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 3dta_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGDAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.616 177.584 0.053 0.000 1.274 1 A CA 0.000 52.058 52.037 0.035 0.000 0.836 1 A CB 0.000 19.018 19.000 0.031 0.000 0.831 2 E N 0.065 120.293 120.200 0.047 0.000 2.374 2 E HA 0.373 4.723 4.350 0.001 0.000 0.260 2 E C -1.044 175.620 176.600 0.107 0.000 1.101 2 E CA -0.342 56.096 56.400 0.063 0.000 0.907 2 E CB 0.528 30.241 29.700 0.022 0.000 1.014 2 E HN 0.661 nan 8.360 nan 0.000 0.427 3 Y N 2.386 122.680 120.300 -0.009 0.000 2.309 3 Y HA 0.047 4.598 4.550 0.000 0.000 0.327 3 Y C 0.545 176.435 175.900 -0.016 0.000 1.172 3 Y CA 0.075 58.174 58.100 -0.002 0.000 1.280 3 Y CB 1.161 39.621 38.460 0.000 0.000 1.234 3 Y HN 0.513 nan 8.280 nan 0.000 0.512 4 Q N 2.893 122.262 119.800 -0.719 0.000 2.378 4 Q HA 0.015 4.355 4.340 0.001 0.000 0.229 4 Q C 0.211 175.774 176.000 -0.729 0.000 0.882 4 Q CA 0.565 56.036 55.803 -0.553 0.000 0.936 4 Q CB 0.071 28.654 28.738 -0.260 0.000 1.092 4 Q HN 0.886 nan 8.270 nan 0.000 0.535 5 N N 0.178 118.133 118.700 -1.242 0.000 2.780 5 N HA -0.150 4.591 4.740 0.001 0.000 0.248 5 N C 0.203 175.544 175.510 -0.282 0.000 1.102 5 N CA 0.252 52.921 53.050 -0.635 0.000 0.697 5 N CB -0.963 37.267 38.487 -0.429 0.000 1.028 5 N HN 0.170 nan 8.380 nan 0.000 0.554 6 I N -1.362 119.061 120.570 -0.245 0.000 2.731 6 I HA 0.117 4.288 4.170 0.001 0.000 0.260 6 I C 0.505 176.412 176.117 -0.349 0.000 1.138 6 I CA 1.038 62.142 61.300 -0.325 0.000 1.461 6 I CB -0.429 37.344 38.000 -0.378 0.000 1.128 6 I HN 0.060 nan 8.210 nan 0.000 0.438 7 F N 0.283 120.343 119.950 0.184 0.000 2.540 7 F HA 0.384 4.911 4.527 0.000 0.000 0.317 7 F C 0.843 176.865 175.800 0.369 0.000 1.104 7 F CA -0.843 57.334 58.000 0.295 0.000 0.913 7 F CB 1.274 40.421 39.000 0.245 0.000 1.170 7 F HN -0.334 nan 8.300 nan 0.000 0.450 8 S N 1.390 117.434 115.700 0.574 0.000 2.560 8 S HA 0.036 4.506 4.470 0.001 0.000 0.284 8 S C 0.861 175.725 174.600 0.440 0.000 1.327 8 S CA -0.449 58.004 58.200 0.423 0.000 1.055 8 S CB 0.648 64.018 63.200 0.282 0.000 0.868 8 S HN 0.757 nan 8.310 nan 0.000 0.506 9 Q N 0.477 120.397 119.800 0.200 0.000 2.247 9 Q HA 0.356 4.696 4.340 0.001 0.000 0.211 9 Q C -0.535 175.552 176.000 0.144 0.000 0.861 9 Q CA 0.031 55.913 55.803 0.133 0.000 0.949 9 Q CB 0.255 28.905 28.738 -0.146 0.000 1.115 9 Q HN 0.348 nan 8.270 nan 0.000 0.507 10 V N 1.503 121.478 119.914 0.102 0.000 2.737 10 V HA 0.200 4.320 4.120 0.001 0.000 0.298 10 V C -1.074 174.996 176.094 -0.040 0.000 1.163 10 V CA -0.784 61.535 62.300 0.031 0.000 0.925 10 V CB 1.982 33.804 31.823 -0.001 0.000 1.037 10 V HN 0.189 nan 8.190 nan 0.000 0.433 11 Q N 2.297 122.022 119.800 -0.125 0.000 2.230 11 Q HA 0.770 5.110 4.340 0.001 0.000 0.253 11 Q C -1.243 174.695 176.000 -0.103 0.000 0.919 11 Q CA -0.506 55.186 55.803 -0.185 0.000 0.908 11 Q CB 2.723 31.241 28.738 -0.368 0.000 1.245 11 Q HN 0.551 nan 8.270 nan 0.000 0.437 12 V N 3.116 122.985 119.914 -0.075 0.000 2.686 12 V HA 0.491 4.611 4.120 0.001 0.000 0.306 12 V C -0.777 175.313 176.094 -0.007 0.000 1.065 12 V CA -0.633 61.645 62.300 -0.037 0.000 0.894 12 V CB 2.229 34.037 31.823 -0.025 0.000 1.004 12 V HN 0.664 nan 8.190 nan 0.000 0.424 13 R N 2.287 122.795 120.500 0.012 0.000 2.686 13 R HA 0.799 5.139 4.340 0.001 0.000 0.283 13 R C -0.246 176.087 176.300 0.055 0.000 0.978 13 R CA -0.170 55.981 56.100 0.084 0.000 0.897 13 R CB 2.292 32.631 30.300 0.065 0.000 1.192 13 R HN 0.901 nan 8.270 nan 0.000 0.457 14 G N 2.224 111.097 108.800 0.120 0.000 3.022 14 G HA2 0.530 4.490 3.960 0.001 0.000 0.284 14 G HA3 0.530 4.490 3.960 0.001 0.000 0.284 14 G C -2.638 172.342 174.900 0.133 0.000 1.375 14 G CA -1.098 44.048 45.100 0.077 0.000 0.902 14 G HN 0.458 nan 8.290 nan 0.000 0.538 15 P HA 0.371 nan 4.420 nan 0.000 0.264 15 P C 0.225 177.632 177.300 0.179 0.000 1.193 15 P CA -0.026 63.142 63.100 0.112 0.000 0.763 15 P CB 0.605 32.338 31.700 0.055 0.000 0.810 16 A N 3.108 126.097 122.820 0.281 0.000 2.591 16 A HA -0.065 4.255 4.320 0.001 0.000 0.244 16 A C 0.617 178.235 177.584 0.057 0.000 1.031 16 A CA 0.296 52.456 52.037 0.205 0.000 0.767 16 A CB -0.487 18.644 19.000 0.217 0.000 0.942 16 A HN 0.566 nan 8.150 nan 0.000 0.514 17 D N 2.584 122.975 120.400 -0.016 0.000 2.325 17 D HA 0.246 4.886 4.640 0.001 0.000 0.251 17 D C 0.632 176.912 176.300 -0.034 0.000 1.196 17 D CA -0.022 53.962 54.000 -0.026 0.000 0.866 17 D CB 0.633 41.405 40.800 -0.047 0.000 1.101 17 D HN 0.488 nan 8.370 nan 0.000 0.476 18 L N 3.206 124.419 121.223 -0.017 0.000 2.591 18 L HA 0.225 4.566 4.340 0.001 0.000 0.228 18 L C 1.448 178.307 176.870 -0.019 0.000 1.133 18 L CA 0.213 55.043 54.840 -0.017 0.000 0.880 18 L CB -0.472 41.582 42.059 -0.007 0.000 1.033 18 L HN 0.627 nan 8.230 nan 0.000 0.450 19 G N 0.017 108.803 108.800 -0.024 0.000 2.846 19 G HA2 -0.209 3.751 3.960 0.001 0.000 0.660 19 G HA3 -0.209 3.751 3.960 0.001 0.000 0.660 19 G C -0.166 174.721 174.900 -0.021 0.000 1.464 19 G CA -0.938 44.145 45.100 -0.027 0.000 0.891 19 G HN -0.103 nan 8.290 nan 0.000 0.552 20 M N 0.405 119.988 119.600 -0.027 0.000 2.252 20 M HA 0.181 4.661 4.480 0.001 0.000 0.329 20 M C 1.683 177.971 176.300 -0.020 0.000 1.101 20 M CA 0.991 56.275 55.300 -0.026 0.000 1.117 20 M CB -0.197 32.382 32.600 -0.035 0.000 1.563 20 M HN 0.710 nan 8.290 nan 0.000 0.445 21 T N -0.081 114.463 114.554 -0.017 0.000 2.990 21 T HA 0.059 4.409 4.350 0.001 0.000 0.237 21 T C 0.541 175.233 174.700 -0.013 0.000 1.009 21 T CA 0.090 62.185 62.100 -0.009 0.000 1.195 21 T CB 0.203 69.067 68.868 -0.006 0.000 0.885 21 T HN 0.616 nan 8.240 nan 0.000 0.424 22 E N 0.881 121.070 120.200 -0.018 0.000 3.374 22 E HA -0.183 4.167 4.350 0.001 0.000 0.319 22 E C 0.277 176.867 176.600 -0.016 0.000 1.492 22 E CA 1.448 57.834 56.400 -0.023 0.000 1.899 22 E CB -1.298 28.380 29.700 -0.037 0.000 1.894 22 E HN 0.347 nan 8.360 nan 0.000 0.484 23 D N 0.656 121.042 120.400 -0.024 0.000 2.340 23 D HA 0.123 4.763 4.640 0.001 0.000 0.220 23 D C 0.093 176.390 176.300 -0.006 0.000 1.039 23 D CA 0.185 54.175 54.000 -0.017 0.000 0.866 23 D CB 0.072 40.857 40.800 -0.025 0.000 0.913 23 D HN 0.016 nan 8.370 nan 0.000 0.523 24 V N 2.187 122.100 119.914 -0.002 0.000 2.617 24 V HA -0.106 4.015 4.120 0.001 0.000 0.304 24 V C 0.943 177.097 176.094 0.100 0.000 1.040 24 V CA -0.278 62.049 62.300 0.046 0.000 1.149 24 V CB 0.433 32.291 31.823 0.058 0.000 0.914 24 V HN 0.127 nan 8.190 nan 0.000 0.487 25 N N 5.066 123.879 118.700 0.188 0.000 2.466 25 N HA 0.102 4.842 4.740 0.001 0.000 0.263 25 N C 0.788 176.339 175.510 0.069 0.000 1.178 25 N CA 0.163 53.289 53.050 0.126 0.000 0.983 25 N CB 0.338 38.906 38.487 0.135 0.000 1.331 25 N HN 0.672 nan 8.380 nan 0.000 0.500 26 L N 2.160 123.397 121.223 0.024 0.000 2.353 26 L HA -0.140 4.200 4.340 0.001 0.000 0.220 26 L C 2.122 178.944 176.870 -0.080 0.000 1.133 26 L CA 0.880 55.709 54.840 -0.019 0.000 0.798 26 L CB -0.351 41.701 42.059 -0.012 0.000 0.922 26 L HN 0.544 nan 8.230 nan 0.000 0.445 27 A N 0.138 122.905 122.820 -0.088 0.000 1.969 27 A HA -0.171 4.149 4.320 0.001 0.000 0.218 27 A C 2.036 179.502 177.584 -0.197 0.000 1.169 27 A CA 1.545 53.516 52.037 -0.110 0.000 0.635 27 A CB -0.317 18.633 19.000 -0.082 0.000 0.810 27 A HN 0.425 nan 8.150 nan 0.000 0.445 28 N N -0.435 118.055 118.700 -0.350 0.000 2.395 28 N HA 0.006 4.746 4.740 0.001 0.000 0.175 28 N C 0.568 175.696 175.510 -0.637 0.000 1.029 28 N CA 0.175 52.852 53.050 -0.622 0.000 0.897 28 N CB -0.141 37.622 38.487 -1.207 0.000 0.991 28 N HN 0.401 nan 8.380 nan 0.000 0.441 29 R N 1.345 121.559 120.500 -0.477 0.000 2.734 29 R HA 0.033 4.373 4.340 0.001 0.000 0.266 29 R C 1.109 177.319 176.300 -0.151 0.000 1.044 29 R CA 0.146 56.110 56.100 -0.226 0.000 1.128 29 R CB 0.570 30.828 30.300 -0.071 0.000 1.010 29 R HN 0.205 nan 8.270 nan 0.000 0.461 30 S N 0.748 116.394 115.700 -0.090 0.000 2.552 30 S HA 0.420 4.890 4.470 0.001 0.000 0.271 30 S C 0.442 175.018 174.600 -0.040 0.000 1.168 30 S CA -0.410 57.753 58.200 -0.061 0.000 1.026 30 S CB 1.021 64.199 63.200 -0.037 0.000 1.120 30 S HN 0.628 nan 8.310 nan 0.000 0.514 31 G N -0.343 108.442 108.800 -0.025 0.000 2.410 31 G HA2 0.543 4.503 3.960 0.001 0.000 0.330 31 G HA3 0.543 4.503 3.960 0.001 0.000 0.330 31 G C -0.528 174.371 174.900 -0.003 0.000 1.142 31 G CA -0.824 44.269 45.100 -0.011 0.000 0.902 31 G HN 0.744 nan 8.290 nan 0.000 0.491 32 V N 0.716 120.634 119.914 0.007 0.000 2.928 32 V HA 0.336 4.456 4.120 0.001 0.000 0.307 32 V C 1.462 177.572 176.094 0.027 0.000 1.105 32 V CA 0.900 63.206 62.300 0.010 0.000 1.223 32 V CB 0.835 32.682 31.823 0.040 0.000 0.930 32 V HN 0.936 nan 8.190 nan 0.000 0.499 33 G N 3.989 112.796 108.800 0.013 0.000 2.557 33 G HA2 0.655 4.615 3.960 0.001 0.000 0.302 33 G HA3 0.655 4.615 3.960 0.001 0.000 0.302 33 G C -2.640 172.316 174.900 0.093 0.000 1.311 33 G CA -1.199 43.920 45.100 0.032 0.000 1.030 33 G HN 0.617 nan 8.290 nan 0.000 0.509 34 P HA 0.269 nan 4.420 nan 0.000 0.272 34 P C -1.011 176.442 177.300 0.256 0.000 1.254 34 P CA -0.305 62.909 63.100 0.190 0.000 0.795 34 P CB 0.451 32.220 31.700 0.115 0.000 1.022 35 F N -0.705 119.239 119.950 -0.010 0.000 2.421 35 F HA 0.347 4.874 4.527 0.000 0.000 0.337 35 F C 1.092 176.884 175.800 -0.014 0.000 1.105 35 F CA -0.450 57.540 58.000 -0.017 0.000 1.049 35 F CB 1.155 40.138 39.000 -0.029 0.000 1.139 35 F HN 0.052 nan 8.300 nan 0.000 0.479 36 S N 1.741 117.513 115.700 0.119 0.000 2.448 36 S HA 0.241 4.711 4.470 0.001 0.000 0.320 36 S C 0.810 175.442 174.600 0.054 0.000 1.071 36 S CA -0.495 57.756 58.200 0.084 0.000 1.113 36 S CB 0.621 63.859 63.200 0.065 0.000 0.972 36 S HN 0.714 nan 8.310 nan 0.000 0.465 37 T N 5.615 120.193 114.554 0.040 0.000 2.915 37 T HA -0.082 4.269 4.350 0.001 0.000 0.269 37 T C 1.704 176.376 174.700 -0.047 0.000 1.071 37 T CA 1.024 63.081 62.100 -0.071 0.000 1.132 37 T CB -0.266 68.581 68.868 -0.037 0.000 0.878 37 T HN 0.559 nan 8.240 nan 0.000 0.479 38 L N 1.293 122.604 121.223 0.145 0.000 1.970 38 L HA 0.003 4.343 4.340 0.001 0.000 0.212 38 L C 2.137 179.196 176.870 0.316 0.000 1.071 38 L CA 1.739 56.761 54.840 0.303 0.000 0.751 38 L CB -0.759 41.409 42.059 0.181 0.000 0.889 38 L HN 0.224 nan 8.230 nan 0.000 0.432 39 L N -0.558 120.771 121.223 0.176 0.000 2.127 39 L HA -0.140 4.200 4.340 0.001 0.000 0.211 39 L C 2.488 179.466 176.870 0.180 0.000 1.089 39 L CA 1.114 56.059 54.840 0.175 0.000 0.757 39 L CB -1.434 40.687 42.059 0.103 0.000 0.899 39 L HN 0.517 nan 8.230 nan 0.000 0.434 40 G N -0.695 108.122 108.800 0.027 0.000 2.516 40 G HA2 -0.261 3.700 3.960 0.001 0.000 0.221 40 G HA3 -0.261 3.700 3.960 0.001 0.000 0.221 40 G C 1.066 175.912 174.900 -0.090 0.000 1.107 40 G CA 0.296 45.327 45.100 -0.116 0.000 0.747 40 G HN 0.469 nan 8.290 nan 0.000 0.567 41 W N -1.690 119.729 121.300 0.198 0.000 2.770 41 W HA 0.364 5.024 4.660 0.000 0.000 0.256 41 W C 1.826 178.600 176.519 0.425 0.000 1.291 41 W CA -0.751 56.761 57.345 0.278 0.000 1.396 41 W CB -0.009 29.605 29.460 0.257 0.000 1.114 41 W HN 0.107 nan 8.180 nan 0.000 0.637 42 F N -0.551 119.592 119.950 0.323 0.000 2.485 42 F HA 0.440 4.967 4.527 0.001 0.000 0.274 42 F C 1.753 177.602 175.800 0.081 0.000 0.963 42 F CA 1.306 59.416 58.000 0.182 0.000 1.169 42 F CB -0.655 38.432 39.000 0.146 0.000 1.145 42 F HN -0.263 nan 8.300 nan 0.000 0.682 43 G N -0.968 107.930 108.800 0.164 0.000 3.234 43 G HA2 0.255 4.215 3.960 0.001 0.000 0.159 43 G HA3 0.255 4.215 3.960 0.001 0.000 0.159 43 G C -1.340 173.577 174.900 0.027 0.000 1.175 43 G CA -0.396 44.716 45.100 0.020 0.000 0.900 43 G HN -0.041 nan 8.290 nan 0.000 0.621 44 D N 0.103 120.502 120.400 -0.001 0.000 2.372 44 D HA 0.468 5.109 4.640 0.001 0.000 0.243 44 D C 1.104 177.381 176.300 -0.039 0.000 1.121 44 D CA 0.437 54.415 54.000 -0.037 0.000 0.898 44 D CB 1.682 42.444 40.800 -0.062 0.000 1.202 44 D HN 0.369 nan 8.370 nan 0.000 0.428 45 A N 2.487 125.262 122.820 -0.075 0.000 2.095 45 A HA -0.035 4.285 4.320 0.001 0.000 0.212 45 A C 0.974 178.450 177.584 -0.179 0.000 1.162 45 A CA 0.306 52.301 52.037 -0.069 0.000 0.753 45 A CB -0.177 18.816 19.000 -0.012 0.000 0.840 45 A HN 0.580 nan 8.150 nan 0.000 0.468 46 Q N 0.572 120.169 119.800 -0.338 0.000 2.288 46 Q HA 0.503 4.844 4.340 0.001 0.000 0.258 46 Q C -1.327 174.500 176.000 -0.289 0.000 0.957 46 Q CA -0.241 55.221 55.803 -0.568 0.000 0.919 46 Q CB 0.514 28.868 28.738 -0.639 0.000 1.185 46 Q HN 0.478 nan 8.270 nan 0.000 0.408 47 L N 4.306 125.386 121.223 -0.239 0.000 2.295 47 L HA 0.616 4.957 4.340 0.001 0.000 0.285 47 L C 0.597 177.406 176.870 -0.102 0.000 1.035 47 L CA -0.010 54.763 54.840 -0.112 0.000 0.806 47 L CB 1.329 43.360 42.059 -0.047 0.000 1.214 47 L HN 1.040 nan 8.230 nan 0.000 0.426 48 G N 4.073 112.831 108.800 -0.071 0.000 2.782 48 G HA2 -0.163 3.797 3.960 0.001 0.000 0.228 48 G HA3 -0.163 3.797 3.960 0.001 0.000 0.228 48 G C -3.015 171.845 174.900 -0.067 0.000 1.372 48 G CA -1.022 44.047 45.100 -0.050 0.000 0.862 48 G HN 0.443 nan 8.290 nan 0.000 0.547 49 P HA 0.690 nan 4.420 nan 0.000 0.279 49 P C -0.142 177.154 177.300 -0.007 0.000 1.276 49 P CA -0.688 62.399 63.100 -0.021 0.000 0.801 49 P CB 0.954 32.642 31.700 -0.020 0.000 1.127 50 I N -0.784 119.788 120.570 0.004 0.000 2.785 50 I HA 0.442 4.612 4.170 0.001 0.000 0.302 50 I C -1.416 174.731 176.117 0.050 0.000 1.069 50 I CA -1.310 60.010 61.300 0.033 0.000 1.045 50 I CB 1.754 39.776 38.000 0.035 0.000 1.236 50 I HN 0.164 nan 8.210 nan 0.000 0.429 51 Y N 6.630 126.894 120.300 -0.059 0.000 2.341 51 Y HA 0.427 4.978 4.550 0.000 0.000 0.340 51 Y C -0.169 175.690 175.900 -0.069 0.000 0.997 51 Y CA -0.222 57.836 58.100 -0.070 0.000 1.149 51 Y CB 1.006 39.407 38.460 -0.098 0.000 1.171 51 Y HN 0.536 nan 8.280 nan 0.000 0.494 52 L N 4.392 125.550 121.223 -0.109 0.000 2.157 52 L HA 0.414 4.754 4.340 0.001 0.000 0.201 52 L C 1.118 178.053 176.870 0.108 0.000 1.221 52 L CA 0.493 55.330 54.840 -0.006 0.000 0.915 52 L CB -0.833 41.180 42.059 -0.076 0.000 1.013 52 L HN 0.906 nan 8.230 nan 0.000 0.522 53 G N -0.692 108.093 108.800 -0.025 0.000 2.829 53 G HA2 -0.239 3.722 3.960 0.001 0.000 0.628 53 G HA3 -0.239 3.722 3.960 0.001 0.000 0.628 53 G C 0.416 175.362 174.900 0.075 0.000 1.412 53 G CA -0.166 45.020 45.100 0.143 0.000 0.864 53 G HN 0.294 nan 8.290 nan 0.000 0.544 54 S N -0.397 115.342 115.700 0.064 0.000 2.355 54 S HA -0.074 4.397 4.470 0.001 0.000 0.222 54 S C 2.516 177.142 174.600 0.043 0.000 1.031 54 S CA 1.720 59.943 58.200 0.039 0.000 0.993 54 S CB -0.215 63.003 63.200 0.030 0.000 0.859 54 S HN 0.676 nan 8.310 nan 0.000 0.453 55 L N 1.917 123.157 121.223 0.029 0.000 2.093 55 L HA 0.077 4.417 4.340 0.001 0.000 0.208 55 L C 2.461 179.348 176.870 0.029 0.000 1.085 55 L CA 1.441 56.290 54.840 0.016 0.000 0.755 55 L CB -1.290 40.742 42.059 -0.046 0.000 0.904 55 L HN 0.390 nan 8.230 nan 0.000 0.435 56 G N -1.331 107.479 108.800 0.016 0.000 2.421 56 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 56 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 56 G C 1.566 176.539 174.900 0.120 0.000 1.171 56 G CA 1.091 46.221 45.100 0.050 0.000 0.775 56 G HN 0.268 nan 8.290 nan 0.000 0.543 57 V N 0.795 120.765 119.914 0.094 0.000 2.307 57 V HA -0.123 3.997 4.120 0.001 0.000 0.245 57 V C 2.666 178.850 176.094 0.150 0.000 1.045 57 V CA 1.620 63.982 62.300 0.103 0.000 1.024 57 V CB -0.609 31.246 31.823 0.053 0.000 0.651 57 V HN 0.348 nan 8.190 nan 0.000 0.449 58 L N 0.220 121.523 121.223 0.133 0.000 1.989 58 L HA -0.191 4.149 4.340 0.001 0.000 0.211 58 L C 2.668 179.662 176.870 0.206 0.000 1.071 58 L CA 2.563 57.511 54.840 0.180 0.000 0.749 58 L CB -0.824 41.318 42.059 0.139 0.000 0.890 58 L HN 0.336 nan 8.230 nan 0.000 0.431 59 S N -0.858 114.949 115.700 0.177 0.000 2.365 59 S HA -0.250 4.220 4.470 0.001 0.000 0.221 59 S C 2.033 176.722 174.600 0.148 0.000 1.037 59 S CA 1.932 60.246 58.200 0.190 0.000 1.060 59 S CB -0.730 62.662 63.200 0.320 0.000 0.974 59 S HN 0.441 nan 8.310 nan 0.000 0.427 60 L N 0.584 121.915 121.223 0.179 0.000 2.081 60 L HA -0.027 4.313 4.340 0.001 0.000 0.212 60 L C 1.992 178.920 176.870 0.097 0.000 1.080 60 L CA 2.030 56.941 54.840 0.117 0.000 0.754 60 L CB -0.935 41.209 42.059 0.142 0.000 0.893 60 L HN 0.544 nan 8.230 nan 0.000 0.433 61 F N -0.676 119.279 119.950 0.009 0.000 2.149 61 F HA -0.115 4.412 4.527 0.000 0.000 0.294 61 F C 2.463 178.210 175.800 -0.087 0.000 1.095 61 F CA 1.585 59.574 58.000 -0.017 0.000 1.276 61 F CB -0.608 38.391 39.000 -0.002 0.000 1.023 61 F HN 0.065 nan 8.300 nan 0.000 0.480 62 S N 0.553 116.154 115.700 -0.165 0.000 2.382 62 S HA -0.121 4.349 4.470 0.001 0.000 0.228 62 S C 2.348 176.785 174.600 -0.272 0.000 1.027 62 S CA 1.084 59.080 58.200 -0.339 0.000 0.991 62 S CB -1.398 61.779 63.200 -0.038 0.000 0.823 62 S HN 0.615 nan 8.310 nan 0.000 0.469 63 G N 1.993 110.706 108.800 -0.144 0.000 2.446 63 G HA2 -0.148 3.813 3.960 0.001 0.000 0.217 63 G HA3 -0.148 3.813 3.960 0.001 0.000 0.217 63 G C 1.325 176.173 174.900 -0.086 0.000 1.168 63 G CA 0.724 45.771 45.100 -0.088 0.000 0.771 63 G HN 0.452 nan 8.290 nan 0.000 0.551 64 L N -0.372 120.721 121.223 -0.217 0.000 2.109 64 L HA -0.012 4.328 4.340 0.001 0.000 0.207 64 L C 3.033 179.726 176.870 -0.296 0.000 1.086 64 L CA 0.438 55.081 54.840 -0.329 0.000 0.760 64 L CB -0.349 41.608 42.059 -0.169 0.000 0.910 64 L HN 0.123 nan 8.230 nan 0.000 0.437 65 M N -0.844 118.519 119.600 -0.394 0.000 2.080 65 M HA -0.250 4.231 4.480 0.001 0.000 0.260 65 M C 2.053 178.287 176.300 -0.110 0.000 1.068 65 M CA 1.725 56.737 55.300 -0.480 0.000 1.109 65 M CB -1.329 30.363 32.600 -1.514 0.000 1.342 65 M HN 0.409 nan 8.290 nan 0.000 0.405 66 W N 0.387 121.556 121.300 -0.219 0.000 2.332 66 W HA -0.293 4.367 4.660 0.000 0.000 0.321 66 W C 2.301 178.750 176.519 -0.116 0.000 1.219 66 W CA 1.789 59.105 57.345 -0.049 0.000 1.277 66 W CB -1.120 28.280 29.460 -0.100 0.000 1.161 66 W HN 0.209 nan 8.180 nan 0.000 0.476 67 F N -0.113 119.518 119.950 -0.532 0.000 2.161 67 F HA -0.191 4.336 4.527 0.001 0.000 0.300 67 F C 2.034 177.495 175.800 -0.565 0.000 1.089 67 F CA 2.007 59.508 58.000 -0.832 0.000 1.282 67 F CB -0.849 37.738 39.000 -0.687 0.000 1.010 67 F HN -0.151 nan 8.300 nan 0.000 0.485 68 F N -0.076 119.791 119.950 -0.139 0.000 2.187 68 F HA -0.078 4.449 4.527 0.000 0.000 0.295 68 F C 2.604 178.327 175.800 -0.127 0.000 1.091 68 F CA 1.524 59.454 58.000 -0.116 0.000 1.308 68 F CB -1.555 37.436 39.000 -0.016 0.000 1.030 68 F HN -0.201 nan 8.300 nan 0.000 0.487 69 T N 0.656 115.262 114.554 0.088 0.000 2.803 69 T HA -0.183 4.167 4.350 0.001 0.000 0.269 69 T C 2.206 176.882 174.700 -0.039 0.000 1.052 69 T CA 1.420 63.569 62.100 0.082 0.000 1.136 69 T CB -0.437 68.522 68.868 0.152 0.000 0.864 69 T HN 0.143 nan 8.240 nan 0.000 0.467 70 I N 0.789 121.170 120.570 -0.316 0.000 2.286 70 I HA -0.006 4.164 4.170 0.001 0.000 0.245 70 I C 2.852 178.723 176.117 -0.411 0.000 1.104 70 I CA 1.016 62.049 61.300 -0.445 0.000 1.397 70 I CB -0.590 36.871 38.000 -0.898 0.000 1.072 70 I HN 0.281 nan 8.210 nan 0.000 0.417 71 G N 1.934 110.488 108.800 -0.410 0.000 2.476 71 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 71 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 71 G C 1.683 176.748 174.900 0.276 0.000 1.164 71 G CA 1.337 46.356 45.100 -0.134 0.000 0.768 71 G HN 0.594 nan 8.290 nan 0.000 0.560 72 I N -3.243 117.495 120.570 0.279 0.000 2.315 72 I HA -0.022 4.148 4.170 0.001 0.000 0.248 72 I C 2.464 178.768 176.117 0.312 0.000 1.117 72 I CA 1.084 62.584 61.300 0.334 0.000 1.404 72 I CB -0.373 37.793 38.000 0.277 0.000 1.071 72 I HN 0.351 nan 8.210 nan 0.000 0.419 73 W N 1.744 123.141 121.300 0.162 0.000 2.355 73 W HA -0.245 4.415 4.660 0.000 0.000 0.309 73 W C 2.104 178.766 176.519 0.239 0.000 1.206 73 W CA 1.301 58.783 57.345 0.228 0.000 1.284 73 W CB -0.337 29.272 29.460 0.248 0.000 1.145 73 W HN 0.151 nan 8.180 nan 0.000 0.502 74 F N -0.242 119.642 119.950 -0.109 0.000 2.095 74 F HA -0.174 4.354 4.527 0.000 0.000 0.298 74 F C 2.116 177.446 175.800 -0.783 0.000 1.104 74 F CA 1.400 59.086 58.000 -0.523 0.000 1.232 74 F CB -1.698 37.141 39.000 -0.268 0.000 0.987 74 F HN -0.075 nan 8.300 nan 0.000 0.475 75 W N -1.302 119.870 121.300 -0.214 0.000 2.358 75 W HA -0.260 4.400 4.660 0.000 0.000 0.303 75 W C 2.635 178.456 176.519 -1.162 0.000 1.208 75 W CA 1.683 58.706 57.345 -0.536 0.000 1.274 75 W CB -1.151 27.993 29.460 -0.527 0.000 1.138 75 W HN 0.098 nan 8.180 nan 0.000 0.515 76 Y N 1.204 120.903 120.300 -1.001 0.000 2.224 76 Y HA -0.275 4.276 4.550 0.000 0.000 0.289 76 Y C 2.255 177.648 175.900 -0.844 0.000 1.146 76 Y CA 2.069 59.537 58.100 -1.052 0.000 1.182 76 Y CB -0.815 37.304 38.460 -0.567 0.000 0.983 76 Y HN 0.046 nan 8.280 nan 0.000 0.524 77 Q N -0.181 118.905 119.800 -1.190 0.000 2.079 77 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 77 Q C 2.296 177.791 176.000 -0.841 0.000 0.974 77 Q CA 1.229 56.361 55.803 -1.118 0.000 0.840 77 Q CB -0.327 27.772 28.738 -1.065 0.000 0.898 77 Q HN 0.597 nan 8.270 nan 0.000 0.430 78 A N 0.217 122.501 122.820 -0.893 0.000 2.239 78 A HA 0.159 4.479 4.320 0.001 0.000 0.209 78 A C 1.381 178.822 177.584 -0.238 0.000 1.171 78 A CA 0.827 52.586 52.037 -0.464 0.000 0.768 78 A CB -0.618 18.170 19.000 -0.353 0.000 0.790 78 A HN 0.482 nan 8.150 nan 0.000 0.478 79 G N -2.541 106.044 108.800 -0.359 0.000 2.221 79 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 79 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 79 G C 0.251 175.244 174.900 0.154 0.000 1.041 79 G CA 0.202 45.237 45.100 -0.110 0.000 0.807 79 G HN 1.065 nan 8.290 nan 0.000 0.502 80 W N -2.185 119.189 121.300 0.124 0.000 4.310 80 W HA -0.212 4.448 4.660 0.000 0.000 0.320 80 W C 0.768 177.455 176.519 0.280 0.000 1.168 80 W CA 0.557 58.059 57.345 0.262 0.000 0.757 80 W CB -1.769 27.754 29.460 0.106 0.000 2.221 80 W HN 0.615 nan 8.180 nan 0.000 1.517 81 N N 1.086 119.994 118.700 0.347 0.000 2.426 81 N HA 0.194 4.934 4.740 0.001 0.000 0.257 81 N C -0.933 174.755 175.510 0.297 0.000 1.002 81 N CA -1.908 51.306 53.050 0.274 0.000 0.942 81 N CB 1.424 40.007 38.487 0.160 0.000 1.112 81 N HN -0.236 nan 8.380 nan 0.000 0.499 82 P HA -0.061 nan 4.420 nan 0.000 0.220 82 P C 0.720 178.143 177.300 0.205 0.000 1.148 82 P CA 0.847 64.131 63.100 0.306 0.000 0.803 82 P CB 0.298 32.170 31.700 0.287 0.000 0.782 83 A N -0.265 122.648 122.820 0.156 0.000 1.854 83 A HA -0.087 4.234 4.320 0.001 0.000 0.214 83 A C 2.406 180.041 177.584 0.085 0.000 1.192 83 A CA 1.498 53.597 52.037 0.103 0.000 0.611 83 A CB -1.540 17.503 19.000 0.073 0.000 0.832 83 A HN 0.018 nan 8.150 nan 0.000 0.442 84 V N -0.982 118.988 119.914 0.093 0.000 2.287 84 V HA -0.264 3.856 4.120 0.001 0.000 0.248 84 V C 2.293 178.472 176.094 0.141 0.000 1.053 84 V CA 2.228 64.578 62.300 0.082 0.000 1.027 84 V CB -0.962 30.909 31.823 0.081 0.000 0.646 84 V HN 0.622 nan 8.190 nan 0.000 0.447 85 F N 0.037 119.966 119.950 -0.035 0.000 2.115 85 F HA -0.266 4.261 4.527 0.000 0.000 0.300 85 F C 1.942 177.714 175.800 -0.048 0.000 1.092 85 F CA 1.890 59.819 58.000 -0.118 0.000 1.245 85 F CB -0.149 38.475 39.000 -0.626 0.000 0.995 85 F HN 0.082 nan 8.300 nan 0.000 0.481 86 L N 0.065 121.340 121.223 0.087 0.000 2.179 86 L HA -0.031 4.310 4.340 0.001 0.000 0.208 86 L C 2.553 179.319 176.870 -0.173 0.000 1.096 86 L CA 1.340 56.153 54.840 -0.045 0.000 0.779 86 L CB -0.916 41.170 42.059 0.046 0.000 0.922 86 L HN 0.063 nan 8.230 nan 0.000 0.443 87 R N -0.306 120.121 120.500 -0.121 0.000 2.075 87 R HA -0.115 4.226 4.340 0.001 0.000 0.232 87 R C 0.385 176.540 176.300 -0.242 0.000 1.126 87 R CA 1.529 57.537 56.100 -0.153 0.000 0.963 87 R CB 0.059 30.295 30.300 -0.106 0.000 0.858 87 R HN 0.267 nan 8.270 nan 0.000 0.435 88 D N 0.421 120.609 120.400 -0.354 0.000 2.463 88 D HA 0.004 4.644 4.640 0.001 0.000 0.224 88 D C 1.066 176.655 176.300 -1.185 0.000 1.174 88 D CA -0.095 53.530 54.000 -0.625 0.000 0.829 88 D CB 0.626 40.981 40.800 -0.742 0.000 0.993 88 D HN 0.117 nan 8.370 nan 0.000 0.497 89 L N -0.056 120.685 121.223 -0.805 0.000 2.131 89 L HA -0.110 4.230 4.340 0.001 0.000 0.210 89 L C 1.272 177.893 176.870 -0.416 0.000 1.092 89 L CA 1.675 56.106 54.840 -0.682 0.000 0.759 89 L CB -0.286 41.439 42.059 -0.557 0.000 0.903 89 L HN -0.036 nan 8.230 nan 0.000 0.435 90 F N -2.017 117.472 119.950 -0.769 0.000 2.743 90 F HA 0.117 4.644 4.527 0.000 0.000 0.297 90 F C 1.799 176.964 175.800 -1.060 0.000 1.131 90 F CA -0.037 57.335 58.000 -1.048 0.000 1.426 90 F CB -0.986 36.941 39.000 -1.789 0.000 1.116 90 F HN 0.040 nan 8.300 nan 0.000 0.583 91 F N -1.341 118.279 119.950 -0.550 0.000 2.387 91 F HA 0.084 4.611 4.527 0.001 0.000 0.294 91 F C 0.962 176.540 175.800 -0.370 0.000 1.093 91 F CA -0.239 57.550 58.000 -0.352 0.000 1.420 91 F CB -0.692 38.075 39.000 -0.388 0.000 1.086 91 F HN -0.340 nan 8.300 nan 0.000 0.531 92 F N 0.582 120.336 119.950 -0.327 0.000 2.586 92 F HA 0.312 4.840 4.527 0.000 0.000 0.344 92 F C 0.751 176.233 175.800 -0.530 0.000 1.188 92 F CA -0.578 57.002 58.000 -0.700 0.000 1.359 92 F CB -0.021 37.995 39.000 -1.641 0.000 1.129 92 F HN -0.317 nan 8.300 nan 0.000 0.609 93 S N 1.468 117.192 115.700 0.039 0.000 2.570 93 S HA 0.457 4.927 4.470 0.001 0.000 0.286 93 S C -1.884 173.089 174.600 0.621 0.000 1.143 93 S CA -0.742 57.685 58.200 0.377 0.000 0.921 93 S CB 0.735 64.110 63.200 0.292 0.000 1.108 93 S HN 0.562 nan 8.310 nan 0.000 0.456 94 L N 5.205 126.807 121.223 0.632 0.000 2.270 94 L HA 0.582 4.922 4.340 0.001 0.000 0.286 94 L C -0.233 176.838 176.870 0.334 0.000 1.059 94 L CA 0.187 55.233 54.840 0.343 0.000 0.839 94 L CB 0.576 42.844 42.059 0.349 0.000 1.221 94 L HN 0.620 nan 8.230 nan 0.000 0.431 95 E N 6.168 126.455 120.200 0.144 0.000 2.277 95 E HA 0.426 4.776 4.350 0.001 0.000 0.274 95 E C -2.390 174.043 176.600 -0.278 0.000 1.022 95 E CA -1.886 54.511 56.400 -0.005 0.000 0.853 95 E CB 0.618 30.338 29.700 0.033 0.000 1.086 95 E HN 0.413 nan 8.360 nan 0.000 0.397 96 P HA 0.132 nan 4.420 nan 0.000 0.274 96 P C -2.473 174.548 177.300 -0.466 0.000 1.260 96 P CA -1.231 61.175 63.100 -1.157 0.000 0.793 96 P CB -0.756 30.155 31.700 -1.314 0.000 1.048 97 P HA 0.090 nan 4.420 nan 0.000 0.269 97 P C -0.324 176.974 177.300 -0.002 0.000 1.215 97 P CA 0.019 63.036 63.100 -0.138 0.000 0.780 97 P CB 0.054 31.701 31.700 -0.089 0.000 0.898 98 A N 4.333 127.238 122.820 0.141 0.000 2.507 98 A HA 0.192 4.512 4.320 0.001 0.000 0.235 98 A C -1.131 176.544 177.584 0.151 0.000 1.070 98 A CA -0.637 51.498 52.037 0.163 0.000 0.768 98 A CB -1.202 17.936 19.000 0.230 0.000 1.011 98 A HN 0.430 nan 8.150 nan 0.000 0.502 99 P HA -0.123 nan 4.420 nan 0.000 0.221 99 P C 0.796 178.092 177.300 -0.006 0.000 1.145 99 P CA 1.221 64.330 63.100 0.015 0.000 0.795 99 P CB 0.174 31.868 31.700 -0.009 0.000 0.775 100 E N -0.779 119.404 120.200 -0.029 0.000 2.058 100 E HA -0.195 4.156 4.350 0.001 0.000 0.194 100 E C 1.710 178.174 176.600 -0.226 0.000 0.997 100 E CA 1.426 57.722 56.400 -0.173 0.000 0.801 100 E CB -1.048 28.454 29.700 -0.331 0.000 0.746 100 E HN 0.412 nan 8.360 nan 0.000 0.450 101 Y N -0.227 120.074 120.300 0.001 0.000 2.509 101 Y HA 0.066 4.617 4.550 0.001 0.000 0.293 101 Y C 1.747 177.646 175.900 -0.003 0.000 1.133 101 Y CA 0.521 58.632 58.100 0.020 0.000 1.283 101 Y CB -0.378 38.112 38.460 0.050 0.000 1.001 101 Y HN 0.148 nan 8.280 nan 0.000 0.555 102 G N 0.883 109.722 108.800 0.066 0.000 2.611 102 G HA2 -0.357 3.603 3.960 0.001 0.000 0.301 102 G HA3 -0.357 3.603 3.960 0.001 0.000 0.301 102 G C 0.432 175.220 174.900 -0.187 0.000 1.233 102 G CA 0.437 45.495 45.100 -0.069 0.000 0.993 102 G HN 0.255 nan 8.290 nan 0.000 0.553 103 L N 1.500 122.540 121.223 -0.305 0.000 2.737 103 L HA 0.384 4.725 4.340 0.001 0.000 0.236 103 L C 1.444 178.326 176.870 0.019 0.000 1.219 103 L CA 0.350 54.823 54.840 -0.612 0.000 1.021 103 L CB 0.090 41.814 42.059 -0.558 0.000 1.291 103 L HN 0.431 nan 8.230 nan 0.000 0.470 104 S N -0.547 115.253 115.700 0.167 0.000 2.565 104 S HA 0.225 4.696 4.470 0.001 0.000 0.276 104 S C 0.382 175.126 174.600 0.239 0.000 1.326 104 S CA -0.334 58.026 58.200 0.266 0.000 1.045 104 S CB 0.486 63.856 63.200 0.284 0.000 0.918 104 S HN 0.252 nan 8.310 nan 0.000 0.505 105 F N 2.723 122.814 119.950 0.234 0.000 2.639 105 F HA 0.394 4.921 4.527 0.000 0.000 0.300 105 F C 1.486 177.316 175.800 0.050 0.000 1.109 105 F CA -0.061 58.009 58.000 0.116 0.000 1.335 105 F CB 0.217 39.264 39.000 0.078 0.000 1.014 105 F HN 0.712 nan 8.300 nan 0.000 0.537 106 A N -0.229 122.716 122.820 0.208 0.000 2.470 106 A HA 0.646 4.966 4.320 0.001 0.000 0.251 106 A C 1.164 178.764 177.584 0.026 0.000 1.245 106 A CA 0.042 52.164 52.037 0.141 0.000 0.932 106 A CB -0.485 18.627 19.000 0.187 0.000 1.037 106 A HN 0.097 nan 8.150 nan 0.000 0.522 107 A N 1.815 124.524 122.820 -0.186 0.000 2.540 107 A HA 0.485 4.805 4.320 0.001 0.000 0.239 107 A C -2.103 175.282 177.584 -0.332 0.000 1.061 107 A CA -0.670 50.934 52.037 -0.721 0.000 0.758 107 A CB -0.399 18.113 19.000 -0.813 0.000 0.991 107 A HN 0.293 nan 8.150 nan 0.000 0.502 108 P HA 0.084 nan 4.420 nan 0.000 0.270 108 P C 0.903 178.144 177.300 -0.099 0.000 1.223 108 P CA -0.254 62.791 63.100 -0.091 0.000 0.785 108 P CB 0.410 32.101 31.700 -0.015 0.000 0.923 109 L N 0.813 122.010 121.223 -0.043 0.000 2.027 109 L HA -0.143 4.197 4.340 0.001 0.000 0.206 109 L C 2.098 178.929 176.870 -0.065 0.000 1.074 109 L CA 1.809 56.620 54.840 -0.048 0.000 0.745 109 L CB -0.673 41.382 42.059 -0.006 0.000 0.898 109 L HN 0.412 nan 8.230 nan 0.000 0.433 110 K N -0.311 120.104 120.400 0.025 0.000 2.504 110 K HA -0.075 4.245 4.320 0.001 0.000 0.195 110 K C 1.153 177.791 176.600 0.062 0.000 1.036 110 K CA 0.549 56.917 56.287 0.135 0.000 0.984 110 K CB 0.139 32.804 32.500 0.275 0.000 0.788 110 K HN 0.285 nan 8.250 nan 0.000 0.488 111 E N -0.632 119.553 120.200 -0.025 0.000 2.558 111 E HA 0.074 4.425 4.350 0.001 0.000 0.205 111 E C 0.450 176.956 176.600 -0.155 0.000 1.006 111 E CA -0.066 56.310 56.400 -0.040 0.000 0.961 111 E CB 1.102 30.801 29.700 -0.000 0.000 1.044 111 E HN 0.443 nan 8.360 nan 0.000 0.465 112 G N -0.341 108.350 108.800 -0.183 0.000 2.977 112 G HA2 -0.186 3.774 3.960 0.001 0.000 0.211 112 G HA3 -0.186 3.774 3.960 0.001 0.000 0.211 112 G C 1.069 175.910 174.900 -0.098 0.000 0.994 112 G CA -0.102 44.896 45.100 -0.170 0.000 0.795 112 G HN 0.341 nan 8.290 nan 0.000 0.518 113 G N 0.933 109.655 108.800 -0.129 0.000 2.408 113 G HA2 0.096 4.057 3.960 0.001 0.000 0.217 113 G HA3 0.096 4.057 3.960 0.001 0.000 0.217 113 G C 1.710 176.586 174.900 -0.040 0.000 1.150 113 G CA 1.529 46.583 45.100 -0.077 0.000 0.776 113 G HN 0.644 nan 8.290 nan 0.000 0.542 114 L N -0.509 120.668 121.223 -0.076 0.000 2.131 114 L HA 0.089 4.429 4.340 0.001 0.000 0.210 114 L C 2.327 179.190 176.870 -0.011 0.000 1.092 114 L CA 1.260 56.056 54.840 -0.073 0.000 0.759 114 L CB -0.636 41.315 42.059 -0.180 0.000 0.903 114 L HN 0.500 nan 8.230 nan 0.000 0.435 115 W N -0.450 120.759 121.300 -0.151 0.000 2.388 115 W HA -0.183 4.477 4.660 0.001 0.000 0.294 115 W C 2.154 178.686 176.519 0.021 0.000 1.212 115 W CA 1.544 58.887 57.345 -0.005 0.000 1.271 115 W CB -0.061 29.365 29.460 -0.056 0.000 1.126 115 W HN 0.083 nan 8.180 nan 0.000 0.535 116 L N 0.154 121.485 121.223 0.180 0.000 2.093 116 L HA -0.223 4.117 4.340 0.001 0.000 0.208 116 L C 2.355 179.155 176.870 -0.117 0.000 1.085 116 L CA 1.323 56.137 54.840 -0.043 0.000 0.755 116 L CB -0.830 41.199 42.059 -0.050 0.000 0.904 116 L HN 0.037 nan 8.230 nan 0.000 0.435 117 I N -0.041 120.461 120.570 -0.112 0.000 2.142 117 I HA -0.291 3.880 4.170 0.001 0.000 0.240 117 I C 2.860 178.837 176.117 -0.234 0.000 1.078 117 I CA 1.256 62.421 61.300 -0.225 0.000 1.343 117 I CB -0.531 37.349 38.000 -0.201 0.000 1.046 117 I HN 0.188 nan 8.210 nan 0.000 0.405 118 A N 0.563 123.322 122.820 -0.101 0.000 1.883 118 A HA -0.232 4.089 4.320 0.001 0.000 0.217 118 A C 2.501 180.163 177.584 0.130 0.000 1.186 118 A CA 2.507 54.573 52.037 0.047 0.000 0.624 118 A CB -0.914 17.945 19.000 -0.236 0.000 0.822 118 A HN 0.448 nan 8.150 nan 0.000 0.444 119 S N -0.786 114.820 115.700 -0.156 0.000 2.356 119 S HA -0.174 4.296 4.470 0.001 0.000 0.223 119 S C 1.700 176.296 174.600 -0.006 0.000 1.032 119 S CA 1.451 59.551 58.200 -0.166 0.000 1.005 119 S CB -0.681 62.154 63.200 -0.609 0.000 0.867 119 S HN 0.632 nan 8.310 nan 0.000 0.449 120 F N 1.951 121.824 119.950 -0.127 0.000 2.120 120 F HA -0.169 4.358 4.527 0.001 0.000 0.300 120 F C 1.775 177.670 175.800 0.159 0.000 1.095 120 F CA 1.218 59.191 58.000 -0.046 0.000 1.249 120 F CB -0.396 38.497 39.000 -0.179 0.000 0.995 120 F HN 0.069 nan 8.300 nan 0.000 0.480 121 F N -0.022 119.941 119.950 0.022 0.000 2.146 121 F HA -0.185 4.343 4.527 0.001 0.000 0.298 121 F C 2.612 178.336 175.800 -0.127 0.000 1.096 121 F CA 1.507 59.487 58.000 -0.034 0.000 1.275 121 F CB -1.242 37.833 39.000 0.125 0.000 1.008 121 F HN 0.066 nan 8.300 nan 0.000 0.480 122 M N -1.414 118.187 119.600 0.003 0.000 2.117 122 M HA -0.244 4.236 4.480 0.001 0.000 0.262 122 M C 2.317 178.599 176.300 -0.030 0.000 1.065 122 M CA 1.595 56.696 55.300 -0.332 0.000 1.114 122 M CB -0.455 31.728 32.600 -0.694 0.000 1.361 122 M HN 0.139 nan 8.290 nan 0.000 0.408 123 F N 0.248 120.194 119.950 -0.007 0.000 2.043 123 F HA -0.261 4.267 4.527 0.001 0.000 0.297 123 F C 1.901 177.788 175.800 0.146 0.000 1.121 123 F CA 2.081 60.186 58.000 0.175 0.000 1.199 123 F CB -0.538 38.455 39.000 -0.011 0.000 0.968 123 F HN -0.104 nan 8.300 nan 0.000 0.478 124 V N 0.405 120.409 119.914 0.150 0.000 2.427 124 V HA -0.283 3.837 4.120 0.001 0.000 0.248 124 V C 2.667 178.799 176.094 0.063 0.000 1.051 124 V CA 1.561 63.918 62.300 0.095 0.000 1.048 124 V CB -1.564 30.254 31.823 -0.009 0.000 0.666 124 V HN 0.519 nan 8.190 nan 0.000 0.456 125 A N 0.019 122.835 122.820 -0.008 0.000 1.865 125 A HA -0.186 4.134 4.320 0.001 0.000 0.217 125 A C 2.409 179.953 177.584 -0.067 0.000 1.191 125 A CA 2.374 54.383 52.037 -0.046 0.000 0.623 125 A CB -0.793 18.113 19.000 -0.157 0.000 0.826 125 A HN 0.326 nan 8.150 nan 0.000 0.444 126 V N -2.422 117.337 119.914 -0.259 0.000 2.307 126 V HA -0.267 3.853 4.120 0.001 0.000 0.245 126 V C 2.272 178.212 176.094 -0.256 0.000 1.045 126 V CA 1.773 63.803 62.300 -0.451 0.000 1.024 126 V CB -0.998 30.123 31.823 -1.170 0.000 0.651 126 V HN 0.780 nan 8.190 nan 0.000 0.449 127 W N 0.843 122.042 121.300 -0.168 0.000 2.381 127 W HA -0.184 4.477 4.660 0.001 0.000 0.301 127 W C 2.957 179.548 176.519 0.120 0.000 1.205 127 W CA 1.529 58.840 57.345 -0.057 0.000 1.285 127 W CB -0.409 28.899 29.460 -0.253 0.000 1.133 127 W HN 0.351 nan 8.180 nan 0.000 0.521 128 S N -0.734 115.142 115.700 0.293 0.000 2.368 128 S HA -0.275 4.195 4.470 0.001 0.000 0.225 128 S C 1.661 176.358 174.600 0.161 0.000 1.030 128 S CA 1.055 59.378 58.200 0.205 0.000 0.999 128 S CB -1.393 61.903 63.200 0.160 0.000 0.844 128 S HN 0.494 nan 8.310 nan 0.000 0.459 129 W N 0.779 122.105 121.300 0.044 0.000 2.392 129 W HA -0.082 4.578 4.660 0.000 0.000 0.279 129 W C 1.835 178.382 176.519 0.047 0.000 1.225 129 W CA 0.938 58.277 57.345 -0.010 0.000 1.233 129 W CB -0.413 29.012 29.460 -0.059 0.000 1.122 129 W HN 0.501 nan 8.180 nan 0.000 0.561 130 W N 1.445 122.909 121.300 0.272 0.000 2.378 130 W HA -0.037 4.623 4.660 0.001 0.000 0.313 130 W C 2.535 179.098 176.519 0.074 0.000 1.197 130 W CA 3.299 60.833 57.345 0.314 0.000 1.304 130 W CB -0.992 28.573 29.460 0.176 0.000 1.148 130 W HN -0.125 nan 8.180 nan 0.000 0.494 131 G N 0.265 108.996 108.800 -0.115 0.000 2.450 131 G HA2 -0.328 3.632 3.960 0.001 0.000 0.220 131 G HA3 -0.328 3.632 3.960 0.001 0.000 0.220 131 G C 1.560 176.212 174.900 -0.413 0.000 1.130 131 G CA 1.101 45.992 45.100 -0.348 0.000 0.760 131 G HN 0.325 nan 8.290 nan 0.000 0.557 132 R N 0.485 120.734 120.500 -0.420 0.000 2.073 132 R HA -0.101 4.239 4.340 0.001 0.000 0.234 132 R C 2.943 178.876 176.300 -0.611 0.000 1.134 132 R CA 2.211 57.985 56.100 -0.543 0.000 0.952 132 R CB -0.699 29.145 30.300 -0.760 0.000 0.850 132 R HN 0.415 nan 8.270 nan 0.000 0.433 133 T N -1.833 112.308 114.554 -0.688 0.000 2.803 133 T HA -0.229 4.121 4.350 0.001 0.000 0.269 133 T C 1.801 176.187 174.700 -0.523 0.000 1.052 133 T CA 1.347 63.091 62.100 -0.594 0.000 1.136 133 T CB -0.602 67.935 68.868 -0.552 0.000 0.864 133 T HN 0.402 nan 8.240 nan 0.000 0.467 134 Y N 1.919 121.774 120.300 -0.742 0.000 2.153 134 Y HA 0.166 4.717 4.550 0.001 0.000 0.289 134 Y C 2.227 177.857 175.900 -0.451 0.000 1.127 134 Y CA 0.930 58.634 58.100 -0.660 0.000 1.131 134 Y CB -0.479 37.460 38.460 -0.868 0.000 0.995 134 Y HN 0.132 nan 8.280 nan 0.000 0.505 135 L N -0.449 120.706 121.223 -0.114 0.000 2.012 135 L HA -0.256 4.084 4.340 0.001 0.000 0.210 135 L C 2.521 179.226 176.870 -0.275 0.000 1.073 135 L CA 1.426 56.185 54.840 -0.135 0.000 0.748 135 L CB -0.531 41.412 42.059 -0.192 0.000 0.891 135 L HN 0.067 nan 8.230 nan 0.000 0.431 136 R N 0.150 120.426 120.500 -0.374 0.000 2.139 136 R HA -0.142 4.198 4.340 0.001 0.000 0.243 136 R C 2.242 178.352 176.300 -0.316 0.000 1.145 136 R CA 1.530 57.389 56.100 -0.401 0.000 0.976 136 R CB -0.896 29.153 30.300 -0.420 0.000 0.866 136 R HN 0.419 nan 8.270 nan 0.000 0.449 137 A N -0.328 122.294 122.820 -0.330 0.000 1.898 137 A HA -0.136 4.185 4.320 0.001 0.000 0.214 137 A C 2.069 179.495 177.584 -0.264 0.000 1.183 137 A CA 1.149 53.005 52.037 -0.302 0.000 0.622 137 A CB -0.434 18.340 19.000 -0.377 0.000 0.824 137 A HN 0.404 nan 8.150 nan 0.000 0.444 138 Q N -0.270 119.361 119.800 -0.282 0.000 2.096 138 Q HA -0.145 4.195 4.340 0.001 0.000 0.204 138 Q C 1.968 177.890 176.000 -0.130 0.000 0.982 138 Q CA 1.615 57.309 55.803 -0.183 0.000 0.850 138 Q CB -0.331 28.354 28.738 -0.088 0.000 0.901 138 Q HN 0.581 nan 8.270 nan 0.000 0.422 139 A N -0.176 122.554 122.820 -0.150 0.000 2.248 139 A HA -0.001 4.319 4.320 0.001 0.000 0.210 139 A C 1.465 178.982 177.584 -0.110 0.000 1.174 139 A CA 0.635 52.596 52.037 -0.125 0.000 0.750 139 A CB -0.064 18.835 19.000 -0.168 0.000 0.780 139 A HN 0.447 nan 8.150 nan 0.000 0.478 140 L N -2.405 118.744 121.223 -0.124 0.000 2.858 140 L HA 0.302 4.642 4.340 0.001 0.000 0.251 140 L C 1.457 178.274 176.870 -0.089 0.000 1.149 140 L CA 0.486 55.264 54.840 -0.102 0.000 0.955 140 L CB 0.442 42.431 42.059 -0.117 0.000 1.289 140 L HN 0.468 nan 8.230 nan 0.000 0.542 141 G N 0.768 109.512 108.800 -0.093 0.000 2.136 141 G HA2 -0.285 3.675 3.960 0.001 0.000 0.242 141 G HA3 -0.285 3.675 3.960 0.001 0.000 0.242 141 G C 0.208 175.061 174.900 -0.079 0.000 0.989 141 G CA 0.131 45.187 45.100 -0.074 0.000 0.682 141 G HN 0.220 nan 8.290 nan 0.000 0.522 142 M N 0.566 120.101 119.600 -0.107 0.000 2.291 142 M HA 0.520 5.000 4.480 0.001 0.000 0.324 142 M C 1.435 177.683 176.300 -0.086 0.000 1.148 142 M CA 0.114 55.352 55.300 -0.103 0.000 1.104 142 M CB 0.675 33.195 32.600 -0.132 0.000 1.483 142 M HN 0.236 nan 8.290 nan 0.000 0.467 143 G N 0.714 109.506 108.800 -0.013 0.000 2.690 143 G HA2 0.077 4.037 3.960 0.001 0.000 0.239 143 G HA3 0.077 4.037 3.960 0.001 0.000 0.239 143 G C -0.046 174.911 174.900 0.095 0.000 1.233 143 G CA -0.360 44.828 45.100 0.147 0.000 0.847 143 G HN 0.697 nan 8.290 nan 0.000 0.588 144 K N -0.250 120.185 120.400 0.059 0.000 2.570 144 K HA 0.222 4.542 4.320 0.001 0.000 0.210 144 K C 1.312 177.891 176.600 -0.035 0.000 1.048 144 K CA -0.179 55.999 56.287 -0.182 0.000 1.167 144 K CB 0.101 32.381 32.500 -0.366 0.000 0.892 144 K HN 0.612 nan 8.250 nan 0.000 0.480 145 H N -0.778 118.290 119.070 -0.002 0.000 2.265 145 H HA -0.166 4.390 4.556 0.001 0.000 0.295 145 H C 1.690 177.017 175.328 -0.001 0.000 1.084 145 H CA 2.240 58.313 56.048 0.041 0.000 1.261 145 H CB -0.464 29.277 29.762 -0.035 0.000 1.360 145 H HN 0.087 nan 8.280 nan 0.000 0.487 146 T N 0.430 115.025 114.554 0.070 0.000 2.624 146 T HA -0.263 4.088 4.350 0.001 0.000 0.268 146 T C 2.340 177.039 174.700 -0.002 0.000 1.041 146 T CA 1.736 63.829 62.100 -0.011 0.000 1.159 146 T CB -0.712 68.093 68.868 -0.106 0.000 0.863 146 T HN 0.544 nan 8.240 nan 0.000 0.434 147 A N 0.273 123.001 122.820 -0.155 0.000 1.908 147 A HA -0.120 4.200 4.320 0.001 0.000 0.218 147 A C 2.133 179.847 177.584 0.216 0.000 1.181 147 A CA 1.616 53.566 52.037 -0.145 0.000 0.627 147 A CB -1.171 17.471 19.000 -0.597 0.000 0.818 147 A HN 0.750 nan 8.150 nan 0.000 0.445 148 W N -0.523 120.953 121.300 0.295 0.000 2.381 148 W HA 0.036 4.696 4.660 0.000 0.000 0.301 148 W C 2.787 179.368 176.519 0.103 0.000 1.205 148 W CA 0.717 58.173 57.345 0.185 0.000 1.285 148 W CB -0.171 29.291 29.460 0.003 0.000 1.133 148 W HN 0.381 nan 8.180 nan 0.000 0.521 149 A N 0.173 123.146 122.820 0.255 0.000 1.908 149 A HA -0.259 4.061 4.320 0.001 0.000 0.218 149 A C 1.788 179.522 177.584 0.251 0.000 1.181 149 A CA 1.521 53.648 52.037 0.150 0.000 0.627 149 A CB -1.224 17.832 19.000 0.093 0.000 0.818 149 A HN 0.338 nan 8.150 nan 0.000 0.445 150 F N 0.121 120.149 119.950 0.130 0.000 2.216 150 F HA -0.103 4.424 4.527 0.001 0.000 0.300 150 F C 1.763 177.641 175.800 0.129 0.000 1.085 150 F CA 1.151 59.237 58.000 0.143 0.000 1.326 150 F CB -0.544 38.592 39.000 0.227 0.000 1.027 150 F HN 0.199 nan 8.300 nan 0.000 0.497 151 L N -0.584 120.728 121.223 0.147 0.000 2.131 151 L HA -0.149 4.191 4.340 0.001 0.000 0.210 151 L C 2.551 179.401 176.870 -0.033 0.000 1.092 151 L CA 1.755 56.528 54.840 -0.113 0.000 0.759 151 L CB -1.225 40.887 42.059 0.089 0.000 0.903 151 L HN 0.117 nan 8.230 nan 0.000 0.435 152 S N -0.899 114.845 115.700 0.074 0.000 2.348 152 S HA -0.183 4.287 4.470 0.001 0.000 0.221 152 S C 2.117 176.821 174.600 0.173 0.000 1.033 152 S CA 1.216 59.496 58.200 0.134 0.000 1.010 152 S CB -0.450 62.821 63.200 0.118 0.000 0.891 152 S HN 0.675 nan 8.310 nan 0.000 0.442 153 A N 1.460 124.335 122.820 0.092 0.000 1.859 153 A HA -0.148 4.172 4.320 0.001 0.000 0.217 153 A C 2.069 179.645 177.584 -0.012 0.000 1.198 153 A CA 1.862 53.933 52.037 0.057 0.000 0.629 153 A CB -1.053 17.990 19.000 0.071 0.000 0.830 153 A HN 0.560 nan 8.150 nan 0.000 0.446 154 I N -1.394 119.031 120.570 -0.241 0.000 2.236 154 I HA -0.335 3.836 4.170 0.001 0.000 0.249 154 I C 2.447 178.649 176.117 0.142 0.000 1.102 154 I CA 1.740 62.884 61.300 -0.260 0.000 1.365 154 I CB -0.286 37.281 38.000 -0.722 0.000 1.051 154 I HN 0.771 nan 8.210 nan 0.000 0.420 155 W N 1.313 122.588 121.300 -0.042 0.000 2.315 155 W HA -0.329 4.331 4.660 0.000 0.000 0.323 155 W C 2.370 178.929 176.519 0.068 0.000 1.233 155 W CA 1.262 58.625 57.345 0.030 0.000 1.267 155 W CB -0.358 29.114 29.460 0.020 0.000 1.160 155 W HN 0.146 nan 8.180 nan 0.000 0.474 156 L N 0.971 122.162 121.223 -0.054 0.000 2.079 156 L HA -0.175 4.165 4.340 0.001 0.000 0.210 156 L C 2.221 179.044 176.870 -0.079 0.000 1.081 156 L CA 2.676 57.402 54.840 -0.190 0.000 0.752 156 L CB -1.577 40.475 42.059 -0.011 0.000 0.896 156 L HN 0.312 nan 8.230 nan 0.000 0.433 157 W N -0.665 120.543 121.300 -0.153 0.000 2.409 157 W HA -0.183 4.478 4.660 0.001 0.000 0.299 157 W C 2.222 178.697 176.519 -0.073 0.000 1.203 157 W CA 1.226 58.495 57.345 -0.126 0.000 1.298 157 W CB -0.220 29.133 29.460 -0.178 0.000 1.127 157 W HN 0.057 nan 8.180 nan 0.000 0.528 158 M N 0.553 120.037 119.600 -0.193 0.000 2.082 158 M HA -0.199 4.281 4.480 0.001 0.000 0.258 158 M C 1.927 178.134 176.300 -0.154 0.000 1.069 158 M CA 1.555 56.690 55.300 -0.275 0.000 1.102 158 M CB -1.649 31.003 32.600 0.088 0.000 1.336 158 M HN 0.017 nan 8.290 nan 0.000 0.404 159 V N 0.000 119.762 119.914 -0.254 0.000 2.358 159 V HA -0.238 3.882 4.120 0.001 0.000 0.246 159 V C 2.500 178.508 176.094 -0.145 0.000 1.047 159 V CA 1.215 63.344 62.300 -0.285 0.000 1.035 159 V CB -0.547 30.920 31.823 -0.593 0.000 0.658 159 V HN 0.385 nan 8.190 nan 0.000 0.452 160 L N 0.228 121.360 121.223 -0.150 0.000 1.994 160 L HA -0.065 4.275 4.340 0.001 0.000 0.208 160 L C 2.210 179.060 176.870 -0.033 0.000 1.071 160 L CA 1.930 56.721 54.840 -0.082 0.000 0.745 160 L CB -0.684 41.305 42.059 -0.116 0.000 0.892 160 L HN 0.487 nan 8.230 nan 0.000 0.431 161 G N -3.122 105.633 108.800 -0.075 0.000 3.277 161 G HA2 0.019 3.979 3.960 0.001 0.000 0.243 161 G HA3 0.019 3.979 3.960 0.001 0.000 0.243 161 G C 0.617 175.676 174.900 0.264 0.000 1.107 161 G CA -0.137 45.008 45.100 0.074 0.000 0.771 161 G HN 0.227 nan 8.290 nan 0.000 0.544 162 F N -0.258 119.699 119.950 0.011 0.000 1.964 162 F HA 0.369 4.896 4.527 0.001 0.000 0.248 162 F C 2.000 177.871 175.800 0.118 0.000 1.051 162 F CA 0.035 58.118 58.000 0.139 0.000 1.221 162 F CB -0.046 38.982 39.000 0.046 0.000 1.497 162 F HN -0.027 nan 8.300 nan 0.000 0.653 163 I N 0.757 121.396 120.570 0.114 0.000 2.252 163 I HA -0.197 3.973 4.170 0.001 0.000 0.245 163 I C 2.547 178.625 176.117 -0.065 0.000 1.102 163 I CA 1.379 62.680 61.300 0.001 0.000 1.385 163 I CB -0.485 37.572 38.000 0.095 0.000 1.064 163 I HN 0.163 nan 8.210 nan 0.000 0.414 164 R N 0.987 121.472 120.500 -0.026 0.000 2.057 164 R HA -0.088 4.253 4.340 0.001 0.000 0.229 164 R C -0.418 175.868 176.300 -0.023 0.000 1.136 164 R CA 1.390 57.492 56.100 0.003 0.000 0.952 164 R CB -1.101 29.241 30.300 0.070 0.000 0.848 164 R HN 0.204 nan 8.270 nan 0.000 0.430 165 P HA -0.171 nan 4.420 nan 0.000 0.216 165 P C 1.247 178.351 177.300 -0.326 0.000 1.150 165 P CA 1.440 64.489 63.100 -0.085 0.000 0.843 165 P CB -0.085 31.670 31.700 0.092 0.000 0.787 166 I N -1.406 118.923 120.570 -0.401 0.000 2.353 166 I HA -0.151 4.019 4.170 0.001 0.000 0.248 166 I C 2.255 178.201 176.117 -0.286 0.000 1.119 166 I CA 1.044 62.049 61.300 -0.492 0.000 1.417 166 I CB -0.395 37.288 38.000 -0.528 0.000 1.078 166 I HN -0.161 nan 8.210 nan 0.000 0.421 167 L N -0.342 120.774 121.223 -0.179 0.000 2.478 167 L HA -0.089 4.252 4.340 0.001 0.000 0.223 167 L C 2.134 178.950 176.870 -0.089 0.000 1.140 167 L CA 0.434 55.212 54.840 -0.102 0.000 0.842 167 L CB -0.202 41.829 42.059 -0.046 0.000 0.953 167 L HN 0.303 nan 8.230 nan 0.000 0.452 168 M N -1.267 118.269 119.600 -0.106 0.000 2.516 168 M HA 0.207 4.688 4.480 0.001 0.000 0.259 168 M C 1.590 177.819 176.300 -0.119 0.000 1.146 168 M CA 0.956 56.208 55.300 -0.080 0.000 1.122 168 M CB -0.070 32.505 32.600 -0.041 0.000 1.341 168 M HN 0.330 nan 8.290 nan 0.000 0.478 169 G N 1.351 110.038 108.800 -0.189 0.000 2.179 169 G HA2 -0.183 3.778 3.960 0.001 0.000 0.220 169 G HA3 -0.183 3.778 3.960 0.001 0.000 0.220 169 G C 0.107 174.836 174.900 -0.284 0.000 0.990 169 G CA 0.374 45.344 45.100 -0.217 0.000 0.646 169 G HN 0.654 nan 8.290 nan 0.000 0.517 170 S N -2.035 113.471 115.700 -0.323 0.000 2.543 170 S HA 0.501 4.972 4.470 0.001 0.000 0.274 170 S C 0.296 174.713 174.600 -0.304 0.000 1.149 170 S CA -0.113 57.882 58.200 -0.341 0.000 0.866 170 S CB 0.475 63.584 63.200 -0.152 0.000 1.111 170 S HN 0.430 nan 8.310 nan 0.000 0.457 171 W N 1.643 122.855 121.300 -0.147 0.000 2.465 171 W HA -0.039 4.621 4.660 0.000 0.000 0.268 171 W C 2.624 178.953 176.519 -0.317 0.000 1.242 171 W CA 0.772 57.976 57.345 -0.236 0.000 1.248 171 W CB -0.137 29.139 29.460 -0.308 0.000 1.118 171 W HN 0.933 nan 8.180 nan 0.000 0.587 172 S N -0.092 115.594 115.700 -0.023 0.000 2.469 172 S HA -0.177 4.293 4.470 0.001 0.000 0.238 172 S C 1.370 175.979 174.600 0.016 0.000 0.998 172 S CA 1.106 59.270 58.200 -0.060 0.000 0.957 172 S CB -0.279 62.914 63.200 -0.012 0.000 0.764 172 S HN 0.254 nan 8.310 nan 0.000 0.514 173 E N 1.388 121.625 120.200 0.062 0.000 2.502 173 E HA 0.340 4.691 4.350 0.001 0.000 0.194 173 E C 0.958 177.749 176.600 0.318 0.000 1.062 173 E CA 0.361 56.880 56.400 0.198 0.000 0.867 173 E CB 0.038 29.829 29.700 0.151 0.000 0.888 173 E HN 0.723 nan 8.360 nan 0.000 0.510 174 A N 0.643 123.544 122.820 0.135 0.000 2.249 174 A HA 0.357 4.678 4.320 0.001 0.000 0.281 174 A C 0.281 177.766 177.584 -0.164 0.000 1.127 174 A CA -0.466 51.618 52.037 0.077 0.000 0.833 174 A CB 0.687 19.767 19.000 0.133 0.000 1.140 174 A HN -0.030 nan 8.150 nan 0.000 0.502 175 V N 2.247 121.921 119.914 -0.400 0.000 2.498 175 V HA 0.321 4.441 4.120 0.001 0.000 0.279 175 V C -2.071 173.817 176.094 -0.344 0.000 1.048 175 V CA -1.150 60.658 62.300 -0.820 0.000 0.967 175 V CB 0.892 32.187 31.823 -0.881 0.000 0.988 175 V HN 0.768 nan 8.190 nan 0.000 0.473 176 P HA 0.237 nan 4.420 nan 0.000 0.275 176 P C -1.231 176.041 177.300 -0.047 0.000 1.228 176 P CA -0.363 62.710 63.100 -0.044 0.000 0.786 176 P CB 0.318 32.070 31.700 0.085 0.000 0.927 177 Y N 1.103 121.603 120.300 0.333 0.000 2.486 177 Y HA 0.561 5.111 4.550 0.000 0.000 0.348 177 Y C 1.442 177.522 175.900 0.299 0.000 1.000 177 Y CA 0.682 58.920 58.100 0.229 0.000 1.253 177 Y CB 0.222 38.759 38.460 0.128 0.000 1.140 177 Y HN 0.593 nan 8.280 nan 0.000 0.526 178 G N 2.376 111.388 108.800 0.354 0.000 2.404 178 G HA2 0.243 4.203 3.960 0.001 0.000 0.298 178 G HA3 0.243 4.203 3.960 0.001 0.000 0.298 178 G C -0.261 174.758 174.900 0.199 0.000 1.577 178 G CA -0.827 44.492 45.100 0.365 0.000 0.847 178 G HN 0.293 nan 8.290 nan 0.000 0.598 179 I N 0.610 121.235 120.570 0.093 0.000 2.141 179 I HA 0.057 4.227 4.170 0.001 0.000 0.236 179 I C 2.459 178.723 176.117 0.246 0.000 1.071 179 I CA 1.235 62.521 61.300 -0.023 0.000 1.345 179 I CB -0.860 36.831 38.000 -0.515 0.000 1.066 179 I HN 0.459 nan 8.210 nan 0.000 0.406 180 F N 1.678 121.614 119.950 -0.023 0.000 2.293 180 F HA -0.086 4.441 4.527 0.000 0.000 0.297 180 F C 2.968 178.807 175.800 0.066 0.000 1.089 180 F CA 1.029 59.004 58.000 -0.042 0.000 1.377 180 F CB -1.391 37.491 39.000 -0.196 0.000 1.051 180 F HN 0.174 nan 8.300 nan 0.000 0.511 181 S N -0.055 115.837 115.700 0.319 0.000 2.383 181 S HA -0.228 4.242 4.470 0.001 0.000 0.227 181 S C 2.122 176.909 174.600 0.312 0.000 1.026 181 S CA 1.521 59.889 58.200 0.280 0.000 0.981 181 S CB -1.095 62.259 63.200 0.258 0.000 0.818 181 S HN 0.622 nan 8.310 nan 0.000 0.472 182 H N 1.846 121.024 119.070 0.180 0.000 2.470 182 H HA 0.204 4.760 4.556 0.000 0.000 0.289 182 H C 1.973 177.441 175.328 0.234 0.000 1.033 182 H CA 0.946 57.090 56.048 0.160 0.000 1.331 182 H CB -0.633 29.173 29.762 0.073 0.000 1.414 182 H HN 0.415 nan 8.280 nan 0.000 0.545 183 L N 0.705 121.852 121.223 -0.126 0.000 2.017 183 L HA -0.169 4.171 4.340 0.001 0.000 0.208 183 L C 2.284 179.175 176.870 0.036 0.000 1.073 183 L CA 1.655 56.422 54.840 -0.123 0.000 0.745 183 L CB -0.399 41.637 42.059 -0.039 0.000 0.894 183 L HN 0.185 nan 8.230 nan 0.000 0.432 184 D N -0.780 119.683 120.400 0.106 0.000 2.097 184 D HA -0.242 4.399 4.640 0.001 0.000 0.195 184 D C 1.694 178.093 176.300 0.166 0.000 0.989 184 D CA 1.128 55.193 54.000 0.108 0.000 0.827 184 D CB -0.354 40.521 40.800 0.125 0.000 0.966 184 D HN 0.400 nan 8.370 nan 0.000 0.456 185 W N 1.657 122.989 121.300 0.055 0.000 2.325 185 W HA -0.243 4.417 4.660 0.000 0.000 0.299 185 W C 2.168 178.748 176.519 0.101 0.000 1.215 185 W CA 2.240 59.637 57.345 0.087 0.000 1.244 185 W CB -0.391 29.129 29.460 0.100 0.000 1.140 185 W HN -0.139 nan 8.180 nan 0.000 0.523 186 T N 0.150 114.921 114.554 0.362 0.000 2.701 186 T HA -0.271 4.079 4.350 0.001 0.000 0.263 186 T C 1.431 176.122 174.700 -0.015 0.000 1.040 186 T CA 1.770 63.961 62.100 0.151 0.000 1.147 186 T CB -0.710 68.258 68.868 0.167 0.000 0.865 186 T HN 0.333 nan 8.240 nan 0.000 0.426 187 N N 1.590 120.288 118.700 -0.002 0.000 2.104 187 N HA -0.120 4.620 4.740 0.001 0.000 0.190 187 N C 1.673 177.146 175.510 -0.063 0.000 1.024 187 N CA 1.744 54.768 53.050 -0.042 0.000 0.853 187 N CB -0.402 38.062 38.487 -0.037 0.000 1.008 187 N HN 0.479 nan 8.380 nan 0.000 0.424 188 N N -1.496 117.162 118.700 -0.070 0.000 2.216 188 N HA -0.162 4.579 4.740 0.001 0.000 0.183 188 N C 1.592 177.010 175.510 -0.153 0.000 1.017 188 N CA 0.503 53.490 53.050 -0.104 0.000 0.861 188 N CB -0.247 38.186 38.487 -0.089 0.000 0.986 188 N HN 0.272 nan 8.380 nan 0.000 0.428 189 F N 1.511 121.213 119.950 -0.413 0.000 2.161 189 F HA -0.176 4.351 4.527 0.001 0.000 0.300 189 F C 2.737 178.494 175.800 -0.072 0.000 1.089 189 F CA 1.520 59.280 58.000 -0.401 0.000 1.282 189 F CB -0.546 37.944 39.000 -0.850 0.000 1.010 189 F HN -0.013 nan 8.300 nan 0.000 0.485 190 S N 0.078 115.815 115.700 0.061 0.000 2.387 190 S HA -0.111 4.359 4.470 0.001 0.000 0.226 190 S C 2.137 176.717 174.600 -0.033 0.000 1.026 190 S CA 1.209 59.419 58.200 0.017 0.000 0.972 190 S CB -0.485 62.658 63.200 -0.096 0.000 0.814 190 S HN 0.455 nan 8.310 nan 0.000 0.477 191 L N 0.991 122.165 121.223 -0.082 0.000 2.083 191 L HA -0.046 4.294 4.340 0.001 0.000 0.209 191 L C 2.444 179.239 176.870 -0.124 0.000 1.083 191 L CA 1.022 55.807 54.840 -0.091 0.000 0.752 191 L CB -0.512 41.489 42.059 -0.097 0.000 0.899 191 L HN 0.251 nan 8.230 nan 0.000 0.433 192 V N -1.207 118.581 119.914 -0.210 0.000 2.667 192 V HA -0.232 3.888 4.120 0.001 0.000 0.252 192 V C 1.566 177.393 176.094 -0.445 0.000 1.065 192 V CA 1.479 63.565 62.300 -0.357 0.000 1.083 192 V CB -0.672 30.835 31.823 -0.526 0.000 0.692 192 V HN 0.474 nan 8.190 nan 0.000 0.468 193 H N -0.336 118.595 119.070 -0.232 0.000 2.529 193 H HA 0.431 4.987 4.556 0.001 0.000 0.277 193 H C 1.501 176.847 175.328 0.030 0.000 1.004 193 H CA 0.568 56.522 56.048 -0.158 0.000 1.167 193 H CB 0.311 29.967 29.762 -0.178 0.000 1.445 193 H HN 0.425 nan 8.280 nan 0.000 0.554 194 G N 1.662 110.528 108.800 0.110 0.000 2.203 194 G HA2 -0.315 3.645 3.960 0.001 0.000 0.231 194 G HA3 -0.315 3.645 3.960 0.001 0.000 0.231 194 G C -0.554 174.541 174.900 0.326 0.000 1.058 194 G CA -0.022 45.186 45.100 0.180 0.000 0.781 194 G HN 0.621 nan 8.290 nan 0.000 0.496 195 N N -2.220 116.606 118.700 0.209 0.000 3.118 195 N HA -0.136 4.604 4.740 0.001 0.000 0.273 195 N C 0.811 176.421 175.510 0.166 0.000 1.781 195 N CA 0.805 53.931 53.050 0.128 0.000 1.752 195 N CB -1.064 37.533 38.487 0.183 0.000 0.755 195 N HN 0.659 nan 8.380 nan 0.000 0.493 196 L N 3.783 124.975 121.223 -0.053 0.000 2.450 196 L HA 0.072 4.412 4.340 0.001 0.000 0.224 196 L C 1.780 178.576 176.870 -0.122 0.000 1.149 196 L CA 1.153 55.871 54.840 -0.203 0.000 0.816 196 L CB -0.571 41.179 42.059 -0.516 0.000 0.932 196 L HN 0.625 nan 8.230 nan 0.000 0.449 197 F N -1.889 117.951 119.950 -0.184 0.000 2.546 197 F HA -0.147 4.380 4.527 0.001 0.000 0.298 197 F C 1.664 177.351 175.800 -0.189 0.000 1.120 197 F CA 0.558 58.462 58.000 -0.160 0.000 1.456 197 F CB -0.745 38.087 39.000 -0.279 0.000 1.088 197 F HN 0.174 nan 8.300 nan 0.000 0.572 198 Y N -1.574 118.898 120.300 0.286 0.000 2.462 198 Y HA 0.118 4.668 4.550 0.001 0.000 0.261 198 Y C 1.095 177.074 175.900 0.133 0.000 1.146 198 Y CA -0.506 57.766 58.100 0.286 0.000 1.283 198 Y CB -0.498 38.220 38.460 0.430 0.000 1.090 198 Y HN -0.184 nan 8.280 nan 0.000 0.526 199 N N 3.136 121.751 118.700 -0.142 0.000 2.405 199 N HA 0.023 4.763 4.740 0.001 0.000 0.260 199 N C -1.925 173.322 175.510 -0.439 0.000 1.152 199 N CA -1.430 51.057 53.050 -0.938 0.000 0.948 199 N CB 1.201 38.887 38.487 -1.335 0.000 1.111 199 N HN 0.062 nan 8.380 nan 0.000 0.485 200 P HA -0.037 nan 4.420 nan 0.000 0.229 200 P C 1.106 178.153 177.300 -0.422 0.000 1.160 200 P CA 0.696 63.603 63.100 -0.321 0.000 0.777 200 P CB 0.081 31.616 31.700 -0.275 0.000 0.814 201 F N -0.205 119.632 119.950 -0.188 0.000 2.146 201 F HA -0.128 4.399 4.527 0.000 0.000 0.298 201 F C 2.865 178.630 175.800 -0.058 0.000 1.096 201 F CA 1.190 59.138 58.000 -0.087 0.000 1.275 201 F CB -1.601 37.346 39.000 -0.087 0.000 1.008 201 F HN 0.102 nan 8.300 nan 0.000 0.480 202 H N -0.117 118.929 119.070 -0.041 0.000 2.353 202 H HA -0.146 4.410 4.556 0.001 0.000 0.298 202 H C 2.358 177.651 175.328 -0.059 0.000 1.103 202 H CA 1.543 57.566 56.048 -0.041 0.000 1.293 202 H CB -0.434 29.284 29.762 -0.075 0.000 1.372 202 H HN 0.348 nan 8.280 nan 0.000 0.501 203 G N 0.838 109.575 108.800 -0.106 0.000 2.403 203 G HA2 -0.166 3.794 3.960 0.001 0.000 0.216 203 G HA3 -0.166 3.794 3.960 0.001 0.000 0.216 203 G C 1.741 176.483 174.900 -0.263 0.000 1.154 203 G CA 0.295 45.272 45.100 -0.204 0.000 0.784 203 G HN 0.253 nan 8.290 nan 0.000 0.538 204 L N 1.114 122.221 121.223 -0.193 0.000 2.027 204 L HA 0.045 4.386 4.340 0.001 0.000 0.206 204 L C 2.995 179.716 176.870 -0.250 0.000 1.074 204 L CA 1.846 56.551 54.840 -0.225 0.000 0.745 204 L CB -1.046 41.015 42.059 0.005 0.000 0.898 204 L HN 0.272 nan 8.230 nan 0.000 0.433 205 S N -0.746 114.929 115.700 -0.041 0.000 2.383 205 S HA -0.168 4.303 4.470 0.001 0.000 0.229 205 S C 2.070 176.587 174.600 -0.139 0.000 1.030 205 S CA 1.329 59.556 58.200 0.045 0.000 1.002 205 S CB -0.189 63.031 63.200 0.033 0.000 0.829 205 S HN 0.382 nan 8.310 nan 0.000 0.467 206 I N 1.202 121.550 120.570 -0.370 0.000 2.315 206 I HA -0.131 4.040 4.170 0.001 0.000 0.248 206 I C 2.651 178.388 176.117 -0.633 0.000 1.117 206 I CA 0.955 61.902 61.300 -0.589 0.000 1.404 206 I CB -0.427 37.131 38.000 -0.736 0.000 1.071 206 I HN 0.347 nan 8.210 nan 0.000 0.419 207 A N 0.775 123.294 122.820 -0.502 0.000 1.908 207 A HA -0.218 4.102 4.320 0.001 0.000 0.218 207 A C 1.991 179.409 177.584 -0.276 0.000 1.181 207 A CA 1.711 53.497 52.037 -0.418 0.000 0.627 207 A CB -0.883 17.772 19.000 -0.576 0.000 0.818 207 A HN 0.356 nan 8.150 nan 0.000 0.445 208 F N -1.087 118.859 119.950 -0.007 0.000 2.325 208 F HA 0.034 4.561 4.527 0.000 0.000 0.299 208 F C 1.918 177.765 175.800 0.078 0.000 1.090 208 F CA 0.635 58.673 58.000 0.063 0.000 1.392 208 F CB -0.649 38.400 39.000 0.082 0.000 1.053 208 F HN 0.215 nan 8.300 nan 0.000 0.521 209 L N -1.113 120.208 121.223 0.164 0.000 2.023 209 L HA -0.184 4.156 4.340 0.001 0.000 0.205 209 L C 2.316 179.342 176.870 0.261 0.000 1.073 209 L CA 1.727 56.665 54.840 0.163 0.000 0.745 209 L CB -1.009 41.083 42.059 0.055 0.000 0.900 209 L HN 0.001 nan 8.230 nan 0.000 0.435 210 Y N 0.274 120.613 120.300 0.065 0.000 2.151 210 Y HA -0.152 4.398 4.550 0.001 0.000 0.284 210 Y C 2.528 178.471 175.900 0.072 0.000 1.166 210 Y CA 0.973 59.102 58.100 0.047 0.000 1.163 210 Y CB -1.581 36.880 38.460 0.002 0.000 0.974 210 Y HN 0.288 nan 8.280 nan 0.000 0.511 211 G N -1.462 107.497 108.800 0.266 0.000 2.408 211 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 211 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 211 G C 2.022 177.045 174.900 0.204 0.000 1.150 211 G CA 1.050 46.276 45.100 0.211 0.000 0.776 211 G HN 0.372 nan 8.290 nan 0.000 0.542 212 S N 0.915 116.754 115.700 0.232 0.000 2.370 212 S HA -0.044 4.427 4.470 0.001 0.000 0.226 212 S C 2.779 177.517 174.600 0.231 0.000 1.033 212 S CA 1.267 59.598 58.200 0.219 0.000 1.011 212 S CB -0.333 63.001 63.200 0.224 0.000 0.852 212 S HN 0.580 nan 8.310 nan 0.000 0.457 213 A N 1.407 124.355 122.820 0.213 0.000 1.873 213 A HA -0.028 4.292 4.320 0.001 0.000 0.215 213 A C 2.097 179.777 177.584 0.160 0.000 1.186 213 A CA 1.376 53.523 52.037 0.184 0.000 0.616 213 A CB -0.775 18.312 19.000 0.144 0.000 0.823 213 A HN 0.430 nan 8.150 nan 0.000 0.442 214 L N -0.700 120.604 121.223 0.134 0.000 2.012 214 L HA -0.148 4.192 4.340 0.001 0.000 0.210 214 L C 2.207 179.131 176.870 0.090 0.000 1.073 214 L CA 2.276 57.174 54.840 0.096 0.000 0.748 214 L CB -0.803 41.302 42.059 0.077 0.000 0.891 214 L HN 0.335 nan 8.230 nan 0.000 0.431 215 L N -1.765 119.516 121.223 0.097 0.000 2.023 215 L HA -0.096 4.244 4.340 0.001 0.000 0.205 215 L C 2.262 179.234 176.870 0.170 0.000 1.073 215 L CA 1.550 56.420 54.840 0.051 0.000 0.745 215 L CB -0.933 41.139 42.059 0.022 0.000 0.900 215 L HN 0.259 nan 8.230 nan 0.000 0.435 216 F N 0.346 120.341 119.950 0.075 0.000 2.269 216 F HA -0.079 4.448 4.527 0.000 0.000 0.301 216 F C 2.331 178.174 175.800 0.071 0.000 1.082 216 F CA 0.646 58.704 58.000 0.095 0.000 1.360 216 F CB -0.934 38.123 39.000 0.094 0.000 1.041 216 F HN 0.204 nan 8.300 nan 0.000 0.512 217 A N -0.162 122.822 122.820 0.273 0.000 1.873 217 A HA -0.206 4.114 4.320 0.001 0.000 0.215 217 A C 2.354 180.041 177.584 0.172 0.000 1.186 217 A CA 1.741 53.871 52.037 0.155 0.000 0.616 217 A CB -0.645 18.420 19.000 0.109 0.000 0.823 217 A HN 0.367 nan 8.150 nan 0.000 0.442 218 M N -1.937 117.769 119.600 0.177 0.000 2.067 218 M HA -0.149 4.332 4.480 0.001 0.000 0.260 218 M C 2.347 178.790 176.300 0.239 0.000 1.069 218 M CA 2.023 57.446 55.300 0.204 0.000 1.117 218 M CB -0.525 32.044 32.600 -0.052 0.000 1.334 218 M HN 0.670 nan 8.290 nan 0.000 0.407 219 H N 0.112 119.227 119.070 0.075 0.000 2.293 219 H HA -0.069 4.487 4.556 0.001 0.000 0.300 219 H C 1.950 177.363 175.328 0.141 0.000 1.082 219 H CA 2.102 58.186 56.048 0.061 0.000 1.308 219 H CB -0.782 28.959 29.762 -0.035 0.000 1.375 219 H HN 0.329 nan 8.280 nan 0.000 0.495 220 G N -0.041 108.833 108.800 0.123 0.000 2.459 220 G HA2 -0.278 3.682 3.960 0.001 0.000 0.217 220 G HA3 -0.278 3.682 3.960 0.001 0.000 0.217 220 G C 1.942 176.802 174.900 -0.066 0.000 1.183 220 G CA 1.469 46.559 45.100 -0.016 0.000 0.776 220 G HN 0.629 nan 8.290 nan 0.000 0.552 221 A N -0.106 122.708 122.820 -0.011 0.000 2.019 221 A HA 0.039 4.360 4.320 0.001 0.000 0.219 221 A C 2.505 180.039 177.584 -0.083 0.000 1.164 221 A CA 2.383 54.387 52.037 -0.055 0.000 0.644 221 A CB -0.680 18.303 19.000 -0.027 0.000 0.805 221 A HN 0.338 nan 8.150 nan 0.000 0.449 222 T N 0.413 114.959 114.554 -0.012 0.000 2.698 222 T HA -0.060 4.290 4.350 0.001 0.000 0.260 222 T C 1.792 176.464 174.700 -0.047 0.000 1.044 222 T CA 1.271 63.361 62.100 -0.017 0.000 1.149 222 T CB -0.262 68.734 68.868 0.214 0.000 0.864 222 T HN 0.276 nan 8.240 nan 0.000 0.419 223 I N 1.465 121.996 120.570 -0.065 0.000 2.194 223 I HA -0.108 4.063 4.170 0.001 0.000 0.246 223 I C 2.336 178.401 176.117 -0.086 0.000 1.093 223 I CA 1.253 62.508 61.300 -0.075 0.000 1.355 223 I CB -1.321 36.578 38.000 -0.168 0.000 1.046 223 I HN 0.265 nan 8.210 nan 0.000 0.413 224 L N 0.328 121.479 121.223 -0.121 0.000 2.093 224 L HA -0.155 4.185 4.340 0.001 0.000 0.208 224 L C 2.689 179.471 176.870 -0.146 0.000 1.085 224 L CA 1.223 55.976 54.840 -0.145 0.000 0.755 224 L CB -0.641 41.316 42.059 -0.169 0.000 0.904 224 L HN 0.181 nan 8.230 nan 0.000 0.435 225 A N -0.128 122.609 122.820 -0.139 0.000 2.019 225 A HA -0.106 4.215 4.320 0.001 0.000 0.219 225 A C 1.840 179.372 177.584 -0.086 0.000 1.164 225 A CA 1.736 53.685 52.037 -0.146 0.000 0.644 225 A CB -0.461 18.413 19.000 -0.209 0.000 0.805 225 A HN 0.365 nan 8.150 nan 0.000 0.449 226 V N -2.433 117.466 119.914 -0.026 0.000 3.276 226 V HA 0.151 4.271 4.120 0.001 0.000 0.319 226 V C 1.465 177.582 176.094 0.038 0.000 1.427 226 V CA 0.783 63.152 62.300 0.115 0.000 1.102 226 V CB -0.605 31.365 31.823 0.246 0.000 1.020 226 V HN 0.497 nan 8.190 nan 0.000 0.456 227 S N 2.165 117.822 115.700 -0.072 0.000 2.447 227 S HA -0.193 4.277 4.470 0.001 0.000 0.233 227 S C 1.904 176.416 174.600 -0.146 0.000 1.006 227 S CA 1.048 59.204 58.200 -0.074 0.000 0.957 227 S CB -0.729 62.419 63.200 -0.087 0.000 0.773 227 S HN 0.855 nan 8.310 nan 0.000 0.507 228 R N 0.346 120.657 120.500 -0.315 0.000 2.397 228 R HA 0.003 4.343 4.340 0.001 0.000 0.213 228 R C -0.018 175.886 176.300 -0.660 0.000 1.102 228 R CA 0.996 56.796 56.100 -0.501 0.000 1.040 228 R CB -0.770 29.114 30.300 -0.693 0.000 0.844 228 R HN 0.559 nan 8.270 nan 0.000 0.478 229 F N -0.272 119.674 119.950 -0.008 0.000 2.815 229 F HA 0.430 4.957 4.527 0.000 0.000 0.323 229 F C 1.039 176.839 175.800 -0.001 0.000 1.151 229 F CA -0.505 57.493 58.000 -0.003 0.000 1.191 229 F CB 1.097 40.093 39.000 -0.007 0.000 1.069 229 F HN 0.138 nan 8.300 nan 0.000 0.514 230 G N 0.749 109.607 108.800 0.097 0.000 2.221 230 G HA2 -0.268 3.692 3.960 0.001 0.000 0.265 230 G HA3 -0.268 3.692 3.960 0.001 0.000 0.265 230 G C 1.372 176.318 174.900 0.077 0.000 1.041 230 G CA 0.266 45.406 45.100 0.066 0.000 0.807 230 G HN 0.723 nan 8.290 nan 0.000 0.502 231 G N 1.149 110.005 108.800 0.093 0.000 2.476 231 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 231 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 231 G C 1.548 176.484 174.900 0.060 0.000 1.164 231 G CA 1.578 46.734 45.100 0.093 0.000 0.768 231 G HN 0.962 nan 8.290 nan 0.000 0.560 232 E N 1.019 121.235 120.200 0.026 0.000 2.331 232 E HA -0.175 4.176 4.350 0.001 0.000 0.199 232 E C 1.109 177.725 176.600 0.026 0.000 1.008 232 E CA 0.494 56.902 56.400 0.013 0.000 0.843 232 E CB -0.286 29.402 29.700 -0.020 0.000 0.761 232 E HN 0.355 nan 8.360 nan 0.000 0.507 233 R N 1.548 122.065 120.500 0.029 0.000 4.164 233 R HA 0.114 4.454 4.340 0.001 0.000 0.195 233 R C 0.945 177.261 176.300 0.027 0.000 1.712 233 R CA -0.037 56.075 56.100 0.019 0.000 1.457 233 R CB 0.109 30.420 30.300 0.017 0.000 1.387 233 R HN 0.283 nan 8.270 nan 0.000 0.785 234 E N 0.723 120.943 120.200 0.034 0.000 2.110 234 E HA -0.223 4.128 4.350 0.001 0.000 0.193 234 E C 1.315 177.921 176.600 0.009 0.000 0.988 234 E CA 1.074 57.504 56.400 0.051 0.000 0.804 234 E CB 0.034 29.779 29.700 0.075 0.000 0.745 234 E HN 0.492 nan 8.360 nan 0.000 0.458 235 L N 0.647 121.856 121.223 -0.024 0.000 2.056 235 L HA -0.161 4.179 4.340 0.001 0.000 0.207 235 L C 2.545 179.406 176.870 -0.014 0.000 1.078 235 L CA 0.979 55.798 54.840 -0.035 0.000 0.749 235 L CB -0.203 41.825 42.059 -0.052 0.000 0.901 235 L HN 0.048 nan 8.230 nan 0.000 0.433 236 E N -0.194 120.003 120.200 -0.006 0.000 2.106 236 E HA -0.198 4.153 4.350 0.001 0.000 0.192 236 E C 2.270 178.877 176.600 0.012 0.000 0.984 236 E CA 1.013 57.414 56.400 0.002 0.000 0.806 236 E CB 0.041 29.744 29.700 0.005 0.000 0.750 236 E HN 0.290 nan 8.360 nan 0.000 0.458 237 Q N -0.291 119.522 119.800 0.022 0.000 2.167 237 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 237 Q C 2.329 178.347 176.000 0.030 0.000 0.970 237 Q CA 0.923 56.745 55.803 0.032 0.000 0.855 237 Q CB -0.039 28.730 28.738 0.051 0.000 0.911 237 Q HN 0.432 nan 8.270 nan 0.000 0.438 238 I N 0.242 120.828 120.570 0.026 0.000 2.286 238 I HA -0.207 3.963 4.170 0.001 0.000 0.245 238 I C 2.170 178.295 176.117 0.013 0.000 1.104 238 I CA 0.983 62.296 61.300 0.023 0.000 1.397 238 I CB -0.252 37.755 38.000 0.011 0.000 1.072 238 I HN 0.034 nan 8.210 nan 0.000 0.417 239 A N -0.918 121.906 122.820 0.006 0.000 2.067 239 A HA -0.108 4.213 4.320 0.001 0.000 0.217 239 A C 0.457 178.045 177.584 0.006 0.000 1.156 239 A CA 1.127 53.166 52.037 0.003 0.000 0.683 239 A CB -0.056 18.942 19.000 -0.003 0.000 0.808 239 A HN 0.404 nan 8.150 nan 0.000 0.455 240 D N -1.321 119.084 120.400 0.009 0.000 2.362 240 D HA 0.115 4.755 4.640 0.001 0.000 0.232 240 D C -0.585 175.722 176.300 0.011 0.000 1.329 240 D CA -0.360 53.645 54.000 0.009 0.000 0.944 240 D CB 0.196 41.000 40.800 0.007 0.000 1.471 240 D HN 0.207 nan 8.370 nan 0.000 0.533 241 R N 1.667 122.173 120.500 0.010 0.000 2.485 241 R HA 0.365 4.705 4.340 0.001 0.000 0.304 241 R C 0.452 176.751 176.300 -0.001 0.000 0.934 241 R CA 0.561 56.666 56.100 0.008 0.000 1.102 241 R CB 0.242 30.545 30.300 0.005 0.000 0.906 241 R HN 0.400 nan 8.270 nan 0.000 0.407 242 G N 0.876 109.676 108.800 -0.000 0.000 2.521 242 G HA2 0.048 4.008 3.960 0.001 0.000 0.323 242 G HA3 0.048 4.008 3.960 0.001 0.000 0.323 242 G C 0.651 175.517 174.900 -0.056 0.000 1.211 242 G CA -0.314 44.779 45.100 -0.012 0.000 0.979 242 G HN 0.606 nan 8.290 nan 0.000 0.490 243 T N -0.615 113.874 114.554 -0.108 0.000 2.881 243 T HA -0.066 4.284 4.350 0.001 0.000 0.270 243 T C 2.545 177.076 174.700 -0.281 0.000 1.068 243 T CA 2.291 64.252 62.100 -0.233 0.000 1.131 243 T CB -0.521 68.123 68.868 -0.373 0.000 0.871 243 T HN 0.673 nan 8.240 nan 0.000 0.479 244 A N 1.485 124.212 122.820 -0.156 0.000 1.859 244 A HA 0.104 4.424 4.320 0.001 0.000 0.217 244 A C 2.820 180.397 177.584 -0.012 0.000 1.198 244 A CA 2.351 54.381 52.037 -0.011 0.000 0.629 244 A CB -1.613 17.463 19.000 0.127 0.000 0.830 244 A HN 0.734 nan 8.150 nan 0.000 0.446 245 A N -0.621 122.200 122.820 0.002 0.000 1.986 245 A HA -0.217 4.103 4.320 0.001 0.000 0.220 245 A C 1.948 179.523 177.584 -0.016 0.000 1.171 245 A CA 1.863 53.910 52.037 0.018 0.000 0.640 245 A CB -0.551 18.463 19.000 0.024 0.000 0.811 245 A HN 0.699 nan 8.150 nan 0.000 0.451 246 E N -0.721 119.439 120.200 -0.067 0.000 2.046 246 E HA -0.132 4.218 4.350 0.001 0.000 0.190 246 E C 2.355 178.868 176.600 -0.145 0.000 0.982 246 E CA 0.883 57.223 56.400 -0.099 0.000 0.800 246 E CB -0.173 29.457 29.700 -0.117 0.000 0.756 246 E HN 0.558 nan 8.360 nan 0.000 0.449 247 R N 0.691 121.084 120.500 -0.178 0.000 2.096 247 R HA -0.083 4.258 4.340 0.001 0.000 0.235 247 R C 2.362 178.597 176.300 -0.108 0.000 1.127 247 R CA 1.005 56.989 56.100 -0.192 0.000 0.968 247 R CB -0.286 29.883 30.300 -0.220 0.000 0.861 247 R HN 0.092 nan 8.270 nan 0.000 0.440 248 A N 1.477 124.279 122.820 -0.031 0.000 1.845 248 A HA -0.151 4.170 4.320 0.001 0.000 0.215 248 A C 2.414 180.087 177.584 0.148 0.000 1.195 248 A CA 1.802 53.881 52.037 0.070 0.000 0.616 248 A CB -0.853 18.212 19.000 0.109 0.000 0.832 248 A HN 0.387 nan 8.150 nan 0.000 0.443 249 A N -0.475 122.387 122.820 0.070 0.000 1.883 249 A HA -0.064 4.257 4.320 0.001 0.000 0.217 249 A C 2.226 179.789 177.584 -0.034 0.000 1.186 249 A CA 1.608 53.680 52.037 0.058 0.000 0.624 249 A CB -0.642 18.361 19.000 0.006 0.000 0.822 249 A HN 0.480 nan 8.150 nan 0.000 0.444 250 L N -1.996 119.101 121.223 -0.210 0.000 2.056 250 L HA -0.132 4.208 4.340 0.001 0.000 0.207 250 L C 2.502 178.980 176.870 -0.654 0.000 1.078 250 L CA 1.610 56.108 54.840 -0.570 0.000 0.749 250 L CB -0.626 40.927 42.059 -0.843 0.000 0.901 250 L HN 0.550 nan 8.230 nan 0.000 0.433 251 F N -0.069 119.556 119.950 -0.541 0.000 2.115 251 F HA -0.292 4.236 4.527 0.000 0.000 0.300 251 F C 1.950 177.517 175.800 -0.388 0.000 1.092 251 F CA 1.699 59.409 58.000 -0.482 0.000 1.245 251 F CB -0.427 38.257 39.000 -0.527 0.000 0.995 251 F HN 0.003 nan 8.300 nan 0.000 0.481 252 W N 0.301 121.526 121.300 -0.124 0.000 2.453 252 W HA 0.038 4.698 4.660 0.001 0.000 0.289 252 W C 2.804 179.181 176.519 -0.236 0.000 1.215 252 W CA 0.854 58.087 57.345 -0.187 0.000 1.297 252 W CB -0.392 29.023 29.460 -0.076 0.000 1.113 252 W HN -0.128 nan 8.180 nan 0.000 0.551 253 R N -0.248 120.262 120.500 0.016 0.000 2.073 253 R HA -0.193 4.147 4.340 0.001 0.000 0.234 253 R C 1.894 178.302 176.300 0.180 0.000 1.134 253 R CA 2.073 58.214 56.100 0.068 0.000 0.952 253 R CB -0.690 29.638 30.300 0.048 0.000 0.850 253 R HN 0.101 nan 8.270 nan 0.000 0.433 254 W N 0.338 121.567 121.300 -0.119 0.000 2.425 254 W HA 0.011 4.671 4.660 0.000 0.000 0.277 254 W C 2.073 178.468 176.519 -0.207 0.000 1.231 254 W CA 0.988 58.241 57.345 -0.153 0.000 1.248 254 W CB -0.938 28.410 29.460 -0.187 0.000 1.117 254 W HN 0.145 nan 8.180 nan 0.000 0.568 255 T N 0.479 114.965 114.554 -0.113 0.000 2.735 255 T HA -0.104 4.246 4.350 0.001 0.000 0.256 255 T C 1.724 176.440 174.700 0.027 0.000 1.042 255 T CA 1.817 63.822 62.100 -0.158 0.000 1.147 255 T CB -0.279 68.336 68.868 -0.421 0.000 0.865 255 T HN 0.200 nan 8.240 nan 0.000 0.421 256 M N -0.930 118.735 119.600 0.108 0.000 2.300 256 M HA 0.550 5.030 4.480 0.001 0.000 0.313 256 M C 1.337 177.800 176.300 0.271 0.000 0.988 256 M CA 0.543 55.953 55.300 0.184 0.000 1.012 256 M CB 1.194 33.929 32.600 0.225 0.000 1.586 256 M HN 0.376 nan 8.290 nan 0.000 0.562 257 G N 2.045 110.988 108.800 0.237 0.000 2.232 257 G HA2 -0.226 3.734 3.960 0.001 0.000 0.226 257 G HA3 -0.226 3.734 3.960 0.001 0.000 0.226 257 G C -0.176 174.945 174.900 0.369 0.000 0.996 257 G CA 0.252 45.514 45.100 0.270 0.000 0.626 257 G HN 0.741 nan 8.290 nan 0.000 0.509 258 F N 0.622 120.614 119.950 0.069 0.000 2.824 258 F HA 0.837 5.364 4.527 0.001 0.000 0.330 258 F C -0.662 175.175 175.800 0.061 0.000 1.175 258 F CA -1.511 56.526 58.000 0.063 0.000 0.974 258 F CB 0.789 39.819 39.000 0.049 0.000 1.430 258 F HN 0.542 nan 8.300 nan 0.000 0.507 259 N N 0.450 119.033 118.700 -0.194 0.000 3.185 259 N HA 0.565 5.306 4.740 0.001 0.000 0.238 259 N C -2.065 173.401 175.510 -0.072 0.000 1.451 259 N CA -0.602 52.306 53.050 -0.238 0.000 0.888 259 N CB 1.734 40.191 38.487 -0.050 0.000 1.413 259 N HN 1.102 nan 8.380 nan 0.000 0.511 260 A N 0.146 122.914 122.820 -0.088 0.000 2.256 260 A HA 0.753 5.074 4.320 0.001 0.000 0.318 260 A C 0.443 178.060 177.584 0.055 0.000 1.103 260 A CA -0.182 51.877 52.037 0.036 0.000 0.860 260 A CB 0.579 19.570 19.000 -0.015 0.000 1.182 260 A HN 0.813 nan 8.150 nan 0.000 0.501 261 T N -1.829 112.774 114.554 0.083 0.000 2.936 261 T HA 0.425 4.775 4.350 0.001 0.000 0.282 261 T C 1.009 175.755 174.700 0.076 0.000 1.003 261 T CA -0.134 62.009 62.100 0.071 0.000 1.005 261 T CB 0.791 69.701 68.868 0.069 0.000 1.097 261 T HN 0.450 nan 8.240 nan 0.000 0.532 262 M N 0.265 119.918 119.600 0.088 0.000 2.117 262 M HA -0.011 4.469 4.480 0.001 0.000 0.262 262 M C 2.310 178.732 176.300 0.204 0.000 1.065 262 M CA 1.725 57.106 55.300 0.135 0.000 1.114 262 M CB -0.658 32.021 32.600 0.131 0.000 1.361 262 M HN 0.906 nan 8.290 nan 0.000 0.408 263 E N -1.041 119.241 120.200 0.136 0.000 2.072 263 E HA -0.147 4.204 4.350 0.001 0.000 0.191 263 E C 1.940 178.620 176.600 0.134 0.000 0.985 263 E CA 1.209 57.686 56.400 0.129 0.000 0.801 263 E CB -0.423 29.313 29.700 0.060 0.000 0.750 263 E HN 0.642 nan 8.360 nan 0.000 0.452 264 G N 1.834 110.696 108.800 0.104 0.000 2.491 264 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 264 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 264 G C 1.529 176.519 174.900 0.150 0.000 1.180 264 G CA 0.944 46.109 45.100 0.109 0.000 0.774 264 G HN 0.324 nan 8.290 nan 0.000 0.562 265 I N 1.140 121.753 120.570 0.072 0.000 2.248 265 I HA -0.192 3.978 4.170 0.001 0.000 0.248 265 I C 2.311 178.287 176.117 -0.236 0.000 1.107 265 I CA 1.271 62.513 61.300 -0.097 0.000 1.373 265 I CB -0.768 36.999 38.000 -0.388 0.000 1.055 265 I HN 0.344 nan 8.210 nan 0.000 0.418 266 H N -0.590 118.419 119.070 -0.100 0.000 2.529 266 H HA 0.112 4.668 4.556 0.000 0.000 0.277 266 H C 2.171 177.478 175.328 -0.034 0.000 0.999 266 H CA 0.700 56.675 56.048 -0.120 0.000 1.256 266 H CB 0.027 29.724 29.762 -0.107 0.000 1.402 266 H HN 0.297 nan 8.280 nan 0.000 0.566 267 R N -0.657 119.904 120.500 0.100 0.000 2.093 267 R HA -0.102 4.238 4.340 0.001 0.000 0.224 267 R C 1.411 177.789 176.300 0.129 0.000 1.101 267 R CA 0.975 57.131 56.100 0.094 0.000 0.979 267 R CB -0.266 30.059 30.300 0.042 0.000 0.877 267 R HN 0.390 nan 8.270 nan 0.000 0.441 268 W N 1.526 122.850 121.300 0.041 0.000 2.335 268 W HA -0.219 4.441 4.660 0.000 0.000 0.311 268 W C 2.622 179.152 176.519 0.019 0.000 1.213 268 W CA 1.487 58.847 57.345 0.025 0.000 1.274 268 W CB -0.387 29.032 29.460 -0.069 0.000 1.148 268 W HN 0.170 nan 8.180 nan 0.000 0.498 269 A N 0.385 123.300 122.820 0.159 0.000 1.842 269 A HA -0.276 4.044 4.320 0.001 0.000 0.217 269 A C 1.956 179.560 177.584 0.034 0.000 1.206 269 A CA 1.951 53.993 52.037 0.007 0.000 0.630 269 A CB -1.310 17.599 19.000 -0.153 0.000 0.839 269 A HN 0.348 nan 8.150 nan 0.000 0.447 270 I N -2.192 118.380 120.570 0.004 0.000 2.335 270 I HA -0.277 3.893 4.170 0.001 0.000 0.251 270 I C 2.227 178.290 176.117 -0.089 0.000 1.129 270 I CA 1.565 62.821 61.300 -0.074 0.000 1.402 270 I CB -0.126 37.776 38.000 -0.163 0.000 1.069 270 I HN 0.648 nan 8.210 nan 0.000 0.424 271 W N -0.190 121.096 121.300 -0.023 0.000 2.494 271 W HA -0.153 4.507 4.660 0.000 0.000 0.286 271 W C 2.439 178.895 176.519 -0.104 0.000 1.218 271 W CA 0.471 57.770 57.345 -0.077 0.000 1.313 271 W CB -0.181 29.206 29.460 -0.121 0.000 1.105 271 W HN 0.107 nan 8.180 nan 0.000 0.561 272 M N 0.800 120.527 119.600 0.212 0.000 2.159 272 M HA -0.085 4.395 4.480 0.001 0.000 0.263 272 M C 1.980 178.352 176.300 0.120 0.000 1.063 272 M CA 2.340 57.734 55.300 0.156 0.000 1.110 272 M CB -0.518 32.223 32.600 0.235 0.000 1.374 272 M HN -0.053 nan 8.290 nan 0.000 0.411 273 A N -1.438 121.447 122.820 0.110 0.000 1.935 273 A HA 0.028 4.348 4.320 0.001 0.000 0.214 273 A C 2.122 179.763 177.584 0.094 0.000 1.178 273 A CA 1.296 53.401 52.037 0.113 0.000 0.640 273 A CB -0.955 18.101 19.000 0.094 0.000 0.825 273 A HN 0.324 nan 8.150 nan 0.000 0.447 274 V N 0.267 120.217 119.914 0.060 0.000 2.626 274 V HA -0.157 3.963 4.120 0.001 0.000 0.252 274 V C 2.326 178.467 176.094 0.078 0.000 1.067 274 V CA 1.463 63.796 62.300 0.055 0.000 1.081 274 V CB -0.445 31.353 31.823 -0.042 0.000 0.686 274 V HN 0.560 nan 8.190 nan 0.000 0.468 275 L N -1.188 120.033 121.223 -0.002 0.000 2.395 275 L HA -0.063 4.277 4.340 0.001 0.000 0.218 275 L C 2.334 179.233 176.870 0.049 0.000 1.130 275 L CA 0.455 55.201 54.840 -0.156 0.000 0.826 275 L CB -0.334 41.191 42.059 -0.891 0.000 0.941 275 L HN 0.208 nan 8.230 nan 0.000 0.451 276 V N 0.269 120.272 119.914 0.148 0.000 2.255 276 V HA -0.303 3.817 4.120 0.001 0.000 0.247 276 V C 2.597 178.820 176.094 0.214 0.000 1.051 276 V CA 2.631 65.078 62.300 0.245 0.000 1.018 276 V CB -0.720 31.225 31.823 0.203 0.000 0.641 276 V HN 0.658 nan 8.190 nan 0.000 0.445 277 T N -2.687 111.984 114.554 0.195 0.000 3.065 277 T HA 0.047 4.397 4.350 0.001 0.000 0.252 277 T C 1.663 176.564 174.700 0.336 0.000 1.099 277 T CA 0.580 62.809 62.100 0.215 0.000 1.063 277 T CB 0.137 69.121 68.868 0.193 0.000 0.948 277 T HN 0.213 nan 8.240 nan 0.000 0.506 278 L N 2.295 123.697 121.223 0.298 0.000 2.007 278 L HA 0.099 4.439 4.340 0.001 0.000 0.205 278 L C 2.568 179.638 176.870 0.332 0.000 1.073 278 L CA 1.968 56.995 54.840 0.311 0.000 0.744 278 L CB -1.248 40.893 42.059 0.137 0.000 0.898 278 L HN 0.207 nan 8.230 nan 0.000 0.435 279 T N -0.366 114.350 114.554 0.270 0.000 2.708 279 T HA -0.113 4.237 4.350 0.001 0.000 0.266 279 T C 1.747 176.588 174.700 0.236 0.000 1.037 279 T CA 1.229 63.509 62.100 0.300 0.000 1.146 279 T CB -1.155 67.984 68.868 0.452 0.000 0.865 279 T HN 0.569 nan 8.240 nan 0.000 0.435 280 G N 1.458 110.394 108.800 0.227 0.000 2.586 280 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 280 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 280 G C 1.773 176.706 174.900 0.055 0.000 1.216 280 G CA 1.213 46.400 45.100 0.145 0.000 0.786 280 G HN 0.581 nan 8.290 nan 0.000 0.583 281 G N 0.990 109.809 108.800 0.031 0.000 2.513 281 G HA2 -0.278 3.683 3.960 0.001 0.000 0.219 281 G HA3 -0.278 3.683 3.960 0.001 0.000 0.219 281 G C 1.817 176.612 174.900 -0.176 0.000 1.160 281 G CA 1.101 45.998 45.100 -0.337 0.000 0.767 281 G HN 0.480 nan 8.290 nan 0.000 0.571 282 I N 1.190 121.815 120.570 0.092 0.000 2.179 282 I HA -0.109 4.061 4.170 0.001 0.000 0.242 282 I C 3.154 179.126 176.117 -0.241 0.000 1.088 282 I CA 1.055 62.283 61.300 -0.119 0.000 1.357 282 I CB -0.705 37.018 38.000 -0.461 0.000 1.051 282 I HN 0.264 nan 8.210 nan 0.000 0.409 283 G N 1.538 110.234 108.800 -0.174 0.000 2.469 283 G HA2 -0.229 3.732 3.960 0.001 0.000 0.219 283 G HA3 -0.229 3.732 3.960 0.001 0.000 0.219 283 G C 1.563 176.500 174.900 0.061 0.000 1.150 283 G CA 0.674 45.797 45.100 0.038 0.000 0.763 283 G HN 0.219 nan 8.290 nan 0.000 0.561 284 I N 0.179 120.760 120.570 0.019 0.000 2.353 284 I HA 0.014 4.185 4.170 0.001 0.000 0.248 284 I C 2.567 178.736 176.117 0.086 0.000 1.119 284 I CA 0.486 61.811 61.300 0.041 0.000 1.417 284 I CB -0.968 36.970 38.000 -0.103 0.000 1.078 284 I HN 0.132 nan 8.210 nan 0.000 0.421 285 L N 0.844 122.069 121.223 0.005 0.000 2.093 285 L HA -0.096 4.245 4.340 0.001 0.000 0.208 285 L C 2.229 179.153 176.870 0.090 0.000 1.085 285 L CA 1.737 56.585 54.840 0.012 0.000 0.755 285 L CB -0.479 41.562 42.059 -0.030 0.000 0.904 285 L HN 0.115 nan 8.230 nan 0.000 0.435 286 L N -1.428 119.884 121.223 0.148 0.000 2.478 286 L HA 0.024 4.365 4.340 0.001 0.000 0.223 286 L C 0.892 177.892 176.870 0.217 0.000 1.140 286 L CA -0.051 54.906 54.840 0.195 0.000 0.842 286 L CB -0.407 41.839 42.059 0.312 0.000 0.953 286 L HN 0.021 nan 8.230 nan 0.000 0.452 287 S N 0.489 116.356 115.700 0.279 0.000 2.414 287 S HA 0.377 4.848 4.470 0.001 0.000 0.290 287 S C 1.070 175.681 174.600 0.019 0.000 1.160 287 S CA 0.505 58.812 58.200 0.178 0.000 1.069 287 S CB 0.659 63.967 63.200 0.181 0.000 1.012 287 S HN 0.571 nan 8.310 nan 0.000 0.510 288 G N 2.975 111.824 108.800 0.082 0.000 2.195 288 G HA2 -0.319 3.641 3.960 0.001 0.000 0.246 288 G HA3 -0.319 3.641 3.960 0.001 0.000 0.246 288 G C 0.862 175.792 174.900 0.049 0.000 0.984 288 G CA 0.725 45.916 45.100 0.151 0.000 0.633 288 G HN 0.801 nan 8.290 nan 0.000 0.525 289 T N -3.404 111.171 114.554 0.036 0.000 3.042 289 T HA 0.474 4.824 4.350 0.001 0.000 0.245 289 T C 1.879 176.581 174.700 0.004 0.000 1.029 289 T CA 1.609 63.721 62.100 0.020 0.000 1.120 289 T CB 0.518 69.407 68.868 0.035 0.000 0.917 289 T HN 0.608 nan 8.240 nan 0.000 0.467 290 V N 0.183 120.093 119.914 -0.006 0.000 3.431 290 V HA 0.413 4.533 4.120 0.001 0.000 0.255 290 V C -0.059 175.984 176.094 -0.085 0.000 1.403 290 V CA -0.096 62.196 62.300 -0.013 0.000 1.101 290 V CB 1.473 33.315 31.823 0.031 0.000 0.891 290 V HN 0.314 nan 8.190 nan 0.000 0.446 291 V N 0.622 120.415 119.914 -0.202 0.000 2.483 291 V HA 0.411 4.531 4.120 0.001 0.000 0.297 291 V C 0.377 176.241 176.094 -0.384 0.000 1.027 291 V CA -0.320 61.715 62.300 -0.441 0.000 0.855 291 V CB 1.825 32.989 31.823 -1.098 0.000 0.995 291 V HN 0.246 nan 8.190 nan 0.000 0.424 292 D N 2.819 123.058 120.400 -0.268 0.000 2.327 292 D HA 0.042 4.683 4.640 0.001 0.000 0.205 292 D C 0.263 176.442 176.300 -0.201 0.000 0.989 292 D CA 0.650 54.541 54.000 -0.182 0.000 0.873 292 D CB 0.569 41.285 40.800 -0.139 0.000 0.955 292 D HN 0.537 nan 8.370 nan 0.000 0.515 293 N N -0.441 118.103 118.700 -0.259 0.000 2.697 293 N HA -0.030 4.710 4.740 0.001 0.000 0.271 293 N C -0.295 175.158 175.510 -0.095 0.000 1.149 293 N CA -0.406 52.572 53.050 -0.120 0.000 0.939 293 N CB 0.029 38.500 38.487 -0.027 0.000 1.534 293 N HN -0.122 nan 8.380 nan 0.000 0.556 294 W N 1.924 123.340 121.300 0.195 0.000 2.425 294 W HA -0.075 4.585 4.660 0.001 0.000 0.277 294 W C 1.722 178.409 176.519 0.279 0.000 1.231 294 W CA 0.409 57.907 57.345 0.254 0.000 1.248 294 W CB -0.165 29.446 29.460 0.251 0.000 1.117 294 W HN 0.678 nan 8.180 nan 0.000 0.568 295 Y N 0.500 120.905 120.300 0.176 0.000 2.163 295 Y HA -0.231 4.320 4.550 0.000 0.000 0.288 295 Y C 2.198 178.010 175.900 -0.146 0.000 1.136 295 Y CA 1.911 59.849 58.100 -0.271 0.000 1.147 295 Y CB -0.779 37.516 38.460 -0.276 0.000 0.987 295 Y HN -0.218 nan 8.280 nan 0.000 0.509 296 V N -0.523 119.373 119.914 -0.031 0.000 2.343 296 V HA -0.305 3.816 4.120 0.001 0.000 0.247 296 V C 2.097 178.105 176.094 -0.142 0.000 1.051 296 V CA 2.012 64.226 62.300 -0.143 0.000 1.036 296 V CB -1.157 30.656 31.823 -0.017 0.000 0.654 296 V HN 0.714 nan 8.190 nan 0.000 0.451 297 W N 1.455 122.645 121.300 -0.182 0.000 2.363 297 W HA -0.093 4.567 4.660 0.000 0.000 0.296 297 W C 2.306 178.743 176.519 -0.135 0.000 1.212 297 W CA 1.756 59.023 57.345 -0.130 0.000 1.260 297 W CB -0.548 28.846 29.460 -0.109 0.000 1.131 297 W HN 0.247 nan 8.180 nan 0.000 0.530 298 G N -0.288 108.595 108.800 0.137 0.000 2.432 298 G HA2 -0.269 3.691 3.960 0.001 0.000 0.219 298 G HA3 -0.269 3.691 3.960 0.001 0.000 0.219 298 G C 1.425 175.991 174.900 -0.557 0.000 1.135 298 G CA 0.914 45.974 45.100 -0.068 0.000 0.767 298 G HN 0.247 nan 8.290 nan 0.000 0.550 299 Q N 0.315 119.752 119.800 -0.605 0.000 2.123 299 Q HA 0.007 4.347 4.340 0.001 0.000 0.199 299 Q C 2.256 177.905 176.000 -0.585 0.000 0.966 299 Q CA 0.898 56.349 55.803 -0.586 0.000 0.845 299 Q CB -0.162 28.248 28.738 -0.546 0.000 0.907 299 Q HN 0.454 nan 8.270 nan 0.000 0.439 300 N N -0.479 117.869 118.700 -0.585 0.000 2.420 300 N HA -0.024 4.716 4.740 0.001 0.000 0.185 300 N C -0.274 174.895 175.510 -0.568 0.000 1.033 300 N CA 0.534 53.300 53.050 -0.474 0.000 0.879 300 N CB 0.177 38.465 38.487 -0.330 0.000 1.071 300 N HN 0.341 nan 8.380 nan 0.000 0.437 301 H N -1.458 117.175 119.070 -0.728 0.000 3.114 301 H HA 0.092 4.648 4.556 0.001 0.000 0.280 301 H C 0.265 175.084 175.328 -0.848 0.000 1.310 301 H CA 0.189 55.594 56.048 -1.071 0.000 1.174 301 H CB -1.221 28.185 29.762 -0.594 0.000 1.296 301 H HN 0.526 nan 8.280 nan 0.000 0.401 302 G N 0.000 108.363 108.800 -0.729 0.000 5.446 302 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 302 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 302 G CA 0.000 44.977 45.100 -0.205 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925