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 1qq5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKAVVFDAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA DATA SEQUENCE LMGRYADFWS VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ DATA SEQUENCE CLAELAPLKR AILSNGAPDM LQALVANAGL TDSFDAVISV DAKRVFKPHP DATA SEQUENCE DSYALVEEVL GVTPAEVLFV SSNGFDVGGA KNFGFSVARV ARLSQEALAR DATA SEQUENCE ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL VRGMA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.031 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 I N 4.364 124.951 120.570 0.028 0.000 2.664 2 I HA -0.004 4.173 4.170 0.010 0.000 0.284 2 I C 0.698 176.821 176.117 0.010 0.000 1.154 2 I CA 0.901 62.214 61.300 0.020 0.000 1.402 2 I CB 0.226 38.231 38.000 0.008 0.000 1.395 2 I HN 0.777 nan 8.210 nan 0.000 0.545 3 K N 4.407 124.815 120.400 0.014 0.000 2.391 3 K HA 0.396 4.722 4.320 0.010 0.000 0.197 3 K C 0.259 176.865 176.600 0.010 0.000 1.087 3 K CA 0.148 56.444 56.287 0.014 0.000 1.012 3 K CB 0.927 33.441 32.500 0.024 0.000 0.925 3 K HN 0.671 nan 8.250 nan 0.000 0.547 4 A N 0.966 123.784 122.820 -0.004 0.000 2.520 4 A HA 0.544 4.870 4.320 0.010 0.000 0.298 4 A C -1.200 176.350 177.584 -0.057 0.000 1.051 4 A CA -0.605 51.425 52.037 -0.012 0.000 0.690 4 A CB 1.677 20.674 19.000 -0.006 0.000 1.281 4 A HN -0.081 nan 8.150 nan 0.000 0.402 5 V N 2.299 122.185 119.914 -0.047 0.000 2.357 5 V HA 0.497 4.623 4.120 0.010 0.000 0.284 5 V C -0.398 175.592 176.094 -0.173 0.000 1.018 5 V CA -0.518 61.681 62.300 -0.168 0.000 0.841 5 V CB 1.237 32.985 31.823 -0.125 0.000 0.991 5 V HN 0.651 nan 8.190 nan 0.000 0.437 6 V N 5.678 125.373 119.914 -0.364 0.000 2.417 6 V HA 0.542 4.668 4.120 0.010 0.000 0.291 6 V C -0.628 175.061 176.094 -0.674 0.000 1.024 6 V CA -0.475 61.656 62.300 -0.281 0.000 0.861 6 V CB 1.478 33.199 31.823 -0.170 0.000 0.985 6 V HN 0.646 nan 8.190 nan 0.000 0.436 7 F N 2.079 121.812 119.950 -0.362 0.000 2.443 7 F HA 0.435 4.968 4.527 0.010 0.000 0.335 7 F C 0.492 176.057 175.800 -0.391 0.000 1.104 7 F CA -0.911 56.843 58.000 -0.411 0.000 1.013 7 F CB 1.223 40.122 39.000 -0.168 0.000 1.136 7 F HN 0.543 nan 8.300 nan 0.000 0.470 8 D N 1.523 121.770 120.400 -0.255 0.000 2.400 8 D HA 0.363 5.009 4.640 0.010 0.000 0.238 8 D C 0.452 176.794 176.300 0.069 0.000 1.157 8 D CA 0.372 54.380 54.000 0.014 0.000 0.889 8 D CB 1.376 42.239 40.800 0.104 0.000 1.199 8 D HN 0.566 nan 8.370 nan 0.000 0.436 9 A N 2.568 125.410 122.820 0.037 0.000 1.982 9 A HA 0.093 4.420 4.320 0.010 0.000 0.217 9 A C 0.038 177.706 177.584 0.140 0.000 1.457 9 A CA 0.184 52.233 52.037 0.021 0.000 0.654 9 A CB -0.712 18.096 19.000 -0.320 0.000 1.150 9 A HN 0.648 nan 8.150 nan 0.000 0.509 10 Y N 0.508 120.968 120.300 0.267 0.000 2.605 10 Y HA 0.388 4.944 4.550 0.010 0.000 0.336 10 Y C 1.592 177.657 175.900 0.274 0.000 1.111 10 Y CA 0.702 58.971 58.100 0.281 0.000 1.422 10 Y CB -0.007 38.620 38.460 0.278 0.000 1.193 10 Y HN 0.672 nan 8.280 nan 0.000 0.526 11 G N 1.852 110.907 108.800 0.425 0.000 2.234 11 G HA2 -0.317 3.649 3.960 0.010 0.000 0.235 11 G HA3 -0.317 3.649 3.960 0.010 0.000 0.235 11 G C 0.926 176.032 174.900 0.343 0.000 0.997 11 G CA 0.587 45.909 45.100 0.370 0.000 0.623 11 G HN 0.597 nan 8.290 nan 0.000 0.514 12 T N 0.138 114.863 114.554 0.285 0.000 3.156 12 T HA 0.342 4.698 4.350 0.010 0.000 0.236 12 T C 2.316 177.106 174.700 0.151 0.000 0.978 12 T CA 1.042 63.239 62.100 0.160 0.000 1.240 12 T CB -0.041 68.905 68.868 0.130 0.000 0.951 12 T HN 0.143 nan 8.240 nan 0.000 0.420 13 L N -0.492 120.783 121.223 0.087 0.000 2.307 13 L HA 0.317 4.663 4.340 0.010 0.000 0.211 13 L C -0.316 176.325 176.870 -0.381 0.000 1.099 13 L CA 0.649 55.362 54.840 -0.211 0.000 0.816 13 L CB 0.129 41.887 42.059 -0.502 0.000 0.952 13 L HN 0.162 nan 8.230 nan 0.000 0.455 14 F N -0.891 119.153 119.950 0.157 0.000 2.520 14 F HA 0.262 4.795 4.527 0.010 0.000 0.322 14 F C 0.142 175.905 175.800 -0.062 0.000 1.103 14 F CA -1.334 56.665 58.000 -0.002 0.000 0.926 14 F CB 1.021 40.009 39.000 -0.021 0.000 1.154 14 F HN -0.262 nan 8.300 nan 0.000 0.453 15 D N 2.424 122.684 120.400 -0.232 0.000 2.344 15 D HA 0.095 4.741 4.640 0.010 0.000 0.253 15 D C 1.082 177.304 176.300 -0.131 0.000 1.255 15 D CA 0.075 53.868 54.000 -0.344 0.000 0.894 15 D CB 1.361 41.805 40.800 -0.593 0.000 1.067 15 D HN 0.430 nan 8.370 nan 0.000 0.492 16 V N 2.097 121.993 119.914 -0.030 0.000 3.444 16 V HA -0.087 4.039 4.120 0.010 0.000 0.271 16 V C 1.388 177.375 176.094 -0.177 0.000 1.188 16 V CA 0.893 63.108 62.300 -0.141 0.000 1.168 16 V CB -0.246 31.588 31.823 0.018 0.000 0.810 16 V HN 0.395 nan 8.190 nan 0.000 0.500 17 Q N 1.572 121.307 119.800 -0.108 0.000 2.424 17 Q HA 0.073 4.419 4.340 0.010 0.000 0.204 17 Q C 2.305 178.244 176.000 -0.102 0.000 0.933 17 Q CA 1.215 56.968 55.803 -0.083 0.000 0.929 17 Q CB 0.196 28.914 28.738 -0.032 0.000 1.037 17 Q HN 0.922 nan 8.270 nan 0.000 0.511 18 S N 0.067 115.679 115.700 -0.146 0.000 2.603 18 S HA -0.031 4.445 4.470 0.010 0.000 0.229 18 S C 1.635 176.165 174.600 -0.116 0.000 0.972 18 S CA 0.550 58.676 58.200 -0.123 0.000 0.935 18 S CB -0.566 62.554 63.200 -0.133 0.000 0.769 18 S HN 0.224 nan 8.310 nan 0.000 0.536 19 V N -2.021 117.806 119.914 -0.145 0.000 3.623 19 V HA 0.464 4.590 4.120 0.010 0.000 0.271 19 V C 2.312 178.423 176.094 0.029 0.000 1.248 19 V CA 0.347 62.605 62.300 -0.070 0.000 1.156 19 V CB -1.436 30.325 31.823 -0.102 0.000 0.870 19 V HN 0.435 nan 8.190 nan 0.000 0.453 20 A N 1.344 124.167 122.820 0.003 0.000 1.915 20 A HA -0.295 4.031 4.320 0.010 0.000 0.220 20 A C 1.989 179.602 177.584 0.049 0.000 1.198 20 A CA 2.588 54.643 52.037 0.030 0.000 0.647 20 A CB -0.740 18.267 19.000 0.011 0.000 0.825 20 A HN 0.615 nan 8.150 nan 0.000 0.456 21 D N -0.426 119.996 120.400 0.037 0.000 2.149 21 D HA 0.025 4.672 4.640 0.010 0.000 0.201 21 D C 2.258 178.591 176.300 0.054 0.000 0.972 21 D CA 1.334 55.358 54.000 0.040 0.000 0.835 21 D CB -0.364 40.450 40.800 0.023 0.000 0.966 21 D HN 0.468 nan 8.370 nan 0.000 0.476 22 A N 1.068 123.928 122.820 0.067 0.000 1.930 22 A HA -0.146 4.180 4.320 0.010 0.000 0.217 22 A C 2.394 180.042 177.584 0.106 0.000 1.175 22 A CA 2.334 54.419 52.037 0.080 0.000 0.627 22 A CB -0.848 18.218 19.000 0.110 0.000 0.815 22 A HN 0.368 nan 8.150 nan 0.000 0.443 23 T N -2.435 112.204 114.554 0.142 0.000 2.896 23 T HA -0.087 4.269 4.350 0.010 0.000 0.263 23 T C 1.675 176.457 174.700 0.137 0.000 1.050 23 T CA 1.492 63.684 62.100 0.153 0.000 1.140 23 T CB -0.221 68.758 68.868 0.185 0.000 0.877 23 T HN 0.396 nan 8.240 nan 0.000 0.457 24 E N 1.576 121.844 120.200 0.113 0.000 2.153 24 E HA -0.063 4.293 4.350 0.010 0.000 0.194 24 E C 2.404 179.066 176.600 0.105 0.000 0.988 24 E CA 1.030 57.496 56.400 0.110 0.000 0.811 24 E CB -0.221 29.527 29.700 0.081 0.000 0.746 24 E HN 0.540 nan 8.360 nan 0.000 0.466 25 R N -0.272 120.279 120.500 0.085 0.000 2.090 25 R HA 0.034 4.380 4.340 0.010 0.000 0.228 25 R C 2.356 178.714 176.300 0.097 0.000 1.110 25 R CA 1.001 57.142 56.100 0.068 0.000 0.973 25 R CB -0.382 29.943 30.300 0.042 0.000 0.869 25 R HN 0.204 nan 8.270 nan 0.000 0.440 26 A N 0.240 123.144 122.820 0.141 0.000 1.972 26 A HA -0.168 4.158 4.320 0.010 0.000 0.219 26 A C 0.356 178.073 177.584 0.221 0.000 1.169 26 A CA 1.083 53.256 52.037 0.226 0.000 0.635 26 A CB -0.042 19.103 19.000 0.242 0.000 0.810 26 A HN 0.407 nan 8.150 nan 0.000 0.446 27 Y N -1.246 119.096 120.300 0.070 0.000 2.412 27 Y HA 0.363 4.918 4.550 0.010 0.000 0.339 27 Y C -3.047 172.879 175.900 0.043 0.000 1.151 27 Y CA -3.041 55.086 58.100 0.045 0.000 1.355 27 Y CB 0.987 39.469 38.460 0.037 0.000 1.120 27 Y HN -0.024 nan 8.280 nan 0.000 0.529 28 P HA 0.206 nan 4.420 nan 0.000 0.262 28 P C 0.748 178.176 177.300 0.213 0.000 1.182 28 P CA 2.577 65.760 63.100 0.139 0.000 0.761 28 P CB 0.720 32.450 31.700 0.050 0.000 0.795 29 G N 3.060 111.955 108.800 0.159 0.000 2.213 29 G HA2 -0.226 3.740 3.960 0.010 0.000 0.236 29 G HA3 -0.226 3.740 3.960 0.010 0.000 0.236 29 G C 0.896 175.868 174.900 0.120 0.000 0.991 29 G CA -0.332 44.849 45.100 0.135 0.000 0.629 29 G HN 0.508 nan 8.290 nan 0.000 0.517 30 R N 0.372 120.964 120.500 0.153 0.000 2.600 30 R HA 0.305 4.651 4.340 0.010 0.000 0.392 30 R C 2.066 178.450 176.300 0.141 0.000 1.032 30 R CA 0.717 56.869 56.100 0.086 0.000 1.139 30 R CB 0.063 30.284 30.300 -0.133 0.000 1.400 30 R HN 0.377 nan 8.270 nan 0.000 0.566 31 G N 1.128 110.008 108.800 0.133 0.000 2.418 31 G HA2 -0.299 3.667 3.960 0.010 0.000 0.217 31 G HA3 -0.299 3.667 3.960 0.010 0.000 0.217 31 G C 1.264 176.218 174.900 0.090 0.000 1.158 31 G CA 0.777 45.947 45.100 0.117 0.000 0.771 31 G HN 0.399 nan 8.290 nan 0.000 0.545 32 E N -0.646 119.605 120.200 0.085 0.000 2.051 32 E HA -0.220 4.136 4.350 0.010 0.000 0.192 32 E C 2.098 178.712 176.600 0.022 0.000 0.991 32 E CA 0.995 57.426 56.400 0.053 0.000 0.799 32 E CB -0.383 29.361 29.700 0.073 0.000 0.748 32 E HN 0.485 nan 8.360 nan 0.000 0.449 33 Y N 1.404 121.690 120.300 -0.023 0.000 2.097 33 Y HA -0.231 4.326 4.550 0.011 0.000 0.282 33 Y C 2.022 177.882 175.900 -0.067 0.000 1.152 33 Y CA 2.133 60.212 58.100 -0.035 0.000 1.136 33 Y CB -0.330 38.112 38.460 -0.030 0.000 0.975 33 Y HN 0.047 nan 8.280 nan 0.000 0.498 34 I N -0.621 119.886 120.570 -0.105 0.000 2.226 34 I HA -0.343 3.834 4.170 0.010 0.000 0.245 34 I C 2.266 178.342 176.117 -0.069 0.000 1.100 34 I CA 1.831 63.050 61.300 -0.135 0.000 1.374 34 I CB -0.816 37.212 38.000 0.047 0.000 1.057 34 I HN 0.232 nan 8.210 nan 0.000 0.413 35 T N 0.296 114.842 114.554 -0.013 0.000 2.665 35 T HA -0.215 4.141 4.350 0.010 0.000 0.268 35 T C 1.907 176.501 174.700 -0.177 0.000 1.035 35 T CA 1.314 63.420 62.100 0.010 0.000 1.151 35 T CB -0.170 68.683 68.868 -0.027 0.000 0.862 35 T HN 0.312 nan 8.240 nan 0.000 0.438 36 Q N 0.372 119.894 119.800 -0.463 0.000 2.049 36 Q HA 0.053 4.399 4.340 0.010 0.000 0.198 36 Q C 2.701 178.150 176.000 -0.918 0.000 0.971 36 Q CA 0.887 56.100 55.803 -0.984 0.000 0.833 36 Q CB -0.997 26.574 28.738 -1.946 0.000 0.896 36 Q HN 0.412 nan 8.270 nan 0.000 0.434 37 V N 0.070 119.566 119.914 -0.696 0.000 2.427 37 V HA -0.180 3.947 4.120 0.010 0.000 0.248 37 V C 1.907 177.925 176.094 -0.126 0.000 1.051 37 V CA 1.325 63.450 62.300 -0.291 0.000 1.048 37 V CB -0.607 30.989 31.823 -0.379 0.000 0.666 37 V HN 0.385 nan 8.190 nan 0.000 0.456 38 W N 1.898 123.001 121.300 -0.329 0.000 2.355 38 W HA -0.199 4.466 4.660 0.009 0.000 0.309 38 W C 2.677 179.000 176.519 -0.327 0.000 1.206 38 W CA 2.179 59.352 57.345 -0.287 0.000 1.284 38 W CB -0.613 28.730 29.460 -0.195 0.000 1.145 38 W HN 0.167 nan 8.180 nan 0.000 0.502 39 R N 0.944 121.356 120.500 -0.147 0.000 2.081 39 R HA -0.213 4.133 4.340 0.010 0.000 0.235 39 R C 2.221 178.391 176.300 -0.216 0.000 1.131 39 R CA 2.373 58.332 56.100 -0.234 0.000 0.960 39 R CB -1.328 28.902 30.300 -0.117 0.000 0.856 39 R HN 0.206 nan 8.270 nan 0.000 0.436 40 Q N 0.579 120.297 119.800 -0.136 0.000 2.030 40 Q HA -0.124 4.223 4.340 0.010 0.000 0.204 40 Q C 1.572 177.383 176.000 -0.314 0.000 0.986 40 Q CA 2.007 57.752 55.803 -0.097 0.000 0.843 40 Q CB -0.100 28.727 28.738 0.148 0.000 0.904 40 Q HN 0.155 nan 8.270 nan 0.000 0.420 41 K N 0.170 120.333 120.400 -0.395 0.000 2.148 41 K HA -0.140 4.186 4.320 0.010 0.000 0.204 41 K C 1.989 178.066 176.600 -0.872 0.000 1.050 41 K CA 1.223 57.056 56.287 -0.756 0.000 0.942 41 K CB -0.228 31.734 32.500 -0.897 0.000 0.724 41 K HN 0.506 nan 8.250 nan 0.000 0.446 42 Q N 0.834 120.262 119.800 -0.620 0.000 2.061 42 Q HA -0.141 4.206 4.340 0.010 0.000 0.204 42 Q C 2.181 177.805 176.000 -0.627 0.000 0.984 42 Q CA 1.286 56.704 55.803 -0.641 0.000 0.846 42 Q CB -0.044 28.276 28.738 -0.698 0.000 0.902 42 Q HN 0.235 nan 8.270 nan 0.000 0.421 43 L N 0.381 121.202 121.223 -0.668 0.000 1.994 43 L HA -0.210 4.136 4.340 0.010 0.000 0.208 43 L C 2.458 178.392 176.870 -1.561 0.000 1.071 43 L CA 1.571 55.748 54.840 -1.105 0.000 0.745 43 L CB -0.521 40.873 42.059 -1.107 0.000 0.892 43 L HN 0.306 nan 8.230 nan 0.000 0.431 44 E N -0.619 118.958 120.200 -1.038 0.000 2.085 44 E HA -0.249 4.107 4.350 0.010 0.000 0.194 44 E C 2.180 178.692 176.600 -0.148 0.000 0.994 44 E CA 1.464 57.572 56.400 -0.488 0.000 0.801 44 E CB -0.152 29.433 29.700 -0.190 0.000 0.743 44 E HN 0.435 nan 8.360 nan 0.000 0.453 45 Y N 0.837 120.879 120.300 -0.429 0.000 2.293 45 Y HA -0.147 4.410 4.550 0.011 0.000 0.291 45 Y C 2.838 178.549 175.900 -0.314 0.000 1.137 45 Y CA 1.031 58.943 58.100 -0.314 0.000 1.202 45 Y CB -0.977 37.284 38.460 -0.331 0.000 0.990 45 Y HN 0.082 nan 8.280 nan 0.000 0.537 46 S N -1.002 114.477 115.700 -0.368 0.000 2.368 46 S HA -0.171 4.305 4.470 0.010 0.000 0.224 46 S C 1.865 176.470 174.600 0.010 0.000 1.029 46 S CA 1.074 58.937 58.200 -0.562 0.000 0.988 46 S CB -0.851 61.818 63.200 -0.885 0.000 0.838 46 S HN 0.410 nan 8.310 nan 0.000 0.462 47 W N 1.703 122.992 121.300 -0.018 0.000 2.379 47 W HA 0.222 4.887 4.660 0.009 0.000 0.307 47 W C 2.309 178.876 176.519 0.080 0.000 1.200 47 W CA -0.056 57.318 57.345 0.049 0.000 1.297 47 W CB -1.347 28.093 29.460 -0.034 0.000 1.140 47 W HN 0.337 nan 8.180 nan 0.000 0.507 48 L N -0.204 121.180 121.223 0.269 0.000 2.072 48 L HA -0.096 4.250 4.340 0.010 0.000 0.205 48 L C 2.731 179.674 176.870 0.122 0.000 1.079 48 L CA 1.138 56.073 54.840 0.158 0.000 0.752 48 L CB -0.790 41.317 42.059 0.080 0.000 0.906 48 L HN -0.133 nan 8.230 nan 0.000 0.436 49 R N -0.035 120.534 120.500 0.116 0.000 2.081 49 R HA -0.162 4.184 4.340 0.010 0.000 0.235 49 R C 2.423 178.856 176.300 0.221 0.000 1.131 49 R CA 1.474 57.652 56.100 0.130 0.000 0.960 49 R CB -0.449 29.930 30.300 0.132 0.000 0.856 49 R HN 0.363 nan 8.270 nan 0.000 0.436 50 A N 0.906 123.931 122.820 0.342 0.000 1.877 50 A HA -0.159 4.167 4.320 0.010 0.000 0.216 50 A C 2.023 179.752 177.584 0.242 0.000 1.186 50 A CA 1.058 53.298 52.037 0.339 0.000 0.620 50 A CB -0.460 18.811 19.000 0.452 0.000 0.822 50 A HN 0.226 nan 8.150 nan 0.000 0.443 51 L N -0.741 120.614 121.223 0.220 0.000 2.141 51 L HA -0.002 4.344 4.340 0.010 0.000 0.209 51 L C 2.371 179.308 176.870 0.111 0.000 1.094 51 L CA 1.628 56.561 54.840 0.155 0.000 0.763 51 L CB -0.428 41.707 42.059 0.126 0.000 0.908 51 L HN 0.403 nan 8.230 nan 0.000 0.437 52 M N -1.209 118.453 119.600 0.103 0.000 2.476 52 M HA 0.075 4.561 4.480 0.010 0.000 0.262 52 M C 1.281 177.626 176.300 0.075 0.000 1.079 52 M CA 0.993 56.335 55.300 0.071 0.000 1.104 52 M CB -0.368 32.262 32.600 0.050 0.000 1.409 52 M HN 0.478 nan 8.290 nan 0.000 0.467 53 G N 1.707 110.568 108.800 0.102 0.000 2.198 53 G HA2 -0.221 3.745 3.960 0.010 0.000 0.257 53 G HA3 -0.221 3.745 3.960 0.010 0.000 0.257 53 G C -0.210 174.745 174.900 0.091 0.000 1.042 53 G CA -0.163 44.992 45.100 0.093 0.000 0.791 53 G HN 0.346 nan 8.290 nan 0.000 0.502 54 R N -0.472 120.092 120.500 0.107 0.000 2.748 54 R HA 0.248 4.594 4.340 0.010 0.000 0.283 54 R C -0.120 176.259 176.300 0.131 0.000 1.507 54 R CA -1.048 55.109 56.100 0.094 0.000 1.666 54 R CB -0.026 30.303 30.300 0.047 0.000 1.237 54 R HN 0.450 nan 8.270 nan 0.000 0.633 55 Y N 1.046 121.371 120.300 0.041 0.000 2.511 55 Y HA 0.280 4.837 4.550 0.011 0.000 0.332 55 Y C -0.273 175.670 175.900 0.072 0.000 1.177 55 Y CA -0.075 58.054 58.100 0.049 0.000 1.422 55 Y CB 0.762 39.183 38.460 -0.065 0.000 1.271 55 Y HN 0.511 nan 8.280 nan 0.000 0.550 56 A N 5.130 127.606 122.820 -0.574 0.000 2.475 56 A HA 0.450 4.777 4.320 0.010 0.000 0.301 56 A C -1.137 176.040 177.584 -0.679 0.000 1.059 56 A CA -0.659 51.130 52.037 -0.414 0.000 0.710 56 A CB 0.708 19.626 19.000 -0.137 0.000 1.288 56 A HN 0.828 nan 8.150 nan 0.000 0.408 57 D N 0.037 120.280 120.400 -0.261 0.000 2.363 57 D HA 0.096 4.742 4.640 0.010 0.000 0.240 57 D C 0.477 176.977 176.300 0.333 0.000 1.236 57 D CA -0.359 53.685 54.000 0.074 0.000 0.927 57 D CB 0.150 41.123 40.800 0.288 0.000 1.150 57 D HN 0.287 nan 8.370 nan 0.000 0.458 58 F N -0.542 119.622 119.950 0.356 0.000 2.408 58 F HA 0.004 4.537 4.527 0.010 0.000 0.300 58 F C 1.608 177.496 175.800 0.147 0.000 1.090 58 F CA 0.451 58.578 58.000 0.212 0.000 1.427 58 F CB -0.129 39.030 39.000 0.265 0.000 1.070 58 F HN 0.580 nan 8.300 nan 0.000 0.549 59 W N -0.129 121.225 121.300 0.089 0.000 2.409 59 W HA -0.172 4.495 4.660 0.011 0.000 0.299 59 W C 2.100 178.579 176.519 -0.066 0.000 1.203 59 W CA 1.412 58.754 57.345 -0.005 0.000 1.298 59 W CB -0.315 29.181 29.460 0.060 0.000 1.127 59 W HN -0.127 nan 8.180 nan 0.000 0.528 60 S N 0.849 116.500 115.700 -0.081 0.000 2.355 60 S HA -0.182 4.294 4.470 0.010 0.000 0.222 60 S C 1.782 176.226 174.600 -0.260 0.000 1.031 60 S CA 1.544 59.621 58.200 -0.205 0.000 0.993 60 S CB -0.773 62.382 63.200 -0.075 0.000 0.859 60 S HN 0.105 nan 8.310 nan 0.000 0.453 61 V N 1.935 121.700 119.914 -0.248 0.000 2.282 61 V HA -0.230 3.896 4.120 0.010 0.000 0.249 61 V C 2.549 178.370 176.094 -0.454 0.000 1.057 61 V CA 2.250 64.353 62.300 -0.328 0.000 1.032 61 V CB -1.383 30.156 31.823 -0.473 0.000 0.645 61 V HN 0.518 nan 8.190 nan 0.000 0.447 62 T N -0.569 113.586 114.554 -0.666 0.000 2.720 62 T HA -0.208 4.148 4.350 0.010 0.000 0.268 62 T C 2.056 176.574 174.700 -0.302 0.000 1.037 62 T CA 1.577 63.312 62.100 -0.609 0.000 1.144 62 T CB -0.240 68.204 68.868 -0.706 0.000 0.864 62 T HN 0.429 nan 8.240 nan 0.000 0.444 63 R N 0.734 120.955 120.500 -0.465 0.000 2.073 63 R HA -0.017 4.329 4.340 0.010 0.000 0.229 63 R C 2.570 178.721 176.300 -0.249 0.000 1.120 63 R CA 1.208 57.062 56.100 -0.410 0.000 0.967 63 R CB -0.134 29.841 30.300 -0.542 0.000 0.862 63 R HN 0.542 nan 8.270 nan 0.000 0.436 64 E N 0.568 120.662 120.200 -0.177 0.000 2.077 64 E HA -0.168 4.188 4.350 0.010 0.000 0.193 64 E C 2.037 178.673 176.600 0.060 0.000 0.989 64 E CA 1.182 57.568 56.400 -0.024 0.000 0.800 64 E CB -0.111 29.609 29.700 0.034 0.000 0.746 64 E HN 0.339 nan 8.360 nan 0.000 0.452 65 A N 1.237 124.020 122.820 -0.061 0.000 1.933 65 A HA -0.165 4.161 4.320 0.010 0.000 0.218 65 A C 2.173 179.628 177.584 -0.216 0.000 1.175 65 A CA 1.048 52.939 52.037 -0.243 0.000 0.628 65 A CB -0.478 18.334 19.000 -0.312 0.000 0.814 65 A HN 0.224 nan 8.150 nan 0.000 0.444 66 L N -0.307 120.668 121.223 -0.414 0.000 2.056 66 L HA 0.001 4.347 4.340 0.010 0.000 0.207 66 L C 2.645 179.273 176.870 -0.405 0.000 1.078 66 L CA 2.116 56.456 54.840 -0.833 0.000 0.749 66 L CB -0.820 40.597 42.059 -1.070 0.000 0.901 66 L HN 0.326 nan 8.230 nan 0.000 0.433 67 A N -1.215 121.466 122.820 -0.231 0.000 1.908 67 A HA -0.304 4.022 4.320 0.010 0.000 0.218 67 A C 2.321 179.858 177.584 -0.078 0.000 1.181 67 A CA 1.926 53.880 52.037 -0.139 0.000 0.627 67 A CB -1.282 17.666 19.000 -0.087 0.000 0.818 67 A HN 0.647 nan 8.150 nan 0.000 0.445 68 Y N 1.279 121.513 120.300 -0.109 0.000 2.128 68 Y HA -0.219 4.336 4.550 0.009 0.000 0.284 68 Y C 2.671 178.517 175.900 -0.091 0.000 1.154 68 Y CA 2.477 60.543 58.100 -0.056 0.000 1.149 68 Y CB -0.759 37.703 38.460 0.004 0.000 0.976 68 Y HN 0.312 nan 8.280 nan 0.000 0.505 69 T N 1.347 115.928 114.554 0.045 0.000 2.708 69 T HA -0.197 4.160 4.350 0.010 0.000 0.266 69 T C 1.997 176.643 174.700 -0.091 0.000 1.037 69 T CA 1.905 63.990 62.100 -0.025 0.000 1.146 69 T CB -0.559 68.236 68.868 -0.123 0.000 0.865 69 T HN 0.327 nan 8.240 nan 0.000 0.435 70 L N 0.620 121.754 121.223 -0.148 0.000 2.141 70 L HA 0.047 4.393 4.340 0.010 0.000 0.209 70 L C 2.988 179.780 176.870 -0.130 0.000 1.094 70 L CA 1.060 55.827 54.840 -0.120 0.000 0.763 70 L CB -0.918 41.041 42.059 -0.167 0.000 0.908 70 L HN 0.353 nan 8.230 nan 0.000 0.437 71 G N 0.111 108.801 108.800 -0.184 0.000 2.422 71 G HA2 -0.282 3.685 3.960 0.010 0.000 0.218 71 G HA3 -0.282 3.685 3.960 0.010 0.000 0.218 71 G C 1.711 176.487 174.900 -0.207 0.000 1.146 71 G CA 1.278 46.258 45.100 -0.201 0.000 0.769 71 G HN 0.455 nan 8.290 nan 0.000 0.547 72 T N -0.314 114.096 114.554 -0.241 0.000 2.881 72 T HA 0.022 4.379 4.350 0.010 0.000 0.270 72 T C 2.219 176.845 174.700 -0.123 0.000 1.068 72 T CA 0.865 62.861 62.100 -0.174 0.000 1.131 72 T CB -0.233 68.595 68.868 -0.066 0.000 0.871 72 T HN 0.204 nan 8.240 nan 0.000 0.479 73 L N 0.537 121.691 121.223 -0.114 0.000 2.591 73 L HA 0.362 4.708 4.340 0.010 0.000 0.228 73 L C 2.031 178.869 176.870 -0.055 0.000 1.133 73 L CA 0.455 55.204 54.840 -0.152 0.000 0.880 73 L CB -0.442 41.475 42.059 -0.236 0.000 1.033 73 L HN 0.629 nan 8.230 nan 0.000 0.450 74 G N 0.157 108.919 108.800 -0.064 0.000 2.141 74 G HA2 -0.230 3.736 3.960 0.010 0.000 0.231 74 G HA3 -0.230 3.736 3.960 0.010 0.000 0.231 74 G C 0.121 174.995 174.900 -0.043 0.000 0.984 74 G CA -0.274 44.799 45.100 -0.046 0.000 0.660 74 G HN 0.196 nan 8.290 nan 0.000 0.525 75 L N -0.195 120.994 121.223 -0.056 0.000 2.416 75 L HA 0.727 5.073 4.340 0.010 0.000 0.262 75 L C 0.352 177.136 176.870 -0.144 0.000 1.093 75 L CA -0.798 53.982 54.840 -0.100 0.000 0.801 75 L CB 0.977 42.965 42.059 -0.119 0.000 1.191 75 L HN -0.078 nan 8.230 nan 0.000 0.459 76 E N 1.727 121.821 120.200 -0.176 0.000 3.935 76 E HA 0.246 4.603 4.350 0.010 0.000 0.226 76 E C -2.303 174.167 176.600 -0.217 0.000 1.220 76 E CA -1.318 54.982 56.400 -0.166 0.000 1.226 76 E CB 0.521 30.151 29.700 -0.117 0.000 1.237 76 E HN 0.426 nan 8.360 nan 0.000 0.417 77 P HA 0.045 nan 4.420 nan 0.000 0.268 77 P C -0.181 177.010 177.300 -0.181 0.000 1.205 77 P CA -0.142 62.697 63.100 -0.435 0.000 0.771 77 P CB 0.946 32.178 31.700 -0.781 0.000 0.858 78 D N 1.002 121.353 120.400 -0.081 0.000 2.377 78 D HA 0.010 4.656 4.640 0.010 0.000 0.245 78 D C 1.047 177.373 176.300 0.044 0.000 1.196 78 D CA -0.412 53.583 54.000 -0.008 0.000 0.962 78 D CB 0.485 41.295 40.800 0.018 0.000 1.127 78 D HN 0.206 nan 8.370 nan 0.000 0.471 79 E N -0.011 120.206 120.200 0.028 0.000 2.118 79 E HA -0.203 4.153 4.350 0.010 0.000 0.195 79 E C 1.830 178.470 176.600 0.067 0.000 0.992 79 E CA 1.064 57.482 56.400 0.030 0.000 0.804 79 E CB -0.584 29.127 29.700 0.018 0.000 0.741 79 E HN 0.520 nan 8.360 nan 0.000 0.458 80 S N -0.000 115.749 115.700 0.083 0.000 2.368 80 S HA -0.153 4.323 4.470 0.010 0.000 0.225 80 S C 1.771 176.434 174.600 0.106 0.000 1.030 80 S CA 0.877 59.130 58.200 0.088 0.000 0.999 80 S CB -0.298 62.947 63.200 0.075 0.000 0.844 80 S HN 0.280 nan 8.310 nan 0.000 0.459 81 F N 1.912 121.851 119.950 -0.018 0.000 2.146 81 F HA 0.082 4.615 4.527 0.010 0.000 0.298 81 F C 1.743 177.513 175.800 -0.050 0.000 1.096 81 F CA 1.298 59.280 58.000 -0.030 0.000 1.275 81 F CB -0.382 38.590 39.000 -0.046 0.000 1.008 81 F HN 0.193 nan 8.300 nan 0.000 0.480 82 L N -0.200 121.179 121.223 0.261 0.000 2.027 82 L HA -0.131 4.215 4.340 0.010 0.000 0.206 82 L C 2.817 179.665 176.870 -0.037 0.000 1.074 82 L CA 1.134 56.024 54.840 0.083 0.000 0.745 82 L CB -1.266 40.781 42.059 -0.020 0.000 0.898 82 L HN 0.198 nan 8.230 nan 0.000 0.433 83 A N -0.340 122.490 122.820 0.016 0.000 1.933 83 A HA -0.269 4.057 4.320 0.010 0.000 0.218 83 A C 2.059 179.762 177.584 0.198 0.000 1.175 83 A CA 2.044 54.164 52.037 0.139 0.000 0.628 83 A CB -0.546 18.588 19.000 0.224 0.000 0.814 83 A HN 0.426 nan 8.150 nan 0.000 0.444 84 D N -0.650 119.784 120.400 0.056 0.000 2.084 84 D HA -0.158 4.489 4.640 0.010 0.000 0.196 84 D C 1.969 178.257 176.300 -0.020 0.000 0.985 84 D CA 1.687 55.685 54.000 -0.002 0.000 0.826 84 D CB -0.280 40.445 40.800 -0.125 0.000 0.978 84 D HN 0.428 nan 8.370 nan 0.000 0.456 85 M N 0.020 119.531 119.600 -0.148 0.000 2.229 85 M HA -0.064 4.422 4.480 0.010 0.000 0.264 85 M C 1.932 178.326 176.300 0.157 0.000 1.063 85 M CA 1.392 56.633 55.300 -0.098 0.000 1.114 85 M CB 0.054 32.492 32.600 -0.270 0.000 1.387 85 M HN 0.043 nan 8.290 nan 0.000 0.420 86 A N -0.156 122.766 122.820 0.169 0.000 2.121 86 A HA -0.152 4.175 4.320 0.010 0.000 0.218 86 A C 1.838 179.743 177.584 0.535 0.000 1.154 86 A CA 0.993 53.248 52.037 0.363 0.000 0.679 86 A CB -0.570 18.360 19.000 -0.116 0.000 0.795 86 A HN 0.572 nan 8.150 nan 0.000 0.458 87 Q N -0.392 119.685 119.800 0.463 0.000 2.297 87 Q HA -0.169 4.178 4.340 0.010 0.000 0.208 87 Q C 2.297 178.455 176.000 0.263 0.000 0.981 87 Q CA 1.319 57.340 55.803 0.364 0.000 0.876 87 Q CB -0.680 28.180 28.738 0.203 0.000 0.921 87 Q HN 0.710 nan 8.270 nan 0.000 0.446 88 A N -0.424 122.558 122.820 0.271 0.000 2.024 88 A HA -0.204 4.122 4.320 0.010 0.000 0.220 88 A C 1.642 179.258 177.584 0.054 0.000 1.164 88 A CA 1.132 53.266 52.037 0.161 0.000 0.643 88 A CB -0.709 18.422 19.000 0.218 0.000 0.806 88 A HN 0.356 nan 8.150 nan 0.000 0.451 89 Y N 0.337 120.666 120.300 0.049 0.000 2.571 89 Y HA -0.019 4.536 4.550 0.010 0.000 0.294 89 Y C 1.518 177.456 175.900 0.063 0.000 1.141 89 Y CA 1.074 59.152 58.100 -0.037 0.000 1.308 89 Y CB 0.174 38.545 38.460 -0.149 0.000 1.002 89 Y HN 0.349 nan 8.280 nan 0.000 0.551 90 N N -0.371 118.430 118.700 0.169 0.000 2.270 90 N HA 0.079 4.825 4.740 0.010 0.000 0.198 90 N C 0.609 176.109 175.510 -0.017 0.000 1.117 90 N CA 0.373 53.464 53.050 0.068 0.000 0.845 90 N CB 0.225 38.739 38.487 0.046 0.000 0.980 90 N HN 0.359 nan 8.380 nan 0.000 0.486 91 R N 0.128 120.614 120.500 -0.025 0.000 2.596 91 R HA 0.308 4.654 4.340 0.010 0.000 0.369 91 R C -0.117 176.148 176.300 -0.058 0.000 1.042 91 R CA -0.272 55.807 56.100 -0.035 0.000 1.120 91 R CB 0.720 31.013 30.300 -0.011 0.000 1.353 91 R HN 0.014 nan 8.270 nan 0.000 0.564 92 L N 2.495 123.655 121.223 -0.106 0.000 2.525 92 L HA 0.010 4.356 4.340 0.010 0.000 0.278 92 L C 0.943 177.853 176.870 0.066 0.000 1.218 92 L CA 0.500 55.290 54.840 -0.083 0.000 0.878 92 L CB 0.183 42.190 42.059 -0.085 0.000 1.127 92 L HN 0.159 nan 8.230 nan 0.000 0.492 93 T N 1.626 116.187 114.554 0.012 0.000 2.851 93 T HA 0.318 4.675 4.350 0.010 0.000 0.298 93 T C -2.168 172.541 174.700 0.016 0.000 0.977 93 T CA -1.611 60.500 62.100 0.019 0.000 1.126 93 T CB 0.898 69.728 68.868 -0.064 0.000 0.916 93 T HN 0.386 nan 8.240 nan 0.000 0.529 94 P HA 0.144 nan 4.420 nan 0.000 0.274 94 P C -0.558 176.613 177.300 -0.215 0.000 1.231 94 P CA -0.623 62.341 63.100 -0.228 0.000 0.790 94 P CB 0.406 31.939 31.700 -0.278 0.000 0.951 95 Y N 2.394 122.589 120.300 -0.176 0.000 2.597 95 Y HA -0.024 4.532 4.550 0.009 0.000 0.336 95 Y C -0.301 175.538 175.900 -0.101 0.000 1.216 95 Y CA -0.749 57.288 58.100 -0.104 0.000 1.463 95 Y CB -0.631 37.772 38.460 -0.095 0.000 1.303 95 Y HN 0.420 nan 8.280 nan 0.000 0.576 96 P HA -0.228 nan 4.420 nan 0.000 0.218 96 P C 0.305 177.609 177.300 0.007 0.000 1.146 96 P CA 2.020 65.137 63.100 0.027 0.000 0.820 96 P CB 0.261 31.983 31.700 0.037 0.000 0.778 97 D N -1.490 118.921 120.400 0.018 0.000 2.395 97 D HA 0.193 4.839 4.640 0.010 0.000 0.213 97 D C 1.589 177.856 176.300 -0.056 0.000 1.110 97 D CA 0.025 54.013 54.000 -0.020 0.000 0.835 97 D CB -0.437 40.353 40.800 -0.016 0.000 0.965 97 D HN 0.073 nan 8.370 nan 0.000 0.505 98 A N 1.286 124.061 122.820 -0.074 0.000 1.873 98 A HA 0.113 4.439 4.320 0.010 0.000 0.215 98 A C 2.414 179.885 177.584 -0.189 0.000 1.186 98 A CA 1.971 53.914 52.037 -0.158 0.000 0.616 98 A CB -0.888 17.980 19.000 -0.220 0.000 0.823 98 A HN 0.321 nan 8.150 nan 0.000 0.442 99 A N -0.710 122.018 122.820 -0.154 0.000 1.873 99 A HA -0.288 4.038 4.320 0.010 0.000 0.218 99 A C 2.254 179.754 177.584 -0.140 0.000 1.193 99 A CA 2.053 53.998 52.037 -0.154 0.000 0.629 99 A CB -0.784 18.151 19.000 -0.108 0.000 0.826 99 A HN 0.669 nan 8.150 nan 0.000 0.447 100 Q N -0.730 119.010 119.800 -0.101 0.000 2.061 100 Q HA -0.250 4.096 4.340 0.010 0.000 0.204 100 Q C 2.310 178.257 176.000 -0.088 0.000 0.984 100 Q CA 2.182 57.936 55.803 -0.082 0.000 0.846 100 Q CB -0.539 28.164 28.738 -0.058 0.000 0.902 100 Q HN 0.750 nan 8.270 nan 0.000 0.421 101 C N 0.380 119.626 119.300 -0.091 0.000 2.393 101 C HA -0.175 4.291 4.460 0.010 0.000 0.276 101 C C 2.634 177.568 174.990 -0.093 0.000 1.215 101 C CA 1.185 60.160 59.018 -0.071 0.000 1.743 101 C CB -1.248 26.459 27.740 -0.056 0.000 2.044 101 C HN 0.659 nan 8.230 nan 0.000 0.464 102 L N 1.110 122.219 121.223 -0.189 0.000 2.079 102 L HA -0.111 4.235 4.340 0.010 0.000 0.210 102 L C 3.020 179.781 176.870 -0.182 0.000 1.081 102 L CA 1.672 56.360 54.840 -0.253 0.000 0.752 102 L CB -0.718 41.066 42.059 -0.457 0.000 0.896 102 L HN 0.526 nan 8.230 nan 0.000 0.433 103 A N 0.057 122.784 122.820 -0.155 0.000 1.877 103 A HA -0.206 4.121 4.320 0.010 0.000 0.216 103 A C 2.119 179.655 177.584 -0.081 0.000 1.186 103 A CA 1.602 53.569 52.037 -0.117 0.000 0.620 103 A CB -0.423 18.517 19.000 -0.100 0.000 0.822 103 A HN 0.486 nan 8.150 nan 0.000 0.443 104 E N -0.207 119.953 120.200 -0.066 0.000 2.347 104 E HA -0.016 4.340 4.350 0.010 0.000 0.196 104 E C 1.612 178.190 176.600 -0.036 0.000 1.008 104 E CA 0.448 56.820 56.400 -0.047 0.000 0.852 104 E CB -0.187 29.489 29.700 -0.041 0.000 0.783 104 E HN 0.601 nan 8.360 nan 0.000 0.505 105 L N 0.822 122.025 121.223 -0.033 0.000 2.341 105 L HA 0.085 4.431 4.340 0.010 0.000 0.214 105 L C 1.273 178.133 176.870 -0.016 0.000 1.115 105 L CA -0.390 54.445 54.840 -0.008 0.000 0.820 105 L CB -0.158 41.926 42.059 0.042 0.000 0.944 105 L HN 0.001 nan 8.230 nan 0.000 0.452 106 A N 1.088 123.887 122.820 -0.036 0.000 2.507 106 A HA 0.135 4.461 4.320 0.010 0.000 0.235 106 A C -1.330 176.240 177.584 -0.024 0.000 1.070 106 A CA -0.617 51.400 52.037 -0.033 0.000 0.768 106 A CB -0.397 18.574 19.000 -0.049 0.000 1.011 106 A HN 0.093 nan 8.150 nan 0.000 0.502 107 P HA 0.148 nan 4.420 nan 0.000 0.257 107 P C -0.077 177.221 177.300 -0.003 0.000 1.325 107 P CA -0.057 63.036 63.100 -0.012 0.000 0.850 107 P CB -0.122 31.572 31.700 -0.010 0.000 1.324 108 L N 0.784 122.006 121.223 -0.001 0.000 2.529 108 L HA -0.005 4.341 4.340 0.010 0.000 0.287 108 L C 1.179 178.063 176.870 0.022 0.000 1.241 108 L CA 0.186 55.031 54.840 0.009 0.000 0.857 108 L CB 0.146 42.210 42.059 0.008 0.000 1.113 108 L HN -0.120 nan 8.230 nan 0.000 0.504 109 K N 4.007 124.425 120.400 0.029 0.000 2.448 109 K HA 0.169 4.495 4.320 0.010 0.000 0.278 109 K C -0.407 176.240 176.600 0.079 0.000 1.009 109 K CA 0.322 56.638 56.287 0.048 0.000 0.995 109 K CB 0.417 32.944 32.500 0.045 0.000 0.917 109 K HN 0.482 nan 8.250 nan 0.000 0.481 110 R N 0.858 121.431 120.500 0.121 0.000 2.561 110 R HA 0.665 5.012 4.340 0.010 0.000 0.297 110 R C -0.792 175.719 176.300 0.353 0.000 0.969 110 R CA -0.652 55.587 56.100 0.232 0.000 0.879 110 R CB 2.057 32.453 30.300 0.160 0.000 1.178 110 R HN 0.699 nan 8.270 nan 0.000 0.445 111 A N 3.051 126.103 122.820 0.386 0.000 2.593 111 A HA 0.710 5.036 4.320 0.010 0.000 0.290 111 A C -1.257 176.394 177.584 0.112 0.000 1.126 111 A CA -0.730 51.455 52.037 0.246 0.000 0.695 111 A CB 1.371 20.441 19.000 0.116 0.000 1.290 111 A HN 0.612 nan 8.150 nan 0.000 0.414 112 I N 0.569 121.044 120.570 -0.158 0.000 2.404 112 I HA 0.432 4.608 4.170 0.010 0.000 0.293 112 I C -1.200 174.880 176.117 -0.061 0.000 0.992 112 I CA -0.713 60.474 61.300 -0.188 0.000 1.149 112 I CB 1.838 39.577 38.000 -0.434 0.000 1.315 112 I HN 0.513 nan 8.210 nan 0.000 0.446 113 L N 6.701 127.940 121.223 0.026 0.000 2.316 113 L HA 0.583 4.929 4.340 0.010 0.000 0.280 113 L C -0.529 176.399 176.870 0.096 0.000 1.006 113 L CA 0.351 55.254 54.840 0.105 0.000 0.836 113 L CB 1.320 43.561 42.059 0.303 0.000 1.221 113 L HN 0.574 nan 8.230 nan 0.000 0.418 114 S N 3.212 118.926 115.700 0.023 0.000 2.569 114 S HA 0.474 4.950 4.470 0.010 0.000 0.280 114 S C 0.534 175.146 174.600 0.020 0.000 1.111 114 S CA -0.730 57.472 58.200 0.004 0.000 0.887 114 S CB 1.288 64.416 63.200 -0.121 0.000 1.095 114 S HN 0.679 nan 8.310 nan 0.000 0.476 115 N N 1.953 120.648 118.700 -0.008 0.000 2.289 115 N HA 0.021 4.767 4.740 0.010 0.000 0.184 115 N C 1.096 176.564 175.510 -0.070 0.000 1.016 115 N CA 0.971 53.997 53.050 -0.039 0.000 0.872 115 N CB -0.868 37.335 38.487 -0.473 0.000 0.973 115 N HN 0.769 nan 8.380 nan 0.000 0.433 116 G N 0.381 109.156 108.800 -0.042 0.000 2.368 116 G HA2 0.273 4.239 3.960 0.010 0.000 0.233 116 G HA3 0.273 4.239 3.960 0.010 0.000 0.233 116 G C 0.165 175.235 174.900 0.284 0.000 1.267 116 G CA 0.191 45.468 45.100 0.295 0.000 0.873 116 G HN 0.342 nan 8.290 nan 0.000 0.539 117 A N 4.215 127.266 122.820 0.385 0.000 2.406 117 A HA 0.474 4.800 4.320 0.010 0.000 0.243 117 A C -0.478 177.195 177.584 0.148 0.000 1.082 117 A CA -0.658 51.542 52.037 0.272 0.000 0.786 117 A CB 0.382 19.558 19.000 0.292 0.000 1.029 117 A HN 0.493 nan 8.150 nan 0.000 0.495 118 P HA -0.181 nan 4.420 nan 0.000 0.216 118 P C 0.537 177.842 177.300 0.010 0.000 1.157 118 P CA 1.715 64.838 63.100 0.037 0.000 0.880 118 P CB 0.117 31.833 31.700 0.028 0.000 0.791 119 D N -1.638 118.758 120.400 -0.007 0.000 2.144 119 D HA -0.080 4.566 4.640 0.010 0.000 0.200 119 D C 1.949 178.206 176.300 -0.071 0.000 0.978 119 D CA 1.111 55.075 54.000 -0.060 0.000 0.833 119 D CB -0.545 40.185 40.800 -0.117 0.000 0.961 119 D HN 0.214 nan 8.370 nan 0.000 0.470 120 M N 0.096 119.682 119.600 -0.023 0.000 2.086 120 M HA -0.124 4.362 4.480 0.010 0.000 0.261 120 M C 2.317 178.628 176.300 0.018 0.000 1.067 120 M CA 1.173 56.494 55.300 0.034 0.000 1.116 120 M CB -0.249 32.492 32.600 0.235 0.000 1.348 120 M HN -0.006 nan 8.290 nan 0.000 0.407 121 L N 0.043 121.272 121.223 0.010 0.000 2.017 121 L HA -0.248 4.098 4.340 0.010 0.000 0.208 121 L C 2.783 179.601 176.870 -0.087 0.000 1.073 121 L CA 1.591 56.386 54.840 -0.075 0.000 0.745 121 L CB -0.958 41.057 42.059 -0.073 0.000 0.894 121 L HN 0.456 nan 8.230 nan 0.000 0.432 122 Q N 0.133 119.901 119.800 -0.052 0.000 2.119 122 Q HA -0.139 4.207 4.340 0.010 0.000 0.201 122 Q C 2.236 178.211 176.000 -0.041 0.000 0.972 122 Q CA 1.419 57.199 55.803 -0.038 0.000 0.847 122 Q CB -0.455 28.268 28.738 -0.025 0.000 0.903 122 Q HN 0.399 nan 8.270 nan 0.000 0.433 123 A N 1.333 124.120 122.820 -0.056 0.000 1.930 123 A HA -0.114 4.212 4.320 0.010 0.000 0.217 123 A C 2.106 179.650 177.584 -0.067 0.000 1.175 123 A CA 1.247 53.249 52.037 -0.057 0.000 0.627 123 A CB -0.561 18.395 19.000 -0.074 0.000 0.815 123 A HN 0.396 nan 8.150 nan 0.000 0.443 124 L N -0.250 120.905 121.223 -0.114 0.000 2.027 124 L HA -0.068 4.278 4.340 0.010 0.000 0.206 124 L C 2.344 179.107 176.870 -0.178 0.000 1.074 124 L CA 1.821 56.525 54.840 -0.226 0.000 0.745 124 L CB -0.385 41.426 42.059 -0.414 0.000 0.898 124 L HN 0.135 nan 8.230 nan 0.000 0.433 125 V N 0.023 119.883 119.914 -0.091 0.000 2.358 125 V HA -0.214 3.912 4.120 0.010 0.000 0.246 125 V C 2.770 178.926 176.094 0.104 0.000 1.047 125 V CA 1.444 63.800 62.300 0.094 0.000 1.035 125 V CB -1.276 30.602 31.823 0.092 0.000 0.658 125 V HN 0.585 nan 8.190 nan 0.000 0.452 126 A N 0.851 123.697 122.820 0.043 0.000 1.858 126 A HA -0.300 4.026 4.320 0.010 0.000 0.216 126 A C 2.072 179.677 177.584 0.035 0.000 1.190 126 A CA 2.331 54.389 52.037 0.036 0.000 0.617 126 A CB -0.947 18.060 19.000 0.011 0.000 0.827 126 A HN 0.617 nan 8.150 nan 0.000 0.443 127 N N 0.171 118.883 118.700 0.020 0.000 2.272 127 N HA -0.070 4.676 4.740 0.010 0.000 0.185 127 N C 1.262 176.802 175.510 0.050 0.000 1.014 127 N CA 1.650 54.712 53.050 0.021 0.000 0.870 127 N CB -0.268 38.220 38.487 0.002 0.000 0.975 127 N HN 0.362 nan 8.380 nan 0.000 0.433 128 A N -0.926 121.952 122.820 0.097 0.000 2.308 128 A HA 0.442 4.768 4.320 0.010 0.000 0.217 128 A C 1.297 178.932 177.584 0.085 0.000 1.216 128 A CA 0.350 52.467 52.037 0.133 0.000 0.864 128 A CB -0.711 18.471 19.000 0.303 0.000 0.902 128 A HN 0.432 nan 8.150 nan 0.000 0.499 129 G N -0.447 108.393 108.800 0.066 0.000 2.273 129 G HA2 -0.229 3.738 3.960 0.010 0.000 0.280 129 G HA3 -0.229 3.738 3.960 0.010 0.000 0.280 129 G C 0.354 175.272 174.900 0.031 0.000 1.047 129 G CA 0.628 45.750 45.100 0.037 0.000 0.869 129 G HN 0.578 nan 8.290 nan 0.000 0.502 130 L N -0.276 120.996 121.223 0.082 0.000 2.959 130 L HA 0.140 4.487 4.340 0.010 0.000 0.259 130 L C 2.369 179.303 176.870 0.107 0.000 1.185 130 L CA 0.512 55.385 54.840 0.056 0.000 0.998 130 L CB 0.061 42.213 42.059 0.155 0.000 1.337 130 L HN 0.240 nan 8.230 nan 0.000 0.555 131 T N -0.555 114.067 114.554 0.114 0.000 2.737 131 T HA -0.183 4.173 4.350 0.010 0.000 0.269 131 T C 1.094 175.846 174.700 0.088 0.000 1.040 131 T CA 1.547 63.727 62.100 0.134 0.000 1.142 131 T CB -0.103 68.810 68.868 0.075 0.000 0.861 131 T HN 0.308 nan 8.240 nan 0.000 0.456 132 D N 0.720 121.121 120.400 0.001 0.000 2.328 132 D HA 0.145 4.792 4.640 0.010 0.000 0.226 132 D C 1.367 177.593 176.300 -0.123 0.000 1.066 132 D CA 0.185 54.164 54.000 -0.036 0.000 0.861 132 D CB 0.124 40.901 40.800 -0.038 0.000 0.912 132 D HN 0.286 nan 8.370 nan 0.000 0.521 133 S N -0.156 115.387 115.700 -0.262 0.000 2.575 133 S HA 0.136 4.613 4.470 0.010 0.000 0.215 133 S C 0.121 174.258 174.600 -0.771 0.000 0.966 133 S CA -0.151 57.713 58.200 -0.560 0.000 0.911 133 S CB 0.305 63.020 63.200 -0.808 0.000 0.780 133 S HN 0.062 nan 8.310 nan 0.000 0.514 134 F N 1.025 120.959 119.950 -0.026 0.000 2.551 134 F HA 0.425 4.958 4.527 0.010 0.000 0.316 134 F C 0.732 176.534 175.800 0.003 0.000 1.089 134 F CA -1.539 56.455 58.000 -0.010 0.000 0.915 134 F CB 1.232 40.228 39.000 -0.007 0.000 1.186 134 F HN -0.124 nan 8.300 nan 0.000 0.456 135 D N 1.511 122.034 120.400 0.204 0.000 2.289 135 D HA 0.236 4.882 4.640 0.010 0.000 0.207 135 D C 0.265 176.635 176.300 0.118 0.000 0.966 135 D CA 0.835 54.909 54.000 0.122 0.000 0.868 135 D CB 0.551 41.407 40.800 0.093 0.000 0.943 135 D HN 0.440 nan 8.370 nan 0.000 0.514 136 A N 0.031 122.938 122.820 0.145 0.000 2.577 136 A HA 0.461 4.788 4.320 0.010 0.000 0.297 136 A C -1.380 176.218 177.584 0.023 0.000 1.060 136 A CA -0.560 51.524 52.037 0.079 0.000 0.697 136 A CB 1.665 20.700 19.000 0.058 0.000 1.281 136 A HN -0.112 nan 8.150 nan 0.000 0.402 137 V N 3.425 123.323 119.914 -0.028 0.000 2.284 137 V HA 0.341 4.467 4.120 0.010 0.000 0.274 137 V C -0.426 175.627 176.094 -0.068 0.000 1.023 137 V CA -0.036 62.190 62.300 -0.123 0.000 0.808 137 V CB 0.663 32.397 31.823 -0.148 0.000 1.035 137 V HN 0.663 nan 8.190 nan 0.000 0.445 138 I N 3.510 124.048 120.570 -0.055 0.000 2.315 138 I HA 0.361 4.537 4.170 0.010 0.000 0.291 138 I C 0.642 176.745 176.117 -0.022 0.000 1.006 138 I CA 0.192 61.479 61.300 -0.021 0.000 1.265 138 I CB 1.548 39.551 38.000 0.005 0.000 1.387 138 I HN 0.554 nan 8.210 nan 0.000 0.475 139 S N 4.579 120.271 115.700 -0.013 0.000 2.585 139 S HA 0.258 4.735 4.470 0.010 0.000 0.277 139 S C 1.062 175.652 174.600 -0.017 0.000 1.241 139 S CA -0.868 57.335 58.200 0.005 0.000 1.041 139 S CB 1.681 64.900 63.200 0.033 0.000 0.987 139 S HN 0.505 nan 8.310 nan 0.000 0.512 140 V N 1.812 121.717 119.914 -0.015 0.000 3.217 140 V HA 0.069 4.195 4.120 0.010 0.000 0.264 140 V C 1.676 177.671 176.094 -0.165 0.000 1.135 140 V CA 1.766 64.010 62.300 -0.093 0.000 1.142 140 V CB -1.173 30.597 31.823 -0.087 0.000 0.754 140 V HN 0.903 nan 8.190 nan 0.000 0.484 141 D N 1.940 122.298 120.400 -0.069 0.000 2.149 141 D HA -0.218 4.428 4.640 0.010 0.000 0.194 141 D C 2.139 178.305 176.300 -0.223 0.000 1.001 141 D CA 2.041 55.990 54.000 -0.085 0.000 0.849 141 D CB -0.212 40.632 40.800 0.073 0.000 0.939 141 D HN 0.545 nan 8.370 nan 0.000 0.449 142 A N 0.047 122.778 122.820 -0.148 0.000 1.978 142 A HA -0.188 4.138 4.320 0.010 0.000 0.220 142 A C 2.012 179.467 177.584 -0.215 0.000 1.170 142 A CA 1.405 53.356 52.037 -0.144 0.000 0.636 142 A CB -0.330 18.617 19.000 -0.088 0.000 0.810 142 A HN 0.114 nan 8.150 nan 0.000 0.448 143 K N -1.212 119.022 120.400 -0.276 0.000 2.400 143 K HA 0.091 4.418 4.320 0.010 0.000 0.194 143 K C 0.091 176.395 176.600 -0.494 0.000 1.033 143 K CA 0.237 56.336 56.287 -0.313 0.000 1.021 143 K CB 0.056 32.392 32.500 -0.273 0.000 0.808 143 K HN 0.555 nan 8.250 nan 0.000 0.505 144 R N 0.441 120.466 120.500 -0.792 0.000 3.416 144 R HA -0.151 4.196 4.340 0.010 0.000 0.263 144 R C 0.065 175.729 176.300 -1.059 0.000 1.053 144 R CA 0.701 55.901 56.100 -1.501 0.000 0.705 144 R CB -2.343 27.418 30.300 -0.898 0.000 1.124 144 R HN 0.187 nan 8.270 nan 0.000 0.444 145 V N -4.216 115.236 119.914 -0.771 0.000 3.156 145 V HA 0.897 5.023 4.120 0.010 0.000 0.310 145 V C -0.447 175.436 176.094 -0.352 0.000 1.234 145 V CA -1.096 60.965 62.300 -0.399 0.000 1.065 145 V CB 2.250 33.734 31.823 -0.565 0.000 1.088 145 V HN -0.022 nan 8.190 nan 0.000 0.451 146 F N -0.075 119.995 119.950 0.199 0.000 2.593 146 F HA 0.660 5.194 4.527 0.011 0.000 0.320 146 F C 0.546 176.482 175.800 0.226 0.000 1.060 146 F CA -1.013 57.123 58.000 0.226 0.000 0.940 146 F CB 1.942 41.115 39.000 0.288 0.000 1.268 146 F HN 0.478 nan 8.300 nan 0.000 0.475 147 K N 2.707 123.369 120.400 0.436 0.000 2.414 147 K HA 0.105 4.431 4.320 0.010 0.000 0.272 147 K C -1.948 175.026 176.600 0.623 0.000 0.993 147 K CA -1.042 55.467 56.287 0.369 0.000 0.964 147 K CB 0.273 32.981 32.500 0.347 0.000 0.925 147 K HN 0.276 nan 8.250 nan 0.000 0.487 148 P HA -0.032 nan 4.420 nan 0.000 0.249 148 P C -0.566 176.979 177.300 0.408 0.000 1.583 148 P CA -0.002 63.408 63.100 0.516 0.000 0.988 148 P CB 0.018 32.002 31.700 0.474 0.000 1.530 149 H N 3.586 122.779 119.070 0.205 0.000 3.034 149 H HA 0.016 4.578 4.556 0.010 0.000 0.324 149 H C -1.069 174.331 175.328 0.121 0.000 1.015 149 H CA -0.798 55.331 56.048 0.136 0.000 1.429 149 H CB 0.910 30.727 29.762 0.092 0.000 1.429 149 H HN 0.039 nan 8.280 nan 0.000 0.585 150 P HA -0.172 nan 4.420 nan 0.000 0.217 150 P C 0.822 178.253 177.300 0.218 0.000 1.148 150 P CA 1.243 64.531 63.100 0.312 0.000 0.828 150 P CB 0.451 32.310 31.700 0.265 0.000 0.783 151 D N 0.006 120.643 120.400 0.395 0.000 2.182 151 D HA -0.131 4.515 4.640 0.010 0.000 0.201 151 D C 2.276 178.524 176.300 -0.087 0.000 0.986 151 D CA 1.759 55.833 54.000 0.122 0.000 0.847 151 D CB -0.499 40.307 40.800 0.011 0.000 0.942 151 D HN 0.276 nan 8.370 nan 0.000 0.467 152 S N -0.608 114.996 115.700 -0.160 0.000 2.383 152 S HA -0.203 4.273 4.470 0.010 0.000 0.227 152 S C 1.929 176.278 174.600 -0.419 0.000 1.026 152 S CA 0.714 58.726 58.200 -0.313 0.000 0.981 152 S CB -0.788 62.182 63.200 -0.384 0.000 0.818 152 S HN 0.295 nan 8.310 nan 0.000 0.472 153 Y N 2.113 122.193 120.300 -0.367 0.000 2.395 153 Y HA 0.375 4.931 4.550 0.010 0.000 0.293 153 Y C 2.826 178.261 175.900 -0.775 0.000 1.123 153 Y CA -0.040 57.679 58.100 -0.634 0.000 1.227 153 Y CB -0.890 36.824 38.460 -1.245 0.000 1.012 153 Y HN 0.387 nan 8.280 nan 0.000 0.552 154 A N 0.074 122.542 122.820 -0.586 0.000 2.070 154 A HA -0.127 4.199 4.320 0.010 0.000 0.220 154 A C 2.126 179.729 177.584 0.031 0.000 1.159 154 A CA 1.138 53.107 52.037 -0.112 0.000 0.656 154 A CB -1.016 18.038 19.000 0.091 0.000 0.800 154 A HN 0.515 nan 8.150 nan 0.000 0.453 155 L N -0.678 120.531 121.223 -0.023 0.000 2.191 155 L HA -0.158 4.188 4.340 0.010 0.000 0.212 155 L C 2.419 179.336 176.870 0.079 0.000 1.103 155 L CA 0.731 55.582 54.840 0.019 0.000 0.769 155 L CB -0.447 41.599 42.059 -0.021 0.000 0.908 155 L HN 0.261 nan 8.230 nan 0.000 0.438 156 V N -0.205 119.794 119.914 0.142 0.000 2.295 156 V HA -0.321 3.805 4.120 0.010 0.000 0.246 156 V C 2.438 178.634 176.094 0.170 0.000 1.049 156 V CA 2.124 64.531 62.300 0.178 0.000 1.024 156 V CB -0.441 31.547 31.823 0.275 0.000 0.648 156 V HN 0.495 nan 8.190 nan 0.000 0.447 157 E N -0.121 120.214 120.200 0.224 0.000 2.106 157 E HA -0.230 4.126 4.350 0.010 0.000 0.192 157 E C 2.224 178.899 176.600 0.124 0.000 0.984 157 E CA 1.188 57.699 56.400 0.186 0.000 0.806 157 E CB -0.046 29.789 29.700 0.224 0.000 0.750 157 E HN 0.680 nan 8.360 nan 0.000 0.458 158 E N -0.368 119.899 120.200 0.111 0.000 2.118 158 E HA -0.178 4.179 4.350 0.010 0.000 0.195 158 E C 1.953 178.589 176.600 0.060 0.000 0.992 158 E CA 1.328 57.773 56.400 0.075 0.000 0.804 158 E CB 0.247 29.981 29.700 0.057 0.000 0.741 158 E HN 0.171 nan 8.360 nan 0.000 0.458 159 V N 0.213 120.165 119.914 0.063 0.000 2.949 159 V HA -0.040 4.087 4.120 0.010 0.000 0.245 159 V C 1.773 177.900 176.094 0.055 0.000 1.086 159 V CA 0.806 63.136 62.300 0.051 0.000 1.097 159 V CB 0.151 32.001 31.823 0.045 0.000 0.762 159 V HN 0.206 nan 8.190 nan 0.000 0.470 160 L N 0.004 121.267 121.223 0.067 0.000 2.638 160 L HA 0.403 4.749 4.340 0.010 0.000 0.232 160 L C 1.691 178.598 176.870 0.063 0.000 1.099 160 L CA 0.803 55.681 54.840 0.063 0.000 0.883 160 L CB 0.059 42.156 42.059 0.064 0.000 1.136 160 L HN 0.499 nan 8.230 nan 0.000 0.492 161 G N 1.666 110.509 108.800 0.071 0.000 2.198 161 G HA2 -0.253 3.713 3.960 0.010 0.000 0.260 161 G HA3 -0.253 3.713 3.960 0.010 0.000 0.260 161 G C 0.202 175.146 174.900 0.072 0.000 1.025 161 G CA 0.470 45.610 45.100 0.068 0.000 0.769 161 G HN 0.285 nan 8.290 nan 0.000 0.507 162 V N -2.006 117.960 119.914 0.088 0.000 2.667 162 V HA 0.942 5.069 4.120 0.010 0.000 0.308 162 V C 0.611 176.785 176.094 0.133 0.000 1.048 162 V CA -0.117 62.238 62.300 0.090 0.000 0.928 162 V CB 1.597 33.464 31.823 0.073 0.000 1.004 162 V HN 1.043 nan 8.190 nan 0.000 0.444 163 T N 0.780 115.410 114.554 0.128 0.000 2.882 163 T HA 0.459 4.816 4.350 0.010 0.000 0.287 163 T C -1.714 173.130 174.700 0.240 0.000 1.014 163 T CA -1.488 60.708 62.100 0.161 0.000 1.049 163 T CB 1.133 70.063 68.868 0.104 0.000 1.001 163 T HN 0.554 nan 8.240 nan 0.000 0.525 164 P HA -0.122 nan 4.420 nan 0.000 0.217 164 P C 1.621 179.142 177.300 0.368 0.000 1.151 164 P CA 1.653 65.071 63.100 0.530 0.000 0.849 164 P CB -0.279 31.552 31.700 0.219 0.000 0.787 165 A N -0.238 122.693 122.820 0.185 0.000 2.019 165 A HA -0.199 4.128 4.320 0.010 0.000 0.219 165 A C 1.744 179.398 177.584 0.116 0.000 1.164 165 A CA 1.441 53.553 52.037 0.124 0.000 0.644 165 A CB -0.962 18.080 19.000 0.069 0.000 0.805 165 A HN 0.271 nan 8.150 nan 0.000 0.449 166 E N -0.592 119.677 120.200 0.114 0.000 2.444 166 E HA 0.215 4.571 4.350 0.010 0.000 0.191 166 E C -0.860 175.770 176.600 0.051 0.000 1.041 166 E CA -0.277 56.168 56.400 0.075 0.000 0.883 166 E CB 0.473 30.212 29.700 0.065 0.000 1.024 166 E HN 0.311 nan 8.360 nan 0.000 0.470 167 V N 1.957 121.906 119.914 0.058 0.000 2.459 167 V HA 0.230 4.356 4.120 0.010 0.000 0.295 167 V C -0.603 175.466 176.094 -0.041 0.000 1.029 167 V CA -0.952 61.306 62.300 -0.069 0.000 0.874 167 V CB 1.825 33.449 31.823 -0.331 0.000 0.985 167 V HN 0.098 nan 8.190 nan 0.000 0.438 168 L N 5.616 126.792 121.223 -0.078 0.000 2.262 168 L HA 0.559 4.906 4.340 0.010 0.000 0.288 168 L C -0.827 175.957 176.870 -0.144 0.000 1.035 168 L CA 0.055 54.868 54.840 -0.044 0.000 0.820 168 L CB 0.623 42.645 42.059 -0.061 0.000 1.204 168 L HN 0.541 nan 8.230 nan 0.000 0.424 169 F N 5.230 125.066 119.950 -0.191 0.000 2.394 169 F HA 0.629 5.162 4.527 0.010 0.000 0.340 169 F C -0.447 175.249 175.800 -0.173 0.000 1.105 169 F CA -0.235 57.640 58.000 -0.208 0.000 1.124 169 F CB 1.248 40.222 39.000 -0.043 0.000 1.145 169 F HN 0.204 nan 8.300 nan 0.000 0.505 170 V N 4.853 124.295 119.914 -0.787 0.000 2.487 170 V HA 0.605 4.732 4.120 0.010 0.000 0.298 170 V C -0.643 175.233 176.094 -0.363 0.000 1.028 170 V CA -0.504 61.497 62.300 -0.498 0.000 0.860 170 V CB 1.405 32.787 31.823 -0.735 0.000 0.991 170 V HN 0.787 nan 8.190 nan 0.000 0.427 171 S N 2.412 118.074 115.700 -0.063 0.000 2.535 171 S HA 0.427 4.903 4.470 0.010 0.000 0.272 171 S C 0.437 175.065 174.600 0.046 0.000 1.149 171 S CA -0.290 57.934 58.200 0.039 0.000 0.888 171 S CB 2.294 65.616 63.200 0.203 0.000 1.110 171 S HN 0.627 nan 8.310 nan 0.000 0.463 172 S N 2.241 117.975 115.700 0.056 0.000 2.548 172 S HA 0.224 4.700 4.470 0.010 0.000 0.215 172 S C 0.272 174.922 174.600 0.083 0.000 0.976 172 S CA -0.195 58.037 58.200 0.054 0.000 0.908 172 S CB -0.149 63.078 63.200 0.046 0.000 0.781 172 S HN 0.641 nan 8.310 nan 0.000 0.519 173 N N 1.556 120.298 118.700 0.069 0.000 2.426 173 N HA 0.212 4.958 4.740 0.010 0.000 0.257 173 N C 1.111 176.601 175.510 -0.032 0.000 1.002 173 N CA -0.001 53.083 53.050 0.057 0.000 0.942 173 N CB 1.605 40.075 38.487 -0.030 0.000 1.112 173 N HN 0.257 nan 8.380 nan 0.000 0.499 174 G N 2.281 111.140 108.800 0.098 0.000 2.469 174 G HA2 -0.305 3.661 3.960 0.010 0.000 0.219 174 G HA3 -0.305 3.661 3.960 0.010 0.000 0.219 174 G C 1.176 176.110 174.900 0.056 0.000 1.150 174 G CA 0.817 45.956 45.100 0.065 0.000 0.763 174 G HN 0.667 nan 8.290 nan 0.000 0.561 175 F N 1.103 121.162 119.950 0.182 0.000 2.234 175 F HA 0.095 4.628 4.527 0.010 0.000 0.299 175 F C 1.771 177.714 175.800 0.239 0.000 1.087 175 F CA 1.278 59.413 58.000 0.223 0.000 1.340 175 F CB -0.472 38.667 39.000 0.232 0.000 1.031 175 F HN 0.149 nan 8.300 nan 0.000 0.500 176 D N 0.903 120.815 120.400 -0.813 0.000 2.137 176 D HA -0.109 4.537 4.640 0.010 0.000 0.202 176 D C 2.251 178.495 176.300 -0.092 0.000 0.970 176 D CA 1.121 54.875 54.000 -0.409 0.000 0.837 176 D CB -0.192 40.332 40.800 -0.459 0.000 0.981 176 D HN 0.153 nan 8.370 nan 0.000 0.475 177 V N 0.445 120.320 119.914 -0.064 0.000 2.282 177 V HA -0.200 3.926 4.120 0.010 0.000 0.249 177 V C 2.494 178.539 176.094 -0.081 0.000 1.057 177 V CA 2.082 64.374 62.300 -0.014 0.000 1.032 177 V CB -1.024 30.793 31.823 -0.010 0.000 0.645 177 V HN 0.376 nan 8.190 nan 0.000 0.447 178 G N -0.473 108.286 108.800 -0.069 0.000 2.408 178 G HA2 -0.122 3.844 3.960 0.010 0.000 0.217 178 G HA3 -0.122 3.844 3.960 0.010 0.000 0.217 178 G C 1.599 176.467 174.900 -0.053 0.000 1.150 178 G CA 0.883 45.950 45.100 -0.056 0.000 0.776 178 G HN 0.597 nan 8.290 nan 0.000 0.542 179 G N 1.005 109.781 108.800 -0.040 0.000 2.402 179 G HA2 0.090 4.056 3.960 0.010 0.000 0.216 179 G HA3 0.090 4.056 3.960 0.010 0.000 0.216 179 G C 2.033 176.461 174.900 -0.787 0.000 1.162 179 G CA 1.448 46.465 45.100 -0.137 0.000 0.777 179 G HN 0.606 nan 8.290 nan 0.000 0.539 180 A N 0.590 122.828 122.820 -0.970 0.000 1.930 180 A HA 0.049 4.375 4.320 0.010 0.000 0.217 180 A C 2.380 179.676 177.584 -0.480 0.000 1.175 180 A CA 1.778 53.181 52.037 -1.056 0.000 0.627 180 A CB -0.235 18.279 19.000 -0.811 0.000 0.815 180 A HN 0.191 nan 8.150 nan 0.000 0.443 181 K N 0.073 120.309 120.400 -0.275 0.000 2.057 181 K HA -0.154 4.173 4.320 0.010 0.000 0.206 181 K C 1.800 178.291 176.600 -0.182 0.000 1.050 181 K CA 1.627 57.815 56.287 -0.164 0.000 0.935 181 K CB -0.772 31.659 32.500 -0.115 0.000 0.715 181 K HN 0.600 nan 8.250 nan 0.000 0.439 182 N N 0.462 119.054 118.700 -0.179 0.000 2.149 182 N HA -0.185 4.561 4.740 0.010 0.000 0.188 182 N C 1.583 176.992 175.510 -0.169 0.000 1.019 182 N CA 1.060 54.030 53.050 -0.133 0.000 0.857 182 N CB -0.233 38.212 38.487 -0.070 0.000 0.997 182 N HN 0.108 nan 8.380 nan 0.000 0.426 183 F N -0.786 118.904 119.950 -0.434 0.000 2.293 183 F HA 0.222 4.755 4.527 0.010 0.000 0.297 183 F C 1.681 177.207 175.800 -0.456 0.000 1.089 183 F CA 1.442 59.154 58.000 -0.480 0.000 1.377 183 F CB 0.125 38.667 39.000 -0.762 0.000 1.051 183 F HN 0.161 nan 8.300 nan 0.000 0.511 184 G N -1.376 107.183 108.800 -0.403 0.000 2.273 184 G HA2 -0.148 3.818 3.960 0.010 0.000 0.162 184 G HA3 -0.148 3.818 3.960 0.010 0.000 0.162 184 G C 0.086 174.945 174.900 -0.069 0.000 1.006 184 G CA -0.370 44.555 45.100 -0.291 0.000 0.704 184 G HN 0.079 nan 8.290 nan 0.000 0.487 185 F N 2.713 122.668 119.950 0.007 0.000 2.403 185 F HA 0.594 5.127 4.527 0.010 0.000 0.320 185 F C 1.459 177.265 175.800 0.010 0.000 1.176 185 F CA -0.711 57.314 58.000 0.042 0.000 1.206 185 F CB 0.848 39.887 39.000 0.064 0.000 1.235 185 F HN 0.213 nan 8.300 nan 0.000 0.565 186 S N 0.497 116.353 115.700 0.261 0.000 2.565 186 S HA 0.693 5.169 4.470 0.010 0.000 0.274 186 S C -0.754 173.958 174.600 0.185 0.000 1.309 186 S CA -0.740 57.550 58.200 0.150 0.000 1.043 186 S CB 1.219 64.516 63.200 0.162 0.000 0.939 186 S HN 0.366 nan 8.310 nan 0.000 0.504 187 V N 1.642 121.627 119.914 0.120 0.000 2.588 187 V HA 0.750 4.876 4.120 0.010 0.000 0.304 187 V C -0.026 176.167 176.094 0.165 0.000 1.042 187 V CA -0.779 61.617 62.300 0.160 0.000 0.877 187 V CB 1.601 33.498 31.823 0.123 0.000 0.996 187 V HN 1.193 nan 8.190 nan 0.000 0.425 188 A N 4.804 127.728 122.820 0.173 0.000 2.258 188 A HA 0.733 5.059 4.320 0.010 0.000 0.316 188 A C -0.082 177.548 177.584 0.077 0.000 1.279 188 A CA -0.586 51.554 52.037 0.172 0.000 0.876 188 A CB 0.489 19.550 19.000 0.101 0.000 1.170 188 A HN 0.865 nan 8.150 nan 0.000 0.520 189 R N 2.719 123.265 120.500 0.076 0.000 2.297 189 R HA 0.508 4.854 4.340 0.010 0.000 0.308 189 R C -1.312 175.003 176.300 0.026 0.000 1.029 189 R CA -0.307 55.819 56.100 0.044 0.000 0.929 189 R CB 0.874 31.195 30.300 0.034 0.000 1.046 189 R HN 0.411 nan 8.270 nan 0.000 0.461 190 V N 4.248 124.166 119.914 0.006 0.000 2.348 190 V HA 0.387 4.513 4.120 0.010 0.000 0.270 190 V C 0.025 176.108 176.094 -0.017 0.000 1.037 190 V CA -0.545 61.743 62.300 -0.020 0.000 0.872 190 V CB 0.996 32.786 31.823 -0.055 0.000 1.002 190 V HN 0.879 nan 8.190 nan 0.000 0.464 191 A N 5.633 128.446 122.820 -0.011 0.000 2.394 191 A HA 0.501 4.827 4.320 0.010 0.000 0.333 191 A C 0.966 178.545 177.584 -0.008 0.000 1.397 191 A CA -0.550 51.488 52.037 0.001 0.000 0.884 191 A CB 0.171 19.178 19.000 0.012 0.000 1.147 191 A HN 0.836 nan 8.150 nan 0.000 0.505 192 R N 0.833 121.326 120.500 -0.013 0.000 2.276 192 R HA 0.090 4.436 4.340 0.010 0.000 0.196 192 R C -0.282 176.029 176.300 0.018 0.000 0.961 192 R CA 0.235 56.327 56.100 -0.014 0.000 1.024 192 R CB 0.088 30.365 30.300 -0.038 0.000 0.940 192 R HN 0.516 nan 8.270 nan 0.000 0.480 193 L N 1.270 122.512 121.223 0.031 0.000 2.316 193 L HA 0.279 4.625 4.340 0.010 0.000 0.280 193 L C -0.669 176.222 176.870 0.034 0.000 1.006 193 L CA -0.361 54.503 54.840 0.041 0.000 0.836 193 L CB 1.849 43.942 42.059 0.057 0.000 1.221 193 L HN -0.122 nan 8.230 nan 0.000 0.418 194 S N 3.939 119.657 115.700 0.029 0.000 2.533 194 S HA 0.095 4.571 4.470 0.010 0.000 0.282 194 S C 1.064 175.681 174.600 0.027 0.000 1.304 194 S CA -0.393 57.822 58.200 0.025 0.000 1.063 194 S CB 0.894 64.107 63.200 0.021 0.000 0.881 194 S HN 0.754 nan 8.310 nan 0.000 0.493 195 Q N 1.890 121.704 119.800 0.024 0.000 2.112 195 Q HA -0.221 4.125 4.340 0.010 0.000 0.206 195 Q C 2.217 178.231 176.000 0.023 0.000 0.987 195 Q CA 1.637 57.455 55.803 0.024 0.000 0.858 195 Q CB -0.178 28.572 28.738 0.019 0.000 0.905 195 Q HN 0.858 nan 8.270 nan 0.000 0.420 196 E N 0.526 120.738 120.200 0.020 0.000 2.153 196 E HA -0.171 4.186 4.350 0.010 0.000 0.194 196 E C 1.812 178.425 176.600 0.022 0.000 0.988 196 E CA 1.270 57.681 56.400 0.019 0.000 0.811 196 E CB -0.216 29.494 29.700 0.016 0.000 0.746 196 E HN 0.309 nan 8.360 nan 0.000 0.466 197 A N 1.675 124.510 122.820 0.025 0.000 1.897 197 A HA -0.046 4.281 4.320 0.010 0.000 0.215 197 A C 2.267 179.870 177.584 0.031 0.000 1.181 197 A CA 1.183 53.237 52.037 0.028 0.000 0.620 197 A CB -0.615 18.403 19.000 0.030 0.000 0.821 197 A HN 0.259 nan 8.150 nan 0.000 0.443 198 L N 0.004 121.247 121.223 0.034 0.000 2.017 198 L HA -0.081 4.265 4.340 0.010 0.000 0.208 198 L C 2.662 179.551 176.870 0.032 0.000 1.073 198 L CA 2.275 57.138 54.840 0.038 0.000 0.745 198 L CB -0.837 41.247 42.059 0.042 0.000 0.894 198 L HN 0.342 nan 8.230 nan 0.000 0.432 199 A N -0.426 122.410 122.820 0.027 0.000 1.908 199 A HA -0.247 4.079 4.320 0.010 0.000 0.218 199 A C 2.454 180.052 177.584 0.022 0.000 1.181 199 A CA 2.037 54.087 52.037 0.023 0.000 0.627 199 A CB -0.588 18.424 19.000 0.020 0.000 0.818 199 A HN 0.532 nan 8.150 nan 0.000 0.445 200 R N -1.036 119.478 120.500 0.023 0.000 2.115 200 R HA -0.077 4.269 4.340 0.010 0.000 0.226 200 R C 2.254 178.569 176.300 0.024 0.000 1.100 200 R CA 1.205 57.318 56.100 0.022 0.000 0.980 200 R CB -0.224 30.089 30.300 0.021 0.000 0.875 200 R HN 0.780 nan 8.270 nan 0.000 0.445 201 E N 1.034 121.251 120.200 0.029 0.000 2.110 201 E HA -0.156 4.200 4.350 0.010 0.000 0.193 201 E C 1.683 178.302 176.600 0.031 0.000 0.988 201 E CA 0.843 57.263 56.400 0.032 0.000 0.804 201 E CB 0.067 29.791 29.700 0.039 0.000 0.745 201 E HN 0.266 nan 8.360 nan 0.000 0.458 202 L N 0.163 121.403 121.223 0.029 0.000 2.465 202 L HA -0.056 4.291 4.340 0.010 0.000 0.224 202 L C 1.630 178.513 176.870 0.021 0.000 1.145 202 L CA 0.094 54.949 54.840 0.025 0.000 0.834 202 L CB 0.397 42.470 42.059 0.023 0.000 0.944 202 L HN 0.082 nan 8.230 nan 0.000 0.451 203 V N -1.865 118.062 119.914 0.021 0.000 3.643 203 V HA -0.030 4.097 4.120 0.010 0.000 0.280 203 V C 1.984 178.089 176.094 0.018 0.000 1.351 203 V CA 0.920 63.230 62.300 0.018 0.000 1.073 203 V CB 0.679 32.512 31.823 0.016 0.000 0.863 203 V HN 0.488 nan 8.190 nan 0.000 0.436 204 S N 0.532 116.245 115.700 0.021 0.000 2.723 204 S HA 0.325 4.801 4.470 0.010 0.000 0.231 204 S C 1.082 175.694 174.600 0.020 0.000 0.967 204 S CA 0.660 58.872 58.200 0.021 0.000 0.958 204 S CB -0.427 62.787 63.200 0.024 0.000 0.778 204 S HN 1.105 nan 8.310 nan 0.000 0.537 205 G N 1.180 109.991 108.800 0.019 0.000 2.451 205 G HA2 -0.076 3.890 3.960 0.010 0.000 0.208 205 G HA3 -0.076 3.890 3.960 0.010 0.000 0.208 205 G C -0.166 174.745 174.900 0.020 0.000 1.248 205 G CA -0.352 44.759 45.100 0.018 0.000 0.989 205 G HN 1.317 nan 8.290 nan 0.000 0.559 206 T N -0.431 114.135 114.554 0.020 0.000 2.819 206 T HA 0.290 4.646 4.350 0.010 0.000 0.282 206 T C 0.813 175.529 174.700 0.027 0.000 1.013 206 T CA 0.605 62.718 62.100 0.022 0.000 1.159 206 T CB -0.085 68.796 68.868 0.022 0.000 1.007 206 T HN 0.909 nan 8.240 nan 0.000 0.514 207 I N 3.265 123.851 120.570 0.027 0.000 2.308 207 I HA 0.363 4.539 4.170 0.010 0.000 0.293 207 I C 1.197 177.341 176.117 0.045 0.000 1.078 207 I CA -0.710 60.610 61.300 0.033 0.000 1.292 207 I CB 0.140 38.155 38.000 0.025 0.000 1.423 207 I HN 0.897 nan 8.210 nan 0.000 0.493 208 A N 8.627 131.481 122.820 0.056 0.000 2.498 208 A HA 0.233 4.559 4.320 0.010 0.000 0.239 208 A C -1.444 176.201 177.584 0.102 0.000 1.068 208 A CA -0.927 51.154 52.037 0.073 0.000 0.766 208 A CB -0.081 18.964 19.000 0.074 0.000 1.003 208 A HN 0.515 nan 8.150 nan 0.000 0.497 209 P HA -0.244 nan 4.420 nan 0.000 0.218 209 P C 1.626 179.094 177.300 0.279 0.000 1.165 209 P CA 1.437 64.663 63.100 0.209 0.000 0.922 209 P CB -0.003 31.849 31.700 0.253 0.000 0.794 210 L N -1.071 120.301 121.223 0.249 0.000 2.129 210 L HA -0.170 4.177 4.340 0.010 0.000 0.212 210 L C 1.933 178.940 176.870 0.228 0.000 1.087 210 L CA 2.159 57.156 54.840 0.260 0.000 0.757 210 L CB -1.604 40.549 42.059 0.156 0.000 0.896 210 L HN -0.009 nan 8.230 nan 0.000 0.434 211 T N -0.903 113.741 114.554 0.150 0.000 2.867 211 T HA -0.139 4.218 4.350 0.010 0.000 0.268 211 T C 1.923 176.671 174.700 0.080 0.000 1.057 211 T CA 1.401 63.564 62.100 0.105 0.000 1.136 211 T CB -0.142 68.768 68.868 0.071 0.000 0.874 211 T HN 0.197 nan 8.240 nan 0.000 0.466 212 M N 0.717 120.342 119.600 0.042 0.000 2.080 212 M HA 0.014 4.500 4.480 0.010 0.000 0.260 212 M C 1.960 178.172 176.300 -0.146 0.000 1.068 212 M CA 1.504 56.743 55.300 -0.102 0.000 1.109 212 M CB -1.558 30.890 32.600 -0.253 0.000 1.342 212 M HN 0.255 nan 8.290 nan 0.000 0.405 213 F N 0.674 120.660 119.950 0.060 0.000 2.146 213 F HA -0.135 4.396 4.527 0.007 0.000 0.298 213 F C 2.406 178.250 175.800 0.074 0.000 1.096 213 F CA 1.255 59.291 58.000 0.061 0.000 1.275 213 F CB -0.699 38.330 39.000 0.049 0.000 1.008 213 F HN 0.164 nan 8.300 nan 0.000 0.480 214 K N 0.217 120.760 120.400 0.239 0.000 2.074 214 K HA -0.204 4.123 4.320 0.010 0.000 0.209 214 K C 2.314 178.987 176.600 0.121 0.000 1.048 214 K CA 1.397 57.782 56.287 0.163 0.000 0.926 214 K CB -0.600 31.978 32.500 0.130 0.000 0.713 214 K HN 0.248 nan 8.250 nan 0.000 0.444 215 A N 1.142 124.013 122.820 0.085 0.000 1.972 215 A HA -0.124 4.202 4.320 0.010 0.000 0.219 215 A C 2.015 179.637 177.584 0.063 0.000 1.169 215 A CA 1.292 53.362 52.037 0.056 0.000 0.635 215 A CB -0.454 18.560 19.000 0.023 0.000 0.810 215 A HN 0.186 nan 8.150 nan 0.000 0.446 216 L N -2.169 119.095 121.223 0.068 0.000 2.375 216 L HA 0.082 4.428 4.340 0.010 0.000 0.215 216 L C 2.297 179.267 176.870 0.166 0.000 1.108 216 L CA 0.467 55.362 54.840 0.091 0.000 0.830 216 L CB -0.100 41.985 42.059 0.045 0.000 0.959 216 L HN 0.253 nan 8.230 nan 0.000 0.457 217 R N -1.151 119.462 120.500 0.187 0.000 2.517 217 R HA 0.256 4.602 4.340 0.010 0.000 0.265 217 R C 1.005 177.430 176.300 0.208 0.000 0.921 217 R CA 0.184 56.426 56.100 0.236 0.000 1.054 217 R CB 0.744 31.200 30.300 0.260 0.000 1.340 217 R HN 0.191 nan 8.270 nan 0.000 0.551 218 M N 0.605 120.300 119.600 0.159 0.000 2.475 218 M HA 0.280 4.766 4.480 0.010 0.000 0.283 218 M C -0.165 176.193 176.300 0.096 0.000 1.165 218 M CA 0.063 55.440 55.300 0.128 0.000 0.976 218 M CB 0.175 32.844 32.600 0.114 0.000 1.428 218 M HN -0.246 nan 8.290 nan 0.000 0.495 219 R N 0.648 121.204 120.500 0.095 0.000 2.902 219 R HA 0.497 4.843 4.340 0.010 0.000 0.258 219 R C -0.181 176.148 176.300 0.049 0.000 1.071 219 R CA -0.556 55.581 56.100 0.062 0.000 1.024 219 R CB 0.843 31.175 30.300 0.053 0.000 1.184 219 R HN 0.146 nan 8.270 nan 0.000 0.492 220 E N 1.597 121.805 120.200 0.013 0.000 2.373 220 E HA 0.056 4.412 4.350 0.010 0.000 0.267 220 E C -0.443 176.125 176.600 -0.053 0.000 1.032 220 E CA -0.089 56.295 56.400 -0.027 0.000 0.889 220 E CB 0.612 30.285 29.700 -0.045 0.000 0.984 220 E HN 0.212 nan 8.360 nan 0.000 0.425 221 E N 1.626 121.745 120.200 -0.134 0.000 2.283 221 E HA 0.011 4.367 4.350 0.010 0.000 0.278 221 E C 0.988 177.406 176.600 -0.303 0.000 1.027 221 E CA -0.050 56.227 56.400 -0.205 0.000 0.843 221 E CB 1.323 30.816 29.700 -0.346 0.000 1.062 221 E HN 0.659 nan 8.360 nan 0.000 0.401 222 T N -0.220 114.252 114.554 -0.137 0.000 2.881 222 T HA -0.236 4.120 4.350 0.010 0.000 0.270 222 T C 1.731 176.375 174.700 -0.093 0.000 1.068 222 T CA 1.449 63.499 62.100 -0.083 0.000 1.131 222 T CB -0.487 68.382 68.868 0.002 0.000 0.871 222 T HN 0.600 nan 8.240 nan 0.000 0.479 223 Y N 1.957 122.252 120.300 -0.009 0.000 2.516 223 Y HA 0.663 5.219 4.550 0.010 0.000 0.291 223 Y C 1.057 176.944 175.900 -0.023 0.000 1.131 223 Y CA -1.179 56.909 58.100 -0.019 0.000 1.281 223 Y CB -0.787 37.656 38.460 -0.028 0.000 1.013 223 Y HN 0.370 nan 8.280 nan 0.000 0.554 224 A N 1.482 123.871 122.820 -0.720 0.000 2.302 224 A HA 0.256 4.582 4.320 0.010 0.000 0.285 224 A C -0.136 177.325 177.584 -0.205 0.000 1.105 224 A CA -0.609 51.146 52.037 -0.471 0.000 0.816 224 A CB 0.209 18.836 19.000 -0.622 0.000 1.067 224 A HN 0.514 nan 8.150 nan 0.000 0.489 225 E N 1.046 121.172 120.200 -0.123 0.000 2.392 225 E HA 0.410 4.766 4.350 0.010 0.000 0.264 225 E C 0.366 176.900 176.600 -0.110 0.000 1.024 225 E CA -0.158 56.183 56.400 -0.099 0.000 0.903 225 E CB 0.641 30.291 29.700 -0.083 0.000 0.963 225 E HN 0.806 nan 8.360 nan 0.000 0.432 226 A N 5.740 128.501 122.820 -0.098 0.000 2.462 226 A HA 0.249 4.575 4.320 0.010 0.000 0.243 226 A C -2.078 175.447 177.584 -0.098 0.000 1.076 226 A CA -1.098 50.883 52.037 -0.093 0.000 0.773 226 A CB -0.124 18.826 19.000 -0.083 0.000 1.010 226 A HN 0.578 nan 8.150 nan 0.000 0.493 227 P HA 0.112 nan 4.420 nan 0.000 0.272 227 P C -0.518 176.681 177.300 -0.169 0.000 1.230 227 P CA -0.003 63.047 63.100 -0.084 0.000 0.788 227 P CB 0.661 32.343 31.700 -0.029 0.000 0.949 228 D N 0.139 120.371 120.400 -0.280 0.000 2.117 228 D HA -0.025 4.621 4.640 0.010 0.000 0.198 228 D C 0.055 175.840 176.300 -0.859 0.000 0.982 228 D CA 1.765 55.368 54.000 -0.661 0.000 0.828 228 D CB -0.254 39.976 40.800 -0.950 0.000 0.967 228 D HN 0.346 nan 8.370 nan 0.000 0.464 229 F N -0.885 119.059 119.950 -0.010 0.000 2.599 229 F HA 0.540 5.073 4.527 0.010 0.000 0.311 229 F C -0.548 175.243 175.800 -0.016 0.000 1.076 229 F CA -1.354 56.638 58.000 -0.014 0.000 0.937 229 F CB 1.660 40.649 39.000 -0.019 0.000 1.282 229 F HN -0.440 nan 8.300 nan 0.000 0.460 230 V N 2.611 122.631 119.914 0.176 0.000 2.577 230 V HA 0.752 4.878 4.120 0.010 0.000 0.303 230 V C -0.756 175.380 176.094 0.070 0.000 1.042 230 V CA -0.872 61.483 62.300 0.092 0.000 0.872 230 V CB 1.759 33.611 31.823 0.049 0.000 0.998 230 V HN 0.714 nan 8.190 nan 0.000 0.423 231 V N 2.801 122.739 119.914 0.040 0.000 2.960 231 V HA 0.682 4.808 4.120 0.010 0.000 0.315 231 V C -1.938 174.152 176.094 -0.005 0.000 1.087 231 V CA -1.847 60.460 62.300 0.011 0.000 0.982 231 V CB 2.197 34.016 31.823 -0.008 0.000 1.039 231 V HN 0.567 nan 8.190 nan 0.000 0.437 232 P HA 0.231 nan 4.420 nan 0.000 0.225 232 P C 0.335 177.606 177.300 -0.048 0.000 1.156 232 P CA 1.345 64.431 63.100 -0.023 0.000 0.787 232 P CB 0.605 32.297 31.700 -0.014 0.000 0.802 233 A N -1.218 121.571 122.820 -0.051 0.000 2.609 233 A HA 0.451 4.777 4.320 0.010 0.000 0.291 233 A C 0.706 178.256 177.584 -0.057 0.000 1.096 233 A CA -0.579 51.413 52.037 -0.076 0.000 0.684 233 A CB 0.081 19.046 19.000 -0.058 0.000 1.282 233 A HN -0.090 nan 8.150 nan 0.000 0.412 234 L N 0.935 122.119 121.223 -0.066 0.000 2.131 234 L HA -0.068 4.278 4.340 0.010 0.000 0.210 234 L C 2.553 179.420 176.870 -0.005 0.000 1.092 234 L CA 1.699 56.533 54.840 -0.010 0.000 0.759 234 L CB -0.356 41.694 42.059 -0.016 0.000 0.903 234 L HN 0.969 nan 8.230 nan 0.000 0.435 235 G N -0.768 108.016 108.800 -0.026 0.000 2.498 235 G HA2 -0.206 3.760 3.960 0.010 0.000 0.219 235 G HA3 -0.206 3.760 3.960 0.010 0.000 0.219 235 G C 1.108 175.993 174.900 -0.025 0.000 1.119 235 G CA 0.603 45.687 45.100 -0.026 0.000 0.766 235 G HN 0.363 nan 8.290 nan 0.000 0.552 236 D N 0.079 120.463 120.400 -0.027 0.000 2.348 236 D HA 0.065 4.711 4.640 0.010 0.000 0.211 236 D C 2.451 178.722 176.300 -0.049 0.000 0.998 236 D CA -0.047 53.931 54.000 -0.036 0.000 0.873 236 D CB 0.328 41.107 40.800 -0.035 0.000 0.925 236 D HN 0.311 nan 8.370 nan 0.000 0.524 237 L N 0.961 122.163 121.223 -0.035 0.000 2.046 237 L HA -0.113 4.234 4.340 0.010 0.000 0.208 237 L C -0.412 176.419 176.870 -0.065 0.000 1.077 237 L CA 1.350 56.159 54.840 -0.052 0.000 0.747 237 L CB -1.541 40.520 42.059 0.002 0.000 0.896 237 L HN -0.018 nan 8.230 nan 0.000 0.432 238 P HA -0.199 nan 4.420 nan 0.000 0.215 238 P C 1.417 178.678 177.300 -0.064 0.000 1.157 238 P CA 1.198 64.271 63.100 -0.045 0.000 0.868 238 P CB -0.009 31.671 31.700 -0.033 0.000 0.788 239 R N -0.016 120.446 120.500 -0.064 0.000 2.083 239 R HA -0.151 4.195 4.340 0.010 0.000 0.237 239 R C 2.070 178.307 176.300 -0.105 0.000 1.137 239 R CA 1.511 57.569 56.100 -0.070 0.000 0.951 239 R CB -1.734 28.532 30.300 -0.058 0.000 0.851 239 R HN 0.050 nan 8.270 nan 0.000 0.434 240 L N -0.010 121.129 121.223 -0.139 0.000 2.012 240 L HA -0.128 4.218 4.340 0.010 0.000 0.210 240 L C 2.127 178.834 176.870 -0.273 0.000 1.073 240 L CA 1.754 56.450 54.840 -0.239 0.000 0.748 240 L CB -0.579 41.303 42.059 -0.295 0.000 0.891 240 L HN 0.138 nan 8.230 nan 0.000 0.431 241 V N -0.443 119.348 119.914 -0.204 0.000 2.343 241 V HA -0.284 3.842 4.120 0.010 0.000 0.247 241 V C 2.754 178.775 176.094 -0.121 0.000 1.051 241 V CA 1.838 64.037 62.300 -0.168 0.000 1.036 241 V CB -0.731 31.027 31.823 -0.108 0.000 0.654 241 V HN 0.400 nan 8.190 nan 0.000 0.451 242 R N 1.131 121.573 120.500 -0.096 0.000 2.082 242 R HA -0.047 4.299 4.340 0.010 0.000 0.228 242 R C 2.477 178.734 176.300 -0.070 0.000 1.140 242 R CA 1.676 57.735 56.100 -0.068 0.000 0.920 242 R CB -1.680 28.587 30.300 -0.055 0.000 0.828 242 R HN 0.477 nan 8.270 nan 0.000 0.430 243 G N 0.555 109.307 108.800 -0.080 0.000 2.549 243 G HA2 -0.310 3.656 3.960 0.010 0.000 0.222 243 G HA3 -0.310 3.656 3.960 0.010 0.000 0.222 243 G C 1.327 176.182 174.900 -0.074 0.000 1.100 243 G CA 1.066 46.125 45.100 -0.068 0.000 0.739 243 G HN 0.269 nan 8.290 nan 0.000 0.577 244 M N 0.545 120.075 119.600 -0.118 0.000 2.095 244 M HA 0.377 4.863 4.480 0.010 0.000 0.257 244 M C 2.052 178.332 176.300 -0.033 0.000 1.089 244 M CA 0.883 56.117 55.300 -0.110 0.000 1.138 244 M CB -0.295 32.170 32.600 -0.224 0.000 1.303 244 M HN 0.214 nan 8.290 nan 0.000 0.422 245 A N 0.000 122.797 122.820 -0.038 0.000 2.254 245 A HA 0.000 4.326 4.320 0.010 0.000 0.244 245 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 245 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486