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 1lgt_1_A DATA FIRST_RESID 2 DATA SEQUENCE SIRSLGYMGF AVSDVAAWRS FLTQKLGLME AGTTDNGDLF RIDSRAWRIA DATA SEQUENCE VQQGEVDDLA FAGYEVADAA GLAQMADKLK QAGIAVTTGD ASLARRRGVT DATA SEQUENCE GLITFADPFG LPLEIYYGAS EVFEKPFLPG AAVSGFLTGE QGLGHFVRCV DATA SEQUENCE PDSDKALAFY TDVLGFQLSD VIDMKMGPDV TVPAYFLHCN ERHHTLAIAA DATA SEQUENCE FPLPKRIHHF MLEVASLDDV GFAFDRVDAD GLITSTLGRH TNDHMVSFYA DATA SEQUENCE STPSGVEVEY GWSARTVDRS WVVVRHDSPS MWGHKSV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.492 174.600 -0.179 0.000 1.055 2 S CA 0.000 58.103 58.200 -0.161 0.000 1.107 2 S CB 0.000 63.102 63.200 -0.162 0.000 0.593 3 I N 2.587 123.010 120.570 -0.246 0.000 2.618 3 I HA 0.174 4.353 4.170 0.015 0.000 0.284 3 I C 1.418 177.385 176.117 -0.250 0.000 1.146 3 I CA -0.468 60.675 61.300 -0.262 0.000 1.425 3 I CB 0.455 38.199 38.000 -0.427 0.000 1.383 3 I HN 0.619 nan 8.210 nan 0.000 0.562 4 R N 3.466 123.866 120.500 -0.167 0.000 2.206 4 R HA 0.189 4.538 4.340 0.015 0.000 0.198 4 R C 0.238 176.488 176.300 -0.082 0.000 0.986 4 R CA 0.365 56.392 56.100 -0.121 0.000 1.029 4 R CB -0.038 30.211 30.300 -0.085 0.000 0.966 4 R HN 0.828 nan 8.270 nan 0.000 0.487 5 S N -1.022 114.653 115.700 -0.041 0.000 2.656 5 S HA 0.218 4.697 4.470 0.015 0.000 0.265 5 S C -1.511 173.204 174.600 0.191 0.000 1.110 5 S CA -1.091 57.140 58.200 0.052 0.000 0.821 5 S CB 0.527 63.748 63.200 0.035 0.000 1.099 5 S HN 0.004 nan 8.310 nan 0.000 0.471 6 L N 2.094 123.458 121.223 0.235 0.000 2.313 6 L HA 0.775 5.124 4.340 0.015 0.000 0.282 6 L C 1.003 177.909 176.870 0.060 0.000 1.092 6 L CA 0.971 55.935 54.840 0.206 0.000 0.831 6 L CB 0.612 42.782 42.059 0.184 0.000 1.159 6 L HN 1.049 nan 8.230 nan 0.000 0.442 7 G N 4.453 113.242 108.800 -0.019 0.000 2.576 7 G HA2 0.129 4.098 3.960 0.015 0.000 0.210 7 G HA3 0.129 4.098 3.960 0.015 0.000 0.210 7 G C -0.449 174.389 174.900 -0.104 0.000 1.143 7 G CA 0.814 45.922 45.100 0.013 0.000 0.819 7 G HN 0.691 nan 8.290 nan 0.000 0.534 8 Y N -2.372 117.844 120.300 -0.139 0.000 2.713 8 Y HA 0.778 5.337 4.550 0.015 0.000 0.335 8 Y C -1.122 174.663 175.900 -0.192 0.000 1.222 8 Y CA -2.560 55.345 58.100 -0.326 0.000 1.061 8 Y CB 0.852 38.795 38.460 -0.863 0.000 1.314 8 Y HN -0.076 nan 8.280 nan 0.000 0.453 9 M N 1.238 120.877 119.600 0.065 0.000 2.484 9 M HA 0.707 5.196 4.480 0.015 0.000 0.289 9 M C -0.633 175.359 176.300 -0.513 0.000 1.206 9 M CA -0.838 54.288 55.300 -0.290 0.000 0.892 9 M CB 3.052 35.352 32.600 -0.500 0.000 1.712 9 M HN 1.064 nan 8.290 nan 0.000 0.462 10 G N 1.534 109.560 108.800 -1.290 0.000 2.513 10 G HA2 0.820 4.789 3.960 0.015 0.000 0.317 10 G HA3 0.820 4.789 3.960 0.015 0.000 0.317 10 G C -1.843 172.294 174.900 -1.272 0.000 1.277 10 G CA -0.286 43.969 45.100 -1.409 0.000 0.955 10 G HN 0.479 nan 8.290 nan 0.000 0.484 11 F N 0.819 120.414 119.950 -0.592 0.000 2.508 11 F HA 0.678 5.214 4.527 0.014 0.000 0.325 11 F C 0.492 176.008 175.800 -0.473 0.000 1.090 11 F CA -0.838 56.812 58.000 -0.583 0.000 0.945 11 F CB 2.793 41.266 39.000 -0.878 0.000 1.156 11 F HN 0.601 nan 8.300 nan 0.000 0.463 12 A N 2.972 125.681 122.820 -0.185 0.000 2.267 12 A HA 0.755 5.084 4.320 0.015 0.000 0.315 12 A C -0.895 176.584 177.584 -0.175 0.000 1.297 12 A CA -0.595 51.352 52.037 -0.150 0.000 0.865 12 A CB 0.451 19.401 19.000 -0.083 0.000 1.165 12 A HN 0.808 nan 8.150 nan 0.000 0.513 13 V N 0.916 120.695 119.914 -0.225 0.000 3.001 13 V HA 0.747 4.876 4.120 0.015 0.000 0.314 13 V C 0.831 176.886 176.094 -0.065 0.000 1.099 13 V CA 0.137 62.320 62.300 -0.195 0.000 0.989 13 V CB 1.570 33.105 31.823 -0.481 0.000 1.040 13 V HN 1.114 nan 8.190 nan 0.000 0.434 14 S N -0.246 115.457 115.700 0.006 0.000 2.470 14 S HA 0.069 4.548 4.470 0.015 0.000 0.225 14 S C 0.574 175.203 174.600 0.048 0.000 1.006 14 S CA 0.984 59.199 58.200 0.024 0.000 0.934 14 S CB -0.175 63.044 63.200 0.032 0.000 0.778 14 S HN 0.916 nan 8.310 nan 0.000 0.517 15 D N 1.180 121.639 120.400 0.098 0.000 2.432 15 D HA 0.378 5.027 4.640 0.015 0.000 0.265 15 D C 0.870 177.280 176.300 0.184 0.000 1.160 15 D CA -0.373 53.700 54.000 0.122 0.000 0.911 15 D CB 1.307 42.177 40.800 0.118 0.000 1.052 15 D HN 0.006 nan 8.370 nan 0.000 0.508 16 V N 2.552 122.537 119.914 0.119 0.000 2.407 16 V HA -0.219 3.910 4.120 0.015 0.000 0.248 16 V C 2.505 178.718 176.094 0.199 0.000 1.055 16 V CA 2.162 64.546 62.300 0.140 0.000 1.049 16 V CB -0.515 31.358 31.823 0.083 0.000 0.662 16 V HN 0.583 nan 8.190 nan 0.000 0.455 17 A N -0.078 122.830 122.820 0.148 0.000 1.930 17 A HA -0.051 4.278 4.320 0.015 0.000 0.217 17 A C 2.415 180.087 177.584 0.148 0.000 1.175 17 A CA 1.881 54.001 52.037 0.138 0.000 0.627 17 A CB -0.653 18.402 19.000 0.091 0.000 0.815 17 A HN 0.556 nan 8.150 nan 0.000 0.443 18 A N -1.583 121.320 122.820 0.139 0.000 1.898 18 A HA -0.121 4.208 4.320 0.015 0.000 0.216 18 A C 1.933 179.576 177.584 0.098 0.000 1.181 18 A CA 1.333 53.422 52.037 0.088 0.000 0.620 18 A CB -0.796 18.226 19.000 0.036 0.000 0.819 18 A HN 0.711 nan 8.150 nan 0.000 0.442 19 W N -0.069 121.234 121.300 0.006 0.000 2.388 19 W HA -0.057 4.612 4.660 0.015 0.000 0.294 19 W C 2.565 179.070 176.519 -0.023 0.000 1.212 19 W CA 1.679 59.013 57.345 -0.017 0.000 1.271 19 W CB -0.149 29.265 29.460 -0.075 0.000 1.126 19 W HN 0.348 nan 8.180 nan 0.000 0.535 20 R N -0.130 120.540 120.500 0.282 0.000 2.073 20 R HA -0.188 4.161 4.340 0.015 0.000 0.234 20 R C 2.410 178.830 176.300 0.200 0.000 1.134 20 R CA 1.983 58.266 56.100 0.305 0.000 0.952 20 R CB -0.841 29.685 30.300 0.376 0.000 0.850 20 R HN 0.048 nan 8.270 nan 0.000 0.433 21 S N -0.409 115.384 115.700 0.156 0.000 2.368 21 S HA -0.163 4.316 4.470 0.015 0.000 0.224 21 S C 1.665 176.312 174.600 0.078 0.000 1.029 21 S CA 1.193 59.458 58.200 0.107 0.000 0.988 21 S CB -0.432 62.820 63.200 0.087 0.000 0.838 21 S HN 0.464 nan 8.310 nan 0.000 0.462 22 F N 2.136 122.025 119.950 -0.101 0.000 2.102 22 F HA 0.003 4.540 4.527 0.016 0.000 0.298 22 F C 1.855 177.569 175.800 -0.143 0.000 1.105 22 F CA 1.555 59.447 58.000 -0.179 0.000 1.239 22 F CB -0.468 38.317 39.000 -0.358 0.000 0.991 22 F HN 0.188 nan 8.300 nan 0.000 0.474 23 L N -0.341 120.799 121.223 -0.140 0.000 2.046 23 L HA -0.197 4.152 4.340 0.015 0.000 0.208 23 L C 2.536 179.364 176.870 -0.072 0.000 1.077 23 L CA 1.844 56.564 54.840 -0.200 0.000 0.747 23 L CB -1.242 40.594 42.059 -0.370 0.000 0.896 23 L HN 0.361 nan 8.230 nan 0.000 0.432 24 T N -3.588 110.981 114.554 0.025 0.000 2.781 24 T HA -0.123 4.236 4.350 0.015 0.000 0.252 24 T C 1.800 176.522 174.700 0.037 0.000 1.039 24 T CA 0.507 62.672 62.100 0.108 0.000 1.147 24 T CB -0.309 68.670 68.868 0.184 0.000 0.865 24 T HN 0.269 nan 8.240 nan 0.000 0.423 25 Q N 0.477 120.276 119.800 -0.001 0.000 2.123 25 Q HA 0.048 4.397 4.340 0.015 0.000 0.199 25 Q C 2.439 178.387 176.000 -0.087 0.000 0.966 25 Q CA 0.814 56.602 55.803 -0.026 0.000 0.845 25 Q CB 0.048 28.779 28.738 -0.012 0.000 0.907 25 Q HN 0.355 nan 8.270 nan 0.000 0.439 26 K N 0.478 120.761 120.400 -0.195 0.000 2.078 26 K HA 0.072 4.401 4.320 0.015 0.000 0.203 26 K C 2.009 178.406 176.600 -0.339 0.000 1.043 26 K CA 0.762 56.861 56.287 -0.314 0.000 0.960 26 K CB -0.042 32.114 32.500 -0.572 0.000 0.761 26 K HN 0.187 nan 8.250 nan 0.000 0.448 27 L N -0.252 120.746 121.223 -0.374 0.000 2.446 27 L HA 0.140 4.489 4.340 0.015 0.000 0.219 27 L C 1.062 178.084 176.870 0.252 0.000 1.116 27 L CA 0.660 55.404 54.840 -0.160 0.000 0.844 27 L CB -0.249 41.749 42.059 -0.102 0.000 0.970 27 L HN 0.454 nan 8.230 nan 0.000 0.457 28 G N 0.508 109.422 108.800 0.191 0.000 2.141 28 G HA2 -0.238 3.731 3.960 0.015 0.000 0.242 28 G HA3 -0.238 3.731 3.960 0.015 0.000 0.242 28 G C 0.003 175.187 174.900 0.473 0.000 0.982 28 G CA -0.301 44.995 45.100 0.327 0.000 0.662 28 G HN 0.109 nan 8.290 nan 0.000 0.527 29 L N 0.047 121.491 121.223 0.368 0.000 2.472 29 L HA 0.629 4.978 4.340 0.015 0.000 0.260 29 L C 1.100 178.179 176.870 0.348 0.000 1.209 29 L CA 0.055 55.107 54.840 0.353 0.000 0.817 29 L CB 0.731 42.947 42.059 0.262 0.000 1.106 29 L HN 0.378 nan 8.230 nan 0.000 0.479 30 M N 1.328 121.154 119.600 0.377 0.000 2.180 30 M HA 0.295 4.784 4.480 0.015 0.000 0.350 30 M C -0.534 175.884 176.300 0.197 0.000 1.125 30 M CA -0.406 55.016 55.300 0.203 0.000 1.031 30 M CB 0.820 33.474 32.600 0.090 0.000 1.623 30 M HN 0.516 nan 8.290 nan 0.000 0.451 31 E N 3.347 123.605 120.200 0.097 0.000 2.366 31 E HA 0.182 4.541 4.350 0.015 0.000 0.266 31 E C -0.153 176.372 176.600 -0.125 0.000 1.015 31 E CA 0.028 56.361 56.400 -0.111 0.000 0.906 31 E CB 0.752 30.413 29.700 -0.065 0.000 0.979 31 E HN 0.738 nan 8.360 nan 0.000 0.443 32 A N 3.734 126.420 122.820 -0.223 0.000 2.676 32 A HA 0.517 4.846 4.320 0.015 0.000 0.297 32 A C 0.517 178.014 177.584 -0.145 0.000 1.132 32 A CA 0.244 52.214 52.037 -0.111 0.000 0.972 32 A CB -0.010 18.980 19.000 -0.017 0.000 1.197 32 A HN 0.783 nan 8.150 nan 0.000 0.524 33 G N -0.813 107.878 108.800 -0.183 0.000 2.757 33 G HA2 0.097 4.066 3.960 0.015 0.000 0.638 33 G HA3 0.097 4.066 3.960 0.015 0.000 0.638 33 G C -0.437 174.346 174.900 -0.196 0.000 1.344 33 G CA -0.328 44.678 45.100 -0.157 0.000 0.855 33 G HN 0.848 nan 8.290 nan 0.000 0.537 34 T N 0.985 115.449 114.554 -0.151 0.000 2.841 34 T HA 0.831 5.190 4.350 0.015 0.000 0.285 34 T C 0.528 175.144 174.700 -0.141 0.000 0.991 34 T CA 0.404 62.414 62.100 -0.150 0.000 0.966 34 T CB 1.712 70.515 68.868 -0.108 0.000 0.962 34 T HN 1.615 nan 8.240 nan 0.000 0.438 35 T N -1.549 112.903 114.554 -0.171 0.000 2.669 35 T HA 0.414 4.773 4.350 0.015 0.000 0.283 35 T C 0.389 174.991 174.700 -0.163 0.000 1.019 35 T CA -0.658 61.343 62.100 -0.165 0.000 1.039 35 T CB 1.017 69.762 68.868 -0.204 0.000 1.374 35 T HN 0.391 nan 8.240 nan 0.000 0.523 36 D N -0.244 120.063 120.400 -0.156 0.000 2.392 36 D HA -0.057 4.592 4.640 0.015 0.000 0.228 36 D C 1.103 177.295 176.300 -0.181 0.000 1.003 36 D CA 0.495 54.410 54.000 -0.142 0.000 0.917 36 D CB -0.601 40.124 40.800 -0.124 0.000 0.890 36 D HN 0.512 nan 8.370 nan 0.000 0.532 37 N N 0.097 118.644 118.700 -0.254 0.000 2.336 37 N HA 0.201 4.950 4.740 0.015 0.000 0.189 37 N C 0.646 175.986 175.510 -0.284 0.000 1.113 37 N CA 0.718 53.565 53.050 -0.338 0.000 0.858 37 N CB 0.609 38.746 38.487 -0.584 0.000 0.970 37 N HN 0.332 nan 8.380 nan 0.000 0.471 38 G N -0.407 108.270 108.800 -0.205 0.000 2.582 38 G HA2 -0.198 3.771 3.960 0.015 0.000 0.222 38 G HA3 -0.198 3.771 3.960 0.015 0.000 0.222 38 G C -1.480 173.330 174.900 -0.150 0.000 1.311 38 G CA -0.597 44.420 45.100 -0.138 0.000 0.915 38 G HN 0.213 nan 8.290 nan 0.000 0.528 39 D N 0.766 121.125 120.400 -0.069 0.000 2.351 39 D HA 0.478 5.127 4.640 0.015 0.000 0.251 39 D C 0.651 176.848 176.300 -0.172 0.000 1.137 39 D CA 0.323 54.254 54.000 -0.115 0.000 0.879 39 D CB 1.068 41.892 40.800 0.040 0.000 1.181 39 D HN 0.473 nan 8.370 nan 0.000 0.448 40 L N 2.215 123.209 121.223 -0.381 0.000 2.322 40 L HA 0.512 4.861 4.340 0.015 0.000 0.279 40 L C -0.439 176.119 176.870 -0.520 0.000 1.036 40 L CA -0.792 53.892 54.840 -0.261 0.000 0.807 40 L CB 0.757 42.696 42.059 -0.200 0.000 1.226 40 L HN 0.178 nan 8.230 nan 0.000 0.433 41 F N 0.751 120.813 119.950 0.186 0.000 2.565 41 F HA 0.615 5.151 4.527 0.014 0.000 0.313 41 F C 0.066 175.973 175.800 0.180 0.000 1.091 41 F CA -0.701 57.404 58.000 0.175 0.000 0.915 41 F CB 1.940 41.045 39.000 0.175 0.000 1.208 41 F HN 0.298 nan 8.300 nan 0.000 0.453 42 R N 2.239 122.928 120.500 0.316 0.000 2.832 42 R HA 0.722 5.071 4.340 0.015 0.000 0.271 42 R C 0.260 176.656 176.300 0.161 0.000 0.996 42 R CA -0.790 55.441 56.100 0.218 0.000 0.977 42 R CB 2.170 32.624 30.300 0.256 0.000 1.168 42 R HN 0.839 nan 8.270 nan 0.000 0.482 43 I N -3.506 116.933 120.570 -0.218 0.000 4.670 43 I HA 0.351 4.530 4.170 0.015 0.000 0.339 43 I C -0.499 174.969 176.117 -1.082 0.000 1.310 43 I CA -0.315 60.526 61.300 -0.764 0.000 1.288 43 I CB 0.628 38.049 38.000 -0.966 0.000 1.427 43 I HN 0.519 nan 8.210 nan 0.000 0.494 44 D N 0.738 120.737 120.400 -0.669 0.000 3.557 44 D HA 0.129 4.778 4.640 0.015 0.000 0.331 44 D C 0.867 177.023 176.300 -0.241 0.000 1.442 44 D CA 0.515 54.219 54.000 -0.493 0.000 0.971 44 D CB 0.144 40.779 40.800 -0.274 0.000 1.423 44 D HN -0.095 nan 8.370 nan 0.000 0.604 45 S N -1.482 114.068 115.700 -0.250 0.000 2.481 45 S HA 0.014 4.493 4.470 0.015 0.000 0.231 45 S C 0.870 175.249 174.600 -0.368 0.000 0.996 45 S CA 0.034 57.975 58.200 -0.431 0.000 0.942 45 S CB -0.403 62.200 63.200 -0.995 0.000 0.768 45 S HN 0.341 nan 8.310 nan 0.000 0.520 46 R N 1.292 121.652 120.500 -0.233 0.000 2.643 46 R HA 0.399 4.748 4.340 0.015 0.000 0.270 46 R C 1.653 177.908 176.300 -0.075 0.000 1.061 46 R CA 0.444 56.448 56.100 -0.160 0.000 1.107 46 R CB -0.123 30.081 30.300 -0.160 0.000 0.999 46 R HN 0.341 nan 8.270 nan 0.000 0.460 47 A N 3.601 126.414 122.820 -0.012 0.000 2.024 47 A HA -0.104 4.225 4.320 0.015 0.000 0.220 47 A C 0.328 178.063 177.584 0.252 0.000 1.164 47 A CA 1.579 53.684 52.037 0.113 0.000 0.643 47 A CB -0.270 18.834 19.000 0.174 0.000 0.806 47 A HN 0.767 nan 8.150 nan 0.000 0.451 48 W N -4.231 117.042 121.300 -0.045 0.000 3.319 48 W HA 0.620 5.290 4.660 0.016 0.000 0.300 48 W C -0.667 175.855 176.519 0.006 0.000 1.244 48 W CA -0.754 56.577 57.345 -0.023 0.000 1.193 48 W CB 0.332 29.757 29.460 -0.058 0.000 1.359 48 W HN -0.166 nan 8.180 nan 0.000 0.568 49 R N 1.116 121.614 120.500 -0.005 0.000 2.470 49 R HA 0.428 4.777 4.340 0.015 0.000 0.210 49 R C 0.133 176.460 176.300 0.044 0.000 0.873 49 R CA 0.242 56.240 56.100 -0.171 0.000 1.015 49 R CB 1.140 31.392 30.300 -0.081 0.000 1.348 49 R HN 0.494 nan 8.270 nan 0.000 0.650 50 I N 0.927 121.711 120.570 0.357 0.000 2.498 50 I HA 0.463 4.642 4.170 0.015 0.000 0.290 50 I C -0.771 175.700 176.117 0.591 0.000 1.032 50 I CA -1.001 60.547 61.300 0.414 0.000 1.073 50 I CB 2.224 40.411 38.000 0.312 0.000 1.251 50 I HN -0.085 nan 8.210 nan 0.000 0.426 51 A N 6.029 129.099 122.820 0.416 0.000 2.350 51 A HA 0.860 5.189 4.320 0.015 0.000 0.324 51 A C -1.036 176.613 177.584 0.108 0.000 1.118 51 A CA -0.527 51.621 52.037 0.185 0.000 0.783 51 A CB 1.674 20.601 19.000 -0.122 0.000 1.236 51 A HN 0.416 nan 8.150 nan 0.000 0.457 52 V N 3.391 123.384 119.914 0.131 0.000 2.407 52 V HA 0.454 4.583 4.120 0.015 0.000 0.291 52 V C -0.233 175.844 176.094 -0.029 0.000 1.018 52 V CA -0.454 61.847 62.300 0.002 0.000 0.842 52 V CB 1.245 33.113 31.823 0.076 0.000 0.996 52 V HN 1.056 nan 8.190 nan 0.000 0.426 53 Q N 2.904 122.649 119.800 -0.093 0.000 2.351 53 Q HA 0.752 5.101 4.340 0.015 0.000 0.273 53 Q C -0.731 175.222 176.000 -0.079 0.000 1.077 53 Q CA -1.104 54.659 55.803 -0.067 0.000 0.843 53 Q CB 2.273 30.983 28.738 -0.047 0.000 1.367 53 Q HN 0.523 nan 8.270 nan 0.000 0.449 54 Q N 0.299 120.069 119.800 -0.049 0.000 2.297 54 Q HA 0.531 4.880 4.340 0.015 0.000 0.267 54 Q C -1.021 174.955 176.000 -0.041 0.000 1.006 54 Q CA 0.781 56.559 55.803 -0.040 0.000 0.896 54 Q CB 0.934 29.659 28.738 -0.021 0.000 1.186 54 Q HN 0.840 nan 8.270 nan 0.000 0.392 55 G N 3.048 111.823 108.800 -0.043 0.000 2.691 55 G HA2 0.172 4.141 3.960 0.015 0.000 0.298 55 G HA3 0.172 4.141 3.960 0.015 0.000 0.298 55 G C -0.562 174.323 174.900 -0.025 0.000 1.471 55 G CA -0.634 44.446 45.100 -0.033 0.000 0.912 55 G HN 0.532 nan 8.290 nan 0.000 0.553 56 E N 1.164 121.357 120.200 -0.012 0.000 2.482 56 E HA -0.061 4.298 4.350 0.015 0.000 0.196 56 E C 2.316 178.917 176.600 0.001 0.000 1.047 56 E CA 0.319 56.718 56.400 -0.002 0.000 0.869 56 E CB 0.749 30.450 29.700 0.001 0.000 0.836 56 E HN 0.331 nan 8.360 nan 0.000 0.520 57 V N 1.305 121.216 119.914 -0.005 0.000 2.548 57 V HA -0.153 3.976 4.120 0.015 0.000 0.249 57 V C -0.123 175.979 176.094 0.013 0.000 1.055 57 V CA 1.073 63.374 62.300 0.002 0.000 1.065 57 V CB -0.287 31.533 31.823 -0.004 0.000 0.681 57 V HN 0.238 nan 8.190 nan 0.000 0.462 58 D N 1.677 122.079 120.400 0.004 0.000 2.803 58 D HA -0.152 4.497 4.640 0.015 0.000 0.233 58 D C -0.276 176.065 176.300 0.068 0.000 1.182 58 D CA 1.500 55.520 54.000 0.035 0.000 0.726 58 D CB -0.682 40.157 40.800 0.065 0.000 0.987 58 D HN 0.730 nan 8.370 nan 0.000 0.412 59 D N -0.827 119.606 120.400 0.055 0.000 2.713 59 D HA 0.295 4.944 4.640 0.015 0.000 0.306 59 D C -1.194 175.157 176.300 0.085 0.000 1.299 59 D CA -0.715 53.346 54.000 0.102 0.000 0.823 59 D CB 0.694 41.523 40.800 0.048 0.000 1.353 59 D HN 0.018 nan 8.370 nan 0.000 0.447 60 L N 1.321 122.551 121.223 0.011 0.000 2.462 60 L HA 0.555 4.904 4.340 0.015 0.000 0.272 60 L C 0.860 177.541 176.870 -0.315 0.000 1.166 60 L CA 0.639 55.271 54.840 -0.347 0.000 0.880 60 L CB 0.653 42.438 42.059 -0.456 0.000 1.142 60 L HN 0.532 nan 8.230 nan 0.000 0.473 61 A N 5.520 128.078 122.820 -0.436 0.000 1.997 61 A HA 0.352 4.681 4.320 0.015 0.000 0.212 61 A C 0.126 177.676 177.584 -0.057 0.000 1.178 61 A CA 0.916 52.830 52.037 -0.206 0.000 0.698 61 A CB -0.267 18.651 19.000 -0.137 0.000 0.842 61 A HN 0.840 nan 8.150 nan 0.000 0.458 62 F N -4.712 115.095 119.950 -0.239 0.000 2.769 62 F HA 0.706 5.241 4.527 0.015 0.000 0.313 62 F C -0.873 174.816 175.800 -0.184 0.000 1.146 62 F CA -1.186 56.716 58.000 -0.163 0.000 0.934 62 F CB 0.607 39.564 39.000 -0.071 0.000 1.283 62 F HN 0.216 nan 8.300 nan 0.000 0.443 63 A N 0.658 123.543 122.820 0.109 0.000 2.449 63 A HA 0.891 5.220 4.320 0.015 0.000 0.302 63 A C -0.743 176.799 177.584 -0.071 0.000 1.048 63 A CA -0.471 51.546 52.037 -0.033 0.000 0.708 63 A CB 1.453 20.403 19.000 -0.083 0.000 1.274 63 A HN 1.839 nan 8.150 nan 0.000 0.410 64 G N 0.517 109.099 108.800 -0.362 0.000 2.478 64 G HA2 0.570 4.539 3.960 0.015 0.000 0.317 64 G HA3 0.570 4.539 3.960 0.015 0.000 0.317 64 G C -1.405 173.206 174.900 -0.482 0.000 1.259 64 G CA -0.244 44.491 45.100 -0.609 0.000 0.933 64 G HN 0.448 nan 8.290 nan 0.000 0.478 65 Y N 0.568 120.873 120.300 0.008 0.000 2.342 65 Y HA 0.400 4.959 4.550 0.014 0.000 0.334 65 Y C 0.660 176.369 175.900 -0.318 0.000 1.067 65 Y CA -0.946 57.134 58.100 -0.034 0.000 1.128 65 Y CB 1.939 40.454 38.460 0.091 0.000 1.200 65 Y HN 0.585 nan 8.280 nan 0.000 0.464 66 E N 3.005 123.038 120.200 -0.278 0.000 2.197 66 E HA 0.571 4.930 4.350 0.015 0.000 0.281 66 E C -1.135 175.272 176.600 -0.320 0.000 0.995 66 E CA -0.744 55.243 56.400 -0.689 0.000 0.808 66 E CB 0.991 30.412 29.700 -0.464 0.000 1.093 66 E HN 0.525 nan 8.360 nan 0.000 0.394 67 V N 0.964 120.704 119.914 -0.291 0.000 3.096 67 V HA 0.649 4.778 4.120 0.015 0.000 0.319 67 V C 0.918 176.964 176.094 -0.080 0.000 1.103 67 V CA 0.010 62.227 62.300 -0.138 0.000 1.016 67 V CB 1.194 32.963 31.823 -0.091 0.000 1.090 67 V HN 0.825 nan 8.190 nan 0.000 0.449 68 A N 1.053 123.836 122.820 -0.062 0.000 1.968 68 A HA 0.211 4.540 4.320 0.015 0.000 0.217 68 A C 0.728 178.314 177.584 0.004 0.000 1.169 68 A CA 1.822 53.844 52.037 -0.026 0.000 0.638 68 A CB -0.848 18.128 19.000 -0.039 0.000 0.812 68 A HN 1.263 nan 8.150 nan 0.000 0.446 69 D N -5.105 115.256 120.400 -0.065 0.000 2.851 69 D HA 0.486 5.135 4.640 0.015 0.000 0.339 69 D C 0.579 176.524 176.300 -0.591 0.000 1.347 69 D CA 0.022 53.919 54.000 -0.173 0.000 0.888 69 D CB 0.422 41.149 40.800 -0.122 0.000 1.431 69 D HN 0.084 nan 8.370 nan 0.000 0.509 70 A N 0.018 122.273 122.820 -0.942 0.000 1.908 70 A HA 0.132 4.461 4.320 0.015 0.000 0.218 70 A C 2.151 179.464 177.584 -0.451 0.000 1.181 70 A CA 3.030 54.433 52.037 -1.057 0.000 0.627 70 A CB -1.414 17.201 19.000 -0.643 0.000 0.818 70 A HN 0.814 nan 8.150 nan 0.000 0.445 71 A N -0.568 122.081 122.820 -0.286 0.000 1.933 71 A HA 0.104 4.433 4.320 0.015 0.000 0.218 71 A C 2.392 179.884 177.584 -0.154 0.000 1.175 71 A CA 1.944 53.879 52.037 -0.171 0.000 0.628 71 A CB -1.323 17.603 19.000 -0.124 0.000 0.814 71 A HN 0.748 nan 8.150 nan 0.000 0.444 72 G N -0.447 108.252 108.800 -0.169 0.000 2.408 72 G HA2 -0.082 3.887 3.960 0.015 0.000 0.217 72 G HA3 -0.082 3.887 3.960 0.015 0.000 0.217 72 G C 1.461 176.294 174.900 -0.112 0.000 1.150 72 G CA 1.117 46.139 45.100 -0.129 0.000 0.776 72 G HN 0.478 nan 8.290 nan 0.000 0.542 73 L N 1.296 122.441 121.223 -0.130 0.000 2.056 73 L HA 0.230 4.579 4.340 0.015 0.000 0.207 73 L C 3.006 179.851 176.870 -0.041 0.000 1.078 73 L CA 2.051 56.867 54.840 -0.040 0.000 0.749 73 L CB -0.660 41.419 42.059 0.033 0.000 0.901 73 L HN 0.207 nan 8.230 nan 0.000 0.433 74 A N -1.107 121.666 122.820 -0.077 0.000 1.933 74 A HA -0.243 4.086 4.320 0.015 0.000 0.218 74 A C 2.186 179.731 177.584 -0.065 0.000 1.175 74 A CA 1.788 53.789 52.037 -0.059 0.000 0.628 74 A CB -0.542 18.417 19.000 -0.068 0.000 0.814 74 A HN 0.658 nan 8.150 nan 0.000 0.444 75 Q N -1.305 118.448 119.800 -0.079 0.000 2.079 75 Q HA -0.125 4.224 4.340 0.015 0.000 0.200 75 Q C 2.146 178.089 176.000 -0.095 0.000 0.974 75 Q CA 1.421 57.173 55.803 -0.084 0.000 0.840 75 Q CB -0.259 28.425 28.738 -0.089 0.000 0.898 75 Q HN 0.526 nan 8.270 nan 0.000 0.430 76 M N -0.005 119.537 119.600 -0.096 0.000 2.175 76 M HA -0.082 4.407 4.480 0.015 0.000 0.264 76 M C 2.270 178.489 176.300 -0.135 0.000 1.063 76 M CA 1.283 56.512 55.300 -0.119 0.000 1.119 76 M CB -1.151 31.394 32.600 -0.091 0.000 1.377 76 M HN 0.227 nan 8.290 nan 0.000 0.415 77 A N 0.436 123.201 122.820 -0.091 0.000 1.902 77 A HA -0.185 4.144 4.320 0.015 0.000 0.217 77 A C 1.898 179.423 177.584 -0.098 0.000 1.181 77 A CA 2.022 54.007 52.037 -0.087 0.000 0.623 77 A CB -0.740 18.242 19.000 -0.031 0.000 0.818 77 A HN 0.379 nan 8.150 nan 0.000 0.443 78 D N -0.623 119.726 120.400 -0.084 0.000 2.117 78 D HA -0.131 4.518 4.640 0.015 0.000 0.197 78 D C 1.900 178.142 176.300 -0.096 0.000 0.987 78 D CA 1.502 55.456 54.000 -0.078 0.000 0.829 78 D CB -0.223 40.537 40.800 -0.067 0.000 0.961 78 D HN 0.576 nan 8.370 nan 0.000 0.460 79 K N 0.276 120.605 120.400 -0.119 0.000 2.057 79 K HA -0.071 4.258 4.320 0.015 0.000 0.207 79 K C 2.205 178.709 176.600 -0.160 0.000 1.049 79 K CA 0.654 56.859 56.287 -0.137 0.000 0.931 79 K CB -0.117 32.288 32.500 -0.158 0.000 0.714 79 K HN 0.082 nan 8.250 nan 0.000 0.440 80 L N 0.831 121.931 121.223 -0.205 0.000 2.046 80 L HA -0.198 4.151 4.340 0.015 0.000 0.208 80 L C 2.399 179.184 176.870 -0.143 0.000 1.077 80 L CA 1.479 56.176 54.840 -0.237 0.000 0.747 80 L CB -0.263 41.556 42.059 -0.399 0.000 0.896 80 L HN 0.146 nan 8.230 nan 0.000 0.432 81 K N -0.670 119.662 120.400 -0.114 0.000 2.057 81 K HA -0.173 4.156 4.320 0.015 0.000 0.207 81 K C 2.155 178.720 176.600 -0.060 0.000 1.049 81 K CA 0.973 57.218 56.287 -0.070 0.000 0.931 81 K CB -0.115 32.352 32.500 -0.055 0.000 0.714 81 K HN 0.239 nan 8.250 nan 0.000 0.440 82 Q N -0.022 119.738 119.800 -0.068 0.000 2.226 82 Q HA -0.082 4.267 4.340 0.015 0.000 0.204 82 Q C 1.785 177.752 176.000 -0.055 0.000 0.975 82 Q CA 1.250 57.018 55.803 -0.058 0.000 0.866 82 Q CB -0.078 28.623 28.738 -0.063 0.000 0.915 82 Q HN 0.313 nan 8.270 nan 0.000 0.440 83 A N -0.590 122.191 122.820 -0.065 0.000 2.251 83 A HA 0.359 4.688 4.320 0.015 0.000 0.209 83 A C 1.420 178.987 177.584 -0.028 0.000 1.187 83 A CA 0.879 52.885 52.037 -0.051 0.000 0.823 83 A CB -0.060 18.899 19.000 -0.069 0.000 0.846 83 A HN 0.389 nan 8.150 nan 0.000 0.486 84 G N -1.203 107.579 108.800 -0.031 0.000 2.141 84 G HA2 -0.197 3.772 3.960 0.015 0.000 0.242 84 G HA3 -0.197 3.772 3.960 0.015 0.000 0.242 84 G C -0.101 174.792 174.900 -0.011 0.000 0.982 84 G CA 0.226 45.315 45.100 -0.020 0.000 0.662 84 G HN 0.340 nan 8.290 nan 0.000 0.527 85 I N 1.534 122.097 120.570 -0.011 0.000 2.428 85 I HA 0.599 4.778 4.170 0.015 0.000 0.289 85 I C 1.007 177.128 176.117 0.008 0.000 1.019 85 I CA -0.304 61.002 61.300 0.011 0.000 1.351 85 I CB 1.572 39.589 38.000 0.028 0.000 1.412 85 I HN 0.388 nan 8.210 nan 0.000 0.513 86 A N 6.696 129.539 122.820 0.039 0.000 2.395 86 A HA 0.518 4.847 4.320 0.015 0.000 0.286 86 A C -0.254 177.385 177.584 0.091 0.000 1.193 86 A CA -0.248 51.817 52.037 0.048 0.000 0.852 86 A CB -0.356 18.672 19.000 0.046 0.000 1.118 86 A HN 0.475 nan 8.150 nan 0.000 0.524 87 V N 3.174 123.125 119.914 0.061 0.000 2.513 87 V HA 0.553 4.682 4.120 0.015 0.000 0.299 87 V C 0.307 176.456 176.094 0.091 0.000 1.035 87 V CA -0.297 62.059 62.300 0.093 0.000 0.889 87 V CB 1.884 33.716 31.823 0.014 0.000 0.988 87 V HN 0.873 nan 8.190 nan 0.000 0.440 88 T N 2.422 117.052 114.554 0.127 0.000 2.824 88 T HA 0.333 4.692 4.350 0.015 0.000 0.282 88 T C -0.003 174.756 174.700 0.099 0.000 0.993 88 T CA -0.375 61.780 62.100 0.091 0.000 0.967 88 T CB 1.473 70.386 68.868 0.076 0.000 0.960 88 T HN 0.665 nan 8.240 nan 0.000 0.441 89 T N 2.894 117.493 114.554 0.075 0.000 2.834 89 T HA 0.377 4.736 4.350 0.015 0.000 0.298 89 T C 1.046 175.787 174.700 0.068 0.000 0.966 89 T CA -0.417 61.730 62.100 0.080 0.000 1.141 89 T CB 0.487 69.393 68.868 0.064 0.000 0.905 89 T HN 0.738 nan 8.240 nan 0.000 0.535 90 G N 3.440 112.287 108.800 0.079 0.000 2.343 90 G HA2 0.307 4.276 3.960 0.015 0.000 0.254 90 G HA3 0.307 4.276 3.960 0.015 0.000 0.254 90 G C 0.160 175.079 174.900 0.032 0.000 1.277 90 G CA -0.800 44.329 45.100 0.049 0.000 0.909 90 G HN 0.802 nan 8.290 nan 0.000 0.502 91 D N 1.449 121.855 120.400 0.010 0.000 2.371 91 D HA 0.323 4.972 4.640 0.015 0.000 0.242 91 D C 1.475 177.772 176.300 -0.005 0.000 1.218 91 D CA 0.013 54.016 54.000 0.004 0.000 0.945 91 D CB 0.812 41.609 40.800 -0.005 0.000 1.137 91 D HN 0.334 nan 8.370 nan 0.000 0.464 92 A N 0.700 123.518 122.820 -0.004 0.000 1.948 92 A HA -0.231 4.098 4.320 0.015 0.000 0.220 92 A C 2.202 179.770 177.584 -0.027 0.000 1.177 92 A CA 2.355 54.385 52.037 -0.011 0.000 0.636 92 A CB -1.074 17.922 19.000 -0.007 0.000 0.815 92 A HN 0.567 nan 8.150 nan 0.000 0.449 93 S N -0.987 114.694 115.700 -0.032 0.000 2.368 93 S HA -0.136 4.343 4.470 0.015 0.000 0.225 93 S C 1.905 176.464 174.600 -0.068 0.000 1.030 93 S CA 1.544 59.715 58.200 -0.049 0.000 0.999 93 S CB -0.397 62.774 63.200 -0.047 0.000 0.844 93 S HN 0.514 nan 8.310 nan 0.000 0.459 94 L N 1.725 122.908 121.223 -0.066 0.000 2.072 94 L HA 0.226 4.575 4.340 0.015 0.000 0.205 94 L C 2.473 179.292 176.870 -0.085 0.000 1.079 94 L CA 1.976 56.762 54.840 -0.091 0.000 0.752 94 L CB -1.233 40.778 42.059 -0.080 0.000 0.906 94 L HN 0.303 nan 8.230 nan 0.000 0.436 95 A N -0.240 122.550 122.820 -0.050 0.000 1.908 95 A HA -0.274 4.055 4.320 0.015 0.000 0.218 95 A C 2.560 180.110 177.584 -0.056 0.000 1.181 95 A CA 1.951 53.963 52.037 -0.041 0.000 0.627 95 A CB -0.693 18.291 19.000 -0.026 0.000 0.818 95 A HN 0.517 nan 8.150 nan 0.000 0.445 96 R N -0.619 119.846 120.500 -0.060 0.000 2.092 96 R HA -0.112 4.237 4.340 0.015 0.000 0.231 96 R C 2.423 178.663 176.300 -0.098 0.000 1.119 96 R CA 1.490 57.551 56.100 -0.064 0.000 0.970 96 R CB -0.270 29.996 30.300 -0.057 0.000 0.864 96 R HN 0.557 nan 8.270 nan 0.000 0.440 97 R N 0.015 120.438 120.500 -0.128 0.000 2.081 97 R HA -0.064 4.285 4.340 0.015 0.000 0.235 97 R C 1.684 177.830 176.300 -0.257 0.000 1.131 97 R CA 1.308 57.291 56.100 -0.196 0.000 0.960 97 R CB 0.069 30.245 30.300 -0.205 0.000 0.856 97 R HN 0.121 nan 8.270 nan 0.000 0.436 98 R N -0.717 119.676 120.500 -0.179 0.000 2.276 98 R HA 0.090 4.439 4.340 0.015 0.000 0.196 98 R C 0.971 177.324 176.300 0.088 0.000 0.961 98 R CA 0.833 56.876 56.100 -0.094 0.000 1.024 98 R CB 0.130 30.361 30.300 -0.114 0.000 0.940 98 R HN 0.521 nan 8.270 nan 0.000 0.480 99 G N 1.585 110.387 108.800 0.003 0.000 2.176 99 G HA2 -0.269 3.700 3.960 0.015 0.000 0.252 99 G HA3 -0.269 3.700 3.960 0.015 0.000 0.252 99 G C 0.272 175.182 174.900 0.017 0.000 1.024 99 G CA 0.551 45.674 45.100 0.038 0.000 0.755 99 G HN 0.311 nan 8.290 nan 0.000 0.507 100 V N -4.194 115.707 119.914 -0.022 0.000 3.096 100 V HA 0.895 5.024 4.120 0.015 0.000 0.319 100 V C 1.190 177.225 176.094 -0.098 0.000 1.103 100 V CA 0.429 62.704 62.300 -0.042 0.000 1.016 100 V CB 1.455 33.266 31.823 -0.019 0.000 1.090 100 V HN 0.140 nan 8.190 nan 0.000 0.449 101 T N 1.157 115.574 114.554 -0.227 0.000 2.937 101 T HA 0.394 4.753 4.350 0.015 0.000 0.260 101 T C 0.685 175.165 174.700 -0.367 0.000 1.051 101 T CA 1.253 63.162 62.100 -0.318 0.000 1.141 101 T CB -0.096 68.518 68.868 -0.423 0.000 0.879 101 T HN 1.354 nan 8.240 nan 0.000 0.459 102 G N 0.619 109.084 108.800 -0.559 0.000 2.720 102 G HA2 0.633 4.602 3.960 0.015 0.000 0.295 102 G HA3 0.633 4.602 3.960 0.015 0.000 0.295 102 G C -1.947 172.994 174.900 0.069 0.000 1.437 102 G CA -0.900 44.115 45.100 -0.141 0.000 0.886 102 G HN 0.461 nan 8.290 nan 0.000 0.509 103 L N -0.602 120.728 121.223 0.178 0.000 2.775 103 L HA 0.895 5.244 4.340 0.015 0.000 0.263 103 L C -1.297 175.698 176.870 0.208 0.000 1.017 103 L CA -1.420 53.566 54.840 0.243 0.000 0.891 103 L CB 2.106 44.315 42.059 0.250 0.000 1.482 103 L HN 0.785 nan 8.230 nan 0.000 0.410 104 I N -0.676 120.041 120.570 0.245 0.000 2.785 104 I HA 0.897 5.076 4.170 0.015 0.000 0.302 104 I C -0.450 175.848 176.117 0.303 0.000 1.069 104 I CA -0.435 61.009 61.300 0.240 0.000 1.045 104 I CB 2.357 40.498 38.000 0.234 0.000 1.236 104 I HN 0.811 nan 8.210 nan 0.000 0.429 105 T N 1.341 116.062 114.554 0.279 0.000 2.893 105 T HA 0.865 5.224 4.350 0.015 0.000 0.291 105 T C -0.724 174.195 174.700 0.365 0.000 1.028 105 T CA -0.531 61.699 62.100 0.217 0.000 0.995 105 T CB 1.935 70.845 68.868 0.070 0.000 1.051 105 T HN 0.935 nan 8.240 nan 0.000 0.470 106 F N -1.282 118.723 119.950 0.091 0.000 3.122 106 F HA 0.874 5.410 4.527 0.015 0.000 0.325 106 F C -1.545 174.303 175.800 0.079 0.000 1.162 106 F CA -1.614 56.433 58.000 0.079 0.000 0.876 106 F CB 0.644 39.705 39.000 0.101 0.000 1.429 106 F HN 0.911 nan 8.300 nan 0.000 0.484 107 A N 0.643 123.554 122.820 0.151 0.000 2.413 107 A HA 0.691 5.020 4.320 0.015 0.000 0.307 107 A C -1.252 176.321 177.584 -0.017 0.000 1.087 107 A CA -0.304 51.729 52.037 -0.007 0.000 0.750 107 A CB 0.998 19.989 19.000 -0.015 0.000 1.296 107 A HN 0.963 nan 8.150 nan 0.000 0.423 108 D N 1.095 121.410 120.400 -0.143 0.000 2.398 108 D HA 0.311 4.960 4.640 0.015 0.000 0.247 108 D C -2.013 173.938 176.300 -0.582 0.000 1.227 108 D CA -1.639 52.029 54.000 -0.553 0.000 0.980 108 D CB -0.182 40.458 40.800 -0.268 0.000 1.106 108 D HN 0.105 nan 8.370 nan 0.000 0.493 109 P HA -0.097 nan 4.420 nan 0.000 0.218 109 P C 0.145 176.950 177.300 -0.824 0.000 1.146 109 P CA 1.200 63.804 63.100 -0.826 0.000 0.820 109 P CB -0.075 31.045 31.700 -0.968 0.000 0.778 110 F N -2.502 117.378 119.950 -0.117 0.000 2.772 110 F HA 0.463 4.998 4.527 0.015 0.000 0.302 110 F C 1.638 177.420 175.800 -0.031 0.000 1.136 110 F CA 0.162 58.133 58.000 -0.047 0.000 1.322 110 F CB -0.138 38.856 39.000 -0.010 0.000 0.967 110 F HN -0.048 nan 8.300 nan 0.000 0.513 111 G N 0.513 109.331 108.800 0.031 0.000 2.175 111 G HA2 -0.293 3.676 3.960 0.015 0.000 0.244 111 G HA3 -0.293 3.676 3.960 0.015 0.000 0.244 111 G C 0.035 174.954 174.900 0.032 0.000 0.982 111 G CA -0.113 45.005 45.100 0.030 0.000 0.641 111 G HN 0.278 nan 8.290 nan 0.000 0.527 112 L N 2.706 123.962 121.223 0.054 0.000 2.418 112 L HA 0.591 4.940 4.340 0.015 0.000 0.274 112 L C -1.978 174.897 176.870 0.010 0.000 1.135 112 L CA -2.018 52.850 54.840 0.046 0.000 0.870 112 L CB 0.305 42.427 42.059 0.104 0.000 1.154 112 L HN -0.073 nan 8.230 nan 0.000 0.462 113 P HA 0.235 nan 4.420 nan 0.000 0.271 113 P C -0.989 176.276 177.300 -0.057 0.000 1.226 113 P CA 0.193 63.275 63.100 -0.031 0.000 0.765 113 P CB 0.644 32.359 31.700 0.026 0.000 0.835 114 L N 3.298 124.362 121.223 -0.265 0.000 2.323 114 L HA 0.569 4.918 4.340 0.015 0.000 0.265 114 L C 0.362 176.962 176.870 -0.450 0.000 1.012 114 L CA -0.707 53.923 54.840 -0.349 0.000 0.820 114 L CB 2.196 43.953 42.059 -0.503 0.000 1.334 114 L HN 0.288 nan 8.230 nan 0.000 0.427 115 E N 2.203 122.322 120.200 -0.136 0.000 2.331 115 E HA 0.586 4.945 4.350 0.015 0.000 0.275 115 E C -1.421 175.333 176.600 0.257 0.000 0.895 115 E CA -0.632 55.813 56.400 0.076 0.000 0.753 115 E CB 3.323 33.125 29.700 0.169 0.000 1.216 115 E HN 0.360 nan 8.360 nan 0.000 0.434 116 I N 2.886 123.684 120.570 0.380 0.000 2.436 116 I HA 0.406 4.585 4.170 0.015 0.000 0.289 116 I C -1.048 175.254 176.117 0.307 0.000 1.010 116 I CA -0.886 60.611 61.300 0.329 0.000 1.098 116 I CB 0.857 39.064 38.000 0.344 0.000 1.266 116 I HN 0.562 nan 8.210 nan 0.000 0.434 117 Y N 5.964 126.368 120.300 0.173 0.000 2.669 117 Y HA 0.797 5.356 4.550 0.015 0.000 0.335 117 Y C -1.476 174.561 175.900 0.227 0.000 1.116 117 Y CA -1.380 56.829 58.100 0.182 0.000 1.081 117 Y CB 1.276 39.826 38.460 0.149 0.000 1.297 117 Y HN 0.489 nan 8.280 nan 0.000 0.484 118 Y N -1.549 118.870 120.300 0.198 0.000 2.588 118 Y HA 0.703 5.262 4.550 0.014 0.000 0.343 118 Y C 0.196 176.254 175.900 0.263 0.000 1.065 118 Y CA -1.961 56.198 58.100 0.100 0.000 1.038 118 Y CB 1.626 40.103 38.460 0.029 0.000 1.297 118 Y HN 1.413 nan 8.280 nan 0.000 0.467 119 G N 0.599 109.520 108.800 0.203 0.000 2.324 119 G HA2 0.131 4.100 3.960 0.015 0.000 0.292 119 G HA3 0.131 4.100 3.960 0.015 0.000 0.292 119 G C 0.144 175.100 174.900 0.092 0.000 1.079 119 G CA 0.044 45.202 45.100 0.096 0.000 1.026 119 G HN 1.468 nan 8.290 nan 0.000 0.506 120 A N -0.098 122.844 122.820 0.204 0.000 2.327 120 A HA 0.763 5.092 4.320 0.015 0.000 0.255 120 A C 1.016 178.641 177.584 0.068 0.000 1.099 120 A CA 0.653 52.758 52.037 0.114 0.000 0.801 120 A CB 0.499 19.578 19.000 0.131 0.000 1.062 120 A HN 1.250 nan 8.150 nan 0.000 0.496 121 S N 1.168 116.891 115.700 0.038 0.000 2.489 121 S HA 0.327 4.806 4.470 0.015 0.000 0.277 121 S C -0.252 174.354 174.600 0.010 0.000 1.230 121 S CA -0.500 57.725 58.200 0.041 0.000 1.053 121 S CB 0.531 63.764 63.200 0.055 0.000 0.955 121 S HN 0.629 nan 8.310 nan 0.000 0.488 122 E N 1.647 121.855 120.200 0.013 0.000 2.214 122 E HA 0.388 4.747 4.350 0.015 0.000 0.274 122 E C -0.249 176.318 176.600 -0.056 0.000 0.977 122 E CA -0.607 55.745 56.400 -0.080 0.000 0.827 122 E CB 1.821 31.521 29.700 0.000 0.000 1.130 122 E HN 0.469 nan 8.360 nan 0.000 0.394 123 V N -0.219 119.597 119.914 -0.164 0.000 2.575 123 V HA 0.232 4.361 4.120 0.015 0.000 0.281 123 V C 0.402 176.473 176.094 -0.037 0.000 1.087 123 V CA -0.478 61.797 62.300 -0.042 0.000 1.193 123 V CB -0.833 30.987 31.823 -0.005 0.000 1.426 123 V HN 0.500 nan 8.190 nan 0.000 0.623 124 F N 2.033 122.022 119.950 0.066 0.000 2.269 124 F HA -0.060 4.476 4.527 0.015 0.000 0.301 124 F C 2.533 178.372 175.800 0.064 0.000 1.082 124 F CA 1.887 59.928 58.000 0.068 0.000 1.360 124 F CB 0.091 39.125 39.000 0.057 0.000 1.041 124 F HN 0.547 nan 8.300 nan 0.000 0.512 125 E N 1.129 121.460 120.200 0.218 0.000 2.478 125 E HA -0.146 4.213 4.350 0.015 0.000 0.198 125 E C 0.025 176.687 176.600 0.103 0.000 1.046 125 E CA 0.757 57.242 56.400 0.141 0.000 0.870 125 E CB -0.426 29.338 29.700 0.107 0.000 0.818 125 E HN 0.333 nan 8.360 nan 0.000 0.527 126 K N 2.724 123.182 120.400 0.097 0.000 2.682 126 K HA 0.285 4.614 4.320 0.015 0.000 0.189 126 K C -2.494 174.164 176.600 0.096 0.000 1.062 126 K CA -1.975 54.357 56.287 0.074 0.000 0.997 126 K CB 1.369 33.901 32.500 0.054 0.000 1.405 126 K HN 0.054 nan 8.250 nan 0.000 0.588 127 P HA -0.167 nan 4.420 nan 0.000 0.261 127 P C -0.212 177.180 177.300 0.153 0.000 1.173 127 P CA -0.016 63.174 63.100 0.150 0.000 0.760 127 P CB 0.319 32.097 31.700 0.130 0.000 0.783 128 F N 5.064 125.053 119.950 0.065 0.000 2.608 128 F HA 0.148 4.684 4.527 0.015 0.000 0.380 128 F C -0.158 175.694 175.800 0.087 0.000 1.083 128 F CA 0.063 58.106 58.000 0.073 0.000 1.266 128 F CB 0.152 39.205 39.000 0.087 0.000 1.076 128 F HN 0.208 nan 8.300 nan 0.000 0.574 129 L N 9.847 130.614 121.223 -0.760 0.000 2.457 129 L HA 0.542 4.891 4.340 0.015 0.000 0.266 129 L C -2.535 173.854 176.870 -0.802 0.000 0.979 129 L CA -2.254 52.238 54.840 -0.580 0.000 0.857 129 L CB 1.227 43.142 42.059 -0.239 0.000 1.213 129 L HN 0.401 nan 8.230 nan 0.000 0.418 130 P HA 0.148 nan 4.420 nan 0.000 0.269 130 P C 0.539 177.783 177.300 -0.093 0.000 1.215 130 P CA -0.046 62.875 63.100 -0.299 0.000 0.780 130 P CB 1.014 32.758 31.700 0.074 0.000 0.898 131 G N 0.780 109.601 108.800 0.036 0.000 2.744 131 G HA2 0.288 4.257 3.960 0.015 0.000 0.211 131 G HA3 0.288 4.257 3.960 0.015 0.000 0.211 131 G C 0.450 175.370 174.900 0.033 0.000 1.143 131 G CA 0.586 45.712 45.100 0.043 0.000 0.788 131 G HN 0.858 nan 8.290 nan 0.000 0.534 132 A N -1.140 121.709 122.820 0.048 0.000 2.583 132 A HA 0.788 5.117 4.320 0.015 0.000 0.289 132 A C -0.249 177.341 177.584 0.010 0.000 1.151 132 A CA -0.103 51.944 52.037 0.016 0.000 0.695 132 A CB 0.558 19.573 19.000 0.024 0.000 1.290 132 A HN 0.950 nan 8.150 nan 0.000 0.419 133 A N 0.568 123.358 122.820 -0.051 0.000 2.639 133 A HA 0.511 4.840 4.320 0.015 0.000 0.295 133 A C -0.437 177.139 177.584 -0.014 0.000 1.443 133 A CA 0.171 52.158 52.037 -0.083 0.000 1.117 133 A CB -1.189 17.667 19.000 -0.240 0.000 1.098 133 A HN 1.289 nan 8.150 nan 0.000 0.552 134 V N 3.083 123.019 119.914 0.037 0.000 2.525 134 V HA 0.193 4.322 4.120 0.015 0.000 0.299 134 V C 1.301 177.420 176.094 0.042 0.000 1.034 134 V CA 0.190 62.511 62.300 0.034 0.000 0.863 134 V CB 1.670 33.498 31.823 0.007 0.000 0.999 134 V HN 1.040 nan 8.190 nan 0.000 0.423 135 S N 2.838 118.548 115.700 0.018 0.000 2.442 135 S HA 0.252 4.731 4.470 0.015 0.000 0.236 135 S C 0.813 175.458 174.600 0.075 0.000 1.007 135 S CA 0.738 58.966 58.200 0.046 0.000 0.965 135 S CB 0.063 63.283 63.200 0.033 0.000 0.773 135 S HN 1.835 nan 8.310 nan 0.000 0.504 136 G N -0.564 108.239 108.800 0.004 0.000 2.358 136 G HA2 0.401 4.370 3.960 0.015 0.000 0.303 136 G HA3 0.401 4.370 3.960 0.015 0.000 0.303 136 G C -1.411 173.393 174.900 -0.160 0.000 1.537 136 G CA -1.146 43.983 45.100 0.048 0.000 0.928 136 G HN 0.149 nan 8.290 nan 0.000 0.656 137 F N -0.398 119.543 119.950 -0.014 0.000 2.458 137 F HA 0.712 5.248 4.527 0.015 0.000 0.330 137 F C 0.288 176.060 175.800 -0.047 0.000 1.082 137 F CA -0.955 57.013 58.000 -0.054 0.000 0.995 137 F CB 2.078 41.011 39.000 -0.111 0.000 1.170 137 F HN 0.384 nan 8.300 nan 0.000 0.478 138 L N 2.795 124.106 121.223 0.146 0.000 2.255 138 L HA 0.462 4.811 4.340 0.015 0.000 0.289 138 L C 0.330 177.244 176.870 0.074 0.000 1.046 138 L CA 0.276 55.168 54.840 0.086 0.000 0.816 138 L CB 0.193 42.287 42.059 0.059 0.000 1.197 138 L HN 0.883 nan 8.230 nan 0.000 0.427 139 T N 1.063 115.647 114.554 0.050 0.000 2.639 139 T HA 0.692 5.051 4.350 0.015 0.000 0.156 139 T C 0.997 175.714 174.700 0.029 0.000 0.817 139 T CA 0.288 62.406 62.100 0.030 0.000 0.914 139 T CB -0.753 68.115 68.868 -0.000 0.000 2.461 139 T HN 1.005 nan 8.240 nan 0.000 0.367 140 G N 2.547 111.364 108.800 0.029 0.000 2.596 140 G HA2 -0.388 3.581 3.960 0.015 0.000 0.295 140 G HA3 -0.388 3.581 3.960 0.015 0.000 0.295 140 G C 0.773 175.691 174.900 0.031 0.000 1.240 140 G CA 1.158 46.280 45.100 0.038 0.000 0.985 140 G HN 1.243 nan 8.290 nan 0.000 0.555 141 E N 0.477 120.693 120.200 0.026 0.000 2.401 141 E HA -0.077 4.282 4.350 0.015 0.000 0.199 141 E C 2.011 178.617 176.600 0.010 0.000 1.023 141 E CA 1.503 57.912 56.400 0.015 0.000 0.859 141 E CB -0.155 29.551 29.700 0.009 0.000 0.780 141 E HN 0.696 nan 8.360 nan 0.000 0.523 142 Q N 0.704 120.513 119.800 0.015 0.000 2.360 142 Q HA 0.170 4.519 4.340 0.015 0.000 0.202 142 Q C 0.743 176.763 176.000 0.033 0.000 0.915 142 Q CA 0.166 55.979 55.803 0.017 0.000 0.943 142 Q CB 0.806 29.552 28.738 0.013 0.000 1.064 142 Q HN 0.415 nan 8.270 nan 0.000 0.511 143 G N 1.143 109.962 108.800 0.032 0.000 2.697 143 G HA2 -0.332 3.637 3.960 0.015 0.000 0.240 143 G HA3 -0.332 3.637 3.960 0.015 0.000 0.240 143 G C 0.217 175.140 174.900 0.039 0.000 1.346 143 G CA -0.092 45.032 45.100 0.040 0.000 0.887 143 G HN 0.250 nan 8.290 nan 0.000 0.569 144 L N 0.844 122.093 121.223 0.044 0.000 2.083 144 L HA 0.439 4.788 4.340 0.015 0.000 0.209 144 L C 1.910 178.825 176.870 0.075 0.000 1.083 144 L CA 3.634 58.500 54.840 0.044 0.000 0.752 144 L CB -0.831 41.255 42.059 0.045 0.000 0.899 144 L HN 2.454 nan 8.230 nan 0.000 0.433 145 G N -2.414 106.441 108.800 0.093 0.000 2.480 145 G HA2 0.119 4.088 3.960 0.015 0.000 0.109 145 G HA3 0.119 4.088 3.960 0.015 0.000 0.109 145 G C -1.092 173.888 174.900 0.134 0.000 1.172 145 G CA -0.136 45.013 45.100 0.081 0.000 1.091 145 G HN 0.757 nan 8.290 nan 0.000 0.464 146 H N -0.867 118.280 119.070 0.128 0.000 2.990 146 H HA 0.776 5.341 4.556 0.014 0.000 0.343 146 H C -1.516 173.954 175.328 0.237 0.000 1.270 146 H CA -0.582 55.514 56.048 0.080 0.000 1.118 146 H CB 2.023 31.785 29.762 0.000 0.000 1.861 146 H HN 1.348 nan 8.280 nan 0.000 0.544 147 F N -0.695 119.458 119.950 0.338 0.000 2.631 147 F HA 0.598 5.134 4.527 0.015 0.000 0.308 147 F C -2.016 173.851 175.800 0.112 0.000 1.097 147 F CA -1.244 56.880 58.000 0.207 0.000 0.952 147 F CB 1.117 40.228 39.000 0.185 0.000 1.307 147 F HN 0.282 nan 8.300 nan 0.000 0.450 148 V N 2.901 123.008 119.914 0.321 0.000 2.328 148 V HA 0.503 4.632 4.120 0.015 0.000 0.278 148 V C -0.097 176.163 176.094 0.277 0.000 1.021 148 V CA -0.577 61.827 62.300 0.174 0.000 0.838 148 V CB 0.913 32.800 31.823 0.107 0.000 0.999 148 V HN 0.782 nan 8.190 nan 0.000 0.447 149 R N 3.974 124.594 120.500 0.201 0.000 2.267 149 R HA 0.370 4.719 4.340 0.015 0.000 0.319 149 R C -0.689 175.647 176.300 0.059 0.000 1.067 149 R CA 0.050 56.258 56.100 0.179 0.000 0.936 149 R CB 0.184 30.573 30.300 0.148 0.000 1.006 149 R HN 0.742 nan 8.270 nan 0.000 0.452 150 C N 5.985 125.335 119.300 0.083 0.000 2.347 150 C HA 0.648 5.117 4.460 0.015 0.000 0.353 150 C C -0.110 174.841 174.990 -0.065 0.000 1.273 150 C CA -0.605 58.424 59.018 0.018 0.000 1.861 150 C CB -0.102 27.708 27.740 0.116 0.000 2.420 150 C HN 0.677 nan 8.230 nan 0.000 0.542 151 V N 2.285 122.092 119.914 -0.178 0.000 3.159 151 V HA 0.691 4.820 4.120 0.015 0.000 0.308 151 V C -2.348 173.486 176.094 -0.433 0.000 1.190 151 V CA -1.493 60.568 62.300 -0.399 0.000 1.037 151 V CB 1.931 33.533 31.823 -0.369 0.000 1.060 151 V HN 0.554 nan 8.190 nan 0.000 0.437 152 P HA 0.179 nan 4.420 nan 0.000 0.239 152 P C -0.284 176.874 177.300 -0.237 0.000 1.188 152 P CA 0.910 63.788 63.100 -0.371 0.000 0.794 152 P CB 0.479 31.975 31.700 -0.340 0.000 0.937 153 D N 0.150 120.390 120.400 -0.267 0.000 2.346 153 D HA 0.102 4.751 4.640 0.015 0.000 0.255 153 D C 1.054 177.402 176.300 0.080 0.000 1.276 153 D CA -0.208 53.802 54.000 0.015 0.000 0.941 153 D CB 1.068 41.999 40.800 0.219 0.000 1.199 153 D HN -0.142 nan 8.370 nan 0.000 0.537 154 S N 2.038 117.763 115.700 0.041 0.000 2.419 154 S HA -0.149 4.330 4.470 0.015 0.000 0.233 154 S C 1.217 175.837 174.600 0.033 0.000 1.016 154 S CA 0.758 59.002 58.200 0.074 0.000 0.974 154 S CB 0.168 63.465 63.200 0.162 0.000 0.786 154 S HN 0.372 nan 8.310 nan 0.000 0.492 155 D N 1.878 122.301 120.400 0.038 0.000 2.117 155 D HA -0.072 4.577 4.640 0.015 0.000 0.198 155 D C 1.896 178.212 176.300 0.026 0.000 0.982 155 D CA 1.177 55.169 54.000 -0.014 0.000 0.828 155 D CB -0.236 40.574 40.800 0.018 0.000 0.967 155 D HN 0.552 nan 8.370 nan 0.000 0.464 156 K N 0.793 121.258 120.400 0.108 0.000 2.057 156 K HA -0.053 4.276 4.320 0.015 0.000 0.206 156 K C 2.040 178.736 176.600 0.159 0.000 1.050 156 K CA 1.096 57.456 56.287 0.120 0.000 0.935 156 K CB 0.041 32.636 32.500 0.159 0.000 0.715 156 K HN -0.016 nan 8.250 nan 0.000 0.439 157 A N 1.312 124.297 122.820 0.276 0.000 1.898 157 A HA -0.137 4.192 4.320 0.015 0.000 0.216 157 A C 2.039 179.813 177.584 0.316 0.000 1.181 157 A CA 1.214 53.469 52.037 0.363 0.000 0.620 157 A CB -0.617 18.631 19.000 0.413 0.000 0.819 157 A HN 0.378 nan 8.150 nan 0.000 0.442 158 L N -0.144 121.138 121.223 0.099 0.000 2.042 158 L HA -0.100 4.249 4.340 0.015 0.000 0.210 158 L C 2.669 179.553 176.870 0.024 0.000 1.076 158 L CA 2.195 57.015 54.840 -0.034 0.000 0.749 158 L CB -0.696 41.159 42.059 -0.340 0.000 0.893 158 L HN 0.349 nan 8.230 nan 0.000 0.432 159 A N -1.114 121.724 122.820 0.030 0.000 1.933 159 A HA -0.252 4.077 4.320 0.015 0.000 0.218 159 A C 2.246 179.859 177.584 0.048 0.000 1.175 159 A CA 1.824 53.874 52.037 0.022 0.000 0.628 159 A CB -1.098 17.914 19.000 0.020 0.000 0.814 159 A HN 0.558 nan 8.150 nan 0.000 0.444 160 F N -0.771 119.147 119.950 -0.053 0.000 2.084 160 F HA -0.141 4.395 4.527 0.015 0.000 0.296 160 F C 2.103 177.818 175.800 -0.142 0.000 1.111 160 F CA 1.687 59.607 58.000 -0.134 0.000 1.224 160 F CB -0.492 38.373 39.000 -0.225 0.000 0.991 160 F HN 0.266 nan 8.300 nan 0.000 0.471 161 Y N 0.753 121.063 120.300 0.017 0.000 2.274 161 Y HA -0.184 4.375 4.550 0.015 0.000 0.290 161 Y C 2.815 178.692 175.900 -0.039 0.000 1.145 161 Y CA 1.891 59.943 58.100 -0.080 0.000 1.203 161 Y CB -1.026 37.365 38.460 -0.116 0.000 0.984 161 Y HN 0.283 nan 8.280 nan 0.000 0.533 162 T N -3.550 111.041 114.554 0.062 0.000 2.837 162 T HA -0.071 4.288 4.350 0.015 0.000 0.248 162 T C 1.505 176.162 174.700 -0.072 0.000 1.033 162 T CA 1.134 63.241 62.100 0.011 0.000 1.150 162 T CB -0.435 68.425 68.868 -0.014 0.000 0.865 162 T HN 0.066 nan 8.240 nan 0.000 0.425 163 D N 1.124 121.467 120.400 -0.096 0.000 2.144 163 D HA 0.014 4.663 4.640 0.015 0.000 0.200 163 D C 2.279 178.470 176.300 -0.181 0.000 0.978 163 D CA 0.781 54.711 54.000 -0.116 0.000 0.833 163 D CB -0.126 40.622 40.800 -0.085 0.000 0.961 163 D HN 0.358 nan 8.370 nan 0.000 0.470 164 V N 0.530 120.265 119.914 -0.299 0.000 2.521 164 V HA 0.002 4.131 4.120 0.015 0.000 0.239 164 V C 2.393 178.239 176.094 -0.413 0.000 1.053 164 V CA 0.525 62.583 62.300 -0.403 0.000 1.073 164 V CB -0.128 31.315 31.823 -0.633 0.000 0.746 164 V HN 0.102 nan 8.190 nan 0.000 0.476 165 L N 0.581 121.526 121.223 -0.463 0.000 2.492 165 L HA 0.258 4.607 4.340 0.015 0.000 0.223 165 L C 1.786 178.520 176.870 -0.227 0.000 1.132 165 L CA 1.036 55.708 54.840 -0.280 0.000 0.850 165 L CB -0.425 41.574 42.059 -0.100 0.000 0.966 165 L HN 0.649 nan 8.230 nan 0.000 0.454 166 G N -0.246 108.447 108.800 -0.179 0.000 2.159 166 G HA2 -0.296 3.673 3.960 0.015 0.000 0.256 166 G HA3 -0.296 3.673 3.960 0.015 0.000 0.256 166 G C 0.170 174.930 174.900 -0.233 0.000 0.977 166 G CA -0.374 44.602 45.100 -0.206 0.000 0.652 166 G HN 0.153 nan 8.290 nan 0.000 0.531 167 F N 0.926 120.758 119.950 -0.196 0.000 2.496 167 F HA 0.485 5.021 4.527 0.015 0.000 0.344 167 F C 1.072 176.717 175.800 -0.258 0.000 1.155 167 F CA 0.348 58.214 58.000 -0.224 0.000 1.302 167 F CB 0.652 39.545 39.000 -0.178 0.000 1.159 167 F HN 0.016 nan 8.300 nan 0.000 0.595 168 Q N 2.119 121.770 119.800 -0.248 0.000 2.342 168 Q HA 0.356 4.705 4.340 0.015 0.000 0.267 168 Q C -1.047 174.741 176.000 -0.353 0.000 1.038 168 Q CA -1.234 54.348 55.803 -0.368 0.000 0.832 168 Q CB 2.537 30.927 28.738 -0.581 0.000 1.323 168 Q HN 0.513 nan 8.270 nan 0.000 0.448 169 L N 1.217 122.385 121.223 -0.092 0.000 2.410 169 L HA 0.100 4.449 4.340 0.015 0.000 0.273 169 L C 0.654 177.641 176.870 0.195 0.000 1.152 169 L CA 1.002 55.878 54.840 0.059 0.000 0.855 169 L CB 0.676 42.807 42.059 0.121 0.000 1.129 169 L HN 0.602 nan 8.230 nan 0.000 0.463 170 S N 2.015 117.845 115.700 0.217 0.000 2.438 170 S HA 0.205 4.684 4.470 0.015 0.000 0.220 170 S C -0.531 174.407 174.600 0.564 0.000 1.045 170 S CA 0.645 58.983 58.200 0.230 0.000 0.940 170 S CB -0.009 62.960 63.200 -0.385 0.000 0.863 170 S HN 0.937 nan 8.310 nan 0.000 0.539 171 D N -1.276 119.379 120.400 0.426 0.000 2.738 171 D HA 0.511 5.160 4.640 0.015 0.000 0.308 171 D C -1.504 175.044 176.300 0.414 0.000 1.311 171 D CA -0.686 53.577 54.000 0.438 0.000 0.799 171 D CB 1.101 42.220 40.800 0.531 0.000 1.332 171 D HN -0.003 nan 8.370 nan 0.000 0.441 172 V N -0.070 120.043 119.914 0.332 0.000 2.735 172 V HA 0.579 4.708 4.120 0.015 0.000 0.310 172 V C -0.541 175.686 176.094 0.222 0.000 1.061 172 V CA -0.666 61.761 62.300 0.212 0.000 0.913 172 V CB 1.710 33.576 31.823 0.073 0.000 1.005 172 V HN 0.559 nan 8.190 nan 0.000 0.428 173 I N 2.754 123.437 120.570 0.188 0.000 2.439 173 I HA 0.367 4.546 4.170 0.015 0.000 0.285 173 I C -0.839 175.320 176.117 0.070 0.000 1.021 173 I CA -0.473 60.927 61.300 0.167 0.000 1.091 173 I CB 1.930 40.036 38.000 0.177 0.000 1.242 173 I HN 0.534 nan 8.210 nan 0.000 0.439 174 D N 8.272 128.705 120.400 0.056 0.000 2.393 174 D HA 0.220 4.869 4.640 0.015 0.000 0.232 174 D C 0.046 176.378 176.300 0.055 0.000 1.192 174 D CA -0.121 53.893 54.000 0.024 0.000 0.882 174 D CB 0.965 41.779 40.800 0.023 0.000 1.038 174 D HN 0.254 nan 8.370 nan 0.000 0.499 175 M N 1.996 121.637 119.600 0.069 0.000 2.194 175 M HA 0.072 4.561 4.480 0.015 0.000 0.347 175 M C 0.550 176.894 176.300 0.074 0.000 1.439 175 M CA 0.060 55.418 55.300 0.096 0.000 1.131 175 M CB 0.255 32.967 32.600 0.186 0.000 1.733 175 M HN -0.120 nan 8.290 nan 0.000 0.467 176 K N 3.893 124.325 120.400 0.053 0.000 2.338 176 K HA 0.181 4.510 4.320 0.015 0.000 0.290 176 K C 0.798 177.416 176.600 0.030 0.000 1.069 176 K CA -0.135 56.175 56.287 0.039 0.000 0.941 176 K CB 0.963 33.483 32.500 0.033 0.000 1.023 176 K HN 0.570 nan 8.250 nan 0.000 0.477 177 M N 1.002 120.624 119.600 0.036 0.000 2.466 177 M HA 0.133 4.622 4.480 0.015 0.000 0.265 177 M C 0.942 177.251 176.300 0.016 0.000 1.122 177 M CA 0.495 55.810 55.300 0.025 0.000 1.157 177 M CB 0.103 32.732 32.600 0.049 0.000 1.352 177 M HN 0.747 nan 8.290 nan 0.000 0.464 178 G N -0.769 108.044 108.800 0.021 0.000 2.506 178 G HA2 0.424 4.393 3.960 0.015 0.000 0.292 178 G HA3 0.424 4.393 3.960 0.015 0.000 0.292 178 G C -2.602 172.309 174.900 0.019 0.000 1.425 178 G CA -0.685 44.425 45.100 0.017 0.000 0.788 178 G HN -0.161 nan 8.290 nan 0.000 0.490 179 P HA -0.051 nan 4.420 nan 0.000 0.217 179 P C 0.605 177.915 177.300 0.018 0.000 1.151 179 P CA 1.437 64.547 63.100 0.017 0.000 0.849 179 P CB 0.410 32.119 31.700 0.014 0.000 0.787 180 D N -1.060 119.351 120.400 0.018 0.000 2.538 180 D HA 0.127 4.776 4.640 0.015 0.000 0.231 180 D C -0.909 175.404 176.300 0.022 0.000 1.229 180 D CA 0.077 54.088 54.000 0.019 0.000 0.828 180 D CB 0.629 41.439 40.800 0.017 0.000 1.035 180 D HN -0.109 nan 8.370 nan 0.000 0.495 181 V N 0.907 120.835 119.914 0.025 0.000 2.488 181 V HA 0.369 4.498 4.120 0.015 0.000 0.293 181 V C -0.221 175.895 176.094 0.035 0.000 1.027 181 V CA -0.507 61.811 62.300 0.030 0.000 0.862 181 V CB 1.890 33.733 31.823 0.033 0.000 1.008 181 V HN -0.066 nan 8.190 nan 0.000 0.428 182 T N 4.101 118.675 114.554 0.034 0.000 2.881 182 T HA 0.558 4.917 4.350 0.015 0.000 0.291 182 T C -0.912 173.806 174.700 0.031 0.000 0.990 182 T CA -0.410 61.711 62.100 0.036 0.000 0.976 182 T CB 1.890 70.775 68.868 0.029 0.000 0.970 182 T HN 0.479 nan 8.240 nan 0.000 0.438 183 V N 6.233 126.171 119.914 0.039 0.000 2.540 183 V HA 0.698 4.827 4.120 0.015 0.000 0.302 183 V C -2.519 173.539 176.094 -0.059 0.000 1.035 183 V CA -2.684 59.616 62.300 0.001 0.000 0.873 183 V CB 2.093 33.932 31.823 0.027 0.000 0.992 183 V HN 0.623 nan 8.190 nan 0.000 0.428 184 P HA 0.406 nan 4.420 nan 0.000 0.280 184 P C -1.061 175.937 177.300 -0.503 0.000 1.244 184 P CA -0.247 62.664 63.100 -0.314 0.000 0.784 184 P CB 1.674 33.148 31.700 -0.376 0.000 0.913 185 A N 4.095 126.637 122.820 -0.463 0.000 2.303 185 A HA 0.598 4.927 4.320 0.015 0.000 0.320 185 A C -1.192 176.010 177.584 -0.636 0.000 1.192 185 A CA -0.585 51.145 52.037 -0.512 0.000 0.821 185 A CB 0.428 19.281 19.000 -0.246 0.000 1.188 185 A HN 0.443 nan 8.150 nan 0.000 0.492 186 Y N 1.101 121.157 120.300 -0.406 0.000 2.330 186 Y HA 0.560 5.119 4.550 0.015 0.000 0.336 186 Y C -0.620 174.939 175.900 -0.569 0.000 1.036 186 Y CA -0.395 57.537 58.100 -0.279 0.000 1.125 186 Y CB 1.268 39.624 38.460 -0.173 0.000 1.194 186 Y HN 0.553 nan 8.280 nan 0.000 0.469 187 F N 4.122 124.065 119.950 -0.011 0.000 2.426 187 F HA 0.582 5.119 4.527 0.016 0.000 0.348 187 F C -0.542 175.217 175.800 -0.068 0.000 1.124 187 F CA -0.853 57.063 58.000 -0.141 0.000 1.008 187 F CB 0.867 39.712 39.000 -0.258 0.000 1.139 187 F HN 0.174 nan 8.300 nan 0.000 0.452 188 L N 4.274 125.510 121.223 0.021 0.000 2.346 188 L HA 0.581 4.930 4.340 0.015 0.000 0.274 188 L C -0.329 176.606 176.870 0.108 0.000 1.007 188 L CA -0.985 53.860 54.840 0.007 0.000 0.818 188 L CB 1.925 43.933 42.059 -0.085 0.000 1.284 188 L HN 0.614 nan 8.230 nan 0.000 0.424 189 H N 0.425 119.523 119.070 0.046 0.000 2.670 189 H HA 0.468 5.034 4.556 0.016 0.000 0.361 189 H C -0.225 175.101 175.328 -0.003 0.000 1.169 189 H CA -0.977 55.075 56.048 0.008 0.000 1.198 189 H CB 2.167 31.822 29.762 -0.178 0.000 1.700 189 H HN 0.857 nan 8.280 nan 0.000 0.542 190 C N 0.818 120.129 119.300 0.019 0.000 3.911 190 C HA 0.381 4.850 4.460 0.015 0.000 0.318 190 C C -0.177 174.758 174.990 -0.091 0.000 1.643 190 C CA 0.044 58.925 59.018 -0.229 0.000 1.845 190 C CB -1.604 25.780 27.740 -0.595 0.000 2.981 190 C HN 0.932 nan 8.230 nan 0.000 0.656 191 N N 0.219 118.929 118.700 0.016 0.000 3.517 191 N HA 0.189 4.938 4.740 0.015 0.000 0.329 191 N C 0.072 175.556 175.510 -0.043 0.000 1.569 191 N CA -0.520 52.522 53.050 -0.013 0.000 0.852 191 N CB 0.070 38.542 38.487 -0.025 0.000 1.955 191 N HN 0.043 nan 8.380 nan 0.000 0.555 192 E N -0.727 119.434 120.200 -0.065 0.000 2.268 192 E HA -0.089 4.270 4.350 0.015 0.000 0.195 192 E C 0.097 176.621 176.600 -0.128 0.000 0.995 192 E CA 0.407 56.740 56.400 -0.112 0.000 0.836 192 E CB 0.069 29.727 29.700 -0.069 0.000 0.763 192 E HN 0.263 nan 8.360 nan 0.000 0.491 193 R N 1.396 121.854 120.500 -0.071 0.000 2.484 193 R HA -0.080 4.269 4.340 0.015 0.000 0.293 193 R C 1.450 177.697 176.300 -0.090 0.000 1.023 193 R CA -0.032 56.036 56.100 -0.053 0.000 1.037 193 R CB 0.305 30.601 30.300 -0.006 0.000 0.951 193 R HN 0.222 nan 8.270 nan 0.000 0.418 194 H N 4.224 123.177 119.070 -0.196 0.000 2.325 194 H HA -0.194 4.371 4.556 0.014 0.000 0.293 194 H C -0.336 174.984 175.328 -0.013 0.000 1.106 194 H CA 2.242 58.147 56.048 -0.238 0.000 1.247 194 H CB 0.233 29.887 29.762 -0.180 0.000 1.359 194 H HN 0.730 nan 8.280 nan 0.000 0.488 195 H N -3.331 115.754 119.070 0.025 0.000 2.954 195 H HA 0.270 4.835 4.556 0.015 0.000 0.361 195 H C -0.352 175.016 175.328 0.067 0.000 1.122 195 H CA -0.243 55.818 56.048 0.021 0.000 1.217 195 H CB 1.378 31.195 29.762 0.091 0.000 1.776 195 H HN -0.081 nan 8.280 nan 0.000 0.533 196 T N 2.235 116.873 114.554 0.139 0.000 2.990 196 T HA 0.149 4.508 4.350 0.015 0.000 0.250 196 T C 0.104 174.798 174.700 -0.010 0.000 1.041 196 T CA 0.167 62.349 62.100 0.137 0.000 1.010 196 T CB 0.066 69.082 68.868 0.247 0.000 1.003 196 T HN 0.434 nan 8.240 nan 0.000 0.499 197 L N 1.014 122.169 121.223 -0.114 0.000 2.472 197 L HA 0.801 5.150 4.340 0.015 0.000 0.260 197 L C -1.845 174.834 176.870 -0.319 0.000 0.963 197 L CA -0.777 53.812 54.840 -0.417 0.000 0.829 197 L CB 1.593 43.133 42.059 -0.865 0.000 1.348 197 L HN -0.014 nan 8.230 nan 0.000 0.408 198 A N 5.031 127.647 122.820 -0.340 0.000 2.413 198 A HA 0.923 5.252 4.320 0.015 0.000 0.307 198 A C -1.275 176.073 177.584 -0.394 0.000 1.087 198 A CA -0.508 51.228 52.037 -0.501 0.000 0.750 198 A CB 1.274 19.880 19.000 -0.657 0.000 1.296 198 A HN 0.648 nan 8.150 nan 0.000 0.423 199 I N 0.779 121.118 120.570 -0.385 0.000 2.533 199 I HA 0.681 4.860 4.170 0.015 0.000 0.290 199 I C 0.047 175.996 176.117 -0.281 0.000 1.056 199 I CA -0.329 60.830 61.300 -0.235 0.000 1.057 199 I CB 2.147 40.079 38.000 -0.112 0.000 1.240 199 I HN 0.855 nan 8.210 nan 0.000 0.423 200 A N 4.099 126.684 122.820 -0.392 0.000 2.604 200 A HA 0.828 5.157 4.320 0.015 0.000 0.295 200 A C -0.992 176.219 177.584 -0.622 0.000 1.067 200 A CA -0.612 51.016 52.037 -0.681 0.000 0.683 200 A CB 1.646 19.780 19.000 -1.444 0.000 1.281 200 A HN 0.791 nan 8.150 nan 0.000 0.407 201 A N 1.517 124.042 122.820 -0.492 0.000 3.094 201 A HA 0.620 4.949 4.320 0.015 0.000 0.288 201 A C -0.803 176.686 177.584 -0.158 0.000 1.519 201 A CA -0.124 51.754 52.037 -0.265 0.000 1.227 201 A CB -1.022 17.894 19.000 -0.140 0.000 1.175 201 A HN 0.563 nan 8.150 nan 0.000 0.568 202 F N 1.542 121.474 119.950 -0.029 0.000 2.379 202 F HA 0.420 4.955 4.527 0.015 0.000 0.332 202 F C -1.497 174.302 175.800 -0.001 0.000 1.096 202 F CA -2.517 55.475 58.000 -0.014 0.000 1.105 202 F CB 0.819 39.820 39.000 0.002 0.000 1.189 202 F HN 0.306 nan 8.300 nan 0.000 0.515 203 P HA 0.235 nan 4.420 nan 0.000 0.225 203 P C -0.984 176.379 177.300 0.106 0.000 1.813 203 P CA 0.410 63.578 63.100 0.114 0.000 1.013 203 P CB -0.064 31.684 31.700 0.080 0.000 1.961 204 L N 3.066 124.368 121.223 0.131 0.000 2.362 204 L HA 0.446 4.795 4.340 0.015 0.000 0.271 204 L C -1.397 175.525 176.870 0.086 0.000 1.002 204 L CA -2.027 52.883 54.840 0.117 0.000 0.818 204 L CB 2.743 44.910 42.059 0.180 0.000 1.298 204 L HN -0.059 nan 8.230 nan 0.000 0.420 205 P HA 0.177 nan 4.420 nan 0.000 0.244 205 P C -0.701 176.632 177.300 0.055 0.000 1.632 205 P CA -0.008 63.122 63.100 0.050 0.000 0.944 205 P CB 0.262 31.986 31.700 0.039 0.000 1.569 206 K N -0.164 120.279 120.400 0.072 0.000 2.466 206 K HA 0.367 4.696 4.320 0.015 0.000 0.260 206 K C 1.104 177.751 176.600 0.078 0.000 1.011 206 K CA -0.890 55.443 56.287 0.075 0.000 0.871 206 K CB 1.683 34.239 32.500 0.094 0.000 1.404 206 K HN -0.200 nan 8.250 nan 0.000 0.450 207 R N 0.182 120.719 120.500 0.061 0.000 2.148 207 R HA 0.107 4.456 4.340 0.015 0.000 0.223 207 R C 0.921 177.266 176.300 0.074 0.000 1.088 207 R CA 1.052 57.182 56.100 0.049 0.000 0.985 207 R CB -0.203 30.098 30.300 0.001 0.000 0.880 207 R HN 0.548 nan 8.270 nan 0.000 0.451 208 I N -4.603 116.029 120.570 0.103 0.000 2.865 208 I HA 0.229 4.408 4.170 0.015 0.000 0.302 208 I C 0.838 177.109 176.117 0.257 0.000 1.140 208 I CA -0.937 60.469 61.300 0.176 0.000 1.021 208 I CB 1.975 40.044 38.000 0.116 0.000 1.233 208 I HN -0.136 nan 8.210 nan 0.000 0.427 209 H N 3.523 122.745 119.070 0.253 0.000 2.384 209 H HA 0.137 4.702 4.556 0.015 0.000 0.300 209 H C -0.459 175.097 175.328 0.380 0.000 1.057 209 H CA 1.563 57.790 56.048 0.298 0.000 1.370 209 H CB 0.457 30.446 29.762 0.379 0.000 1.417 209 H HN 0.839 nan 8.280 nan 0.000 0.527 210 H N -2.144 117.133 119.070 0.346 0.000 3.003 210 H HA 0.237 4.801 4.556 0.015 0.000 0.327 210 H C -1.584 174.028 175.328 0.474 0.000 1.353 210 H CA -0.802 55.424 56.048 0.296 0.000 1.142 210 H CB 0.468 30.394 29.762 0.274 0.000 1.864 210 H HN 0.085 nan 8.280 nan 0.000 0.529 211 F N 0.960 121.131 119.950 0.369 0.000 2.579 211 F HA 0.748 5.284 4.527 0.015 0.000 0.324 211 F C -0.662 175.284 175.800 0.243 0.000 1.058 211 F CA -1.322 56.860 58.000 0.303 0.000 0.944 211 F CB 2.091 41.318 39.000 0.377 0.000 1.245 211 F HN 0.510 nan 8.300 nan 0.000 0.477 212 M N 4.006 123.645 119.600 0.065 0.000 2.464 212 M HA 0.589 5.078 4.480 0.015 0.000 0.308 212 M C -2.366 173.906 176.300 -0.046 0.000 1.127 212 M CA -0.678 54.503 55.300 -0.197 0.000 0.913 212 M CB 2.214 34.399 32.600 -0.691 0.000 1.689 212 M HN 0.881 nan 8.290 nan 0.000 0.445 213 L N 2.811 124.018 121.223 -0.027 0.000 2.365 213 L HA 0.549 4.898 4.340 0.015 0.000 0.273 213 L C -0.439 176.392 176.870 -0.065 0.000 1.000 213 L CA -0.578 54.303 54.840 0.068 0.000 0.819 213 L CB 2.279 44.475 42.059 0.229 0.000 1.284 213 L HN 0.715 nan 8.230 nan 0.000 0.418 214 E N 2.434 122.639 120.200 0.007 0.000 2.179 214 E HA 0.581 4.940 4.350 0.015 0.000 0.275 214 E C -1.091 175.469 176.600 -0.067 0.000 0.945 214 E CA -0.719 55.649 56.400 -0.055 0.000 0.792 214 E CB 2.089 31.790 29.700 0.001 0.000 1.125 214 E HN 0.410 nan 8.360 nan 0.000 0.397 215 V N 0.724 120.525 119.914 -0.188 0.000 3.096 215 V HA 0.684 4.813 4.120 0.015 0.000 0.319 215 V C 0.771 176.885 176.094 0.033 0.000 1.103 215 V CA -0.000 62.150 62.300 -0.249 0.000 1.016 215 V CB 1.239 32.778 31.823 -0.474 0.000 1.090 215 V HN 0.805 nan 8.190 nan 0.000 0.449 216 A N 0.760 123.588 122.820 0.014 0.000 2.123 216 A HA 0.406 4.735 4.320 0.015 0.000 0.214 216 A C 1.140 178.857 177.584 0.222 0.000 1.152 216 A CA 0.860 52.988 52.037 0.152 0.000 0.728 216 A CB -0.382 18.666 19.000 0.080 0.000 0.814 216 A HN 0.900 nan 8.150 nan 0.000 0.464 217 S N -1.847 113.827 115.700 -0.043 0.000 2.595 217 S HA 0.434 4.913 4.470 0.015 0.000 0.281 217 S C 0.372 174.381 174.600 -0.985 0.000 1.117 217 S CA -0.497 57.443 58.200 -0.433 0.000 0.873 217 S CB 1.585 64.661 63.200 -0.206 0.000 1.108 217 S HN 0.255 nan 8.310 nan 0.000 0.477 218 L N 1.666 121.941 121.223 -1.579 0.000 2.083 218 L HA -0.034 4.315 4.340 0.015 0.000 0.209 218 L C 1.434 177.991 176.870 -0.521 0.000 1.083 218 L CA 2.102 56.170 54.840 -1.288 0.000 0.752 218 L CB -0.633 40.650 42.059 -1.294 0.000 0.899 218 L HN 0.647 nan 8.230 nan 0.000 0.433 219 D N -0.072 120.090 120.400 -0.398 0.000 2.178 219 D HA -0.183 4.466 4.640 0.015 0.000 0.201 219 D C 1.714 178.017 176.300 0.004 0.000 0.980 219 D CA 1.328 55.184 54.000 -0.240 0.000 0.842 219 D CB -0.167 40.578 40.800 -0.091 0.000 0.948 219 D HN 0.447 nan 8.370 nan 0.000 0.472 220 D N 0.143 120.560 120.400 0.028 0.000 2.123 220 D HA -0.110 4.539 4.640 0.015 0.000 0.196 220 D C 2.292 178.784 176.300 0.320 0.000 0.992 220 D CA 0.525 54.627 54.000 0.170 0.000 0.833 220 D CB -0.187 40.627 40.800 0.023 0.000 0.954 220 D HN 0.117 nan 8.370 nan 0.000 0.455 221 V N 0.936 120.992 119.914 0.237 0.000 2.307 221 V HA -0.113 4.016 4.120 0.015 0.000 0.245 221 V C 2.591 178.895 176.094 0.351 0.000 1.045 221 V CA 1.936 64.516 62.300 0.465 0.000 1.024 221 V CB -1.016 31.019 31.823 0.354 0.000 0.651 221 V HN 0.221 nan 8.190 nan 0.000 0.449 222 G N -0.516 108.319 108.800 0.058 0.000 2.446 222 G HA2 -0.247 3.722 3.960 0.015 0.000 0.217 222 G HA3 -0.247 3.722 3.960 0.015 0.000 0.217 222 G C 1.460 176.315 174.900 -0.074 0.000 1.168 222 G CA 0.903 45.934 45.100 -0.115 0.000 0.771 222 G HN 0.425 nan 8.290 nan 0.000 0.551 223 F N 1.714 121.687 119.950 0.038 0.000 2.146 223 F HA 0.117 4.652 4.527 0.014 0.000 0.298 223 F C 3.025 178.832 175.800 0.010 0.000 1.096 223 F CA 0.680 58.690 58.000 0.017 0.000 1.275 223 F CB -0.638 38.368 39.000 0.009 0.000 1.008 223 F HN 0.243 nan 8.300 nan 0.000 0.480 224 A N -0.418 122.543 122.820 0.235 0.000 1.902 224 A HA -0.229 4.100 4.320 0.015 0.000 0.217 224 A C 2.134 179.668 177.584 -0.084 0.000 1.181 224 A CA 1.389 53.451 52.037 0.042 0.000 0.623 224 A CB -1.432 17.481 19.000 -0.145 0.000 0.818 224 A HN 0.364 nan 8.150 nan 0.000 0.443 225 F N 1.313 121.036 119.950 -0.379 0.000 2.095 225 F HA -0.232 4.305 4.527 0.015 0.000 0.298 225 F C 1.746 177.281 175.800 -0.442 0.000 1.104 225 F CA 2.306 59.753 58.000 -0.921 0.000 1.232 225 F CB -0.259 38.264 39.000 -0.796 0.000 0.987 225 F HN 0.250 nan 8.300 nan 0.000 0.475 226 D N -0.252 120.196 120.400 0.080 0.000 2.144 226 D HA -0.118 4.531 4.640 0.015 0.000 0.199 226 D C 2.413 178.693 176.300 -0.035 0.000 0.984 226 D CA 1.074 55.112 54.000 0.062 0.000 0.834 226 D CB -0.268 40.593 40.800 0.102 0.000 0.955 226 D HN 0.324 nan 8.370 nan 0.000 0.465 227 R N 0.094 120.567 120.500 -0.045 0.000 2.092 227 R HA -0.039 4.310 4.340 0.015 0.000 0.231 227 R C 2.228 178.463 176.300 -0.107 0.000 1.119 227 R CA 0.653 56.716 56.100 -0.062 0.000 0.970 227 R CB -0.243 30.019 30.300 -0.063 0.000 0.864 227 R HN 0.127 nan 8.270 nan 0.000 0.440 228 V N 0.985 120.790 119.914 -0.182 0.000 2.488 228 V HA -0.176 3.953 4.120 0.015 0.000 0.246 228 V C 1.742 177.710 176.094 -0.210 0.000 1.046 228 V CA 1.831 64.027 62.300 -0.174 0.000 1.053 228 V CB -0.391 31.313 31.823 -0.198 0.000 0.679 228 V HN 0.226 nan 8.190 nan 0.000 0.458 229 D N 0.528 120.736 120.400 -0.319 0.000 2.178 229 D HA -0.109 4.540 4.640 0.015 0.000 0.201 229 D C 2.101 178.331 176.300 -0.118 0.000 0.980 229 D CA 1.257 55.099 54.000 -0.263 0.000 0.842 229 D CB -0.059 40.586 40.800 -0.258 0.000 0.948 229 D HN 0.363 nan 8.370 nan 0.000 0.472 230 A N 0.106 122.876 122.820 -0.084 0.000 2.024 230 A HA -0.147 4.182 4.320 0.015 0.000 0.220 230 A C 1.462 179.020 177.584 -0.043 0.000 1.164 230 A CA 1.633 53.643 52.037 -0.046 0.000 0.643 230 A CB -0.207 18.774 19.000 -0.032 0.000 0.806 230 A HN 0.133 nan 8.150 nan 0.000 0.451 231 D N -1.470 118.899 120.400 -0.052 0.000 2.368 231 D HA 0.334 4.983 4.640 0.015 0.000 0.218 231 D C 1.134 177.403 176.300 -0.052 0.000 1.112 231 D CA 0.845 54.820 54.000 -0.041 0.000 0.834 231 D CB -0.014 40.772 40.800 -0.025 0.000 0.953 231 D HN 0.494 nan 8.370 nan 0.000 0.505 232 G N 1.135 109.895 108.800 -0.067 0.000 2.249 232 G HA2 -0.296 3.673 3.960 0.015 0.000 0.273 232 G HA3 -0.296 3.673 3.960 0.015 0.000 0.273 232 G C 0.770 175.623 174.900 -0.079 0.000 1.036 232 G CA 0.246 45.304 45.100 -0.070 0.000 0.824 232 G HN 0.443 nan 8.290 nan 0.000 0.504 233 L N -0.321 120.846 121.223 -0.093 0.000 2.640 233 L HA 0.312 4.661 4.340 0.015 0.000 0.230 233 L C 1.208 178.028 176.870 -0.084 0.000 1.123 233 L CA -0.560 54.230 54.840 -0.083 0.000 0.900 233 L CB -0.001 42.029 42.059 -0.048 0.000 1.146 233 L HN 0.196 nan 8.230 nan 0.000 0.484 234 I N 1.175 121.655 120.570 -0.150 0.000 2.648 234 I HA -0.052 4.127 4.170 0.015 0.000 0.284 234 I C 1.550 177.645 176.117 -0.036 0.000 1.153 234 I CA 0.742 61.945 61.300 -0.163 0.000 1.426 234 I CB 1.204 38.967 38.000 -0.395 0.000 1.381 234 I HN 0.211 nan 8.210 nan 0.000 0.571 235 T N 0.560 115.145 114.554 0.051 0.000 2.971 235 T HA 0.131 4.490 4.350 0.015 0.000 0.252 235 T C 0.649 175.403 174.700 0.091 0.000 1.022 235 T CA -0.189 61.941 62.100 0.050 0.000 0.980 235 T CB 0.408 69.295 68.868 0.032 0.000 1.044 235 T HN 0.470 nan 8.240 nan 0.000 0.501 236 S N 1.682 117.503 115.700 0.202 0.000 2.546 236 S HA 0.560 5.039 4.470 0.015 0.000 0.272 236 S C -0.190 174.671 174.600 0.436 0.000 1.140 236 S CA -0.550 57.811 58.200 0.268 0.000 0.920 236 S CB 1.592 64.942 63.200 0.250 0.000 1.083 236 S HN 0.629 nan 8.310 nan 0.000 0.476 237 T N 2.326 117.116 114.554 0.393 0.000 2.726 237 T HA 0.460 4.819 4.350 0.015 0.000 0.294 237 T C 0.600 175.569 174.700 0.447 0.000 1.013 237 T CA -0.641 61.731 62.100 0.453 0.000 0.996 237 T CB -0.067 68.952 68.868 0.252 0.000 1.016 237 T HN 0.583 nan 8.240 nan 0.000 0.529 238 L N 1.558 122.939 121.223 0.263 0.000 2.525 238 L HA 0.494 4.843 4.340 0.015 0.000 0.278 238 L C 1.088 177.965 176.870 0.012 0.000 1.218 238 L CA 0.369 55.320 54.840 0.185 0.000 0.878 238 L CB -0.235 41.850 42.059 0.043 0.000 1.127 238 L HN 1.081 nan 8.230 nan 0.000 0.492 239 G N 3.054 111.562 108.800 -0.488 0.000 2.600 239 G HA2 0.524 4.493 3.960 0.015 0.000 0.293 239 G HA3 0.524 4.493 3.960 0.015 0.000 0.293 239 G C -1.935 171.970 174.900 -1.659 0.000 1.408 239 G CA -0.730 43.586 45.100 -1.308 0.000 0.782 239 G HN 0.488 nan 8.290 nan 0.000 0.482 240 R N 0.168 119.582 120.500 -1.811 0.000 2.561 240 R HA 0.395 4.744 4.340 0.015 0.000 0.297 240 R C -0.860 175.066 176.300 -0.624 0.000 0.969 240 R CA -0.728 54.709 56.100 -1.104 0.000 0.879 240 R CB 0.945 30.577 30.300 -1.113 0.000 1.178 240 R HN 0.657 nan 8.270 nan 0.000 0.445 241 H N 1.659 120.649 119.070 -0.135 0.000 2.690 241 H HA 0.011 4.576 4.556 0.014 0.000 0.365 241 H C 1.087 176.374 175.328 -0.068 0.000 1.142 241 H CA 0.783 56.803 56.048 -0.047 0.000 1.417 241 H CB 1.754 31.498 29.762 -0.030 0.000 1.446 241 H HN 0.729 nan 8.280 nan 0.000 0.599 242 T N -0.487 114.088 114.554 0.035 0.000 2.904 242 T HA -0.168 4.191 4.350 0.015 0.000 0.267 242 T C 1.418 176.080 174.700 -0.063 0.000 1.059 242 T CA 1.104 63.210 62.100 0.010 0.000 1.137 242 T CB 0.147 68.977 68.868 -0.063 0.000 0.879 242 T HN 0.599 nan 8.240 nan 0.000 0.467 243 N N 2.619 121.059 118.700 -0.433 0.000 2.333 243 N HA -0.064 4.685 4.740 0.015 0.000 0.183 243 N C 1.345 176.421 175.510 -0.724 0.000 1.030 243 N CA 1.513 54.242 53.050 -0.535 0.000 0.867 243 N CB -0.741 37.301 38.487 -0.742 0.000 1.027 243 N HN 0.564 nan 8.380 nan 0.000 0.435 244 D N -1.090 118.821 120.400 -0.816 0.000 2.349 244 D HA -0.049 4.600 4.640 0.015 0.000 0.214 244 D C -0.334 175.805 176.300 -0.269 0.000 1.063 244 D CA -0.225 53.331 54.000 -0.740 0.000 0.847 244 D CB -1.094 39.375 40.800 -0.552 0.000 0.933 244 D HN 0.588 nan 8.370 nan 0.000 0.513 245 H N -0.947 118.041 119.070 -0.137 0.000 2.861 245 H HA -0.187 4.377 4.556 0.014 0.000 0.289 245 H C 0.195 175.459 175.328 -0.106 0.000 1.176 245 H CA 0.356 56.346 56.048 -0.095 0.000 1.146 245 H CB -1.797 27.923 29.762 -0.071 0.000 1.330 245 H HN 0.328 nan 8.280 nan 0.000 0.379 246 M N 1.308 120.948 119.600 0.068 0.000 2.211 246 M HA 0.325 4.814 4.480 0.015 0.000 0.356 246 M C -0.269 176.020 176.300 -0.018 0.000 1.216 246 M CA -0.370 54.952 55.300 0.036 0.000 1.134 246 M CB 0.684 33.367 32.600 0.138 0.000 1.564 246 M HN 0.023 nan 8.290 nan 0.000 0.463 247 V N 5.285 125.197 119.914 -0.003 0.000 2.383 247 V HA 0.561 4.689 4.120 0.015 0.000 0.275 247 V C -0.120 176.044 176.094 0.116 0.000 1.036 247 V CA -0.049 62.253 62.300 0.003 0.000 0.889 247 V CB 0.730 32.712 31.823 0.266 0.000 0.985 247 V HN 1.039 nan 8.190 nan 0.000 0.459 248 S N 5.115 120.869 115.700 0.089 0.000 2.672 248 S HA 0.887 5.366 4.470 0.015 0.000 0.271 248 S C -1.046 173.765 174.600 0.352 0.000 1.171 248 S CA -0.826 57.472 58.200 0.165 0.000 0.817 248 S CB 2.218 65.418 63.200 -0.001 0.000 1.150 248 S HN 0.848 nan 8.310 nan 0.000 0.478 249 F N -1.358 118.704 119.950 0.186 0.000 2.629 249 F HA 0.908 5.444 4.527 0.014 0.000 0.316 249 F C -1.970 173.847 175.800 0.028 0.000 1.081 249 F CA -1.434 56.739 58.000 0.288 0.000 0.954 249 F CB 0.632 39.917 39.000 0.475 0.000 1.337 249 F HN 0.629 nan 8.300 nan 0.000 0.474 250 Y N 0.922 121.385 120.300 0.272 0.000 2.524 250 Y HA 0.856 5.415 4.550 0.016 0.000 0.344 250 Y C -0.013 175.985 175.900 0.164 0.000 1.012 250 Y CA -0.882 57.240 58.100 0.037 0.000 1.068 250 Y CB 2.143 40.577 38.460 -0.045 0.000 1.249 250 Y HN 1.049 nan 8.280 nan 0.000 0.468 251 A N 0.450 123.387 122.820 0.196 0.000 2.594 251 A HA 0.757 5.086 4.320 0.015 0.000 0.291 251 A C -1.302 176.287 177.584 0.009 0.000 1.105 251 A CA -0.899 51.221 52.037 0.137 0.000 0.694 251 A CB 1.102 20.248 19.000 0.243 0.000 1.291 251 A HN 0.536 nan 8.150 nan 0.000 0.410 252 S N 1.229 116.880 115.700 -0.082 0.000 2.513 252 S HA 0.556 5.035 4.470 0.015 0.000 0.276 252 S C 0.703 174.979 174.600 -0.539 0.000 1.254 252 S CA 0.129 58.195 58.200 -0.223 0.000 1.053 252 S CB 0.873 63.959 63.200 -0.190 0.000 0.958 252 S HN 1.082 nan 8.310 nan 0.000 0.491 253 T N 0.755 114.918 114.554 -0.651 0.000 2.824 253 T HA 0.352 4.711 4.350 0.015 0.000 0.277 253 T C -2.208 171.959 174.700 -0.889 0.000 0.975 253 T CA -1.824 59.523 62.100 -1.254 0.000 0.966 253 T CB 0.171 68.411 68.868 -1.047 0.000 1.054 253 T HN 0.168 nan 8.240 nan 0.000 0.533 254 P HA 0.098 nan 4.420 nan 0.000 0.230 254 P C 0.995 178.235 177.300 -0.101 0.000 1.158 254 P CA 0.535 63.358 63.100 -0.462 0.000 0.769 254 P CB 0.054 31.500 31.700 -0.424 0.000 0.807 255 S N -2.078 113.645 115.700 0.039 0.000 2.556 255 S HA 0.317 4.796 4.470 0.015 0.000 0.216 255 S C 1.686 176.317 174.600 0.051 0.000 0.970 255 S CA 0.556 58.858 58.200 0.169 0.000 0.912 255 S CB -0.224 63.196 63.200 0.367 0.000 0.790 255 S HN 0.311 nan 8.310 nan 0.000 0.504 256 G N 1.141 109.911 108.800 -0.050 0.000 2.454 256 G HA2 -0.293 3.676 3.960 0.015 0.000 0.225 256 G HA3 -0.293 3.676 3.960 0.015 0.000 0.225 256 G C 0.298 175.168 174.900 -0.051 0.000 1.138 256 G CA 0.009 45.077 45.100 -0.054 0.000 0.667 256 G HN 0.415 nan 8.290 nan 0.000 0.512 257 V N 2.388 122.314 119.914 0.019 0.000 2.814 257 V HA 0.294 4.423 4.120 0.015 0.000 0.307 257 V C 0.962 177.045 176.094 -0.018 0.000 1.089 257 V CA 0.877 63.208 62.300 0.052 0.000 1.212 257 V CB 1.158 33.104 31.823 0.205 0.000 0.912 257 V HN 0.556 nan 8.190 nan 0.000 0.497 258 E N 1.961 122.125 120.200 -0.060 0.000 2.280 258 E HA 0.642 5.001 4.350 0.015 0.000 0.261 258 E C -0.928 175.629 176.600 -0.073 0.000 1.088 258 E CA -0.614 55.737 56.400 -0.081 0.000 0.915 258 E CB 2.143 31.770 29.700 -0.121 0.000 1.141 258 E HN 0.432 nan 8.360 nan 0.000 0.433 259 V N 0.749 120.550 119.914 -0.188 0.000 2.709 259 V HA 0.285 4.414 4.120 0.015 0.000 0.308 259 V C -1.323 174.547 176.094 -0.373 0.000 1.062 259 V CA -0.434 61.560 62.300 -0.510 0.000 0.901 259 V CB 1.863 33.312 31.823 -0.623 0.000 1.003 259 V HN 0.720 nan 8.190 nan 0.000 0.425 260 E N 4.657 124.591 120.200 -0.443 0.000 2.179 260 E HA 0.429 4.788 4.350 0.015 0.000 0.275 260 E C -2.151 174.186 176.600 -0.438 0.000 0.945 260 E CA -0.693 55.306 56.400 -0.668 0.000 0.792 260 E CB 1.783 31.030 29.700 -0.755 0.000 1.125 260 E HN 0.726 nan 8.360 nan 0.000 0.397 261 Y N 2.854 122.701 120.300 -0.755 0.000 2.332 261 Y HA 0.571 5.131 4.550 0.016 0.000 0.326 261 Y C -0.295 175.396 175.900 -0.347 0.000 0.978 261 Y CA -0.258 57.513 58.100 -0.547 0.000 1.205 261 Y CB 1.574 39.541 38.460 -0.821 0.000 1.131 261 Y HN 0.627 nan 8.280 nan 0.000 0.462 262 G N 2.987 111.671 108.800 -0.194 0.000 2.798 262 G HA2 0.511 4.480 3.960 0.015 0.000 0.286 262 G HA3 0.511 4.480 3.960 0.015 0.000 0.286 262 G C -2.501 172.455 174.900 0.094 0.000 1.389 262 G CA -0.871 44.227 45.100 -0.004 0.000 0.894 262 G HN 0.635 nan 8.290 nan 0.000 0.488 263 W N -0.748 120.526 121.300 -0.044 0.000 3.296 263 W HA 0.502 5.168 4.660 0.011 0.000 0.314 263 W C 0.472 176.996 176.519 0.008 0.000 1.238 263 W CA 0.124 57.452 57.345 -0.029 0.000 1.193 263 W CB 1.682 31.134 29.460 -0.013 0.000 1.383 263 W HN 1.393 nan 8.180 nan 0.000 0.545 264 S N 1.860 116.996 115.700 -0.941 0.000 3.672 264 S HA -0.122 4.357 4.470 0.015 0.000 0.319 264 S C -0.071 174.265 174.600 -0.441 0.000 1.151 264 S CA 0.909 58.494 58.200 -1.025 0.000 0.911 264 S CB -1.791 60.271 63.200 -1.897 0.000 0.939 264 S HN 1.544 nan 8.310 nan 0.000 0.524 265 A N 1.184 123.862 122.820 -0.237 0.000 2.386 265 A HA 0.569 4.898 4.320 0.015 0.000 0.248 265 A C 0.562 178.084 177.584 -0.104 0.000 1.082 265 A CA 0.180 52.145 52.037 -0.120 0.000 0.789 265 A CB 0.229 19.187 19.000 -0.069 0.000 1.025 265 A HN 0.835 nan 8.150 nan 0.000 0.490 266 R N 0.349 120.805 120.500 -0.074 0.000 2.528 266 R HA 0.598 4.947 4.340 0.015 0.000 0.271 266 R C -0.030 176.236 176.300 -0.057 0.000 1.056 266 R CA 0.076 56.149 56.100 -0.045 0.000 1.117 266 R CB 0.373 30.667 30.300 -0.010 0.000 1.085 266 R HN 0.684 nan 8.270 nan 0.000 0.530 267 T N -1.783 112.744 114.554 -0.045 0.000 2.937 267 T HA 0.572 4.931 4.350 0.015 0.000 0.283 267 T C 0.321 174.940 174.700 -0.136 0.000 1.012 267 T CA -0.692 61.354 62.100 -0.089 0.000 0.997 267 T CB 1.529 70.355 68.868 -0.070 0.000 1.136 267 T HN 0.624 nan 8.240 nan 0.000 0.551 268 V N -1.763 117.984 119.914 -0.277 0.000 2.919 268 V HA 0.807 4.936 4.120 0.015 0.000 0.316 268 V C -0.851 175.114 176.094 -0.214 0.000 1.077 268 V CA -0.824 61.250 62.300 -0.378 0.000 0.977 268 V CB 1.727 32.937 31.823 -1.022 0.000 1.039 268 V HN 1.098 nan 8.190 nan 0.000 0.441 269 D N 0.717 121.077 120.400 -0.065 0.000 2.732 269 D HA 0.418 5.067 4.640 0.015 0.000 0.292 269 D C 0.564 176.893 176.300 0.048 0.000 1.135 269 D CA -0.753 53.240 54.000 -0.012 0.000 1.071 269 D CB 2.314 43.136 40.800 0.036 0.000 1.457 269 D HN 0.425 nan 8.370 nan 0.000 0.547 270 R N -0.281 120.250 120.500 0.052 0.000 2.285 270 R HA 0.047 4.396 4.340 0.015 0.000 0.213 270 R C 1.429 177.790 176.300 0.101 0.000 1.068 270 R CA 0.440 56.586 56.100 0.076 0.000 1.004 270 R CB -0.342 29.986 30.300 0.047 0.000 0.873 270 R HN 0.170 nan 8.270 nan 0.000 0.467 271 S N -0.345 115.420 115.700 0.109 0.000 2.575 271 S HA 0.025 4.504 4.470 0.015 0.000 0.215 271 S C 0.243 174.919 174.600 0.127 0.000 0.966 271 S CA -0.565 57.691 58.200 0.094 0.000 0.911 271 S CB 0.156 63.395 63.200 0.065 0.000 0.780 271 S HN 0.382 nan 8.310 nan 0.000 0.514 272 W N 3.861 125.152 121.300 -0.015 0.000 2.193 272 W HA 0.318 4.986 4.660 0.012 0.000 0.338 272 W C -0.546 175.982 176.519 0.014 0.000 1.310 272 W CA -0.055 57.283 57.345 -0.012 0.000 1.243 272 W CB 0.487 29.915 29.460 -0.053 0.000 1.165 272 W HN -0.013 nan 8.180 nan 0.000 0.566 273 V N 4.690 124.240 119.914 -0.607 0.000 2.680 273 V HA 0.502 4.631 4.120 0.015 0.000 0.309 273 V C -0.416 175.375 176.094 -0.504 0.000 1.052 273 V CA -1.169 60.913 62.300 -0.364 0.000 0.908 273 V CB 0.877 32.543 31.823 -0.262 0.000 1.001 273 V HN 0.297 nan 8.190 nan 0.000 0.431 274 V N 5.092 124.959 119.914 -0.079 0.000 2.655 274 V HA 0.476 4.605 4.120 0.015 0.000 0.300 274 V C 0.597 176.674 176.094 -0.028 0.000 1.044 274 V CA 0.809 63.156 62.300 0.078 0.000 1.095 274 V CB 0.953 32.870 31.823 0.157 0.000 0.952 274 V HN 1.167 nan 8.190 nan 0.000 0.485 275 V N 3.163 123.091 119.914 0.023 0.000 3.156 275 V HA 0.859 4.988 4.120 0.015 0.000 0.310 275 V C -0.684 175.417 176.094 0.011 0.000 1.234 275 V CA -1.292 60.975 62.300 -0.056 0.000 1.065 275 V CB 2.297 34.010 31.823 -0.184 0.000 1.088 275 V HN 0.964 nan 8.190 nan 0.000 0.451 276 R N -0.378 120.063 120.500 -0.099 0.000 2.837 276 R HA 0.744 5.093 4.340 0.015 0.000 0.271 276 R C -1.232 174.943 176.300 -0.209 0.000 0.993 276 R CA -0.799 55.283 56.100 -0.029 0.000 0.931 276 R CB 1.959 32.263 30.300 0.007 0.000 1.206 276 R HN 0.947 nan 8.270 nan 0.000 0.474 277 H N -0.047 119.043 119.070 0.034 0.000 2.928 277 H HA 0.250 4.814 4.556 0.014 0.000 0.371 277 H C -0.720 174.625 175.328 0.028 0.000 1.186 277 H CA -0.827 55.237 56.048 0.028 0.000 1.134 277 H CB 2.666 32.439 29.762 0.019 0.000 1.824 277 H HN 0.715 nan 8.280 nan 0.000 0.554 278 D N 0.306 120.801 120.400 0.158 0.000 2.433 278 D HA 0.052 4.701 4.640 0.015 0.000 0.211 278 D C 0.051 176.409 176.300 0.097 0.000 1.114 278 D CA 0.499 54.559 54.000 0.100 0.000 0.837 278 D CB 1.143 41.983 40.800 0.066 0.000 0.984 278 D HN 0.231 nan 8.370 nan 0.000 0.505 279 S N 0.622 116.394 115.700 0.119 0.000 2.540 279 S HA 0.379 4.858 4.470 0.015 0.000 0.275 279 S C -2.340 172.300 174.600 0.067 0.000 1.123 279 S CA -1.243 57.011 58.200 0.090 0.000 0.907 279 S CB 2.419 65.673 63.200 0.089 0.000 1.081 279 S HN -0.238 nan 8.310 nan 0.000 0.476 280 P HA 0.237 nan 4.420 nan 0.000 0.245 280 P C -0.295 177.114 177.300 0.182 0.000 1.203 280 P CA -0.024 63.115 63.100 0.066 0.000 0.792 280 P CB 0.294 32.055 31.700 0.102 0.000 0.997 281 S N -0.414 115.369 115.700 0.139 0.000 2.557 281 S HA 0.397 4.876 4.470 0.015 0.000 0.291 281 S C 0.902 175.512 174.600 0.015 0.000 1.116 281 S CA -0.513 57.747 58.200 0.101 0.000 0.992 281 S CB 1.684 64.987 63.200 0.171 0.000 1.028 281 S HN -0.148 nan 8.310 nan 0.000 0.484 282 M N 1.855 121.402 119.600 -0.088 0.000 2.156 282 M HA 0.110 4.599 4.480 0.015 0.000 0.264 282 M C 0.245 176.604 176.300 0.099 0.000 1.067 282 M CA 1.379 56.671 55.300 -0.014 0.000 1.131 282 M CB 0.160 32.723 32.600 -0.061 0.000 1.368 282 M HN 0.728 nan 8.290 nan 0.000 0.416 283 W N -1.471 119.802 121.300 -0.046 0.000 3.137 283 W HA 0.554 5.221 4.660 0.013 0.000 0.324 283 W C -0.014 176.437 176.519 -0.113 0.000 1.253 283 W CA -0.700 56.609 57.345 -0.059 0.000 1.183 283 W CB -0.174 29.248 29.460 -0.063 0.000 1.424 283 W HN 0.408 nan 8.180 nan 0.000 0.566 284 G N 0.980 109.965 108.800 0.308 0.000 2.569 284 G HA2 -0.340 3.629 3.960 0.015 0.000 0.259 284 G HA3 -0.340 3.629 3.960 0.015 0.000 0.259 284 G C -0.060 174.893 174.900 0.089 0.000 1.263 284 G CA 0.983 46.189 45.100 0.177 0.000 0.928 284 G HN 1.584 nan 8.290 nan 0.000 0.572 285 H N -0.610 118.509 119.070 0.083 0.000 2.770 285 H HA -0.144 4.421 4.556 0.015 0.000 0.309 285 H C 0.898 176.268 175.328 0.070 0.000 1.206 285 H CA 0.990 57.084 56.048 0.077 0.000 1.147 285 H CB -0.700 29.062 29.762 0.000 0.000 1.422 285 H HN 0.684 nan 8.280 nan 0.000 0.420 286 K N 1.453 121.973 120.400 0.200 0.000 2.322 286 K HA 0.265 4.594 4.320 0.015 0.000 0.283 286 K C 0.255 176.922 176.600 0.111 0.000 1.042 286 K CA -0.147 56.218 56.287 0.130 0.000 0.958 286 K CB 0.992 33.559 32.500 0.113 0.000 0.984 286 K HN 0.152 nan 8.250 nan 0.000 0.473 287 S N 3.536 119.273 115.700 0.062 0.000 2.488 287 S HA 0.242 4.721 4.470 0.015 0.000 0.278 287 S C -0.215 174.411 174.600 0.043 0.000 1.259 287 S CA -0.659 57.562 58.200 0.034 0.000 1.061 287 S CB -0.128 63.072 63.200 -0.000 0.000 0.910 287 S HN 0.435 nan 8.310 nan 0.000 0.491 288 V N 0.000 119.942 119.914 0.047 0.000 2.409 288 V HA 0.000 4.129 4.120 0.015 0.000 0.244 288 V CA 0.000 62.324 62.300 0.040 0.000 1.235 288 V CB 0.000 31.862 31.823 0.065 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556