan 8.240 nan 0.000 0.554 45 N N 0.729 119.313 118.700 -0.193 0.000 2.727 45 N HA -0.144 4.596 4.740 0.001 0.000 0.249 45 N C 0.022 175.513 175.510 -0.031 0.000 1.048 45 N CA 0.965 53.968 53.050 -0.078 0.000 0.714 45 N CB -1.674 36.790 38.487 -0.038 0.000 0.959 45 N HN 0.488 nan 8.380 nan 0.000 0.544 46 S N -1.008 114.610 115.700 -0.137 0.000 2.741 46 S HA 0.132 4.602 4.470 0.001 0.000 0.247 46 S C 1.080 175.661 174.600 -0.031 0.000 1.050 46 S CA -0.643 57.435 58.200 -0.204 0.000 1.025 46 S CB 0.524 63.444 63.200 -0.466 0.000 0.897 46 S HN 0.317 nan 8.310 nan 0.000 0.508 47 E N 1.666 121.911 120.200 0.075 0.000 2.265 47 E HA -0.181 4.169 4.350 0.001 0.000 0.196 47 E C 1.678 178.321 176.600 0.072 0.000 0.996 47 E CA 0.998 57.460 56.400 0.102 0.000 0.832 47 E CB -0.183 29.569 29.700 0.087 0.000 0.756 47 E HN 0.761 nan 8.360 nan 0.000 0.491 48 H N 0.774 119.874 119.070 0.051 0.000 2.495 48 H HA 0.079 4.635 4.556 0.001 0.000 0.287 48 H C 0.376 175.730 175.328 0.044 0.000 1.033 48 H CA 0.445 56.513 56.048 0.032 0.000 1.307 48 H CB -0.232 29.540 29.762 0.017 0.000 1.401 48 H HN -0.077 nan 8.280 nan 0.000 0.555 49 K N 2.245 122.435 120.400 -0.350 0.000 2.278 49 K HA 0.099 4.419 4.320 0.001 0.000 0.237 49 K C 0.501 177.069 176.600 -0.054 0.000 1.229 49 K CA -0.101 56.086 56.287 -0.166 0.000 1.155 49 K CB 0.491 32.892 32.500 -0.164 0.000 1.590 49 K HN 0.136 nan 8.250 nan 0.000 0.290 50 T N 1.202 115.729 114.554 -0.046 0.000 2.674 50 T HA -0.155 4.196 4.350 0.001 0.000 0.265 50 T C 1.501 176.153 174.700 -0.079 0.000 1.039 50 T CA 1.277 63.337 62.100 -0.066 0.000 1.150 50 T CB 0.046 68.896 68.868 -0.030 0.000 0.864 50 T HN 0.515 nan 8.240 nan 0.000 0.427 51 E N 0.251 120.426 120.200 -0.041 0.000 2.150 51 E HA -0.069 4.281 4.350 0.001 0.000 0.193 51 E C 2.101 178.684 176.600 -0.029 0.000 0.985 51 E CA 0.581 56.961 56.400 -0.033 0.000 0.814 51 E CB -0.152 29.539 29.700 -0.014 0.000 0.752 51 E HN 0.193 nan 8.360 nan 0.000 0.466 52 L N 1.591 122.809 121.223 -0.008 0.000 2.056 52 L HA -0.143 4.197 4.340 0.001 0.000 0.207 52 L C 2.202 179.060 176.870 -0.020 0.000 1.078 52 L CA 1.758 56.634 54.840 0.061 0.000 0.749 52 L CB -0.277 41.874 42.059 0.152 0.000 0.901 52 L HN -0.111 nan 8.230 nan 0.000 0.433 53 K N -0.399 119.783 120.400 -0.364 0.000 2.063 53 K HA -0.225 4.095 4.320 0.001 0.000 0.208 53 K C 1.893 178.282 176.600 -0.351 0.000 1.048 53 K CA 1.903 57.623 56.287 -0.945 0.000 0.928 53 K CB -0.074 31.782 32.500 -1.073 0.000 0.713 53 K HN 0.471 nan 8.250 nan 0.000 0.442 54 E N 0.348 120.437 120.200 -0.186 0.000 2.110 54 E HA -0.186 4.165 4.350 0.001 0.000 0.193 54 E C 1.947 178.523 176.600 -0.040 0.000 0.988 54 E CA 1.308 57.651 56.400 -0.095 0.000 0.804 54 E CB 0.073 29.733 29.700 -0.067 0.000 0.745 54 E HN 0.287 nan 8.360 nan 0.000 0.458 55 K N 0.094 120.494 120.400 -0.000 0.000 2.097 55 K HA -0.145 4.176 4.320 0.001 0.000 0.206 55 K C 1.984 178.648 176.600 0.105 0.000 1.049 55 K CA 1.022 57.337 56.287 0.046 0.000 0.933 55 K CB -0.192 32.349 32.500 0.069 0.000 0.717 55 K HN 0.074 nan 8.250 nan 0.000 0.442 56 F N 2.401 122.342 119.950 -0.015 0.000 2.186 56 F HA -0.173 4.354 4.527 0.001 0.000 0.299 56 F C 2.550 178.355 175.800 0.009 0.000 1.090 56 F CA 1.361 59.389 58.000 0.047 0.000 1.307 56 F CB -0.264 38.866 39.000 0.217 0.000 1.019 56 F HN -0.038 nan 8.300 nan 0.000 0.489 57 Q N 0.748 120.522 119.800 -0.043 0.000 2.096 57 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 57 Q C 2.315 178.235 176.000 -0.134 0.000 0.982 57 Q CA 1.998 57.730 55.803 -0.118 0.000 0.850 57 Q CB -0.286 28.409 28.738 -0.072 0.000 0.901 57 Q HN 0.380 nan 8.270 nan 0.000 0.422 58 R N -0.919 119.527 120.500 -0.089 0.000 2.096 58 R HA -0.057 4.283 4.340 0.001 0.000 0.235 58 R C 2.426 178.663 176.300 -0.106 0.000 1.127 58 R CA 1.748 57.801 56.100 -0.078 0.000 0.968 58 R CB -0.255 30.018 30.300 -0.045 0.000 0.861 58 R HN 0.373 nan 8.270 nan 0.000 0.440 59 M N -0.410 119.113 119.600 -0.128 0.000 2.086 59 M HA -0.233 4.248 4.480 0.001 0.000 0.261 59 M C 2.474 178.631 176.300 -0.238 0.000 1.067 59 M CA 1.445 56.650 55.300 -0.159 0.000 1.116 59 M CB -0.339 32.181 32.600 -0.133 0.000 1.348 59 M HN 0.265 nan 8.290 nan 0.000 0.407 60 C N 0.499 119.574 119.300 -0.375 0.000 2.429 60 C HA -0.136 4.324 4.460 0.001 0.000 0.277 60 C C 2.228 177.109 174.990 -0.183 0.000 1.262 60 C CA 0.805 59.627 59.018 -0.326 0.000 1.733 60 C CB -1.030 26.478 27.740 -0.386 0.000 2.010 60 C HN 0.534 nan 8.230 nan 0.000 0.483 61 D N 0.627 120.938 120.400 -0.148 0.000 2.178 61 D HA -0.089 4.551 4.640 0.001 0.000 0.202 61 D C 1.985 178.233 176.300 -0.085 0.000 0.974 61 D CA 1.162 55.103 54.000 -0.097 0.000 0.841 61 D CB -0.290 40.463 40.800 -0.078 0.000 0.953 61 D HN 0.477 nan 8.370 nan 0.000 0.478 62 K N 0.131 120.476 120.400 -0.091 0.000 2.393 62 K HA 0.043 4.364 4.320 0.001 0.000 0.193 62 K C 1.918 178.471 176.600 -0.078 0.000 1.026 62 K CA 0.125 56.368 56.287 -0.074 0.000 1.064 62 K CB 0.348 32.808 32.500 -0.066 0.000 0.833 62 K HN 0.019 nan 8.250 nan 0.000 0.521 63 S N 0.759 116.400 115.700 -0.099 0.000 2.399 63 S HA -0.167 4.303 4.470 0.001 0.000 0.231 63 S C 1.144 175.699 174.600 -0.075 0.000 1.022 63 S CA 0.888 59.029 58.200 -0.098 0.000 0.983 63 S CB -0.211 62.913 63.200 -0.128 0.000 0.803 63 S HN 0.261 nan 8.310 nan 0.000 0.480 64 M N -0.746 118.814 119.600 -0.068 0.000 2.872 64 M HA -0.113 4.367 4.480 0.001 0.000 0.200 64 M C -0.616 175.651 176.300 -0.054 0.000 0.582 64 M CA 0.562 55.831 55.300 -0.053 0.000 0.706 64 M CB -2.644 29.933 32.600 -0.039 0.000 2.560 64 M HN 0.479 nan 8.290 nan 0.000 0.476 65 I N -0.034 120.493 120.570 -0.072 0.000 2.354 65 I HA 0.163 4.333 4.170 0.001 0.000 0.292 65 I C 1.384 177.446 176.117 -0.092 0.000 0.989 65 I CA -0.384 60.868 61.300 -0.080 0.000 1.188 65 I CB 1.615 39.557 38.000 -0.097 0.000 1.342 65 I HN 0.150 nan 8.210 nan 0.000 0.457 66 K N 5.550 125.893 120.400 -0.094 0.000 2.166 66 K HA 0.137 4.458 4.320 0.001 0.000 0.201 66 K C 0.269 176.788 176.600 -0.135 0.000 1.052 66 K CA 0.694 56.921 56.287 -0.099 0.000 0.969 66 K CB 0.343 32.790 32.500 -0.089 0.000 0.761 66 K HN 0.602 nan 8.250 nan 0.000 0.459 67 R N -0.158 120.235 120.500 -0.178 0.000 2.692 67 R HA 0.468 4.809 4.340 0.001 0.000 0.269 67 R C -1.342 174.782 176.300 -0.293 0.000 1.030 67 R CA -0.969 54.977 56.100 -0.256 0.000 0.882 67 R CB 1.519 31.633 30.300 -0.310 0.000 1.250 67 R HN -0.157 nan 8.270 nan 0.000 0.465 68 R N 0.537 120.821 120.500 -0.361 0.000 2.808 68 R HA 0.413 4.753 4.340 0.001 0.000 0.272 68 R C -1.481 174.570 176.300 -0.414 0.000 0.995 68 R CA -0.882 55.059 56.100 -0.266 0.000 0.917 68 R CB 2.120 32.328 30.300 -0.153 0.000 1.217 68 R HN 0.512 nan 8.270 nan 0.000 0.471 69 Y N 1.617 121.942 120.300 0.041 0.000 2.328 69 Y HA 0.460 5.010 4.550 0.001 0.000 0.337 69 Y C 0.219 176.163 175.900 0.073 0.000 1.008 69 Y CA -0.431 57.706 58.100 0.063 0.000 1.129 69 Y CB 1.478 40.011 38.460 0.123 0.000 1.185 69 Y HN 0.183 nan 8.280 nan 0.000 0.476 70 M N 3.063 122.757 119.600 0.157 0.000 2.395 70 M HA 0.199 4.679 4.480 0.001 0.000 0.307 70 M C 0.132 176.534 176.300 0.171 0.000 1.091 70 M CA -0.883 54.512 55.300 0.159 0.000 0.919 70 M CB 1.859 34.522 32.600 0.105 0.000 1.662 70 M HN 0.839 nan 8.290 nan 0.000 0.440 71 Y N 3.324 123.675 120.300 0.085 0.000 2.145 71 Y HA 0.068 4.619 4.550 0.001 0.000 0.286 71 Y C 0.323 176.247 175.900 0.039 0.000 1.145 71 Y CA 1.287 59.426 58.100 0.064 0.000 1.148 71 Y CB 0.228 38.724 38.460 0.060 0.000 0.981 71 Y HN 0.529 nan 8.280 nan 0.000 0.507 72 L N 2.623 123.914 121.223 0.113 0.000 2.499 72 L HA 0.104 4.444 4.340 0.001 0.000 0.273 72 L C 0.559 177.383 176.870 -0.077 0.000 1.195 72 L CA 0.447 55.263 54.840 -0.041 0.000 0.882 72 L CB 0.239 42.266 42.059 -0.052 0.000 1.133 72 L HN 0.313 nan 8.230 nan 0.000 0.483 73 T N -2.001 112.491 114.554 -0.104 0.000 2.910 73 T HA 0.225 4.575 4.350 0.001 0.000 0.287 73 T C 0.686 175.424 174.700 0.063 0.000 1.050 73 T CA -0.780 61.301 62.100 -0.032 0.000 1.011 73 T CB 1.842 70.665 68.868 -0.075 0.000 1.195 73 T HN 0.661 nan 8.240 nan 0.000 0.540 74 E N 0.178 120.472 120.200 0.157 0.000 2.077 74 E HA -0.229 4.121 4.350 0.001 0.000 0.193 74 E C 1.835 178.479 176.600 0.072 0.000 0.989 74 E CA 1.586 58.112 56.400 0.210 0.000 0.800 74 E CB -0.080 29.789 29.700 0.281 0.000 0.746 74 E HN 0.820 nan 8.360 nan 0.000 0.452 75 E N 0.317 120.539 120.200 0.035 0.000 2.051 75 E HA -0.209 4.141 4.350 0.001 0.000 0.192 75 E C 2.163 178.757 176.600 -0.009 0.000 0.991 75 E CA 1.525 57.930 56.400 0.007 0.000 0.799 75 E CB -0.143 29.553 29.700 -0.006 0.000 0.748 75 E HN 0.393 nan 8.360 nan 0.000 0.449 76 I N 0.853 121.403 120.570 -0.034 0.000 2.226 76 I HA -0.296 3.874 4.170 0.001 0.000 0.245 76 I C 2.448 178.552 176.117 -0.021 0.000 1.100 76 I CA 0.893 62.170 61.300 -0.038 0.000 1.374 76 I CB -0.206 37.741 38.000 -0.088 0.000 1.057 76 I HN 0.212 nan 8.210 nan 0.000 0.413 77 L N 0.386 121.589 121.223 -0.034 0.000 2.083 77 L HA -0.209 4.131 4.340 0.001 0.000 0.209 77 L C 2.485 179.344 176.870 -0.018 0.000 1.083 77 L CA 1.441 56.255 54.840 -0.044 0.000 0.752 77 L CB -0.521 41.488 42.059 -0.082 0.000 0.899 77 L HN 0.178 nan 8.230 nan 0.000 0.433 78 K N 0.020 120.412 120.400 -0.012 0.000 2.283 78 K HA -0.146 4.175 4.320 0.001 0.000 0.202 78 K C 1.675 178.273 176.600 -0.003 0.000 1.048 78 K CA 1.014 57.295 56.287 -0.010 0.000 0.948 78 K CB 0.002 32.499 32.500 -0.004 0.000 0.742 78 K HN 0.424 nan 8.250 nan 0.000 0.458 79 E N 0.328 120.529 120.200 0.001 0.000 2.481 79 E HA 0.004 4.354 4.350 0.001 0.000 0.195 79 E C 0.030 176.637 176.600 0.012 0.000 1.047 79 E CA 0.250 56.654 56.400 0.007 0.000 0.867 79 E CB 0.222 29.928 29.700 0.009 0.000 0.858 79 E HN 0.198 nan 8.360 nan 0.000 0.513 80 N N 1.141 119.849 118.700 0.014 0.000 2.791 80 N HA 0.093 4.833 4.740 0.001 0.000 0.265 80 N C -2.203 173.323 175.510 0.028 0.000 1.580 80 N CA -0.925 52.140 53.050 0.024 0.000 0.809 80 N CB 1.399 39.908 38.487 0.037 0.000 1.178 80 N HN 0.020 nan 8.380 nan 0.000 0.499 81 P HA -0.096 nan 4.420 nan 0.000 0.218 81 P C 0.890 178.204 177.300 0.023 0.000 1.148 81 P CA 1.191 64.299 63.100 0.014 0.000 0.822 81 P CB 0.530 32.232 31.700 0.003 0.000 0.784 82 N N -0.496 118.219 118.700 0.024 0.000 2.309 82 N HA -0.075 4.665 4.740 0.001 0.000 0.182 82 N C 1.695 177.229 175.510 0.039 0.000 1.018 82 N CA 0.612 53.674 53.050 0.021 0.000 0.876 82 N CB -0.979 37.516 38.487 0.014 0.000 0.972 82 N HN 0.019 nan 8.380 nan 0.000 0.434 83 V N -0.404 119.554 119.914 0.073 0.000 2.719 83 V HA -0.141 3.979 4.120 0.001 0.000 0.252 83 V C 1.951 178.179 176.094 0.224 0.000 1.065 83 V CA 0.933 63.319 62.300 0.143 0.000 1.086 83 V CB -0.312 31.606 31.823 0.158 0.000 0.700 83 V HN 0.365 nan 8.190 nan 0.000 0.467 84 C N -0.487 118.913 119.300 0.167 0.000 2.500 84 C HA 0.080 4.541 4.460 0.001 0.000 0.273 84 C C 1.275 176.273 174.990 0.013 0.000 1.428 84 C CA -0.436 58.676 59.018 0.157 0.000 1.766 84 C CB -1.069 26.712 27.740 0.068 0.000 1.817 84 C HN 0.540 nan 8.230 nan 0.000 0.543 85 E N -0.562 119.644 120.200 0.010 0.000 2.345 85 E HA 0.047 4.397 4.350 0.001 0.000 0.259 85 E C 0.367 176.964 176.600 -0.006 0.000 1.117 85 E CA -0.320 56.076 56.400 -0.007 0.000 0.913 85 E CB 0.460 30.162 29.700 0.003 0.000 1.057 85 E HN 0.402 nan 8.360 nan 0.000 0.432 86 Y N 1.618 121.867 120.300 -0.084 0.000 2.163 86 Y HA -0.093 4.458 4.550 0.001 0.000 0.288 86 Y C 0.880 176.740 175.900 -0.066 0.000 1.136 86 Y CA 1.369 59.416 58.100 -0.088 0.000 1.147 86 Y CB 0.347 38.763 38.460 -0.073 0.000 0.987 86 Y HN 0.384 nan 8.280 nan 0.000 0.509 87 M N 0.712 120.203 119.600 -0.181 0.000 1.962 87 M HA 0.580 5.061 4.480 0.001 0.000 0.227 87 M C -1.500 174.743 176.300 -0.096 0.000 0.890 87 M CA -0.401 54.745 55.300 -0.256 0.000 0.843 87 M CB 0.932 33.399 32.600 -0.222 0.000 1.894 87 M HN 0.176 nan 8.290 nan 0.000 0.359 88 A N 3.358 126.129 122.820 -0.082 0.000 2.413 88 A HA 1.035 5.355 4.320 0.001 0.000 0.307 88 A C -2.906 174.656 177.584 -0.037 0.000 1.087 88 A CA -1.657 50.357 52.037 -0.038 0.000 0.750 88 A CB 1.004 19.994 19.000 -0.016 0.000 1.296 88 A HN 0.462 nan 8.150 nan 0.000 0.423 89 P HA 0.080 nan 4.420 nan 0.000 0.258 89 P C 0.402 177.694 177.300 -0.013 0.000 1.187 89 P CA 0.903 63.990 63.100 -0.021 0.000 0.767 89 P CB 0.559 32.250 31.700 -0.015 0.000 0.770 90 S N 1.113 116.805 115.700 -0.014 0.000 2.631 90 S HA 0.016 4.486 4.470 0.001 0.000 0.248 90 S C 0.991 175.590 174.600 -0.001 0.000 0.949 90 S CA -0.333 57.867 58.200 -0.000 0.000 1.470 90 S CB -0.890 62.316 63.200 0.011 0.000 1.248 90 S HN 0.217 nan 8.310 nan 0.000 0.662 91 L N 2.960 124.174 121.223 -0.015 0.000 2.079 91 L HA 0.028 4.369 4.340 0.001 0.000 0.210 91 L C 1.597 178.458 176.870 -0.016 0.000 1.081 91 L CA 2.225 57.053 54.840 -0.020 0.000 0.752 91 L CB -0.679 41.361 42.059 -0.032 0.000 0.896 91 L HN 0.170 nan 8.230 nan 0.000 0.433 92 D N -0.112 120.280 120.400 -0.013 0.000 2.097 92 D HA -0.159 4.481 4.640 0.001 0.000 0.195 92 D C 2.236 178.536 176.300 -0.000 0.000 0.989 92 D CA 1.625 55.620 54.000 -0.010 0.000 0.827 92 D CB -0.352 40.444 40.800 -0.008 0.000 0.966 92 D HN 0.480 nan 8.370 nan 0.000 0.456 93 A N 0.917 123.743 122.820 0.009 0.000 1.902 93 A HA -0.204 4.117 4.320 0.001 0.000 0.217 93 A C 2.182 179.783 177.584 0.028 0.000 1.181 93 A CA 1.498 53.549 52.037 0.024 0.000 0.623 93 A CB -0.466 18.552 19.000 0.032 0.000 0.818 93 A HN 0.128 nan 8.150 nan 0.000 0.443 94 R N -0.812 119.701 120.500 0.022 0.000 2.081 94 R HA -0.106 4.234 4.340 0.001 0.000 0.235 94 R C 2.476 178.768 176.300 -0.013 0.000 1.131 94 R CA 1.402 57.513 56.100 0.018 0.000 0.960 94 R CB -0.289 30.022 30.300 0.019 0.000 0.856 94 R HN 0.561 nan 8.270 nan 0.000 0.436 95 Q N 0.648 120.435 119.800 -0.021 0.000 2.084 95 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 95 Q C 1.512 177.495 176.000 -0.029 0.000 0.978 95 Q CA 1.339 57.120 55.803 -0.036 0.000 0.844 95 Q CB -0.171 28.543 28.738 -0.040 0.000 0.898 95 Q HN 0.347 nan 8.270 nan 0.000 0.426 96 D N 0.193 120.587 120.400 -0.010 0.000 2.182 96 D HA -0.135 4.506 4.640 0.001 0.000 0.201 96 D C 1.918 178.218 176.300 -0.001 0.000 0.986 96 D CA 1.120 55.121 54.000 0.003 0.000 0.847 96 D CB -0.110 40.701 40.800 0.020 0.000 0.942 96 D HN 0.259 nan 8.370 nan 0.000 0.467 97 M N -0.043 119.547 119.600 -0.017 0.000 2.098 97 M HA -0.109 4.371 4.480 0.001 0.000 0.262 97 M C 2.358 178.520 176.300 -0.230 0.000 1.072 97 M CA 1.037 56.282 55.300 -0.091 0.000 1.133 97 M CB -0.139 32.401 32.600 -0.099 0.000 1.344 97 M HN -0.011 nan 8.290 nan 0.000 0.414 98 V N -3.454 116.350 119.914 -0.183 0.000 2.951 98 V HA -0.011 4.110 4.120 0.001 0.000 0.255 98 V C 1.962 178.008 176.094 -0.080 0.000 1.088 98 V CA 0.735 62.932 62.300 -0.172 0.000 1.109 98 V CB -0.904 30.850 31.823 -0.115 0.000 0.724 98 V HN 0.273 nan 8.190 nan 0.000 0.471 99 V N 0.209 120.096 119.914 -0.045 0.000 2.759 99 V HA -0.127 3.994 4.120 0.001 0.000 0.256 99 V C 2.453 178.551 176.094 0.007 0.000 1.080 99 V CA 1.979 64.279 62.300 -0.001 0.000 1.101 99 V CB 0.141 31.965 31.823 0.003 0.000 0.698 99 V HN 0.512 nan 8.190 nan 0.000 0.477 100 V N -0.619 119.286 119.914 -0.015 0.000 2.581 100 V HA -0.030 4.090 4.120 0.001 0.000 0.240 100 V C 2.354 178.439 176.094 -0.015 0.000 1.054 100 V CA 1.377 63.678 62.300 0.002 0.000 1.076 100 V CB -0.092 31.745 31.823 0.023 0.000 0.748 100 V HN 0.533 nan 8.190 nan 0.000 0.474 101 E N 0.677 120.826 120.200 -0.085 0.000 2.150 101 E HA -0.145 4.205 4.350 0.001 0.000 0.193 101 E C 2.001 178.573 176.600 -0.046 0.000 0.985 101 E CA 1.302 57.647 56.400 -0.092 0.000 0.814 101 E CB -0.277 29.220 29.700 -0.338 0.000 0.752 101 E HN 0.300 nan 8.360 nan 0.000 0.466 102 V N 1.687 121.574 119.914 -0.045 0.000 2.255 102 V HA -0.179 3.941 4.120 0.001 0.000 0.247 102 V C -0.830 175.266 176.094 0.004 0.000 1.051 102 V CA 2.400 64.694 62.300 -0.010 0.000 1.018 102 V CB -1.388 30.441 31.823 0.011 0.000 0.641 102 V HN 0.354 nan 8.190 nan 0.000 0.445 103 P HA -0.131 nan 4.420 nan 0.000 0.219 103 P C 1.629 178.933 177.300 0.006 0.000 1.150 103 P CA 1.287 64.391 63.100 0.006 0.000 0.814 103 P CB -0.129 31.580 31.700 0.014 0.000 0.787 104 R N -0.198 120.311 120.500 0.015 0.000 2.073 104 R HA -0.117 4.223 4.340 0.001 0.000 0.234 104 R C 2.187 178.502 176.300 0.025 0.000 1.134 104 R CA 1.229 57.343 56.100 0.024 0.000 0.952 104 R CB -0.968 29.358 30.300 0.044 0.000 0.850 104 R HN 0.080 nan 8.270 nan 0.000 0.433 105 L N 0.424 121.666 121.223 0.032 0.000 2.093 105 L HA 0.037 4.378 4.340 0.001 0.000 0.208 105 L C 2.162 179.043 176.870 0.019 0.000 1.085 105 L CA 2.127 56.989 54.840 0.037 0.000 0.755 105 L CB -0.812 41.279 42.059 0.053 0.000 0.904 105 L HN 0.303 nan 8.230 nan 0.000 0.435 106 G N -0.884 107.921 108.800 0.008 0.000 2.422 106 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 106 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 106 G C 1.705 176.596 174.900 -0.015 0.000 1.146 106 G CA 0.818 45.914 45.100 -0.007 0.000 0.769 106 G HN 0.415 nan 8.290 nan 0.000 0.547 107 K N 0.547 120.941 120.400 -0.010 0.000 2.057 107 K HA -0.103 4.217 4.320 0.001 0.000 0.207 107 K C 2.348 178.941 176.600 -0.013 0.000 1.049 107 K CA 1.471 57.749 56.287 -0.014 0.000 0.931 107 K CB -0.192 32.302 32.500 -0.011 0.000 0.714 107 K HN 0.412 nan 8.250 nan 0.000 0.440 108 E N 0.035 120.231 120.200 -0.007 0.000 2.051 108 E HA -0.198 4.153 4.350 0.001 0.000 0.192 108 E C 2.014 178.599 176.600 -0.026 0.000 0.991 108 E CA 1.156 57.550 56.400 -0.010 0.000 0.799 108 E CB -0.145 29.555 29.700 -0.001 0.000 0.748 108 E HN 0.432 nan 8.360 nan 0.000 0.449 109 A N 1.554 124.352 122.820 -0.036 0.000 1.902 109 A HA -0.111 4.209 4.320 0.001 0.000 0.217 109 A C 2.409 179.957 177.584 -0.059 0.000 1.181 109 A CA 1.708 53.705 52.037 -0.068 0.000 0.623 109 A CB -0.647 18.303 19.000 -0.083 0.000 0.818 109 A HN 0.293 nan 8.150 nan 0.000 0.443 110 A N -0.580 122.214 122.820 -0.044 0.000 1.902 110 A HA -0.018 4.303 4.320 0.001 0.000 0.217 110 A C 2.226 179.800 177.584 -0.017 0.000 1.181 110 A CA 1.786 53.800 52.037 -0.037 0.000 0.623 110 A CB -0.979 18.001 19.000 -0.034 0.000 0.818 110 A HN 0.395 nan 8.150 nan 0.000 0.443 111 V N 0.263 120.170 119.914 -0.011 0.000 2.332 111 V HA -0.302 3.818 4.120 0.001 0.000 0.248 111 V C 2.473 178.570 176.094 0.006 0.000 1.055 111 V CA 2.424 64.725 62.300 0.002 0.000 1.038 111 V CB -0.659 31.162 31.823 -0.003 0.000 0.651 111 V HN 0.564 nan 8.190 nan 0.000 0.450 112 K N 0.108 120.500 120.400 -0.013 0.000 2.057 112 K HA -0.115 4.205 4.320 0.001 0.000 0.207 112 K C 2.303 178.900 176.600 -0.005 0.000 1.049 112 K CA 1.464 57.741 56.287 -0.016 0.000 0.931 112 K CB -0.395 32.079 32.500 -0.043 0.000 0.714 112 K HN 0.482 nan 8.250 nan 0.000 0.440 113 A N 1.460 124.271 122.820 -0.015 0.000 1.898 113 A HA -0.119 4.201 4.320 0.001 0.000 0.216 113 A C 2.118 179.748 177.584 0.077 0.000 1.181 113 A CA 1.191 53.226 52.037 -0.003 0.000 0.620 113 A CB -0.534 18.435 19.000 -0.052 0.000 0.819 113 A HN 0.162 nan 8.150 nan 0.000 0.442 114 I N -0.518 120.110 120.570 0.098 0.000 2.226 114 I HA -0.253 3.917 4.170 0.001 0.000 0.245 114 I C 2.496 178.727 176.117 0.190 0.000 1.100 114 I CA 1.802 63.236 61.300 0.223 0.000 1.374 114 I CB -0.211 37.896 38.000 0.178 0.000 1.057 114 I HN 0.368 nan 8.210 nan 0.000 0.413 115 K N 1.213 121.669 120.400 0.094 0.000 2.026 115 K HA -0.270 4.050 4.320 0.001 0.000 0.208 115 K C 2.135 178.771 176.600 0.060 0.000 1.048 115 K CA 1.831 58.150 56.287 0.053 0.000 0.929 115 K CB -0.111 32.403 32.500 0.024 0.000 0.713 115 K HN 0.299 nan 8.250 nan 0.000 0.439 116 E N -0.391 119.855 120.200 0.076 0.000 2.058 116 E HA -0.242 4.108 4.350 0.001 0.000 0.194 116 E C 1.802 178.484 176.600 0.137 0.000 0.997 116 E CA 1.433 57.878 56.400 0.075 0.000 0.801 116 E CB -0.313 29.419 29.700 0.054 0.000 0.746 116 E HN 0.497 nan 8.360 nan 0.000 0.450 117 W N 0.699 121.980 121.300 -0.032 0.000 2.335 117 W HA -0.142 4.519 4.660 0.001 0.000 0.311 117 W C 1.589 178.094 176.519 -0.024 0.000 1.213 117 W CA 2.910 60.239 57.345 -0.027 0.000 1.274 117 W CB -0.598 28.848 29.460 -0.024 0.000 1.148 117 W HN 0.384 nan 8.180 nan 0.000 0.498 118 G N -0.782 107.978 108.800 -0.067 0.000 2.176 118 G HA2 -0.236 3.724 3.960 0.001 0.000 0.253 118 G HA3 -0.236 3.724 3.960 0.001 0.000 0.253 118 G C 0.294 174.943 174.900 -0.418 0.000 0.979 118 G CA 0.418 45.392 45.100 -0.210 0.000 0.641 118 G HN 0.383 nan 8.290 nan 0.000 0.530 119 Q N 0.311 119.595 119.800 -0.860 0.000 2.215 119 Q HA 0.573 4.913 4.340 0.001 0.000 0.256 119 Q C -2.474 173.153 176.000 -0.621 0.000 0.972 119 Q CA -2.168 53.055 55.803 -0.966 0.000 0.889 119 Q CB 0.507 28.200 28.738 -1.742 0.000 1.281 119 Q HN 0.177 nan 8.270 nan 0.000 0.456 120 P HA -0.044 nan 4.420 nan 0.000 0.264 120 P C 0.399 177.697 177.300 -0.003 0.000 1.183 120 P CA 0.240 63.257 63.100 -0.138 0.000 0.763 120 P CB 0.414 32.060 31.700 -0.090 0.000 0.807 121 K N 1.067 121.509 120.400 0.070 0.000 2.362 121 K HA -0.098 4.223 4.320 0.001 0.000 0.200 121 K C 1.401 178.066 176.600 0.107 0.000 1.046 121 K CA 1.470 57.849 56.287 0.154 0.000 0.952 121 K CB -0.456 32.097 32.500 0.088 0.000 0.753 121 K HN 0.387 nan 8.250 nan 0.000 0.466 122 S N 0.890 116.624 115.700 0.057 0.000 2.474 122 S HA -0.009 4.461 4.470 0.001 0.000 0.235 122 S C 1.546 176.203 174.600 0.096 0.000 0.997 122 S CA 0.364 58.589 58.200 0.040 0.000 0.949 122 S CB -0.031 63.187 63.200 0.031 0.000 0.766 122 S HN 0.227 nan 8.310 nan 0.000 0.517 123 K N 0.736 121.230 120.400 0.157 0.000 2.444 123 K HA 0.313 4.634 4.320 0.001 0.000 0.193 123 K C 0.184 176.954 176.600 0.284 0.000 1.024 123 K CA -0.029 56.395 56.287 0.228 0.000 1.077 123 K CB -0.117 32.529 32.500 0.243 0.000 0.833 123 K HN 0.515 nan 8.250 nan 0.000 0.517 124 I N 2.355 123.063 120.570 0.231 0.000 2.505 124 I HA -0.075 4.096 4.170 0.001 0.000 0.287 124 I C 1.594 177.762 176.117 0.085 0.000 1.104 124 I CA 0.154 61.526 61.300 0.121 0.000 1.387 124 I CB 1.083 39.117 38.000 0.056 0.000 1.404 124 I HN 0.096 nan 8.210 nan 0.000 0.528 125 T N 1.728 116.355 114.554 0.121 0.000 3.023 125 T HA 0.164 4.514 4.350 0.001 0.000 0.249 125 T C 0.648 175.301 174.700 -0.078 0.000 1.050 125 T CA 0.356 62.507 62.100 0.085 0.000 1.088 125 T CB 0.109 69.093 68.868 0.194 0.000 0.946 125 T HN 0.479 nan 8.240 nan 0.000 0.480 126 H N -0.008 119.095 119.070 0.055 0.000 2.806 126 H HA 0.659 5.215 4.556 0.001 0.000 0.367 126 H C -1.770 173.592 175.328 0.057 0.000 1.136 126 H CA -1.012 55.099 56.048 0.104 0.000 1.178 126 H CB 2.593 32.409 29.762 0.090 0.000 1.718 126 H HN 0.107 nan 8.280 nan 0.000 0.540 127 L N 3.633 124.984 121.223 0.215 0.000 2.409 127 L HA 0.492 4.833 4.340 0.001 0.000 0.272 127 L C -1.483 175.491 176.870 0.173 0.000 0.980 127 L CA -0.378 54.530 54.840 0.113 0.000 0.826 127 L CB 1.225 43.306 42.059 0.037 0.000 1.268 127 L HN 0.519 nan 8.230 nan 0.000 0.407 128 I N 5.785 126.404 120.570 0.081 0.000 2.362 128 I HA 0.516 4.686 4.170 0.001 0.000 0.289 128 I C -0.780 175.333 176.117 -0.007 0.000 0.994 128 I CA -0.819 60.520 61.300 0.065 0.000 1.158 128 I CB 1.845 39.836 38.000 -0.016 0.000 1.315 128 I HN 0.300 nan 8.210 nan 0.000 0.451 129 V N 5.580 125.475 119.914 -0.032 0.000 2.555 129 V HA 0.426 4.546 4.120 0.001 0.000 0.302 129 V C -0.564 175.456 176.094 -0.123 0.000 1.038 129 V CA -0.582 61.668 62.300 -0.083 0.000 0.887 129 V CB 1.980 33.739 31.823 -0.107 0.000 0.991 129 V HN 0.885 nan 8.190 nan 0.000 0.434 130 C N 3.938 123.174 119.300 -0.107 0.000 2.482 130 C HA 0.883 5.344 4.460 0.001 0.000 0.317 130 C C -0.224 174.715 174.990 -0.085 0.000 1.197 130 C CA 0.078 59.031 59.018 -0.109 0.000 1.432 130 C CB 0.876 28.564 27.740 -0.086 0.000 2.062 130 C HN 1.076 nan 8.230 nan 0.000 0.471 131 T N 2.646 117.160 114.554 -0.066 0.000 2.885 131 T HA 0.486 4.836 4.350 0.001 0.000 0.322 131 T C 0.272 174.996 174.700 0.038 0.000 1.387 131 T CA -0.113 61.984 62.100 -0.004 0.000 1.041 131 T CB 1.673 70.567 68.868 0.043 0.000 1.287 131 T HN 0.658 nan 8.240 nan 0.000 0.491 132 T N 2.014 116.572 114.554 0.006 0.000 3.092 132 T HA 0.228 4.579 4.350 0.001 0.000 0.258 132 T C 0.323 175.027 174.700 0.007 0.000 1.031 132 T CA -0.113 61.989 62.100 0.003 0.000 0.925 132 T CB 0.004 68.850 68.868 -0.037 0.000 1.036 132 T HN 0.632 nan 8.240 nan 0.000 0.544 133 S N 1.435 117.150 115.700 0.026 0.000 2.528 133 S HA 0.673 5.144 4.470 0.001 0.000 0.303 133 S C 0.551 175.158 174.600 0.012 0.000 1.123 133 S CA -0.632 57.572 58.200 0.005 0.000 1.138 133 S CB 0.804 64.001 63.200 -0.006 0.000 0.984 133 S HN 0.621 nan 8.310 nan 0.000 0.474 134 G N 1.247 110.026 108.800 -0.034 0.000 2.787 134 G HA2 0.133 4.093 3.960 0.001 0.000 0.685 134 G HA3 0.133 4.093 3.960 0.001 0.000 0.685 134 G C -0.537 174.237 174.900 -0.209 0.000 1.437 134 G CA -0.443 44.604 45.100 -0.088 0.000 0.872 134 G HN 2.096 nan 8.290 nan 0.000 0.566 135 V N -2.346 117.345 119.914 -0.372 0.000 3.114 135 V HA 0.997 5.118 4.120 0.001 0.000 0.308 135 V C -0.545 175.310 176.094 -0.399 0.000 1.168 135 V CA -0.016 61.771 62.300 -0.855 0.000 1.015 135 V CB 2.221 33.489 31.823 -0.925 0.000 1.050 135 V HN 1.583 nan 8.190 nan 0.000 0.433 136 D N 1.458 121.679 120.400 -0.299 0.000 2.653 136 D HA 0.620 5.260 4.640 0.001 0.000 0.258 136 D C -1.400 174.906 176.300 0.009 0.000 1.252 136 D CA -0.421 53.535 54.000 -0.075 0.000 0.777 136 D CB 2.213 43.016 40.800 0.006 0.000 1.339 136 D HN 0.843 nan 8.370 nan 0.000 0.422 137 M N 1.934 121.526 119.600 -0.014 0.000 2.259 137 M HA 0.469 4.949 4.480 0.001 0.000 0.304 137 M C -2.195 174.058 176.300 -0.077 0.000 1.019 137 M CA -1.553 53.734 55.300 -0.022 0.000 0.922 137 M CB 1.956 34.536 32.600 -0.034 0.000 1.600 137 M HN 0.249 nan 8.290 nan 0.000 0.433 138 P HA 0.140 nan 4.420 nan 0.000 0.269 138 P C 0.027 177.350 177.300 0.039 0.000 1.211 138 P CA -0.181 62.828 63.100 -0.152 0.000 0.781 138 P CB 0.356 31.731 31.700 -0.542 0.000 0.877 139 G N -0.197 108.678 108.800 0.126 0.000 2.525 139 G HA2 0.393 4.354 3.960 0.001 0.000 0.287 139 G HA3 0.393 4.354 3.960 0.001 0.000 0.287 139 G C 0.934 175.944 174.900 0.183 0.000 1.350 139 G CA -0.145 45.094 45.100 0.231 0.000 1.039 139 G HN 0.521 nan 8.290 nan 0.000 0.513 140 A N -0.442 122.460 122.820 0.136 0.000 2.070 140 A HA -0.054 4.266 4.320 0.001 0.000 0.220 140 A C 1.983 179.575 177.584 0.013 0.000 1.159 140 A CA 2.141 54.217 52.037 0.065 0.000 0.656 140 A CB -0.494 18.522 19.000 0.026 0.000 0.800 140 A HN 0.707 nan 8.150 nan 0.000 0.453 141 D N -1.159 119.232 120.400 -0.014 0.000 2.117 141 D HA -0.252 4.388 4.640 0.001 0.000 0.198 141 D C 1.825 178.146 176.300 0.035 0.000 0.982 141 D CA 1.616 55.609 54.000 -0.012 0.000 0.828 141 D CB -0.855 39.924 40.800 -0.034 0.000 0.967 141 D HN 0.571 nan 8.370 nan 0.000 0.464 142 Y N 1.581 121.861 120.300 -0.033 0.000 2.145 142 Y HA -0.194 4.357 4.550 0.001 0.000 0.286 142 Y C 2.518 178.407 175.900 -0.018 0.000 1.145 142 Y CA 1.926 60.012 58.100 -0.024 0.000 1.148 142 Y CB -0.197 38.257 38.460 -0.011 0.000 0.981 142 Y HN -0.168 nan 8.280 nan 0.000 0.507 143 Q N 0.487 120.329 119.800 0.070 0.000 2.096 143 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 143 Q C 2.440 178.373 176.000 -0.113 0.000 0.982 143 Q CA 1.869 57.647 55.803 -0.042 0.000 0.850 143 Q CB -0.704 28.072 28.738 0.062 0.000 0.901 143 Q HN 0.571 nan 8.270 nan 0.000 0.422 144 L N 0.269 121.448 121.223 -0.073 0.000 2.141 144 L HA -0.131 4.209 4.340 0.001 0.000 0.209 144 L C 2.389 179.193 176.870 -0.110 0.000 1.094 144 L CA 1.099 55.894 54.840 -0.075 0.000 0.763 144 L CB -0.477 41.551 42.059 -0.051 0.000 0.908 144 L HN 0.196 nan 8.230 nan 0.000 0.437 145 T N -0.554 113.910 114.554 -0.150 0.000 2.720 145 T HA -0.263 4.087 4.350 0.001 0.000 0.268 145 T C 1.907 176.481 174.700 -0.210 0.000 1.037 145 T CA 1.605 63.601 62.100 -0.173 0.000 1.144 145 T CB -0.074 68.680 68.868 -0.189 0.000 0.864 145 T HN 0.266 nan 8.240 nan 0.000 0.444 146 K N 0.705 120.920 120.400 -0.308 0.000 2.001 146 K HA 0.009 4.330 4.320 0.001 0.000 0.208 146 K C 2.312 178.821 176.600 -0.153 0.000 1.048 146 K CA 1.044 57.168 56.287 -0.272 0.000 0.932 146 K CB -0.313 31.954 32.500 -0.389 0.000 0.715 146 K HN 0.263 nan 8.250 nan 0.000 0.437 147 L N 0.958 122.107 121.223 -0.124 0.000 2.042 147 L HA -0.195 4.145 4.340 0.001 0.000 0.210 147 L C 2.315 179.149 176.870 -0.060 0.000 1.076 147 L CA 1.150 55.947 54.840 -0.072 0.000 0.749 147 L CB -0.284 41.745 42.059 -0.051 0.000 0.893 147 L HN 0.253 nan 8.230 nan 0.000 0.432 148 L N -0.645 120.539 121.223 -0.066 0.000 2.509 148 L HA 0.126 4.466 4.340 0.001 0.000 0.222 148 L C 1.255 178.094 176.870 -0.052 0.000 1.123 148 L CA 0.408 55.219 54.840 -0.048 0.000 0.856 148 L CB -0.410 41.623 42.059 -0.044 0.000 0.985 148 L HN 0.468 nan 8.230 nan 0.000 0.456 149 G N 1.258 110.014 108.800 -0.074 0.000 2.272 149 G HA2 -0.263 3.697 3.960 0.001 0.000 0.280 149 G HA3 -0.263 3.697 3.960 0.001 0.000 0.280 149 G C 0.139 174.989 174.900 -0.083 0.000 1.067 149 G CA -0.106 44.949 45.100 -0.076 0.000 0.902 149 G HN 0.207 nan 8.290 nan 0.000 0.500 150 L N -0.456 120.706 121.223 -0.102 0.000 2.476 150 L HA 0.422 4.762 4.340 0.001 0.000 0.255 150 L C 1.508 178.264 176.870 -0.189 0.000 1.218 150 L CA -0.960 53.809 54.840 -0.118 0.000 0.819 150 L CB 0.252 42.244 42.059 -0.111 0.000 1.119 150 L HN 0.141 nan 8.230 nan 0.000 0.485 151 R N 1.806 122.133 120.500 -0.288 0.000 2.643 151 R HA 0.068 4.409 4.340 0.001 0.000 0.270 151 R C -1.514 174.500 176.300 -0.476 0.000 1.061 151 R CA -1.447 54.335 56.100 -0.529 0.000 1.107 151 R CB 0.049 29.684 30.300 -1.108 0.000 0.999 151 R HN 0.391 nan 8.270 nan 0.000 0.460 152 P HA -0.112 nan 4.420 nan 0.000 0.222 152 P C 0.459 177.711 177.300 -0.080 0.000 1.147 152 P CA 1.350 64.361 63.100 -0.148 0.000 0.790 152 P CB -0.072 31.612 31.700 -0.026 0.000 0.780 153 Y N -2.138 118.149 120.300 -0.021 0.000 2.493 153 Y HA 0.403 4.953 4.550 0.001 0.000 0.275 153 Y C 0.804 176.670 175.900 -0.056 0.000 1.183 153 Y CA -1.370 56.710 58.100 -0.034 0.000 1.258 153 Y CB -1.183 37.260 38.460 -0.028 0.000 1.108 153 Y HN -0.322 nan 8.280 nan 0.000 0.521 154 V N 2.754 122.588 119.914 -0.133 0.000 2.673 154 V HA 0.011 4.132 4.120 0.001 0.000 0.303 154 V C 0.089 176.141 176.094 -0.070 0.000 1.046 154 V CA -0.527 61.717 62.300 -0.094 0.000 1.126 154 V CB 0.537 32.292 31.823 -0.113 0.000 0.934 154 V HN 0.452 nan 8.190 nan 0.000 0.487 155 K N 6.993 127.319 120.400 -0.124 0.000 2.285 155 K HA 0.438 4.758 4.320 0.001 0.000 0.286 155 K C -0.329 176.230 176.600 -0.069 0.000 1.072 155 K CA -0.096 56.107 56.287 -0.140 0.000 0.913 155 K CB 0.787 33.147 32.500 -0.234 0.000 1.067 155 K HN 0.635 nan 8.250 nan 0.000 0.479 156 R N 2.243 122.612 120.500 -0.220 0.000 2.604 156 R HA 0.358 4.699 4.340 0.001 0.000 0.287 156 R C -0.992 175.001 176.300 -0.512 0.000 0.970 156 R CA -0.774 55.221 56.100 -0.174 0.000 0.946 156 R CB 1.033 31.274 30.300 -0.099 0.000 1.127 156 R HN 0.451 nan 8.270 nan 0.000 0.473 157 Y N 1.752 122.042 120.300 -0.016 0.000 2.402 157 Y HA 0.280 4.830 4.550 0.001 0.000 0.325 157 Y C -0.362 175.495 175.900 -0.072 0.000 1.009 157 Y CA -0.845 57.240 58.100 -0.025 0.000 1.278 157 Y CB 1.647 40.100 38.460 -0.011 0.000 1.105 157 Y HN 0.364 nan 8.280 nan 0.000 0.476 158 M N 5.217 124.795 119.600 -0.036 0.000 2.069 158 M HA 0.466 4.947 4.480 0.001 0.000 0.349 158 M C -1.536 174.661 176.300 -0.172 0.000 1.194 158 M CA -0.588 54.611 55.300 -0.167 0.000 1.081 158 M CB 0.363 32.839 32.600 -0.207 0.000 1.500 158 M HN 0.358 nan 8.290 nan 0.000 0.438 159 M N 6.276 125.766 119.600 -0.183 0.000 2.111 159 M HA 0.287 4.767 4.480 0.001 0.000 0.351 159 M C -1.403 174.817 176.300 -0.133 0.000 1.214 159 M CA 0.019 55.260 55.300 -0.099 0.000 1.120 159 M CB -0.898 31.672 32.600 -0.051 0.000 1.443 159 M HN 0.580 nan 8.290 nan 0.000 0.429 160 Y N 0.966 121.261 120.300 -0.008 0.000 2.457 160 Y HA 0.256 4.806 4.550 0.001 0.000 0.333 160 Y C 1.044 176.925 175.900 -0.032 0.000 1.119 160 Y CA -0.688 57.399 58.100 -0.022 0.000 1.143 160 Y CB 1.363 39.815 38.460 -0.014 0.000 1.230 160 Y HN 0.643 nan 8.280 nan 0.000 0.469 161 Q N 1.108 121.014 119.800 0.176 0.000 2.457 161 Q HA -0.264 4.077 4.340 0.001 0.000 0.283 161 Q C 0.578 176.579 176.000 0.001 0.000 1.234 161 Q CA 0.634 56.468 55.803 0.051 0.000 0.877 161 Q CB -0.675 28.082 28.738 0.031 0.000 1.250 161 Q HN 0.722 nan 8.270 nan 0.000 0.481 162 Q N -1.078 118.687 119.800 -0.059 0.000 2.062 162 Q HA 0.232 4.572 4.340 0.001 0.000 0.196 162 Q C 1.278 177.027 176.000 -0.419 0.000 0.967 162 Q CA 1.474 57.161 55.803 -0.194 0.000 0.832 162 Q CB 0.097 28.695 28.738 -0.233 0.000 0.899 162 Q HN 0.688 nan 8.270 nan 0.000 0.442 163 G N -0.451 108.150 108.800 -0.332 0.000 2.655 163 G HA2 -0.091 3.870 3.960 0.001 0.000 0.680 163 G HA3 -0.091 3.870 3.960 0.001 0.000 0.680 163 G C 0.324 174.917 174.900 -0.511 0.000 1.302 163 G CA 0.010 44.911 45.100 -0.331 0.000 0.872 163 G HN 0.347 nan 8.290 nan 0.000 0.540 164 A N -0.675 121.925 122.820 -0.367 0.000 2.168 164 A HA 0.370 4.690 4.320 0.001 0.000 0.215 164 A C 1.921 179.208 177.584 -0.494 0.000 1.152 164 A CA 2.265 54.044 52.037 -0.429 0.000 0.716 164 A CB -0.650 18.135 19.000 -0.358 0.000 0.794 164 A HN 1.745 nan 8.150 nan 0.000 0.465 165 F N -1.825 118.008 119.950 -0.195 0.000 2.780 165 F HA 0.438 4.966 4.527 0.001 0.000 0.299 165 F C 1.756 177.473 175.800 -0.138 0.000 1.146 165 F CA 0.004 57.905 58.000 -0.166 0.000 1.428 165 F CB -0.702 38.268 39.000 -0.049 0.000 1.115 165 F HN 0.104 nan 8.300 nan 0.000 0.583 166 A N 1.093 123.684 122.820 -0.382 0.000 2.239 166 A HA 0.255 4.575 4.320 0.001 0.000 0.209 166 A C 2.355 179.879 177.584 -0.100 0.000 1.171 166 A CA 0.802 52.716 52.037 -0.205 0.000 0.768 166 A CB -1.526 17.268 19.000 -0.344 0.000 0.790 166 A HN 0.500 nan 8.150 nan 0.000 0.478 167 G N -0.121 108.618 108.800 -0.102 0.000 2.408 167 G HA2 0.045 4.005 3.960 0.001 0.000 0.217 167 G HA3 0.045 4.005 3.960 0.001 0.000 0.217 167 G C 1.420 176.292 174.900 -0.046 0.000 1.150 167 G CA 1.066 46.130 45.100 -0.060 0.000 0.776 167 G HN 0.586 nan 8.290 nan 0.000 0.542 168 G N 0.352 109.135 108.800 -0.027 0.000 2.394 168 G HA2 -0.096 3.864 3.960 0.001 0.000 0.215 168 G HA3 -0.096 3.864 3.960 0.001 0.000 0.215 168 G C 1.836 176.727 174.900 -0.015 0.000 1.165 168 G CA 1.648 46.730 45.100 -0.030 0.000 0.784 168 G HN 0.361 nan 8.290 nan 0.000 0.535 169 T N 1.403 115.988 114.554 0.051 0.000 2.720 169 T HA -0.176 4.175 4.350 0.001 0.000 0.268 169 T C 2.685 177.369 174.700 -0.025 0.000 1.037 169 T CA 1.894 64.020 62.100 0.044 0.000 1.144 169 T CB -0.534 68.412 68.868 0.130 0.000 0.864 169 T HN 0.340 nan 8.240 nan 0.000 0.444 170 V N 0.279 120.167 119.914 -0.043 0.000 2.515 170 V HA -0.034 4.087 4.120 0.001 0.000 0.250 170 V C 2.288 178.326 176.094 -0.092 0.000 1.058 170 V CA 1.295 63.553 62.300 -0.071 0.000 1.064 170 V CB -1.197 30.585 31.823 -0.069 0.000 0.675 170 V HN 0.411 nan 8.190 nan 0.000 0.461 171 L N 0.048 121.220 121.223 -0.085 0.000 2.027 171 L HA -0.108 4.232 4.340 0.001 0.000 0.206 171 L C 3.011 179.814 176.870 -0.112 0.000 1.074 171 L CA 2.313 57.095 54.840 -0.096 0.000 0.745 171 L CB -0.623 41.382 42.059 -0.090 0.000 0.898 171 L HN 0.314 nan 8.230 nan 0.000 0.433 172 R N 0.229 120.662 120.500 -0.112 0.000 2.091 172 R HA -0.236 4.105 4.340 0.001 0.000 0.238 172 R C 2.289 178.504 176.300 -0.141 0.000 1.136 172 R CA 1.698 57.719 56.100 -0.133 0.000 0.959 172 R CB -0.272 29.951 30.300 -0.127 0.000 0.856 172 R HN 0.207 nan 8.270 nan 0.000 0.437 173 L N 0.402 121.543 121.223 -0.138 0.000 2.023 173 L HA 0.070 4.410 4.340 0.001 0.000 0.205 173 L C 2.280 179.010 176.870 -0.233 0.000 1.073 173 L CA 2.161 56.892 54.840 -0.181 0.000 0.745 173 L CB -0.836 41.117 42.059 -0.176 0.000 0.900 173 L HN 0.233 nan 8.230 nan 0.000 0.435 174 A N -0.424 122.269 122.820 -0.212 0.000 1.978 174 A HA -0.276 4.045 4.320 0.001 0.000 0.220 174 A C 2.439 179.904 177.584 -0.199 0.000 1.170 174 A CA 1.972 53.874 52.037 -0.224 0.000 0.636 174 A CB -0.701 18.195 19.000 -0.173 0.000 0.810 174 A HN 0.555 nan 8.150 nan 0.000 0.448 175 K N -0.482 119.824 120.400 -0.158 0.000 2.032 175 K HA -0.226 4.094 4.320 0.001 0.000 0.209 175 K C 1.220 177.736 176.600 -0.139 0.000 1.048 175 K CA 1.866 58.075 56.287 -0.129 0.000 0.927 175 K CB -0.220 32.215 32.500 -0.110 0.000 0.712 175 K HN 0.367 nan 8.250 nan 0.000 0.441 176 D N 0.678 120.984 120.400 -0.157 0.000 2.149 176 D HA -0.090 4.551 4.640 0.001 0.000 0.201 176 D C 2.012 178.205 176.300 -0.178 0.000 0.972 176 D CA 0.790 54.703 54.000 -0.144 0.000 0.835 176 D CB -0.015 40.705 40.800 -0.132 0.000 0.966 176 D HN 0.242 nan 8.370 nan 0.000 0.476 177 L N 0.558 121.620 121.223 -0.269 0.000 2.027 177 L HA -0.113 4.227 4.340 0.001 0.000 0.206 177 L C 2.524 179.168 176.870 -0.376 0.000 1.074 177 L CA 1.201 55.802 54.840 -0.399 0.000 0.745 177 L CB -0.470 41.222 42.059 -0.612 0.000 0.898 177 L HN -0.026 nan 8.230 nan 0.000 0.433 178 A N -0.121 122.528 122.820 -0.285 0.000 1.898 178 A HA -0.177 4.143 4.320 0.001 0.000 0.216 178 A C 2.143 179.657 177.584 -0.118 0.000 1.181 178 A CA 1.405 53.325 52.037 -0.195 0.000 0.620 178 A CB -0.350 18.560 19.000 -0.150 0.000 0.819 178 A HN 0.426 nan 8.150 nan 0.000 0.442 179 E N -0.846 119.293 120.200 -0.102 0.000 2.216 179 E HA -0.111 4.240 4.350 0.001 0.000 0.192 179 E C 1.261 177.833 176.600 -0.047 0.000 0.988 179 E CA 0.846 57.210 56.400 -0.060 0.000 0.834 179 E CB -0.057 29.611 29.700 -0.053 0.000 0.772 179 E HN 0.590 nan 8.360 nan 0.000 0.479 180 N N 0.436 119.099 118.700 -0.062 0.000 2.280 180 N HA 0.005 4.745 4.740 0.001 0.000 0.192 180 N C -0.884 174.619 175.510 -0.012 0.000 1.109 180 N CA 0.124 53.155 53.050 -0.032 0.000 0.855 180 N CB 0.511 38.978 38.487 -0.033 0.000 0.974 180 N HN -0.051 nan 8.380 nan 0.000 0.482 181 N N 0.856 119.544 118.700 -0.019 0.000 2.540 181 N HA 0.040 4.780 4.740 0.001 0.000 0.275 181 N C -1.317 174.211 175.510 0.031 0.000 1.053 181 N CA -0.414 52.651 53.050 0.025 0.000 0.876 181 N CB 1.811 40.339 38.487 0.068 0.000 1.284 181 N HN 0.132 nan 8.380 nan 0.000 0.518 182 K N 0.713 121.135 120.400 0.037 0.000 2.472 182 K HA 0.081 4.401 4.320 0.001 0.000 0.280 182 K C 1.060 177.695 176.600 0.057 0.000 1.028 182 K CA 1.244 57.554 56.287 0.038 0.000 1.045 182 K CB 0.050 32.570 32.500 0.033 0.000 0.902 182 K HN 0.771 nan 8.250 nan 0.000 0.478 183 G N 2.178 111.013 108.800 0.059 0.000 2.225 183 G HA2 -0.319 3.642 3.960 0.001 0.000 0.254 183 G HA3 -0.319 3.642 3.960 0.001 0.000 0.254 183 G C 0.183 175.146 174.900 0.105 0.000 0.988 183 G CA 0.099 45.249 45.100 0.082 0.000 0.625 183 G HN 0.963 nan 8.290 nan 0.000 0.527 184 A N 0.526 123.402 122.820 0.093 0.000 2.511 184 A HA 0.590 4.911 4.320 0.001 0.000 0.242 184 A C 0.654 178.278 177.584 0.066 0.000 1.069 184 A CA 0.539 52.649 52.037 0.122 0.000 0.763 184 A CB 0.233 19.247 19.000 0.023 0.000 1.001 184 A HN 0.411 nan 8.150 nan 0.000 0.498 185 R N 2.060 122.615 120.500 0.092 0.000 2.473 185 R HA 0.412 4.752 4.340 0.001 0.000 0.303 185 R C -1.535 174.726 176.300 -0.065 0.000 1.002 185 R CA -0.533 55.546 56.100 -0.036 0.000 0.884 185 R CB 1.434 31.730 30.300 -0.007 0.000 1.173 185 R HN 0.453 nan 8.270 nan 0.000 0.464 186 V N 4.468 124.295 119.914 -0.145 0.000 2.370 186 V HA 0.296 4.416 4.120 0.001 0.000 0.279 186 V C 0.096 176.083 176.094 -0.178 0.000 1.029 186 V CA -0.939 61.297 62.300 -0.106 0.000 0.870 186 V CB 1.532 33.265 31.823 -0.150 0.000 0.984 186 V HN 0.467 nan 8.190 nan 0.000 0.451 187 L N 7.221 128.369 121.223 -0.125 0.000 2.265 187 L HA 0.558 4.898 4.340 0.001 0.000 0.288 187 L C -0.287 176.529 176.870 -0.090 0.000 1.058 187 L CA 0.387 55.145 54.840 -0.137 0.000 0.809 187 L CB 1.302 43.300 42.059 -0.102 0.000 1.179 187 L HN 0.461 nan 8.230 nan 0.000 0.429 188 V N 6.127 125.978 119.914 -0.105 0.000 2.384 188 V HA 0.553 4.673 4.120 0.001 0.000 0.287 188 V C -0.447 175.603 176.094 -0.074 0.000 1.020 188 V CA -0.640 61.610 62.300 -0.084 0.000 0.850 188 V CB 1.697 33.463 31.823 -0.095 0.000 0.987 188 V HN 0.516 nan 8.190 nan 0.000 0.436 189 V N 3.888 123.766 119.914 -0.060 0.000 2.483 189 V HA 0.387 4.507 4.120 0.001 0.000 0.297 189 V C -0.362 175.704 176.094 -0.046 0.000 1.027 189 V CA -0.428 61.840 62.300 -0.052 0.000 0.855 189 V CB 1.814 33.608 31.823 -0.048 0.000 0.995 189 V HN 0.962 nan 8.190 nan 0.000 0.424 190 C N 3.463 122.745 119.300 -0.031 0.000 2.303 190 C HA 0.759 5.220 4.460 0.001 0.000 0.326 190 C C 0.554 175.548 174.990 0.006 0.000 1.285 190 C CA -0.344 58.661 59.018 -0.021 0.000 1.675 190 C CB 0.864 28.598 27.740 -0.011 0.000 2.289 190 C HN 0.864 nan 8.230 nan 0.000 0.512 191 S N 3.120 118.819 115.700 -0.002 0.000 2.776 191 S HA 0.483 4.954 4.470 0.001 0.000 0.284 191 S C -1.236 173.371 174.600 0.011 0.000 1.160 191 S CA -0.330 57.880 58.200 0.017 0.000 1.051 191 S CB 0.372 63.577 63.200 0.008 0.000 1.037 191 S HN 0.760 nan 8.310 nan 0.000 0.485 192 E N 3.006 123.218 120.200 0.020 0.000 2.224 192 E HA 0.486 4.836 4.350 0.001 0.000 0.265 192 E C -1.236 175.378 176.600 0.022 0.000 0.878 192 E CA -0.649 55.754 56.400 0.006 0.000 0.759 192 E CB 2.102 31.793 29.700 -0.015 0.000 1.164 192 E HN 0.402 nan 8.360 nan 0.000 0.414 193 V N 2.228 122.151 119.914 0.015 0.000 2.482 193 V HA 0.143 4.263 4.120 0.001 0.000 0.295 193 V C 1.129 177.256 176.094 0.056 0.000 1.026 193 V CA -0.616 61.701 62.300 0.029 0.000 0.856 193 V CB 1.678 33.473 31.823 -0.047 0.000 1.001 193 V HN 0.828 nan 8.190 nan 0.000 0.424 194 T N 0.578 115.208 114.554 0.126 0.000 3.163 194 T HA 0.013 4.363 4.350 0.001 0.000 0.260 194 T C 1.666 176.504 174.700 0.229 0.000 1.156 194 T CA 0.797 63.014 62.100 0.194 0.000 1.072 194 T CB 0.114 69.157 68.868 0.291 0.000 0.937 194 T HN 0.752 nan 8.240 nan 0.000 0.528 195 A N 0.886 123.802 122.820 0.159 0.000 2.019 195 A HA 0.068 4.389 4.320 0.001 0.000 0.219 195 A C 2.417 180.083 177.584 0.137 0.000 1.164 195 A CA 1.219 53.350 52.037 0.157 0.000 0.644 195 A CB -0.871 18.170 19.000 0.067 0.000 0.805 195 A HN 0.467 nan 8.150 nan 0.000 0.449 196 V N 0.194 120.162 119.914 0.090 0.000 2.951 196 V HA -0.073 4.047 4.120 0.001 0.000 0.255 196 V C 2.323 178.466 176.094 0.081 0.000 1.088 196 V CA 2.391 64.724 62.300 0.055 0.000 1.109 196 V CB -0.270 31.553 31.823 -0.000 0.000 0.724 196 V HN 0.813 nan 8.190 nan 0.000 0.471 197 T N -3.572 111.079 114.554 0.162 0.000 3.001 197 T HA 0.193 4.543 4.350 0.001 0.000 0.251 197 T C 0.528 175.395 174.700 0.279 0.000 1.040 197 T CA -0.251 61.973 62.100 0.207 0.000 0.985 197 T CB -0.326 68.742 68.868 0.334 0.000 1.011 197 T HN 0.269 nan 8.240 nan 0.000 0.509 198 F N 4.543 124.607 119.950 0.189 0.000 2.572 198 F HA 0.408 4.935 4.527 0.001 0.000 0.370 198 F C 0.605 176.499 175.800 0.157 0.000 1.103 198 F CA -0.398 57.732 58.000 0.217 0.000 1.286 198 F CB 0.496 39.633 39.000 0.230 0.000 1.105 198 F HN 0.302 nan 8.300 nan 0.000 0.583 199 R N 3.981 124.210 120.500 -0.452 0.000 2.712 199 R HA 0.595 4.936 4.340 0.001 0.000 0.272 199 R C -0.701 175.395 176.300 -0.340 0.000 1.032 199 R CA -0.890 55.063 56.100 -0.246 0.000 0.874 199 R CB 0.386 30.606 30.300 -0.133 0.000 1.256 199 R HN 0.799 nan 8.270 nan 0.000 0.468 200 G N 0.905 109.590 108.800 -0.191 0.000 2.667 200 G HA2 0.417 4.377 3.960 0.001 0.000 0.250 200 G HA3 0.417 4.377 3.960 0.001 0.000 0.250 200 G C -2.243 172.600 174.900 -0.095 0.000 1.212 200 G CA -1.099 43.841 45.100 -0.267 0.000 0.874 200 G HN 0.507 nan 8.290 nan 0.000 0.561 201 P HA 0.324 nan 4.420 nan 0.000 0.282 201 P C -0.775 176.413 177.300 -0.186 0.000 1.249 201 P CA -0.328 62.642 63.100 -0.218 0.000 0.806 201 P CB 1.892 33.311 31.700 -0.467 0.000 0.984 202 S N 0.867 116.437 115.700 -0.216 0.000 2.575 202 S HA 0.297 4.768 4.470 0.001 0.000 0.278 202 S C 0.560 175.066 174.600 -0.158 0.000 1.139 202 S CA -0.622 57.428 58.200 -0.250 0.000 0.954 202 S CB 0.657 63.511 63.200 -0.576 0.000 1.054 202 S HN 0.462 nan 8.310 nan 0.000 0.483 203 D N 2.848 123.186 120.400 -0.104 0.000 2.371 203 D HA -0.064 4.576 4.640 0.001 0.000 0.221 203 D C 1.316 177.538 176.300 -0.130 0.000 0.986 203 D CA 1.254 55.209 54.000 -0.075 0.000 0.899 203 D CB -0.415 40.362 40.800 -0.038 0.000 0.902 203 D HN 0.537 nan 8.370 nan 0.000 0.530 204 T N -3.894 110.515 114.554 -0.242 0.000 3.105 204 T HA 0.076 4.427 4.350 0.001 0.000 0.253 204 T C 0.376 174.674 174.700 -0.669 0.000 1.047 204 T CA -0.316 61.547 62.100 -0.396 0.000 0.944 204 T CB -0.237 68.377 68.868 -0.422 0.000 1.016 204 T HN 0.206 nan 8.240 nan 0.000 0.544 205 H N 1.107 120.086 119.070 -0.151 0.000 2.535 205 H HA 0.395 4.951 4.556 0.001 0.000 0.232 205 H C 0.821 176.112 175.328 -0.060 0.000 1.405 205 H CA -0.501 55.478 56.048 -0.115 0.000 1.224 205 H CB 0.328 29.919 29.762 -0.286 0.000 1.763 205 H HN 0.240 nan 8.280 nan 0.000 0.529 206 L N 0.252 121.495 121.223 0.033 0.000 2.275 206 L HA -0.154 4.186 4.340 0.001 0.000 0.215 206 L C 2.151 179.065 176.870 0.074 0.000 1.119 206 L CA 1.067 55.938 54.840 0.051 0.000 0.790 206 L CB -0.089 41.990 42.059 0.034 0.000 0.919 206 L HN 0.336 nan 8.230 nan 0.000 0.443 207 D N -1.072 119.386 120.400 0.097 0.000 2.144 207 D HA -0.205 4.435 4.640 0.001 0.000 0.200 207 D C 2.169 178.532 176.300 0.104 0.000 0.978 207 D CA 1.395 55.456 54.000 0.102 0.000 0.833 207 D CB -0.335 40.549 40.800 0.140 0.000 0.961 207 D HN 0.139 nan 8.370 nan 0.000 0.470 208 S N -0.576 115.209 115.700 0.141 0.000 2.383 208 S HA -0.079 4.391 4.470 0.001 0.000 0.227 208 S C 1.816 176.467 174.600 0.085 0.000 1.026 208 S CA 0.402 58.693 58.200 0.153 0.000 0.981 208 S CB -0.421 62.941 63.200 0.270 0.000 0.818 208 S HN 0.215 nan 8.310 nan 0.000 0.472 209 L N 1.657 122.922 121.223 0.070 0.000 2.083 209 L HA 0.031 4.371 4.340 0.001 0.000 0.209 209 L C 2.299 179.207 176.870 0.064 0.000 1.083 209 L CA 1.481 56.347 54.840 0.042 0.000 0.752 209 L CB -0.816 41.296 42.059 0.088 0.000 0.899 209 L HN 0.189 nan 8.230 nan 0.000 0.433 210 V N 0.128 120.059 119.914 0.029 0.000 2.282 210 V HA -0.301 3.819 4.120 0.001 0.000 0.249 210 V C 2.599 178.555 176.094 -0.229 0.000 1.057 210 V CA 1.987 64.261 62.300 -0.045 0.000 1.032 210 V CB -1.548 30.245 31.823 -0.051 0.000 0.645 210 V HN 0.656 nan 8.190 nan 0.000 0.447 211 G N -0.933 107.635 108.800 -0.387 0.000 2.442 211 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 211 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 211 G C 1.399 175.831 174.900 -0.781 0.000 1.141 211 G CA 0.655 45.104 45.100 -1.084 0.000 0.763 211 G HN 0.513 nan 8.290 nan 0.000 0.554 212 Q N 0.404 120.046 119.800 -0.262 0.000 2.291 212 Q HA 0.077 4.418 4.340 0.001 0.000 0.205 212 Q C 2.714 178.765 176.000 0.085 0.000 0.970 212 Q CA 1.155 56.890 55.803 -0.114 0.000 0.876 212 Q CB -0.479 28.017 28.738 -0.405 0.000 0.935 212 Q HN 0.507 nan 8.270 nan 0.000 0.455 213 A N -0.038 122.832 122.820 0.084 0.000 2.072 213 A HA 0.056 4.376 4.320 0.001 0.000 0.216 213 A C 1.948 179.430 177.584 -0.169 0.000 1.156 213 A CA 0.577 52.576 52.037 -0.063 0.000 0.701 213 A CB -0.060 18.812 19.000 -0.213 0.000 0.816 213 A HN 0.286 nan 8.150 nan 0.000 0.458 214 L N -2.122 118.952 121.223 -0.249 0.000 2.467 214 L HA 0.292 4.632 4.340 0.001 0.000 0.213 214 L C -0.198 176.661 176.870 -0.018 0.000 1.053 214 L CA -0.370 54.357 54.840 -0.188 0.000 0.847 214 L CB -0.136 41.775 42.059 -0.246 0.000 1.075 214 L HN 0.150 nan 8.230 nan 0.000 0.479 215 F N 1.327 121.275 119.950 -0.004 0.000 2.443 215 F HA 0.527 5.054 4.527 0.001 0.000 0.353 215 F C 0.944 176.758 175.800 0.024 0.000 1.101 215 F CA -1.049 56.963 58.000 0.020 0.000 1.226 215 F CB 0.233 39.270 39.000 0.061 0.000 1.140 215 F HN -0.162 nan 8.300 nan 0.000 0.557 216 G N 1.570 110.503 108.800 0.223 0.000 2.733 216 G HA2 0.554 4.514 3.960 0.001 0.000 0.288 216 G HA3 0.554 4.514 3.960 0.001 0.000 0.288 216 G C -1.756 173.220 174.900 0.126 0.000 1.373 216 G CA -0.845 44.341 45.100 0.142 0.000 0.895 216 G HN 0.365 nan 8.290 nan 0.000 0.479 217 D N -0.923 119.563 120.400 0.144 0.000 2.228 217 D HA 0.733 5.373 4.640 0.001 0.000 0.247 217 D C 0.399 176.757 176.300 0.096 0.000 0.995 217 D CA 0.260 54.336 54.000 0.126 0.000 0.903 217 D CB 1.844 42.745 40.800 0.169 0.000 1.205 217 D HN 0.849 nan 8.370 nan 0.000 0.459 218 G N -1.144 107.695 108.800 0.065 0.000 2.355 218 G HA2 0.617 4.577 3.960 0.001 0.000 0.296 218 G HA3 0.617 4.577 3.960 0.001 0.000 0.296 218 G C -1.944 173.053 174.900 0.161 0.000 1.507 218 G CA -0.374 44.785 45.100 0.098 0.000 0.823 218 G HN 0.583 nan 8.290 nan 0.000 0.569 219 A N -0.886 122.085 122.820 0.251 0.000 2.498 219 A HA 1.093 5.414 4.320 0.001 0.000 0.298 219 A C -0.191 177.464 177.584 0.117 0.000 1.075 219 A CA 0.073 52.209 52.037 0.165 0.000 0.714 219 A CB 1.770 20.808 19.000 0.062 0.000 1.299 219 A HN 2.509 nan 8.150 nan 0.000 0.407 220 A N 0.169 123.007 122.820 0.030 0.000 2.449 220 A HA 0.921 5.241 4.320 0.001 0.000 0.302 220 A C -0.387 177.139 177.584 -0.097 0.000 1.048 220 A CA 0.069 52.019 52.037 -0.145 0.000 0.708 220 A CB 1.444 20.352 19.000 -0.152 0.000 1.274 220 A HN 2.477 nan 8.150 nan 0.000 0.410 221 A N 1.587 124.330 122.820 -0.129 0.000 2.401 221 A HA 0.848 5.169 4.320 0.001 0.000 0.310 221 A C -1.017 176.502 177.584 -0.107 0.000 1.075 221 A CA -0.446 51.532 52.037 -0.099 0.000 0.746 221 A CB 0.972 19.920 19.000 -0.087 0.000 1.277 221 A HN 0.912 nan 8.150 nan 0.000 0.425 222 L N 1.867 123.025 121.223 -0.109 0.000 2.333 222 L HA 0.609 4.950 4.340 0.001 0.000 0.263 222 L C -0.908 175.852 176.870 -0.184 0.000 1.014 222 L CA -0.886 53.881 54.840 -0.121 0.000 0.820 222 L CB 1.853 43.850 42.059 -0.103 0.000 1.352 222 L HN 0.465 nan 8.230 nan 0.000 0.421 223 I N 2.348 122.770 120.570 -0.247 0.000 2.378 223 I HA 0.433 4.604 4.170 0.001 0.000 0.291 223 I C -0.361 175.560 176.117 -0.326 0.000 0.992 223 I CA -0.490 60.552 61.300 -0.430 0.000 1.154 223 I CB 1.914 39.412 38.000 -0.837 0.000 1.315 223 I HN 0.189 nan 8.210 nan 0.000 0.448 224 V N 5.194 124.938 119.914 -0.283 0.000 2.540 224 V HA 0.924 5.044 4.120 0.001 0.000 0.302 224 V C 0.290 176.276 176.094 -0.180 0.000 1.035 224 V CA -0.389 61.798 62.300 -0.188 0.000 0.873 224 V CB 1.933 33.666 31.823 -0.150 0.000 0.992 224 V HN 0.968 nan 8.190 nan 0.000 0.428 225 G N 2.241 110.971 108.800 -0.116 0.000 2.698 225 G HA2 0.588 4.548 3.960 0.001 0.000 0.293 225 G HA3 0.588 4.548 3.960 0.001 0.000 0.293 225 G C -1.151 173.729 174.900 -0.032 0.000 1.437 225 G CA -0.452 44.605 45.100 -0.070 0.000 0.852 225 G HN 0.576 nan 8.290 nan 0.000 0.499 226 S N 0.079 115.766 115.700 -0.021 0.000 2.687 226 S HA 0.542 5.012 4.470 0.001 0.000 0.283 226 S C -0.487 174.123 174.600 0.017 0.000 1.170 226 S CA -0.349 57.848 58.200 -0.005 0.000 1.008 226 S CB 1.038 64.230 63.200 -0.012 0.000 1.026 226 S HN 0.699 nan 8.310 nan 0.000 0.541 227 D N 1.038 121.449 120.400 0.019 0.000 2.812 227 D HA -0.092 4.548 4.640 0.001 0.000 0.237 227 D C -2.550 173.774 176.300 0.039 0.000 1.162 227 D CA 0.170 54.185 54.000 0.026 0.000 0.740 227 D CB -1.528 39.287 40.800 0.026 0.000 1.000 227 D HN 0.236 nan 8.370 nan 0.000 0.416 228 P HA 0.080 nan 4.420 nan 0.000 0.269 228 P C 0.206 177.533 177.300 0.045 0.000 1.209 228 P CA -0.459 62.676 63.100 0.060 0.000 0.776 228 P CB 0.743 32.473 31.700 0.050 0.000 0.876 229 V N 5.491 125.436 119.914 0.051 0.000 2.405 229 V HA 0.129 4.249 4.120 0.001 0.000 0.264 229 V C -1.915 174.187 176.094 0.014 0.000 1.048 229 V CA -1.478 60.837 62.300 0.026 0.000 0.966 229 V CB 0.188 32.022 31.823 0.018 0.000 1.015 229 V HN 0.545 nan 8.190 nan 0.000 0.477 230 P HA 0.087 nan 4.420 nan 0.000 0.261 230 P C 0.572 177.868 177.300 -0.007 0.000 1.183 230 P CA 0.533 63.633 63.100 -0.001 0.000 0.761 230 P CB 0.346 32.044 31.700 -0.002 0.000 0.785 231 E N 0.930 121.124 120.200 -0.010 0.000 4.067 231 E HA -0.262 4.088 4.350 0.001 0.000 0.346 231 E C 0.880 177.466 176.600 -0.023 0.000 0.613 231 E CA 1.161 57.551 56.400 -0.017 0.000 1.252 231 E CB -1.779 27.910 29.700 -0.019 0.000 1.731 231 E HN 0.344 nan 8.360 nan 0.000 0.406 232 I N 0.906 121.462 120.570 -0.025 0.000 2.429 232 I HA 0.029 4.200 4.170 0.001 0.000 0.247 232 I C 0.974 177.067 176.117 -0.040 0.000 1.099 232 I CA 1.132 62.405 61.300 -0.046 0.000 1.422 232 I CB 0.050 38.017 38.000 -0.055 0.000 1.112 232 I HN 0.063 nan 8.210 nan 0.000 0.430 233 E N 0.944 121.146 120.200 0.002 0.000 2.250 233 E HA 0.338 4.689 4.350 0.001 0.000 0.269 233 E C -0.153 176.476 176.600 0.049 0.000 1.018 233 E CA -0.686 55.751 56.400 0.062 0.000 0.873 233 E CB 1.449 31.236 29.700 0.145 0.000 1.134 233 E HN -0.058 nan 8.360 nan 0.000 0.403 234 K N 2.826 123.267 120.400 0.067 0.000 2.621 234 K HA 0.316 4.636 4.320 0.001 0.000 0.233 234 K C -2.766 173.835 176.600 0.002 0.000 0.972 234 K CA -2.055 54.243 56.287 0.018 0.000 0.988 234 K CB 1.150 33.652 32.500 0.003 0.000 1.187 234 K HN 0.149 nan 8.250 nan 0.000 0.471 235 P HA 0.010 nan 4.420 nan 0.000 0.265 235 P C -0.038 177.194 177.300 -0.114 0.000 1.187 235 P CA 0.190 63.263 63.100 -0.044 0.000 0.766 235 P CB 0.700 32.374 31.700 -0.044 0.000 0.820 236 I N 0.639 121.119 120.570 -0.150 0.000 3.443 236 I HA 0.203 4.373 4.170 0.001 0.000 0.277 236 I C 0.265 176.014 176.117 -0.615 0.000 1.169 236 I CA 0.519 61.605 61.300 -0.357 0.000 1.419 236 I CB 0.191 38.032 38.000 -0.266 0.000 1.331 236 I HN 0.192 nan 8.210 nan 0.000 0.458 237 F N 0.335 120.265 119.950 -0.033 0.000 2.619 237 F HA 0.419 4.947 4.527 0.001 0.000 0.308 237 F C -0.499 175.294 175.800 -0.012 0.000 1.097 237 F CA -0.793 57.201 58.000 -0.010 0.000 0.953 237 F CB 1.864 40.883 39.000 0.031 0.000 1.287 237 F HN -0.219 nan 8.300 nan 0.000 0.446 238 E N 2.380 122.697 120.200 0.195 0.000 2.195 238 E HA 0.534 4.885 4.350 0.001 0.000 0.271 238 E C -0.997 175.665 176.600 0.104 0.000 0.923 238 E CA -0.881 55.578 56.400 0.098 0.000 0.790 238 E CB 2.231 31.952 29.700 0.035 0.000 1.155 238 E HN 0.453 nan 8.360 nan 0.000 0.402 239 M N 2.224 121.864 119.600 0.067 0.000 2.233 239 M HA 0.209 4.690 4.480 0.001 0.000 0.355 239 M C 0.236 176.587 176.300 0.084 0.000 1.191 239 M CA -0.252 55.082 55.300 0.056 0.000 1.101 239 M CB 1.542 34.145 32.600 0.004 0.000 1.592 239 M HN 0.388 nan 8.290 nan 0.000 0.461 240 V N 1.574 121.570 119.914 0.138 0.000 3.371 240 V HA 0.228 4.348 4.120 0.001 0.000 0.246 240 V C -0.611 175.616 176.094 0.223 0.000 1.303 240 V CA 0.202 62.619 62.300 0.195 0.000 1.156 240 V CB 0.666 32.693 31.823 0.341 0.000 0.929 240 V HN 0.913 nan 8.190 nan 0.000 0.459 241 W N 0.224 121.485 121.300 -0.066 0.000 3.419 241 W HA 0.543 5.204 4.660 0.001 0.000 0.298 241 W C -1.018 175.416 176.519 -0.143 0.000 1.260 241 W CA 0.011 57.288 57.345 -0.114 0.000 1.199 241 W CB 1.458 30.818 29.460 -0.166 0.000 1.349 241 W HN 0.021 nan 8.180 nan 0.000 0.557 242 T N 1.625 115.753 114.554 -0.711 0.000 2.896 242 T HA 0.926 5.276 4.350 0.001 0.000 0.297 242 T C -0.957 173.027 174.700 -1.194 0.000 1.108 242 T CA -0.388 61.305 62.100 -0.678 0.000 1.004 242 T CB 1.697 70.339 68.868 -0.378 0.000 1.159 242 T HN 1.293 nan 8.240 nan 0.000 0.499 243 A N 1.020 123.398 122.820 -0.736 0.000 2.594 243 A HA 0.855 5.175 4.320 0.001 0.000 0.291 243 A C -1.305 176.135 177.584 -0.240 0.000 1.105 243 A CA -0.868 50.849 52.037 -0.533 0.000 0.694 243 A CB 2.103 20.867 19.000 -0.393 0.000 1.291 243 A HN 0.997 nan 8.150 nan 0.000 0.410 244 Q N 0.154 119.848 119.800 -0.176 0.000 2.315 244 Q HA 0.671 5.011 4.340 0.001 0.000 0.273 244 Q C -1.462 174.480 176.000 -0.097 0.000 1.053 244 Q CA -0.326 55.399 55.803 -0.131 0.000 0.817 244 Q CB 2.425 31.067 28.738 -0.159 0.000 1.326 244 Q HN 0.908 nan 8.270 nan 0.000 0.423 245 T N 2.577 117.084 114.554 -0.078 0.000 2.843 245 T HA 0.601 4.951 4.350 0.001 0.000 0.302 245 T C -1.470 173.192 174.700 -0.064 0.000 1.232 245 T CA -0.454 61.615 62.100 -0.051 0.000 1.009 245 T CB 1.098 69.966 68.868 -0.000 0.000 1.254 245 T HN 0.529 nan 8.240 nan 0.000 0.504 246 I N 2.791 123.333 120.570 -0.046 0.000 2.355 246 I HA 0.566 4.736 4.170 0.001 0.000 0.288 246 I C 0.679 176.790 176.117 -0.011 0.000 0.999 246 I CA -0.960 60.317 61.300 -0.038 0.000 1.163 246 I CB 1.487 39.467 38.000 -0.033 0.000 1.316 246 I HN 0.761 nan 8.210 nan 0.000 0.454 247 A N 9.258 132.077 122.820 -0.003 0.000 2.462 247 A HA 0.452 4.773 4.320 0.001 0.000 0.243 247 A C -2.227 175.359 177.584 0.003 0.000 1.076 247 A CA -1.000 51.038 52.037 0.001 0.000 0.773 247 A CB -0.439 18.559 19.000 -0.003 0.000 1.010 247 A HN 0.448 nan 8.150 nan 0.000 0.493 248 P HA 0.115 nan 4.420 nan 0.000 0.272 248 P C -0.670 176.634 177.300 0.006 0.000 1.223 248 P CA 0.143 63.246 63.100 0.006 0.000 0.784 248 P CB 0.382 32.086 31.700 0.006 0.000 0.923 249 D N -0.120 120.285 120.400 0.009 0.000 2.772 249 D HA -0.121 4.519 4.640 0.001 0.000 0.233 249 D C 0.297 176.605 176.300 0.013 0.000 1.143 249 D CA 1.509 55.516 54.000 0.011 0.000 0.700 249 D CB -1.811 38.993 40.800 0.007 0.000 1.076 249 D HN 0.570 nan 8.370 nan 0.000 0.430 250 S N -1.563 114.148 115.700 0.018 0.000 2.846 250 S HA 0.150 4.621 4.470 0.001 0.000 0.249 250 S C 0.278 174.901 174.600 0.039 0.000 1.028 250 S CA -0.569 57.647 58.200 0.025 0.000 1.043 250 S CB 0.995 64.208 63.200 0.021 0.000 0.990 250 S HN 0.253 nan 8.310 nan 0.000 0.564 251 E N 1.543 121.765 120.200 0.037 0.000 2.480 251 E HA 0.376 4.726 4.350 0.001 0.000 0.258 251 E C 1.212 177.847 176.600 0.059 0.000 0.984 251 E CA 1.116 57.543 56.400 0.046 0.000 0.930 251 E CB -0.301 29.422 29.700 0.039 0.000 0.936 251 E HN 0.644 nan 8.360 nan 0.000 0.466 252 G N 2.995 111.840 108.800 0.075 0.000 2.153 252 G HA2 -0.378 3.582 3.960 0.001 0.000 0.252 252 G HA3 -0.378 3.582 3.960 0.001 0.000 0.252 252 G C 0.877 175.839 174.900 0.104 0.000 0.994 252 G CA 0.601 45.757 45.100 0.094 0.000 0.698 252 G HN 0.770 nan 8.290 nan 0.000 0.521 253 A N -0.676 122.200 122.820 0.093 0.000 1.877 253 A HA 0.391 4.712 4.320 0.001 0.000 0.216 253 A C 1.241 178.900 177.584 0.124 0.000 1.186 253 A CA 1.618 53.710 52.037 0.092 0.000 0.620 253 A CB -0.008 19.035 19.000 0.071 0.000 0.822 253 A HN 1.035 nan 8.150 nan 0.000 0.443 254 I N 0.555 121.215 120.570 0.149 0.000 2.542 254 I HA 0.273 4.444 4.170 0.001 0.000 0.278 254 I C -1.808 174.444 176.117 0.225 0.000 1.069 254 I CA -0.614 60.804 61.300 0.198 0.000 1.100 254 I CB 1.699 39.811 38.000 0.186 0.000 1.204 254 I HN -0.011 nan 8.210 nan 0.000 0.470 255 D N 4.406 124.942 120.400 0.227 0.000 2.185 255 D HA 0.682 5.322 4.640 0.001 0.000 0.247 255 D C 0.015 176.321 176.300 0.009 0.000 1.027 255 D CA -0.151 53.905 54.000 0.092 0.000 0.861 255 D CB 2.563 43.382 40.800 0.031 0.000 1.202 255 D HN 0.621 nan 8.370 nan 0.000 0.453 256 G N 1.079 109.720 108.800 -0.265 0.000 2.707 256 G HA2 0.450 4.410 3.960 0.001 0.000 0.299 256 G HA3 0.450 4.410 3.960 0.001 0.000 0.299 256 G C -1.186 173.406 174.900 -0.514 0.000 1.442 256 G CA -0.552 44.231 45.100 -0.528 0.000 1.009 256 G HN 0.357 nan 8.290 nan 0.000 0.515 257 H N 1.989 120.998 119.070 -0.101 0.000 2.489 257 H HA 0.379 4.935 4.556 0.001 0.000 0.343 257 H C -0.905 174.358 175.328 -0.109 0.000 1.086 257 H CA -0.806 55.207 56.048 -0.058 0.000 1.198 257 H CB 2.590 32.361 29.762 0.014 0.000 1.490 257 H HN 0.401 nan 8.280 nan 0.000 0.504 258 L N 4.650 125.883 121.223 0.017 0.000 2.255 258 L HA 0.301 4.641 4.340 0.001 0.000 0.289 258 L C -0.186 176.672 176.870 -0.021 0.000 1.046 258 L CA -0.168 54.648 54.840 -0.041 0.000 0.816 258 L CB -0.178 41.843 42.059 -0.063 0.000 1.197 258 L HN 0.463 nan 8.230 nan 0.000 0.427 259 R N 2.929 123.412 120.500 -0.029 0.000 3.029 259 R HA 0.356 4.696 4.340 0.001 0.000 0.239 259 R C 0.658 176.935 176.300 -0.039 0.000 1.351 259 R CA -0.737 55.346 56.100 -0.028 0.000 1.052 259 R CB 0.423 30.711 30.300 -0.019 0.000 1.354 259 R HN 0.529 nan 8.270 nan 0.000 0.499 260 E N 0.727 120.905 120.200 -0.037 0.000 2.265 260 E HA -0.087 4.264 4.350 0.001 0.000 0.196 260 E C 0.907 177.484 176.600 -0.040 0.000 0.996 260 E CA 1.441 57.820 56.400 -0.035 0.000 0.832 260 E CB 0.098 29.780 29.700 -0.030 0.000 0.756 260 E HN 0.547 nan 8.360 nan 0.000 0.491 261 A N 0.667 123.454 122.820 -0.054 0.000 2.379 261 A HA 0.464 4.784 4.320 0.001 0.000 0.236 261 A C 0.861 178.401 177.584 -0.074 0.000 1.272 261 A CA 0.534 52.528 52.037 -0.071 0.000 0.886 261 A CB -0.136 18.796 19.000 -0.113 0.000 0.962 261 A HN 0.255 nan 8.150 nan 0.000 0.504 262 G N -0.977 107.788 108.800 -0.059 0.000 2.548 262 G HA2 0.073 4.033 3.960 0.001 0.000 0.208 262 G HA3 0.073 4.033 3.960 0.001 0.000 0.208 262 G C -0.614 174.235 174.900 -0.086 0.000 1.308 262 G CA -0.265 44.802 45.100 -0.056 0.000 0.924 262 G HN 1.153 nan 8.290 nan 0.000 0.540 263 L N 1.643 122.805 121.223 -0.103 0.000 2.265 263 L HA 0.713 5.053 4.340 0.001 0.000 0.288 263 L C 1.065 177.785 176.870 -0.250 0.000 1.058 263 L CA 0.568 55.289 54.840 -0.198 0.000 0.809 263 L CB 0.871 42.792 42.059 -0.231 0.000 1.179 263 L HN 1.258 nan 8.230 nan 0.000 0.429 264 T N 1.647 116.024 114.554 -0.296 0.000 2.856 264 T HA 0.618 4.969 4.350 0.001 0.000 0.283 264 T C -0.331 174.066 174.700 -0.506 0.000 1.008 264 T CA -0.479 61.438 62.100 -0.304 0.000 0.997 264 T CB 0.807 69.539 68.868 -0.226 0.000 0.992 264 T HN 0.280 nan 8.240 nan 0.000 0.454 265 F N 1.559 121.373 119.950 -0.226 0.000 2.458 265 F HA 0.504 5.032 4.527 0.001 0.000 0.330 265 F C 1.263 176.817 175.800 -0.409 0.000 1.082 265 F CA -0.758 57.131 58.000 -0.185 0.000 0.995 265 F CB 1.605 40.643 39.000 0.063 0.000 1.170 265 F HN 0.623 nan 8.300 nan 0.000 0.478 266 H N 2.119 121.355 119.070 0.276 0.000 3.065 266 H HA 0.742 5.298 4.556 0.001 0.000 0.279 266 H C -0.984 174.467 175.328 0.205 0.000 1.594 266 H CA -0.883 55.294 56.048 0.214 0.000 1.547 266 H CB 1.976 31.840 29.762 0.170 0.000 1.771 266 H HN 0.374 nan 8.280 nan 0.000 0.871 267 L N 1.467 122.851 121.223 0.269 0.000 2.830 267 L HA 0.100 4.440 4.340 0.001 0.000 0.259 267 L C -0.115 176.844 176.870 0.147 0.000 0.943 267 L CA 0.082 55.028 54.840 0.177 0.000 0.997 267 L CB 1.885 44.020 42.059 0.126 0.000 1.427 267 L HN 0.362 nan 8.230 nan 0.000 0.456 268 L N 1.633 122.930 121.223 0.124 0.000 2.817 268 L HA 0.316 4.657 4.340 0.001 0.000 0.248 268 L C 0.782 177.692 176.870 0.067 0.000 1.133 268 L CA 0.462 55.359 54.840 0.096 0.000 0.935 268 L CB 0.766 42.882 42.059 0.095 0.000 1.266 268 L HN 0.617 nan 8.230 nan 0.000 0.535 269 K N -0.854 119.581 120.400 0.058 0.000 1.815 269 K HA 0.231 4.552 4.320 0.001 0.000 0.292 269 K C -1.014 175.601 176.600 0.026 0.000 0.932 269 K CA -0.720 55.590 56.287 0.037 0.000 0.802 269 K CB 0.714 33.234 32.500 0.033 0.000 3.215 269 K HN -0.280 nan 8.250 nan 0.000 1.129 270 D N 1.315 121.722 120.400 0.011 0.000 2.446 270 D HA 0.185 4.826 4.640 0.001 0.000 0.251 270 D C 0.511 176.801 176.300 -0.016 0.000 1.137 270 D CA -0.269 53.730 54.000 -0.002 0.000 0.890 270 D CB 1.349 42.143 40.800 -0.010 0.000 1.071 270 D HN 0.189 nan 8.370 nan 0.000 0.528 271 V N 5.116 125.022 119.914 -0.013 0.000 2.295 271 V HA -0.111 4.010 4.120 0.001 0.000 0.246 271 V C -0.811 175.232 176.094 -0.085 0.000 1.049 271 V CA 1.572 63.852 62.300 -0.032 0.000 1.024 271 V CB -1.107 30.714 31.823 -0.003 0.000 0.648 271 V HN 0.508 nan 8.190 nan 0.000 0.447 272 P HA -0.137 nan 4.420 nan 0.000 0.215 272 P C 1.718 178.953 177.300 -0.108 0.000 1.153 272 P CA 1.943 64.977 63.100 -0.109 0.000 0.853 272 P CB -0.347 31.308 31.700 -0.074 0.000 0.788 273 G N -0.340 108.416 108.800 -0.073 0.000 2.421 273 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 273 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 273 G C 1.545 176.402 174.900 -0.072 0.000 1.171 273 G CA 0.599 45.662 45.100 -0.062 0.000 0.775 273 G HN 0.234 nan 8.290 nan 0.000 0.543 274 I N 0.280 120.806 120.570 -0.072 0.000 2.252 274 I HA -0.138 4.032 4.170 0.001 0.000 0.245 274 I C 2.774 178.821 176.117 -0.118 0.000 1.102 274 I CA 0.426 61.683 61.300 -0.071 0.000 1.385 274 I CB -0.201 37.770 38.000 -0.049 0.000 1.064 274 I HN 0.029 nan 8.210 nan 0.000 0.414 275 V N 0.041 119.837 119.914 -0.197 0.000 2.295 275 V HA -0.269 3.852 4.120 0.001 0.000 0.246 275 V C 2.534 178.478 176.094 -0.248 0.000 1.049 275 V CA 2.149 64.250 62.300 -0.333 0.000 1.024 275 V CB -0.623 30.809 31.823 -0.650 0.000 0.648 275 V HN 0.362 nan 8.190 nan 0.000 0.447 276 S N -0.598 114.987 115.700 -0.191 0.000 2.370 276 S HA -0.280 4.191 4.470 0.001 0.000 0.226 276 S C 2.019 176.570 174.600 -0.083 0.000 1.033 276 S CA 1.951 60.075 58.200 -0.125 0.000 1.011 276 S CB -0.345 62.797 63.200 -0.095 0.000 0.852 276 S HN 0.601 nan 8.310 nan 0.000 0.457 277 K N 0.857 121.215 120.400 -0.071 0.000 2.288 277 K HA 0.045 4.365 4.320 0.001 0.000 0.201 277 K C 0.973 177.552 176.600 -0.035 0.000 1.048 277 K CA 0.867 57.129 56.287 -0.042 0.000 0.956 277 K CB 0.043 32.522 32.500 -0.035 0.000 0.746 277 K HN 0.225 nan 8.250 nan 0.000 0.461 278 N N 0.285 118.952 118.700 -0.056 0.000 2.184 278 N HA 0.004 4.745 4.740 0.001 0.000 0.206 278 N C 1.181 176.663 175.510 -0.047 0.000 1.151 278 N CA 0.107 53.134 53.050 -0.038 0.000 0.878 278 N CB 0.500 38.966 38.487 -0.036 0.000 1.014 278 N HN 0.133 nan 8.380 nan 0.000 0.512 279 I N 1.138 121.655 120.570 -0.087 0.000 2.439 279 I HA -0.134 4.036 4.170 0.001 0.000 0.251 279 I C 1.852 177.941 176.117 -0.047 0.000 1.139 279 I CA 1.286 62.506 61.300 -0.132 0.000 1.438 279 I CB 0.015 37.911 38.000 -0.174 0.000 1.085 279 I HN -0.052 nan 8.210 nan 0.000 0.427 280 T N 0.502 115.053 114.554 -0.006 0.000 2.737 280 T HA -0.235 4.116 4.350 0.001 0.000 0.265 280 T C 1.916 176.645 174.700 0.048 0.000 1.038 280 T CA 1.678 63.796 62.100 0.030 0.000 1.144 280 T CB -0.256 68.660 68.868 0.080 0.000 0.866 280 T HN 0.343 nan 8.240 nan 0.000 0.434 281 K N 1.276 121.705 120.400 0.047 0.000 2.074 281 K HA -0.117 4.204 4.320 0.001 0.000 0.209 281 K C 2.447 179.095 176.600 0.080 0.000 1.048 281 K CA 1.418 57.740 56.287 0.059 0.000 0.926 281 K CB -0.353 32.174 32.500 0.046 0.000 0.713 281 K HN 0.287 nan 8.250 nan 0.000 0.444 282 A N 1.196 124.072 122.820 0.094 0.000 1.902 282 A HA -0.103 4.217 4.320 0.001 0.000 0.217 282 A C 2.135 179.833 177.584 0.191 0.000 1.181 282 A CA 1.308 53.454 52.037 0.181 0.000 0.623 282 A CB -0.542 18.605 19.000 0.246 0.000 0.818 282 A HN 0.337 nan 8.150 nan 0.000 0.443 283 L N -0.217 121.088 121.223 0.136 0.000 2.056 283 L HA -0.144 4.197 4.340 0.001 0.000 0.207 283 L C 2.716 179.661 176.870 0.125 0.000 1.078 283 L CA 1.417 56.308 54.840 0.084 0.000 0.749 283 L CB -0.547 41.264 42.059 -0.413 0.000 0.901 283 L HN 0.445 nan 8.230 nan 0.000 0.433 284 V N -1.710 118.274 119.914 0.116 0.000 2.427 284 V HA -0.254 3.866 4.120 0.001 0.000 0.248 284 V C 2.173 178.264 176.094 -0.005 0.000 1.051 284 V CA 2.040 64.415 62.300 0.124 0.000 1.048 284 V CB -0.397 31.500 31.823 0.124 0.000 0.666 284 V HN 0.559 nan 8.190 nan 0.000 0.456 285 E N 0.568 120.755 120.200 -0.022 0.000 2.077 285 E HA -0.171 4.179 4.350 0.001 0.000 0.193 285 E C 2.190 178.496 176.600 -0.490 0.000 0.989 285 E CA 1.622 57.961 56.400 -0.102 0.000 0.800 285 E CB -0.403 29.351 29.700 0.089 0.000 0.746 285 E HN 0.753 nan 8.360 nan 0.000 0.452 286 A N -0.289 122.171 122.820 -0.600 0.000 1.897 286 A HA -0.067 4.254 4.320 0.001 0.000 0.215 286 A C 1.686 178.547 177.584 -1.206 0.000 1.181 286 A CA 1.025 52.267 52.037 -1.324 0.000 0.620 286 A CB -0.426 17.977 19.000 -0.995 0.000 0.821 286 A HN 0.356 nan 8.150 nan 0.000 0.443 287 F N -1.386 118.334 119.950 -0.384 0.000 2.731 287 F HA 0.185 4.712 4.527 0.001 0.000 0.298 287 F C 2.044 177.703 175.800 -0.235 0.000 1.106 287 F CA 0.470 58.292 58.000 -0.297 0.000 1.329 287 F CB 0.296 39.240 39.000 -0.092 0.000 1.100 287 F HN 0.152 nan 8.300 nan 0.000 0.592 288 E N 1.549 121.713 120.200 -0.060 0.000 2.085 288 E HA -0.150 4.201 4.350 0.001 0.000 0.194 288 E C -0.662 175.853 176.600 -0.143 0.000 0.994 288 E CA 1.543 57.902 56.400 -0.069 0.000 0.801 288 E CB -1.270 28.402 29.700 -0.046 0.000 0.743 288 E HN 0.152 nan 8.360 nan 0.000 0.453 289 P HA -0.099 nan 4.420 nan 0.000 0.222 289 P C 0.631 177.780 177.300 -0.251 0.000 1.147 289 P CA 1.049 64.003 63.100 -0.242 0.000 0.790 289 P CB 0.036 31.538 31.700 -0.330 0.000 0.780 290 L N -2.739 118.296 121.223 -0.312 0.000 2.592 290 L HA 0.310 4.650 4.340 0.001 0.000 0.227 290 L C 1.416 178.149 176.870 -0.229 0.000 1.127 290 L CA 0.504 55.132 54.840 -0.353 0.000 0.884 290 L CB -0.904 40.790 42.059 -0.609 0.000 1.065 290 L HN 0.084 nan 8.230 nan 0.000 0.457 291 G N 2.033 110.745 108.800 -0.147 0.000 2.143 291 G HA2 -0.315 3.645 3.960 0.001 0.000 0.248 291 G HA3 -0.315 3.645 3.960 0.001 0.000 0.248 291 G C 0.028 174.881 174.900 -0.078 0.000 0.991 291 G CA 0.537 45.581 45.100 -0.094 0.000 0.689 291 G HN 0.421 nan 8.290 nan 0.000 0.522 292 I N -0.873 119.660 120.570 -0.062 0.000 2.404 292 I HA 0.813 4.983 4.170 0.001 0.000 0.293 292 I C 0.652 176.731 176.117 -0.064 0.000 0.992 292 I CA 0.111 61.370 61.300 -0.067 0.000 1.149 292 I CB 2.201 40.145 38.000 -0.092 0.000 1.315 292 I HN 0.362 nan 8.210 nan 0.000 0.446 293 S N 2.154 117.737 115.700 -0.197 0.000 2.728 293 S HA 0.235 4.706 4.470 0.001 0.000 0.257 293 S C 0.084 174.237 174.600 -0.745 0.000 1.060 293 S CA -0.235 57.716 58.200 -0.415 0.000 1.126 293 S CB -0.360 62.694 63.200 -0.244 0.000 1.099 293 S HN 0.744 nan 8.310 nan 0.000 0.617 294 D N 1.486 121.624 120.400 -0.436 0.000 2.393 294 D HA 0.235 4.875 4.640 0.001 0.000 0.232 294 D C -0.162 175.996 176.300 -0.237 0.000 1.192 294 D CA -0.573 53.228 54.000 -0.331 0.000 0.882 294 D CB 0.219 40.936 40.800 -0.138 0.000 1.038 294 D HN 0.211 nan 8.370 nan 0.000 0.499 295 Y N 2.143 122.463 120.300 0.033 0.000 2.578 295 Y HA 0.092 4.642 4.550 0.001 0.000 0.297 295 Y C 1.695 177.729 175.900 0.223 0.000 1.176 295 Y CA -0.068 58.106 58.100 0.124 0.000 1.315 295 Y CB -0.335 38.278 38.460 0.256 0.000 1.031 295 Y HN 0.428 nan 8.280 nan 0.000 0.524 296 N N -0.712 118.108 118.700 0.199 0.000 2.412 296 N HA -0.063 4.677 4.740 0.001 0.000 0.184 296 N C 1.616 177.221 175.510 0.159 0.000 1.101 296 N CA 0.922 54.070 53.050 0.163 0.000 0.881 296 N CB 0.074 38.606 38.487 0.075 0.000 0.969 296 N HN 0.350 nan 8.380 nan 0.000 0.459 297 S N 0.233 116.004 115.700 0.119 0.000 2.593 297 S HA 0.123 4.594 4.470 0.001 0.000 0.217 297 S C 0.851 175.531 174.600 0.133 0.000 0.966 297 S CA -0.494 57.767 58.200 0.103 0.000 0.914 297 S CB -0.434 62.795 63.200 0.050 0.000 0.776 297 S HN 0.287 nan 8.310 nan 0.000 0.523 298 I N -1.443 119.208 120.570 0.134 0.000 2.797 298 I HA 0.791 4.961 4.170 0.001 0.000 0.307 298 I C -0.394 175.852 176.117 0.215 0.000 1.033 298 I CA -1.870 59.467 61.300 0.061 0.000 1.071 298 I CB 1.401 39.232 38.000 -0.281 0.000 1.255 298 I HN 0.076 nan 8.210 nan 0.000 0.445 299 F N 0.671 120.709 119.950 0.148 0.000 2.377 299 F HA 0.709 5.237 4.527 0.001 0.000 0.328 299 F C -1.226 174.653 175.800 0.131 0.000 1.094 299 F CA -0.796 57.326 58.000 0.203 0.000 1.093 299 F CB 0.509 39.610 39.000 0.168 0.000 1.214 299 F HN 0.428 nan 8.300 nan 0.000 0.518 300 W N 3.458 124.907 121.300 0.248 0.000 2.632 300 W HA 0.702 5.362 4.660 0.001 0.000 0.328 300 W C -1.522 175.098 176.519 0.168 0.000 1.044 300 W CA -0.660 56.773 57.345 0.148 0.000 1.225 300 W CB 2.039 31.591 29.460 0.154 0.000 1.396 300 W HN 0.310 nan 8.180 nan 0.000 0.499 301 I N 3.568 124.293 120.570 0.258 0.000 2.468 301 I HA 0.610 4.780 4.170 0.001 0.000 0.285 301 I C -0.274 175.997 176.117 0.255 0.000 1.039 301 I CA -0.602 60.827 61.300 0.215 0.000 1.074 301 I CB 1.549 39.591 38.000 0.071 0.000 1.228 301 I HN 0.412 nan 8.210 nan 0.000 0.436 302 A N 3.849 126.865 122.820 0.328 0.000 2.371 302 A HA 0.625 4.946 4.320 0.001 0.000 0.311 302 A C -0.982 176.743 177.584 0.235 0.000 1.068 302 A CA -0.672 51.581 52.037 0.359 0.000 0.744 302 A CB 0.615 19.963 19.000 0.579 0.000 1.239 302 A HN 0.743 nan 8.150 nan 0.000 0.435 303 H N 3.879 122.953 119.070 0.007 0.000 3.046 303 H HA 0.283 4.839 4.556 0.001 0.000 0.303 303 H C -2.066 173.412 175.328 0.251 0.000 1.002 303 H CA -1.060 55.031 56.048 0.071 0.000 1.460 303 H CB 0.749 30.480 29.762 -0.050 0.000 1.493 303 H HN 0.308 nan 8.280 nan 0.000 0.559 304 P HA 0.121 nan 4.420 nan 0.000 0.219 304 P C 0.931 178.020 177.300 -0.353 0.000 1.832 304 P CA -0.003 62.971 63.100 -0.209 0.000 1.014 304 P CB 0.287 31.934 31.700 -0.088 0.000 1.939 305 G N 1.595 110.218 108.800 -0.294 0.000 2.440 305 G HA2 0.021 3.981 3.960 0.001 0.000 0.218 305 G HA3 0.021 3.981 3.960 0.001 0.000 0.218 305 G C 0.699 175.598 174.900 -0.002 0.000 1.154 305 G CA 0.700 45.771 45.100 -0.049 0.000 0.767 305 G HN 0.627 nan 8.290 nan 0.000 0.552 306 G N -1.867 106.921 108.800 -0.020 0.000 2.660 306 G HA2 0.530 4.491 3.960 0.001 0.000 0.290 306 G HA3 0.530 4.491 3.960 0.001 0.000 0.290 306 G C -2.177 172.705 174.900 -0.031 0.000 1.432 306 G CA -0.060 45.020 45.100 -0.034 0.000 0.807 306 G HN -0.134 nan 8.290 nan 0.000 0.485 307 P HA -0.050 nan 4.420 nan 0.000 0.218 307 P C 1.836 179.116 177.300 -0.033 0.000 1.149 307 P CA 1.588 64.669 63.100 -0.031 0.000 0.817 307 P CB 0.246 31.923 31.700 -0.038 0.000 0.785 308 A N 0.100 122.897 122.820 -0.039 0.000 1.972 308 A HA -0.129 4.192 4.320 0.001 0.000 0.219 308 A C 2.342 179.895 177.584 -0.053 0.000 1.169 308 A CA 1.096 53.107 52.037 -0.043 0.000 0.635 308 A CB -1.487 17.487 19.000 -0.043 0.000 0.810 308 A HN 0.117 nan 8.150 nan 0.000 0.446 309 I N -0.217 120.321 120.570 -0.054 0.000 2.163 309 I HA -0.300 3.870 4.170 0.001 0.000 0.243 309 I C 2.376 178.458 176.117 -0.059 0.000 1.085 309 I CA 1.381 62.630 61.300 -0.084 0.000 1.347 309 I CB -0.410 37.542 38.000 -0.081 0.000 1.044 309 I HN 0.312 nan 8.210 nan 0.000 0.408 310 L N 0.087 121.302 121.223 -0.013 0.000 2.046 310 L HA -0.225 4.116 4.340 0.001 0.000 0.208 310 L C 2.197 179.041 176.870 -0.044 0.000 1.077 310 L CA 1.252 56.091 54.840 -0.002 0.000 0.747 310 L CB -0.826 41.243 42.059 0.017 0.000 0.896 310 L HN 0.256 nan 8.230 nan 0.000 0.432 311 D N -0.092 120.280 120.400 -0.045 0.000 2.117 311 D HA -0.185 4.456 4.640 0.001 0.000 0.197 311 D C 2.332 178.595 176.300 -0.062 0.000 0.987 311 D CA 1.151 55.119 54.000 -0.053 0.000 0.829 311 D CB -0.163 40.611 40.800 -0.044 0.000 0.961 311 D HN 0.386 nan 8.370 nan 0.000 0.460 312 Q N 0.076 119.838 119.800 -0.064 0.000 2.167 312 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 312 Q C 2.323 178.276 176.000 -0.078 0.000 0.970 312 Q CA 0.538 56.300 55.803 -0.068 0.000 0.855 312 Q CB 0.200 28.896 28.738 -0.071 0.000 0.911 312 Q HN 0.138 nan 8.270 nan 0.000 0.438 313 V N 1.154 121.014 119.914 -0.091 0.000 2.307 313 V HA -0.273 3.847 4.120 0.001 0.000 0.245 313 V C 2.211 178.227 176.094 -0.130 0.000 1.045 313 V CA 2.116 64.357 62.300 -0.099 0.000 1.024 313 V CB -0.528 31.248 31.823 -0.079 0.000 0.651 313 V HN 0.434 nan 8.190 nan 0.000 0.449 314 E N -0.063 120.049 120.200 -0.147 0.000 2.085 314 E HA -0.310 4.040 4.350 0.001 0.000 0.194 314 E C 2.215 178.752 176.600 -0.105 0.000 0.994 314 E CA 1.828 58.129 56.400 -0.165 0.000 0.801 314 E CB -0.112 29.505 29.700 -0.139 0.000 0.743 314 E HN 0.699 nan 8.360 nan 0.000 0.453 315 Q N 0.214 119.969 119.800 -0.076 0.000 2.046 315 Q HA -0.199 4.141 4.340 0.001 0.000 0.200 315 Q C 2.161 178.138 176.000 -0.038 0.000 0.975 315 Q CA 1.713 57.486 55.803 -0.051 0.000 0.836 315 Q CB -0.131 28.580 28.738 -0.044 0.000 0.896 315 Q HN 0.024 nan 8.270 nan 0.000 0.428 316 K N 1.157 121.534 120.400 -0.039 0.000 2.032 316 K HA -0.145 4.176 4.320 0.001 0.000 0.209 316 K C 1.542 178.145 176.600 0.005 0.000 1.048 316 K CA 1.508 57.784 56.287 -0.019 0.000 0.927 316 K CB -0.226 32.259 32.500 -0.025 0.000 0.712 316 K HN 0.174 nan 8.250 nan 0.000 0.441 317 L N -0.425 120.798 121.223 0.001 0.000 2.509 317 L HA 0.270 4.611 4.340 0.001 0.000 0.222 317 L C 0.569 177.459 176.870 0.033 0.000 1.123 317 L CA 0.273 55.145 54.840 0.055 0.000 0.856 317 L CB -0.203 41.900 42.059 0.074 0.000 0.985 317 L HN 0.371 nan 8.230 nan 0.000 0.456 318 A N 0.693 123.504 122.820 -0.014 0.000 2.846 318 A HA -0.196 4.124 4.320 0.001 0.000 0.287 318 A C 0.311 177.871 177.584 -0.039 0.000 1.469 318 A CA 0.253 52.277 52.037 -0.023 0.000 0.757 318 A CB -2.443 16.554 19.000 -0.006 0.000 1.033 318 A HN 0.300 nan 8.150 nan 0.000 0.516 319 L N -0.027 121.139 121.223 -0.095 0.000 2.456 319 L HA 0.139 4.479 4.340 0.001 0.000 0.272 319 L C 1.210 178.018 176.870 -0.103 0.000 1.189 319 L CA 0.073 54.823 54.840 -0.150 0.000 0.846 319 L CB 0.402 42.250 42.059 -0.352 0.000 1.111 319 L HN 0.415 nan 8.230 nan 0.000 0.475 320 K N 3.588 123.946 120.400 -0.071 0.000 2.414 320 K HA 0.029 4.350 4.320 0.001 0.000 0.272 320 K C -1.555 175.009 176.600 -0.060 0.000 0.993 320 K CA -1.235 55.025 56.287 -0.045 0.000 0.964 320 K CB 0.233 32.725 32.500 -0.014 0.000 0.925 320 K HN 0.320 nan 8.250 nan 0.000 0.487 321 P HA -0.171 nan 4.420 nan 0.000 0.218 321 P C 0.294 177.578 177.300 -0.026 0.000 1.148 321 P CA 1.295 64.372 63.100 -0.039 0.000 0.822 321 P CB 0.251 31.936 31.700 -0.024 0.000 0.784 322 E N -0.595 119.600 120.200 -0.008 0.000 2.274 322 E HA -0.122 4.228 4.350 0.001 0.000 0.194 322 E C 1.814 178.433 176.600 0.032 0.000 0.996 322 E CA 0.750 57.161 56.400 0.018 0.000 0.840 322 E CB -0.540 29.178 29.700 0.031 0.000 0.772 322 E HN 0.136 nan 8.360 nan 0.000 0.491 323 K N 0.017 120.415 120.400 -0.004 0.000 2.063 323 K HA -0.052 4.268 4.320 0.001 0.000 0.208 323 K C 1.331 177.967 176.600 0.060 0.000 1.048 323 K CA 0.996 57.291 56.287 0.013 0.000 0.928 323 K CB -0.112 32.276 32.500 -0.187 0.000 0.713 323 K HN 0.242 nan 8.250 nan 0.000 0.442 324 M N 1.331 120.932 119.600 0.001 0.000 2.530 324 M HA 0.039 4.519 4.480 0.001 0.000 0.231 324 M C 0.643 176.990 176.300 0.077 0.000 1.180 324 M CA 0.177 55.511 55.300 0.056 0.000 0.985 324 M CB -0.637 31.965 32.600 0.002 0.000 1.623 324 M HN 0.003 nan 8.290 nan 0.000 0.475 325 N N 1.917 120.663 118.700 0.077 0.000 2.043 325 N HA -0.116 4.625 4.740 0.001 0.000 0.193 325 N C 1.786 177.355 175.510 0.097 0.000 1.037 325 N CA 1.924 55.019 53.050 0.075 0.000 0.851 325 N CB -0.191 38.337 38.487 0.069 0.000 1.027 325 N HN 0.406 nan 8.380 nan 0.000 0.422 326 A N 0.090 122.985 122.820 0.126 0.000 1.933 326 A HA -0.115 4.206 4.320 0.001 0.000 0.218 326 A C 2.374 180.047 177.584 0.148 0.000 1.175 326 A CA 1.997 54.117 52.037 0.140 0.000 0.628 326 A CB -1.081 18.013 19.000 0.156 0.000 0.814 326 A HN 0.328 nan 8.150 nan 0.000 0.444 327 T N -0.294 114.351 114.554 0.153 0.000 2.708 327 T HA -0.152 4.198 4.350 0.001 0.000 0.266 327 T C 2.057 176.822 174.700 0.110 0.000 1.037 327 T CA 1.703 63.889 62.100 0.144 0.000 1.146 327 T CB -0.233 68.734 68.868 0.164 0.000 0.865 327 T HN 0.522 nan 8.240 nan 0.000 0.435 328 R N 0.505 121.058 120.500 0.088 0.000 2.148 328 R HA -0.029 4.311 4.340 0.001 0.000 0.227 328 R C 2.506 178.844 176.300 0.063 0.000 1.103 328 R CA 1.030 57.166 56.100 0.059 0.000 0.983 328 R CB -0.120 30.203 30.300 0.039 0.000 0.874 328 R HN 0.341 nan 8.270 nan 0.000 0.451 329 E N 0.664 120.915 120.200 0.085 0.000 2.106 329 E HA -0.115 4.235 4.350 0.001 0.000 0.192 329 E C 1.720 178.400 176.600 0.132 0.000 0.984 329 E CA 1.098 57.552 56.400 0.091 0.000 0.806 329 E CB -0.005 29.757 29.700 0.104 0.000 0.750 329 E HN 0.017 nan 8.360 nan 0.000 0.458 330 V N 0.668 120.695 119.914 0.188 0.000 2.358 330 V HA -0.186 3.934 4.120 0.001 0.000 0.246 330 V C 2.392 178.612 176.094 0.210 0.000 1.047 330 V CA 1.544 64.023 62.300 0.298 0.000 1.035 330 V CB -0.563 31.414 31.823 0.256 0.000 0.658 330 V HN 0.336 nan 8.190 nan 0.000 0.452 331 L N 0.107 121.394 121.223 0.105 0.000 2.042 331 L HA -0.145 4.196 4.340 0.001 0.000 0.210 331 L C 2.595 179.478 176.870 0.021 0.000 1.076 331 L CA 2.448 57.317 54.840 0.048 0.000 0.749 331 L CB -0.765 41.304 42.059 0.017 0.000 0.893 331 L HN 0.324 nan 8.230 nan 0.000 0.432 332 S N -1.124 114.584 115.700 0.013 0.000 2.368 332 S HA -0.137 4.333 4.470 0.001 0.000 0.224 332 S C 1.838 176.389 174.600 -0.081 0.000 1.029 332 S CA 1.298 59.480 58.200 -0.030 0.000 0.988 332 S CB -0.264 62.925 63.200 -0.019 0.000 0.838 332 S HN 0.569 nan 8.310 nan 0.000 0.462 333 E N -0.822 119.308 120.200 -0.116 0.000 2.400 333 E HA 0.112 4.463 4.350 0.001 0.000 0.195 333 E C 0.422 176.731 176.600 -0.486 0.000 1.012 333 E CA 0.575 56.776 56.400 -0.333 0.000 0.875 333 E CB 0.147 29.570 29.700 -0.461 0.000 0.859 333 E HN 0.765 nan 8.360 nan 0.000 0.498 334 Y N -1.172 119.149 120.300 0.035 0.000 2.515 334 Y HA 0.311 4.861 4.550 0.001 0.000 0.267 334 Y C 1.167 177.042 175.900 -0.042 0.000 1.058 334 Y CA 0.060 58.175 58.100 0.026 0.000 1.231 334 Y CB 1.061 39.452 38.460 -0.115 0.000 1.350 334 Y HN 0.033 nan 8.280 nan 0.000 0.554 335 G N 1.897 110.739 108.800 0.071 0.000 2.698 335 G HA2 -0.323 3.637 3.960 0.001 0.000 0.233 335 G HA3 -0.323 3.637 3.960 0.001 0.000 0.233 335 G C -0.677 174.251 174.900 0.047 0.000 1.352 335 G CA -0.310 44.808 45.100 0.030 0.000 0.879 335 G HN 0.293 nan 8.290 nan 0.000 0.567 336 N N 0.473 119.218 118.700 0.076 0.000 2.439 336 N HA 0.422 5.162 4.740 0.001 0.000 0.243 336 N C 0.988 176.579 175.510 0.136 0.000 1.088 336 N CA -0.252 52.867 53.050 0.113 0.000 0.940 336 N CB 0.083 38.686 38.487 0.194 0.000 1.180 336 N HN 0.484 nan 8.380 nan 0.000 0.505 337 M N 2.318 121.950 119.600 0.052 0.000 2.723 337 M HA 0.088 4.568 4.480 0.001 0.000 0.270 337 M C 0.959 177.265 176.300 0.011 0.000 1.282 337 M CA -0.278 55.018 55.300 -0.006 0.000 0.995 337 M CB -0.486 32.017 32.600 -0.163 0.000 1.430 337 M HN 0.674 nan 8.290 nan 0.000 0.477 338 S N 1.053 116.791 115.700 0.064 0.000 3.938 338 S HA -0.311 4.160 4.470 0.001 0.000 0.624 338 S C 1.499 176.057 174.600 -0.070 0.000 2.186 338 S CA 2.027 60.207 58.200 -0.033 0.000 4.144 338 S CB -1.252 61.867 63.200 -0.136 0.000 0.230 338 S HN 0.751 nan 8.310 nan 0.000 0.755 339 S N 1.582 117.200 115.700 -0.137 0.000 2.419 339 S HA 0.023 4.493 4.470 0.001 0.000 0.235 339 S C 2.001 176.581 174.600 -0.033 0.000 1.019 339 S CA 1.981 60.099 58.200 -0.136 0.000 0.982 339 S CB -1.063 62.050 63.200 -0.145 0.000 0.789 339 S HN 1.647 nan 8.310 nan 0.000 0.490 340 A N 0.503 123.334 122.820 0.019 0.000 2.066 340 A HA 0.063 4.383 4.320 0.001 0.000 0.218 340 A C 2.407 180.098 177.584 0.178 0.000 1.157 340 A CA 0.980 53.086 52.037 0.115 0.000 0.670 340 A CB -1.447 17.650 19.000 0.162 0.000 0.804 340 A HN 0.691 nan 8.150 nan 0.000 0.453 341 C N -1.613 117.750 119.300 0.106 0.000 2.376 341 C HA -0.160 4.301 4.460 0.001 0.000 0.275 341 C C 2.610 177.708 174.990 0.181 0.000 1.200 341 C CA 1.407 60.491 59.018 0.111 0.000 1.756 341 C CB -1.350 26.514 27.740 0.206 0.000 2.050 341 C HN 0.467 nan 8.230 nan 0.000 0.460 342 V N 0.690 120.705 119.914 0.169 0.000 2.568 342 V HA -0.181 3.940 4.120 0.001 0.000 0.253 342 V C 2.136 178.286 176.094 0.094 0.000 1.072 342 V CA 1.781 64.151 62.300 0.117 0.000 1.084 342 V CB -0.373 31.496 31.823 0.077 0.000 0.676 342 V HN 0.562 nan 8.190 nan 0.000 0.469 343 L N -2.215 119.074 121.223 0.109 0.000 2.131 343 L HA -0.064 4.277 4.340 0.001 0.000 0.206 343 L C 2.334 179.249 176.870 0.077 0.000 1.087 343 L CA 1.194 56.072 54.840 0.063 0.000 0.767 343 L CB -0.618 41.458 42.059 0.028 0.000 0.917 343 L HN 0.261 nan 8.230 nan 0.000 0.441 344 F N 0.625 120.547 119.950 -0.048 0.000 2.171 344 F HA -0.189 4.339 4.527 0.001 0.000 0.300 344 F C 2.365 178.167 175.800 0.003 0.000 1.090 344 F CA 1.418 59.374 58.000 -0.072 0.000 1.293 344 F CB -0.431 38.465 39.000 -0.173 0.000 1.013 344 F HN -0.072 nan 8.300 nan 0.000 0.486 345 I N -0.595 120.111 120.570 0.227 0.000 2.315 345 I HA -0.298 3.872 4.170 0.001 0.000 0.248 345 I C 2.250 178.446 176.117 0.131 0.000 1.117 345 I CA 1.054 62.458 61.300 0.174 0.000 1.404 345 I CB -0.530 37.565 38.000 0.158 0.000 1.071 345 I HN 0.103 nan 8.210 nan 0.000 0.419 346 L N 0.265 121.537 121.223 0.083 0.000 2.046 346 L HA -0.257 4.083 4.340 0.001 0.000 0.208 346 L C 2.257 179.233 176.870 0.177 0.000 1.077 346 L CA 1.438 56.320 54.840 0.070 0.000 0.747 346 L CB -0.605 41.447 42.059 -0.012 0.000 0.896 346 L HN 0.268 nan 8.230 nan 0.000 0.432 347 D N -0.091 120.368 120.400 0.098 0.000 2.097 347 D HA -0.236 4.405 4.640 0.001 0.000 0.197 347 D C 2.044 178.393 176.300 0.082 0.000 0.984 347 D CA 1.163 55.198 54.000 0.059 0.000 0.826 347 D CB 0.166 40.932 40.800 -0.057 0.000 0.973 347 D HN 0.209 nan 8.370 nan 0.000 0.460 348 E N -0.086 120.181 120.200 0.112 0.000 2.077 348 E HA -0.189 4.161 4.350 0.001 0.000 0.193 348 E C 2.186 178.855 176.600 0.114 0.000 0.989 348 E CA 1.128 57.605 56.400 0.127 0.000 0.800 348 E CB -0.445 29.357 29.700 0.170 0.000 0.746 348 E HN 0.386 nan 8.360 nan 0.000 0.452 349 M N 0.201 119.883 119.600 0.136 0.000 2.086 349 M HA -0.199 4.282 4.480 0.001 0.000 0.261 349 M C 2.183 178.541 176.300 0.098 0.000 1.067 349 M CA 2.325 57.704 55.300 0.132 0.000 1.116 349 M CB -0.144 32.559 32.600 0.171 0.000 1.348 349 M HN 0.133 nan 8.290 nan 0.000 0.407 350 R N -0.013 120.563 120.500 0.127 0.000 2.115 350 R HA -0.031 4.309 4.340 0.001 0.000 0.226 350 R C 1.778 178.064 176.300 -0.024 0.000 1.100 350 R CA 1.470 57.567 56.100 -0.006 0.000 0.980 350 R CB -0.747 29.499 30.300 -0.090 0.000 0.875 350 R HN 0.320 nan 8.270 nan 0.000 0.445 351 K N 0.483 120.892 120.400 0.015 0.000 2.025 351 K HA -0.006 4.315 4.320 0.001 0.000 0.207 351 K C 1.872 178.478 176.600 0.010 0.000 1.049 351 K CA 1.238 57.530 56.287 0.007 0.000 0.933 351 K CB 0.019 32.534 32.500 0.024 0.000 0.714 351 K HN 0.018 nan 8.250 nan 0.000 0.438 352 K N 0.559 120.976 120.400 0.028 0.000 2.155 352 K HA 0.014 4.335 4.320 0.001 0.000 0.203 352 K C 2.185 178.790 176.600 0.009 0.000 1.052 352 K CA 0.989 57.292 56.287 0.027 0.000 0.948 352 K CB -0.154 32.374 32.500 0.047 0.000 0.728 352 K HN -0.009 nan 8.250 nan 0.000 0.448 353 S N 0.512 116.209 115.700 -0.005 0.000 2.368 353 S HA -0.088 4.382 4.470 0.001 0.000 0.224 353 S C 1.997 176.574 174.600 -0.039 0.000 1.029 353 S CA 1.592 59.775 58.200 -0.029 0.000 0.988 353 S CB -0.214 62.946 63.200 -0.067 0.000 0.838 353 S HN 0.353 nan 8.310 nan 0.000 0.462 354 T N 1.803 116.329 114.554 -0.047 0.000 2.770 354 T HA -0.109 4.242 4.350 0.001 0.000 0.263 354 T C 1.956 176.639 174.700 -0.028 0.000 1.039 354 T CA 1.295 63.366 62.100 -0.048 0.000 1.142 354 T CB -0.315 68.519 68.868 -0.056 0.000 0.868 354 T HN 0.429 nan 8.240 nan 0.000 0.435 355 Q N 1.032 120.823 119.800 -0.016 0.000 2.077 355 Q HA -0.150 4.190 4.340 0.001 0.000 0.206 355 Q C 1.132 177.129 176.000 -0.005 0.000 0.989 355 Q CA 1.456 57.255 55.803 -0.006 0.000 0.853 355 Q CB -0.073 28.667 28.738 0.004 0.000 0.907 355 Q HN 0.312 nan 8.270 nan 0.000 0.418 356 N N -0.566 118.132 118.700 -0.003 0.000 2.362 356 N HA 0.108 4.849 4.740 0.001 0.000 0.204 356 N C 0.090 175.597 175.510 -0.005 0.000 1.166 356 N CA 0.880 53.930 53.050 -0.001 0.000 0.831 356 N CB 0.593 39.083 38.487 0.006 0.000 1.008 356 N HN 0.446 nan 8.380 nan 0.000 0.472 357 G N 0.525 109.318 108.800 -0.012 0.000 2.225 357 G HA2 -0.287 3.673 3.960 0.001 0.000 0.267 357 G HA3 -0.287 3.673 3.960 0.001 0.000 0.267 357 G C 0.099 174.989 174.900 -0.017 0.000 1.024 357 G CA 0.101 45.192 45.100 -0.015 0.000 0.784 357 G HN 0.313 nan 8.290 nan 0.000 0.507 358 L N -1.045 120.166 121.223 -0.020 0.000 2.476 358 L HA 0.292 4.633 4.340 0.001 0.000 0.255 358 L C 1.927 178.776 176.870 -0.033 0.000 1.218 358 L CA -0.528 54.300 54.840 -0.021 0.000 0.819 358 L CB 0.250 42.297 42.059 -0.019 0.000 1.119 358 L HN -0.041 nan 8.230 nan 0.000 0.485 359 K N -0.065 120.318 120.400 -0.029 0.000 2.296 359 K HA 0.015 4.335 4.320 0.001 0.000 0.200 359 K C 0.649 177.213 176.600 -0.060 0.000 1.048 359 K CA 0.797 57.062 56.287 -0.035 0.000 0.966 359 K CB 0.088 32.576 32.500 -0.019 0.000 0.754 359 K HN 0.857 nan 8.250 nan 0.000 0.466 360 T N -2.901 111.607 114.554 -0.077 0.000 2.864 360 T HA 0.160 4.511 4.350 0.001 0.000 0.289 360 T C 1.048 175.638 174.700 -0.184 0.000 1.082 360 T CA -0.579 61.445 62.100 -0.127 0.000 1.009 360 T CB 1.718 70.517 68.868 -0.116 0.000 1.234 360 T HN 0.034 nan 8.240 nan 0.000 0.526 361 T N -2.397 111.983 114.554 -0.291 0.000 3.085 361 T HA 0.219 4.569 4.350 0.001 0.000 0.263 361 T C 1.443 175.918 174.700 -0.375 0.000 1.127 361 T CA 0.538 62.404 62.100 -0.389 0.000 1.103 361 T CB -0.553 67.883 68.868 -0.720 0.000 0.921 361 T HN 0.983 nan 8.240 nan 0.000 0.510 362 G N 1.232 109.740 108.800 -0.486 0.000 4.178 362 G HA2 0.412 4.373 3.960 0.001 0.000 0.287 362 G HA3 0.412 4.373 3.960 0.001 0.000 0.287 362 G C -0.107 174.572 174.900 -0.368 0.000 1.293 362 G CA -0.728 43.791 45.100 -0.967 0.000 1.393 362 G HN 0.520 nan 8.290 nan 0.000 0.623 363 E N -0.976 119.131 120.200 -0.155 0.000 2.586 363 E HA -0.280 4.070 4.350 0.001 0.000 0.259 363 E C 1.515 178.124 176.600 0.015 0.000 1.107 363 E CA 0.539 56.931 56.400 -0.013 0.000 0.754 363 E CB -1.422 28.324 29.700 0.076 0.000 1.335 363 E HN 1.269 nan 8.360 nan 0.000 0.411 364 G N -0.786 108.001 108.800 -0.021 0.000 2.179 364 G HA2 -0.326 3.635 3.960 0.001 0.000 0.260 364 G HA3 -0.326 3.635 3.960 0.001 0.000 0.260 364 G C 0.272 175.203 174.900 0.052 0.000 0.977 364 G CA 0.575 45.681 45.100 0.009 0.000 0.641 364 G HN 0.262 nan 8.290 nan 0.000 0.533 365 L N -0.399 120.887 121.223 0.105 0.000 2.358 365 L HA 0.610 4.950 4.340 0.001 0.000 0.268 365 L C 1.483 178.489 176.870 0.227 0.000 1.032 365 L CA -0.492 54.471 54.840 0.205 0.000 0.805 365 L CB 1.407 43.664 42.059 0.331 0.000 1.253 365 L HN 0.211 nan 8.230 nan 0.000 0.452 366 E N 0.814 121.134 120.200 0.200 0.000 2.042 366 E HA -0.022 4.329 4.350 0.001 0.000 0.189 366 E C -0.441 176.153 176.600 -0.010 0.000 0.974 366 E CA 0.594 57.016 56.400 0.036 0.000 0.806 366 E CB 0.226 29.899 29.700 -0.045 0.000 0.769 366 E HN 0.475 nan 8.360 nan 0.000 0.451 367 W N -0.439 120.996 121.300 0.224 0.000 2.578 367 W HA 0.613 5.274 4.660 0.001 0.000 0.346 367 W C 0.227 176.494 176.519 -0.421 0.000 1.075 367 W CA -0.391 56.988 57.345 0.057 0.000 1.233 367 W CB 1.853 31.367 29.460 0.089 0.000 1.358 367 W HN 0.091 nan 8.180 nan 0.000 0.574 368 G N 0.068 108.524 108.800 -0.574 0.000 2.708 368 G HA2 0.614 4.574 3.960 0.001 0.000 0.289 368 G HA3 0.614 4.574 3.960 0.001 0.000 0.289 368 G C -2.273 172.280 174.900 -0.578 0.000 1.416 368 G CA -0.783 43.422 45.100 -1.492 0.000 0.829 368 G HN 0.482 nan 8.290 nan 0.000 0.480 369 V N 0.016 119.521 119.914 -0.683 0.000 2.841 369 V HA 0.811 4.932 4.120 0.001 0.000 0.310 369 V C -1.319 174.405 176.094 -0.617 0.000 1.090 369 V CA -0.861 61.087 62.300 -0.586 0.000 0.930 369 V CB 1.767 33.170 31.823 -0.699 0.000 1.014 369 V HN 0.879 nan 8.190 nan 0.000 0.425 370 L N 6.098 126.972 121.223 -0.581 0.000 2.362 370 L HA 0.727 5.067 4.340 0.001 0.000 0.275 370 L C -1.752 174.792 176.870 -0.544 0.000 0.998 370 L CA -0.260 54.336 54.840 -0.408 0.000 0.820 370 L CB 1.692 43.601 42.059 -0.249 0.000 1.270 370 L HN 0.645 nan 8.230 nan 0.000 0.415 371 F N 2.796 122.644 119.950 -0.170 0.000 2.482 371 F HA 0.698 5.226 4.527 0.001 0.000 0.331 371 F C 0.733 176.232 175.800 -0.502 0.000 1.115 371 F CA -0.672 57.144 58.000 -0.305 0.000 0.955 371 F CB 2.231 41.038 39.000 -0.321 0.000 1.136 371 F HN 0.506 nan 8.300 nan 0.000 0.452 372 G N 2.696 111.355 108.800 -0.235 0.000 2.416 372 G HA2 0.701 4.661 3.960 0.001 0.000 0.329 372 G HA3 0.701 4.661 3.960 0.001 0.000 0.329 372 G C -1.663 173.061 174.900 -0.293 0.000 1.173 372 G CA -0.472 44.470 45.100 -0.262 0.000 0.929 372 G HN 0.492 nan 8.290 nan 0.000 0.475 373 F N 0.311 120.396 119.950 0.224 0.000 2.565 373 F HA 0.816 5.343 4.527 0.001 0.000 0.313 373 F C 0.681 176.617 175.800 0.226 0.000 1.091 373 F CA -0.433 57.700 58.000 0.222 0.000 0.915 373 F CB 2.980 42.117 39.000 0.228 0.000 1.208 373 F HN 0.889 nan 8.300 nan 0.000 0.453 374 G N 1.181 110.271 108.800 0.484 0.000 2.427 374 G HA2 0.459 4.419 3.960 0.001 0.000 0.306 374 G HA3 0.459 4.419 3.960 0.001 0.000 0.306 374 G C -3.404 171.750 174.900 0.423 0.000 1.280 374 G CA -1.134 44.231 45.100 0.440 0.000 0.837 374 G HN 0.220 nan 8.290 nan 0.000 0.482 375 P HA 0.320 nan 4.420 nan 0.000 0.263 375 P C 0.854 178.308 177.300 0.257 0.000 1.175 375 P CA 1.982 65.273 63.100 0.317 0.000 0.761 375 P CB 1.004 32.895 31.700 0.318 0.000 0.794 376 G N 2.586 111.476 108.800 0.149 0.000 4.220 376 G HA2 -0.140 3.820 3.960 0.001 0.000 0.197 376 G HA3 -0.140 3.820 3.960 0.001 0.000 0.197 376 G C -0.399 174.534 174.900 0.054 0.000 1.518 376 G CA -0.449 44.693 45.100 0.071 0.000 0.955 376 G HN 0.583 nan 8.290 nan 0.000 0.353 377 L N 3.276 124.529 121.223 0.050 0.000 2.418 377 L HA 0.614 4.955 4.340 0.001 0.000 0.274 377 L C -0.141 176.740 176.870 0.018 0.000 1.135 377 L CA 0.196 55.074 54.840 0.063 0.000 0.870 377 L CB 1.043 43.136 42.059 0.056 0.000 1.154 377 L HN 0.252 nan 8.230 nan 0.000 0.462 378 T N 6.474 121.021 114.554 -0.010 0.000 2.829 378 T HA 0.528 4.878 4.350 0.001 0.000 0.282 378 T C -0.143 174.548 174.700 -0.015 0.000 0.990 378 T CA -0.197 61.793 62.100 -0.184 0.000 1.028 378 T CB 0.975 69.385 68.868 -0.764 0.000 0.951 378 T HN 0.391 nan 8.240 nan 0.000 0.460 379 I N 2.968 123.541 120.570 0.006 0.000 2.389 379 I HA 0.307 4.478 4.170 0.001 0.000 0.288 379 I C 0.162 176.319 176.117 0.067 0.000 0.999 379 I CA -0.774 60.626 61.300 0.167 0.000 1.129 379 I CB 1.495 39.632 38.000 0.228 0.000 1.288 379 I HN 0.400 nan 8.210 nan 0.000 0.444 380 E N 4.809 125.053 120.200 0.074 0.000 2.197 380 E HA 0.426 4.776 4.350 0.001 0.000 0.281 380 E C -0.809 175.842 176.600 0.084 0.000 0.995 380 E CA -0.338 56.078 56.400 0.027 0.000 0.808 380 E CB 2.252 31.965 29.700 0.022 0.000 1.093 380 E HN 0.431 nan 8.360 nan 0.000 0.394 381 T N 1.635 116.197 114.554 0.014 0.000 2.824 381 T HA 0.429 4.779 4.350 0.001 0.000 0.282 381 T C -0.430 174.177 174.700 -0.156 0.000 0.993 381 T CA -0.559 61.493 62.100 -0.079 0.000 0.967 381 T CB 1.390 70.328 68.868 0.117 0.000 0.960 381 T HN 0.089 nan 8.240 nan 0.000 0.441 382 V N 3.594 123.364 119.914 -0.240 0.000 2.483 382 V HA 0.393 4.513 4.120 0.001 0.000 0.297 382 V C -0.143 175.852 176.094 -0.165 0.000 1.027 382 V CA -0.867 61.336 62.300 -0.162 0.000 0.855 382 V CB 1.896 33.624 31.823 -0.158 0.000 0.995 382 V HN 0.720 nan 8.190 nan 0.000 0.424 383 V N 6.853 126.741 119.914 -0.043 0.000 2.461 383 V HA 0.444 4.564 4.120 0.001 0.000 0.275 383 V C -0.006 176.122 176.094 0.056 0.000 1.047 383 V CA -0.111 62.157 62.300 -0.054 0.000 0.955 383 V CB 1.224 32.965 31.823 -0.137 0.000 0.988 383 V HN 0.623 nan 8.190 nan 0.000 0.471 384 L N 5.164 126.415 121.223 0.047 0.000 2.333 384 L HA 0.712 5.052 4.340 0.001 0.000 0.269 384 L C -0.097 176.873 176.870 0.167 0.000 1.010 384 L CA -0.757 54.146 54.840 0.105 0.000 0.818 384 L CB 2.095 44.190 42.059 0.060 0.000 1.306 384 L HN 0.536 nan 8.230 nan 0.000 0.430 385 R N 0.563 121.131 120.500 0.113 0.000 2.562 385 R HA 0.517 4.857 4.340 0.001 0.000 0.298 385 R C -0.296 176.117 176.300 0.187 0.000 0.961 385 R CA -0.400 55.617 56.100 -0.137 0.000 0.881 385 R CB 1.881 31.845 30.300 -0.561 0.000 1.159 385 R HN 0.834 nan 8.270 nan 0.000 0.450 386 S N 1.679 117.513 115.700 0.223 0.000 2.634 386 S HA 0.407 4.878 4.470 0.001 0.000 0.261 386 S C -0.128 174.410 174.600 -0.104 0.000 1.271 386 S CA -0.691 57.549 58.200 0.067 0.000 0.985 386 S CB 1.389 64.546 63.200 -0.071 0.000 0.968 386 S HN 0.283 nan 8.310 nan 0.000 0.568 387 V N 0.831 120.620 119.914 -0.209 0.000 2.680 387 V HA 0.703 4.823 4.120 0.001 0.000 0.309 387 V C 0.525 176.522 176.094 -0.161 0.000 1.052 387 V CA -0.795 61.400 62.300 -0.176 0.000 0.908 387 V CB 1.390 33.097 31.823 -0.192 0.000 1.001 387 V HN 1.226 nan 8.190 nan 0.000 0.431 388 A N 4.796 127.548 122.820 -0.113 0.000 2.520 388 A HA 0.576 4.896 4.320 0.001 0.000 0.245 388 A C 0.027 177.553 177.584 -0.098 0.000 1.072 388 A CA 0.284 52.267 52.037 -0.091 0.000 0.761 388 A CB -0.489 18.473 19.000 -0.064 0.000 1.004 388 A HN 0.965 nan 8.150 nan 0.000 0.499 389 I N 0.000 120.515 120.570 -0.092 0.000 2.984 389 I HA 0.000 4.170 4.170 0.001 0.000 0.288 389 I CA 0.000 61.248 61.300 -0.086 0.000 1.566 389 I CB 0.000 37.960 38.000 -0.066 0.000 1.214 389 I HN 0.000 nan 8.210 nan 0.000 0.494