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 2oel_1_B DATA FIRST_RESID 2 DATA SEQUENCE SAVMATYLLH DETDIRKKAE GIALGLTIGT WTDLPALEQE QLRKHKGEVV DATA SEQUENCE AIEELGESER VNAYFGKRLK RAIVKIAYPT VNFSADLPAL LVTTFGKLSL DATA SEQUENCE DGEVRLLDLE FPDEWKRQFP GPRFGIDGIR DRVGVHNRPL LMSIFKGMIG DATA SEQUENCE RDLAYLTSEL KKQALGGVDL VXDDEILFDS ELLPFEKRIT EGKAALQEVY DATA SEQUENCE EQTGKRTLYA VNLTGKTFAL KDKAKRAAEL GADVLLFNVF AYGLDVLQAL DATA SEQUENCE REDEEIAVPI MAHPAFSGAV TPSEFYGVAP SLWLGKLLRL AGADFVLFPS DATA SEQUENCE PYGSVALERE QALGIARALT DDQEPFARAF PVPSAGIHPG LVPLIIRDFG DATA SEQUENCE LDTIVNAGGG IHGHPDGAIG GGRAFRAAID AVLAGRPLRA AAAENEALQK DATA SEQUENCE AIDRWGVVEV EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.214 58.200 0.023 0.000 1.107 2 S CB 0.000 63.239 63.200 0.065 0.000 0.593 3 A N 1.470 124.298 122.820 0.013 0.000 2.574 3 A HA 0.797 5.114 4.320 -0.005 0.000 0.297 3 A C -0.980 176.622 177.584 0.029 0.000 1.062 3 A CA -0.790 51.261 52.037 0.023 0.000 0.686 3 A CB 1.636 20.648 19.000 0.021 0.000 1.285 3 A HN 1.440 nan 8.150 nan 0.000 0.403 4 V N 2.617 122.576 119.914 0.076 0.000 2.498 4 V HA 0.382 4.499 4.120 -0.005 0.000 0.279 4 V C 0.347 176.482 176.094 0.067 0.000 1.048 4 V CA 0.053 62.375 62.300 0.038 0.000 0.967 4 V CB 1.213 33.058 31.823 0.037 0.000 0.988 4 V HN 0.882 nan 8.190 nan 0.000 0.473 5 M N 5.466 125.036 119.600 -0.051 0.000 2.101 5 M HA 0.682 5.159 4.480 -0.005 0.000 0.340 5 M C -0.153 176.070 176.300 -0.128 0.000 1.057 5 M CA -0.403 54.859 55.300 -0.065 0.000 0.984 5 M CB 1.007 33.547 32.600 -0.100 0.000 1.560 5 M HN 0.723 nan 8.290 nan 0.000 0.435 6 A N 3.724 126.499 122.820 -0.076 0.000 2.301 6 A HA 0.718 5.035 4.320 -0.005 0.000 0.312 6 A C -0.512 176.775 177.584 -0.496 0.000 1.182 6 A CA -0.472 51.378 52.037 -0.313 0.000 0.826 6 A CB 0.819 19.667 19.000 -0.253 0.000 1.134 6 A HN 0.761 nan 8.150 nan 0.000 0.501 7 T N 2.535 116.738 114.554 -0.584 0.000 2.779 7 T HA 0.585 4.932 4.350 -0.005 0.000 0.280 7 T C -1.175 173.202 174.700 -0.538 0.000 0.987 7 T CA 0.237 62.085 62.100 -0.420 0.000 0.966 7 T CB 0.157 68.878 68.868 -0.245 0.000 0.933 7 T HN 0.441 nan 8.240 nan 0.000 0.442 8 Y N 1.517 121.790 120.300 -0.045 0.000 2.562 8 Y HA 0.709 5.255 4.550 -0.006 0.000 0.343 8 Y C -0.378 175.506 175.900 -0.027 0.000 1.025 8 Y CA -1.586 56.492 58.100 -0.036 0.000 1.082 8 Y CB 1.277 39.751 38.460 0.023 0.000 1.264 8 Y HN 0.413 nan 8.280 nan 0.000 0.478 9 L N 2.968 124.293 121.223 0.169 0.000 2.298 9 L HA 0.654 4.991 4.340 -0.005 0.000 0.284 9 L C -1.869 175.079 176.870 0.129 0.000 1.013 9 L CA -0.598 54.296 54.840 0.089 0.000 0.824 9 L CB 0.532 42.636 42.059 0.076 0.000 1.221 9 L HN 0.489 nan 8.230 nan 0.000 0.418 10 L N 5.134 126.376 121.223 0.033 0.000 2.334 10 L HA 0.582 4.919 4.340 -0.005 0.000 0.276 10 L C -0.821 175.986 176.870 -0.105 0.000 1.014 10 L CA -0.367 54.501 54.840 0.046 0.000 0.815 10 L CB 1.817 43.887 42.059 0.018 0.000 1.268 10 L HN 0.564 nan 8.230 nan 0.000 0.428 11 H N 0.597 119.653 119.070 -0.023 0.000 2.589 11 H HA 0.759 5.312 4.556 -0.004 0.000 0.351 11 H C -1.264 173.976 175.328 -0.146 0.000 1.074 11 H CA -0.625 55.373 56.048 -0.083 0.000 1.203 11 H CB 1.783 31.464 29.762 -0.135 0.000 1.558 11 H HN 0.574 nan 8.280 nan 0.000 0.522 12 D N -0.291 120.078 120.400 -0.052 0.000 2.694 12 D HA 0.096 4.733 4.640 -0.005 0.000 0.260 12 D C -0.021 176.231 176.300 -0.079 0.000 1.250 12 D CA -0.527 53.423 54.000 -0.083 0.000 0.763 12 D CB 1.408 42.176 40.800 -0.054 0.000 1.311 12 D HN 0.732 nan 8.370 nan 0.000 0.420 13 E N -0.829 119.324 120.200 -0.079 0.000 2.460 13 E HA 0.154 4.501 4.350 -0.005 0.000 0.200 13 E C 0.320 176.895 176.600 -0.043 0.000 1.011 13 E CA -0.091 56.273 56.400 -0.059 0.000 0.912 13 E CB 0.433 30.096 29.700 -0.061 0.000 0.953 13 E HN 0.349 nan 8.360 nan 0.000 0.494 14 T N -0.908 113.621 114.554 -0.042 0.000 2.944 14 T HA 0.215 4.562 4.350 -0.005 0.000 0.284 14 T C -0.181 174.501 174.700 -0.029 0.000 1.010 14 T CA -0.856 61.225 62.100 -0.032 0.000 1.025 14 T CB 1.562 70.412 68.868 -0.029 0.000 1.079 14 T HN -0.050 nan 8.240 nan 0.000 0.516 15 D N 0.752 121.138 120.400 -0.024 0.000 2.570 15 D HA -0.024 4.612 4.640 -0.005 0.000 0.243 15 D C 1.217 177.503 176.300 -0.024 0.000 1.171 15 D CA -0.173 53.814 54.000 -0.022 0.000 0.879 15 D CB 0.132 40.922 40.800 -0.017 0.000 1.143 15 D HN 0.399 nan 8.370 nan 0.000 0.511 16 I N 4.013 124.568 120.570 -0.026 0.000 2.252 16 I HA -0.187 3.980 4.170 -0.005 0.000 0.245 16 I C 2.321 178.424 176.117 -0.023 0.000 1.102 16 I CA 1.156 62.440 61.300 -0.027 0.000 1.385 16 I CB -0.910 37.072 38.000 -0.030 0.000 1.064 16 I HN 0.636 nan 8.210 nan 0.000 0.414 17 R N 1.470 121.958 120.500 -0.021 0.000 2.105 17 R HA -0.185 4.151 4.340 -0.005 0.000 0.239 17 R C 2.260 178.548 176.300 -0.020 0.000 1.135 17 R CA 1.446 57.534 56.100 -0.020 0.000 0.967 17 R CB 0.016 30.305 30.300 -0.019 0.000 0.861 17 R HN 0.304 nan 8.270 nan 0.000 0.442 18 K N 0.434 120.824 120.400 -0.018 0.000 2.009 18 K HA -0.206 4.111 4.320 -0.005 0.000 0.210 18 K C 2.187 178.777 176.600 -0.018 0.000 1.049 18 K CA 1.831 58.109 56.287 -0.015 0.000 0.929 18 K CB -0.186 32.306 32.500 -0.013 0.000 0.714 18 K HN 0.120 nan 8.250 nan 0.000 0.440 19 K N 0.818 121.205 120.400 -0.021 0.000 2.063 19 K HA -0.165 4.152 4.320 -0.005 0.000 0.208 19 K C 2.149 178.731 176.600 -0.031 0.000 1.048 19 K CA 1.315 57.587 56.287 -0.026 0.000 0.928 19 K CB -0.123 32.359 32.500 -0.030 0.000 0.713 19 K HN 0.169 nan 8.250 nan 0.000 0.442 20 A N 1.462 124.264 122.820 -0.030 0.000 1.877 20 A HA -0.184 4.133 4.320 -0.005 0.000 0.216 20 A C 1.937 179.498 177.584 -0.037 0.000 1.186 20 A CA 1.684 53.702 52.037 -0.031 0.000 0.620 20 A CB -0.506 18.481 19.000 -0.022 0.000 0.822 20 A HN 0.344 nan 8.150 nan 0.000 0.443 21 E N -0.435 119.745 120.200 -0.033 0.000 2.110 21 E HA -0.136 4.211 4.350 -0.005 0.000 0.193 21 E C 2.181 178.765 176.600 -0.027 0.000 0.988 21 E CA 1.143 57.520 56.400 -0.037 0.000 0.804 21 E CB -0.764 28.920 29.700 -0.028 0.000 0.745 21 E HN 0.590 nan 8.360 nan 0.000 0.458 22 G N 1.319 110.109 108.800 -0.017 0.000 2.418 22 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.217 22 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.217 22 G C 1.762 176.661 174.900 -0.000 0.000 1.158 22 G CA 0.646 45.742 45.100 -0.005 0.000 0.771 22 G HN 0.194 nan 8.290 nan 0.000 0.545 23 I N 1.287 121.850 120.570 -0.011 0.000 2.202 23 I HA -0.130 4.037 4.170 -0.005 0.000 0.242 23 I C 3.313 179.446 176.117 0.028 0.000 1.091 23 I CA 0.908 62.213 61.300 0.009 0.000 1.368 23 I CB -0.286 37.699 38.000 -0.024 0.000 1.058 23 I HN 0.235 nan 8.210 nan 0.000 0.410 24 A N 0.767 123.565 122.820 -0.036 0.000 1.883 24 A HA -0.234 4.083 4.320 -0.005 0.000 0.217 24 A C 2.249 179.811 177.584 -0.036 0.000 1.186 24 A CA 1.864 53.843 52.037 -0.096 0.000 0.624 24 A CB -0.772 18.146 19.000 -0.136 0.000 0.822 24 A HN 0.393 nan 8.150 nan 0.000 0.444 25 L N -0.452 120.761 121.223 -0.017 0.000 2.049 25 L HA 0.168 4.505 4.340 -0.005 0.000 0.203 25 L C 2.462 179.365 176.870 0.055 0.000 1.074 25 L CA 2.279 57.126 54.840 0.011 0.000 0.749 25 L CB -1.209 40.859 42.059 0.016 0.000 0.907 25 L HN 0.278 nan 8.230 nan 0.000 0.439 26 G N -0.144 108.687 108.800 0.052 0.000 2.469 26 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.220 26 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.220 26 G C 1.437 176.387 174.900 0.083 0.000 1.136 26 G CA 1.143 46.279 45.100 0.060 0.000 0.759 26 G HN 0.411 nan 8.290 nan 0.000 0.562 27 L N 1.210 122.505 121.223 0.120 0.000 2.629 27 L HA 0.201 4.538 4.340 -0.005 0.000 0.230 27 L C 2.080 179.079 176.870 0.215 0.000 1.151 27 L CA 0.607 55.549 54.840 0.171 0.000 0.924 27 L CB -0.040 42.170 42.059 0.252 0.000 1.137 27 L HN 0.451 nan 8.230 nan 0.000 0.457 28 T N -3.297 111.360 114.554 0.171 0.000 2.614 28 T HA 0.157 4.503 4.350 -0.005 0.000 0.163 28 T C 1.372 176.153 174.700 0.135 0.000 0.806 28 T CA 0.098 62.305 62.100 0.179 0.000 1.020 28 T CB -0.347 68.617 68.868 0.160 0.000 2.539 28 T HN 0.084 nan 8.240 nan 0.000 0.380 29 I N -0.676 119.970 120.570 0.127 0.000 3.419 29 I HA 0.536 4.702 4.170 -0.005 0.000 0.286 29 I C 2.074 178.264 176.117 0.123 0.000 1.268 29 I CA 0.591 61.973 61.300 0.136 0.000 1.414 29 I CB -0.756 37.363 38.000 0.198 0.000 1.074 29 I HN 0.818 nan 8.210 nan 0.000 0.457 30 G N 1.937 110.802 108.800 0.108 0.000 2.990 30 G HA2 -0.337 3.620 3.960 -0.005 0.000 0.225 30 G HA3 -0.337 3.620 3.960 -0.005 0.000 0.225 30 G C 0.545 175.511 174.900 0.109 0.000 1.304 30 G CA 0.699 45.855 45.100 0.093 0.000 0.816 30 G HN 0.800 nan 8.290 nan 0.000 0.528 31 T N -4.194 110.446 114.554 0.143 0.000 2.906 31 T HA 0.655 5.002 4.350 -0.005 0.000 0.295 31 T C 0.035 174.907 174.700 0.286 0.000 1.061 31 T CA 0.267 62.464 62.100 0.162 0.000 1.000 31 T CB 2.672 71.600 68.868 0.100 0.000 1.103 31 T HN 1.040 nan 8.240 nan 0.000 0.486 32 W N 1.035 122.349 121.300 0.022 0.000 5.194 32 W HA -0.056 4.602 4.660 -0.004 0.000 0.169 32 W C 1.823 178.353 176.519 0.017 0.000 1.110 32 W CA 0.610 57.969 57.345 0.023 0.000 1.861 32 W CB -0.347 29.126 29.460 0.023 0.000 0.573 32 W HN 0.851 nan 8.180 nan 0.000 1.069 33 T N -0.651 113.957 114.554 0.089 0.000 2.759 33 T HA -0.209 4.138 4.350 -0.005 0.000 0.269 33 T C 0.742 175.383 174.700 -0.097 0.000 1.042 33 T CA 2.160 64.241 62.100 -0.031 0.000 1.140 33 T CB -0.668 68.239 68.868 0.064 0.000 0.864 33 T HN -0.055 nan 8.240 nan 0.000 0.455 34 D N 0.819 121.186 120.400 -0.056 0.000 2.349 34 D HA 0.219 4.856 4.640 -0.005 0.000 0.224 34 D C -0.322 175.921 176.300 -0.095 0.000 1.029 34 D CA 0.074 54.040 54.000 -0.057 0.000 0.879 34 D CB -0.223 40.567 40.800 -0.018 0.000 0.906 34 D HN 0.313 nan 8.370 nan 0.000 0.528 35 L N 1.106 122.229 121.223 -0.167 0.000 2.326 35 L HA 0.347 4.684 4.340 -0.005 0.000 0.278 35 L C -2.014 174.721 176.870 -0.225 0.000 1.092 35 L CA -2.018 52.706 54.840 -0.192 0.000 0.810 35 L CB 0.154 42.064 42.059 -0.247 0.000 1.153 35 L HN -0.237 nan 8.230 nan 0.000 0.439 36 P HA 0.100 nan 4.420 nan 0.000 0.271 36 P C 0.215 177.419 177.300 -0.161 0.000 1.218 36 P CA -0.155 62.867 63.100 -0.129 0.000 0.780 36 P CB 0.787 32.439 31.700 -0.080 0.000 0.901 37 A N 2.824 125.560 122.820 -0.139 0.000 2.009 37 A HA -0.237 4.080 4.320 -0.005 0.000 0.222 37 A C 1.873 179.400 177.584 -0.096 0.000 1.175 37 A CA 1.772 53.731 52.037 -0.130 0.000 0.651 37 A CB -1.450 17.503 19.000 -0.079 0.000 0.815 37 A HN 0.566 nan 8.150 nan 0.000 0.459 38 L N -0.202 120.980 121.223 -0.069 0.000 2.093 38 L HA -0.115 4.221 4.340 -0.005 0.000 0.208 38 L C 2.238 179.088 176.870 -0.032 0.000 1.085 38 L CA 2.313 57.130 54.840 -0.037 0.000 0.755 38 L CB -0.513 41.531 42.059 -0.025 0.000 0.904 38 L HN 0.532 nan 8.230 nan 0.000 0.435 39 E N -1.295 118.870 120.200 -0.058 0.000 2.112 39 E HA -0.200 4.147 4.350 -0.005 0.000 0.190 39 E C 2.078 178.652 176.600 -0.043 0.000 0.979 39 E CA 0.888 57.266 56.400 -0.037 0.000 0.814 39 E CB -0.113 29.557 29.700 -0.050 0.000 0.762 39 E HN 0.631 nan 8.360 nan 0.000 0.460 40 Q N 0.744 120.429 119.800 -0.192 0.000 2.061 40 Q HA -0.231 4.106 4.340 -0.005 0.000 0.204 40 Q C 2.143 178.201 176.000 0.098 0.000 0.984 40 Q CA 1.473 57.078 55.803 -0.330 0.000 0.846 40 Q CB -0.112 28.159 28.738 -0.778 0.000 0.902 40 Q HN 0.091 nan 8.270 nan 0.000 0.421 41 E N 1.042 121.275 120.200 0.055 0.000 2.153 41 E HA -0.240 4.107 4.350 -0.005 0.000 0.194 41 E C 1.848 178.517 176.600 0.114 0.000 0.988 41 E CA 1.410 57.873 56.400 0.105 0.000 0.811 41 E CB -0.008 29.724 29.700 0.053 0.000 0.746 41 E HN 0.219 nan 8.360 nan 0.000 0.466 42 Q N -0.137 119.724 119.800 0.102 0.000 2.137 42 Q HA 0.063 4.399 4.340 -0.005 0.000 0.198 42 Q C 1.656 177.768 176.000 0.187 0.000 0.960 42 Q CA 1.374 57.246 55.803 0.115 0.000 0.847 42 Q CB -0.044 28.749 28.738 0.092 0.000 0.915 42 Q HN 0.451 nan 8.270 nan 0.000 0.448 43 L N -0.143 121.233 121.223 0.255 0.000 2.592 43 L HA 0.236 4.573 4.340 -0.005 0.000 0.227 43 L C 2.012 179.097 176.870 0.358 0.000 1.127 43 L CA -0.037 55.029 54.840 0.376 0.000 0.884 43 L CB -0.081 42.205 42.059 0.378 0.000 1.065 43 L HN 0.115 nan 8.230 nan 0.000 0.457 44 R N 1.562 122.252 120.500 0.316 0.000 2.096 44 R HA -0.206 4.131 4.340 -0.005 0.000 0.240 44 R C 2.059 178.362 176.300 0.005 0.000 1.139 44 R CA 1.783 57.995 56.100 0.186 0.000 0.952 44 R CB -0.169 30.240 30.300 0.183 0.000 0.854 44 R HN 0.203 nan 8.270 nan 0.000 0.436 45 K N -0.908 119.453 120.400 -0.065 0.000 2.113 45 K HA -0.186 4.131 4.320 -0.005 0.000 0.208 45 K C 1.777 178.222 176.600 -0.259 0.000 1.047 45 K CA 1.693 57.847 56.287 -0.220 0.000 0.928 45 K CB -0.275 31.989 32.500 -0.392 0.000 0.716 45 K HN 0.488 nan 8.250 nan 0.000 0.446 46 H N 0.214 119.312 119.070 0.047 0.000 2.548 46 H HA 0.089 4.642 4.556 -0.005 0.000 0.265 46 H C 0.331 175.677 175.328 0.030 0.000 0.969 46 H CA 0.248 56.329 56.048 0.055 0.000 1.155 46 H CB 0.153 29.966 29.762 0.085 0.000 1.394 46 H HN 0.078 nan 8.280 nan 0.000 0.570 47 K N 1.667 122.089 120.400 0.036 0.000 2.339 47 K HA 0.212 4.529 4.320 -0.005 0.000 0.286 47 K C 0.468 177.005 176.600 -0.106 0.000 1.050 47 K CA -0.264 55.966 56.287 -0.095 0.000 0.956 47 K CB 0.683 32.955 32.500 -0.381 0.000 0.990 47 K HN 0.151 nan 8.250 nan 0.000 0.475 48 G N 3.196 111.947 108.800 -0.082 0.000 2.539 48 G HA2 0.228 4.185 3.960 -0.005 0.000 0.258 48 G HA3 0.228 4.185 3.960 -0.005 0.000 0.258 48 G C -0.823 173.964 174.900 -0.189 0.000 1.202 48 G CA -0.385 44.636 45.100 -0.131 0.000 0.851 48 G HN 0.620 nan 8.290 nan 0.000 0.556 49 E N -0.245 119.829 120.200 -0.210 0.000 2.356 49 E HA 0.256 4.603 4.350 -0.005 0.000 0.275 49 E C -1.006 175.494 176.600 -0.168 0.000 0.904 49 E CA -0.744 55.548 56.400 -0.179 0.000 0.757 49 E CB 2.337 31.943 29.700 -0.156 0.000 1.232 49 E HN 0.200 nan 8.360 nan 0.000 0.442 50 V N 2.793 122.631 119.914 -0.126 0.000 2.405 50 V HA 0.024 4.140 4.120 -0.005 0.000 0.264 50 V C 1.395 177.441 176.094 -0.080 0.000 1.048 50 V CA 0.020 62.263 62.300 -0.094 0.000 0.966 50 V CB 0.747 32.530 31.823 -0.066 0.000 1.015 50 V HN 0.559 nan 8.190 nan 0.000 0.477 51 V N 4.079 123.946 119.914 -0.078 0.000 2.407 51 V HA 0.216 4.333 4.120 -0.005 0.000 0.245 51 V C 0.952 177.016 176.094 -0.050 0.000 1.041 51 V CA 1.725 63.986 62.300 -0.066 0.000 1.040 51 V CB -0.246 31.535 31.823 -0.070 0.000 0.671 51 V HN 0.975 nan 8.190 nan 0.000 0.455 52 A N -0.959 121.835 122.820 -0.042 0.000 2.608 52 A HA 0.762 5.079 4.320 -0.005 0.000 0.292 52 A C -1.519 176.050 177.584 -0.024 0.000 1.066 52 A CA -0.429 51.587 52.037 -0.034 0.000 0.676 52 A CB 1.338 20.316 19.000 -0.037 0.000 1.277 52 A HN 0.103 nan 8.150 nan 0.000 0.413 53 I N 1.112 121.668 120.570 -0.023 0.000 2.497 53 I HA 0.318 4.485 4.170 -0.005 0.000 0.284 53 I C -0.436 175.667 176.117 -0.023 0.000 1.060 53 I CA -0.066 61.222 61.300 -0.019 0.000 1.071 53 I CB 2.008 39.997 38.000 -0.019 0.000 1.216 53 I HN 0.807 nan 8.210 nan 0.000 0.442 54 E N 7.138 127.323 120.200 -0.025 0.000 2.055 54 E HA 0.255 4.602 4.350 -0.005 0.000 0.274 54 E C -0.608 175.972 176.600 -0.032 0.000 0.949 54 E CA -0.493 55.890 56.400 -0.028 0.000 0.775 54 E CB 0.923 30.605 29.700 -0.031 0.000 1.097 54 E HN 0.510 nan 8.360 nan 0.000 0.404 55 E N 4.020 124.202 120.200 -0.030 0.000 2.360 55 E HA 0.158 4.505 4.350 -0.005 0.000 0.269 55 E C -0.180 176.399 176.600 -0.035 0.000 1.022 55 E CA 0.118 56.498 56.400 -0.034 0.000 0.887 55 E CB 1.091 30.775 29.700 -0.028 0.000 0.990 55 E HN 0.446 nan 8.360 nan 0.000 0.426 56 L N 0.990 122.187 121.223 -0.044 0.000 2.304 56 L HA 0.478 4.815 4.340 -0.005 0.000 0.268 56 L C 0.794 177.646 176.870 -0.029 0.000 1.010 56 L CA -1.151 53.665 54.840 -0.040 0.000 0.813 56 L CB 1.252 43.277 42.059 -0.056 0.000 1.315 56 L HN 0.560 nan 8.230 nan 0.000 0.445 57 G N 0.088 108.878 108.800 -0.017 0.000 2.378 57 G HA2 0.144 4.101 3.960 -0.005 0.000 0.255 57 G HA3 0.144 4.101 3.960 -0.005 0.000 0.255 57 G C -0.310 174.592 174.900 0.004 0.000 1.270 57 G CA -0.243 44.854 45.100 -0.005 0.000 0.876 57 G HN 0.684 nan 8.290 nan 0.000 0.521 58 E N 1.075 121.281 120.200 0.009 0.000 2.442 58 E HA 0.156 4.503 4.350 -0.005 0.000 0.262 58 E C 0.062 176.691 176.600 0.049 0.000 1.004 58 E CA 0.046 56.461 56.400 0.025 0.000 0.928 58 E CB 0.438 30.151 29.700 0.022 0.000 0.937 58 E HN 0.304 nan 8.360 nan 0.000 0.446 59 S N 3.422 119.173 115.700 0.085 0.000 2.433 59 S HA 0.098 4.565 4.470 -0.005 0.000 0.310 59 S C 0.722 175.390 174.600 0.112 0.000 1.097 59 S CA -0.763 57.500 58.200 0.105 0.000 1.103 59 S CB 1.122 64.415 63.200 0.155 0.000 0.992 59 S HN 0.570 nan 8.310 nan 0.000 0.469 60 E N 3.986 124.237 120.200 0.085 0.000 2.058 60 E HA -0.177 4.170 4.350 -0.005 0.000 0.194 60 E C 1.958 178.620 176.600 0.103 0.000 0.997 60 E CA 0.998 57.446 56.400 0.080 0.000 0.801 60 E CB -0.192 29.542 29.700 0.057 0.000 0.746 60 E HN 0.765 nan 8.360 nan 0.000 0.450 61 R N 0.763 121.326 120.500 0.106 0.000 2.083 61 R HA -0.131 4.206 4.340 -0.005 0.000 0.237 61 R C 2.350 178.764 176.300 0.189 0.000 1.137 61 R CA 1.494 57.665 56.100 0.118 0.000 0.951 61 R CB -0.166 30.188 30.300 0.090 0.000 0.851 61 R HN 0.002 nan 8.270 nan 0.000 0.434 62 V N 1.896 121.957 119.914 0.244 0.000 2.358 62 V HA -0.242 3.875 4.120 -0.005 0.000 0.246 62 V C 1.894 178.197 176.094 0.350 0.000 1.047 62 V CA 1.936 64.462 62.300 0.377 0.000 1.035 62 V CB -0.620 31.474 31.823 0.451 0.000 0.658 62 V HN 0.437 nan 8.190 nan 0.000 0.452 63 N N 0.723 119.562 118.700 0.232 0.000 2.166 63 N HA -0.125 4.611 4.740 -0.005 0.000 0.186 63 N C 1.888 177.488 175.510 0.150 0.000 1.019 63 N CA 1.683 54.838 53.050 0.174 0.000 0.856 63 N CB -0.487 38.065 38.487 0.108 0.000 0.993 63 N HN 0.500 nan 8.380 nan 0.000 0.426 64 A N 0.367 123.270 122.820 0.138 0.000 1.898 64 A HA -0.176 4.141 4.320 -0.005 0.000 0.216 64 A C 2.158 179.805 177.584 0.105 0.000 1.181 64 A CA 1.015 53.114 52.037 0.103 0.000 0.620 64 A CB -0.889 18.168 19.000 0.095 0.000 0.819 64 A HN 0.376 nan 8.150 nan 0.000 0.442 65 Y N -0.675 119.624 120.300 -0.003 0.000 2.145 65 Y HA -0.164 4.383 4.550 -0.006 0.000 0.286 65 Y C 1.756 177.525 175.900 -0.218 0.000 1.145 65 Y CA 1.659 59.685 58.100 -0.123 0.000 1.148 65 Y CB -0.538 37.820 38.460 -0.170 0.000 0.981 65 Y HN 0.260 nan 8.280 nan 0.000 0.507 66 F N 0.048 119.853 119.950 -0.242 0.000 2.615 66 F HA 0.193 4.716 4.527 -0.007 0.000 0.297 66 F C 2.109 177.789 175.800 -0.199 0.000 1.124 66 F CA 1.121 58.920 58.000 -0.334 0.000 1.451 66 F CB -0.410 38.440 39.000 -0.250 0.000 1.103 66 F HN 0.213 nan 8.300 nan 0.000 0.569 67 G N 0.860 109.679 108.800 0.031 0.000 2.153 67 G HA2 -0.297 3.659 3.960 -0.005 0.000 0.252 67 G HA3 -0.297 3.659 3.960 -0.005 0.000 0.252 67 G C 0.224 175.144 174.900 0.034 0.000 0.994 67 G CA 0.318 45.427 45.100 0.015 0.000 0.698 67 G HN 0.386 nan 8.290 nan 0.000 0.521 68 K N -1.166 119.271 120.400 0.062 0.000 2.533 68 K HA 0.494 4.811 4.320 -0.005 0.000 0.272 68 K C -0.273 176.346 176.600 0.032 0.000 0.985 68 K CA -1.161 55.144 56.287 0.029 0.000 0.876 68 K CB 1.611 34.111 32.500 0.000 0.000 1.452 68 K HN 0.133 nan 8.250 nan 0.000 0.439 69 R N 1.664 122.171 120.500 0.011 0.000 2.216 69 R HA 0.348 4.685 4.340 -0.005 0.000 0.332 69 R C -0.601 175.692 176.300 -0.012 0.000 1.056 69 R CA -0.301 55.806 56.100 0.013 0.000 0.901 69 R CB 0.145 30.450 30.300 0.008 0.000 1.039 69 R HN 0.300 nan 8.270 nan 0.000 0.456 70 L N 3.660 124.881 121.223 -0.004 0.000 2.333 70 L HA 0.413 4.750 4.340 -0.005 0.000 0.280 70 L C 0.074 176.937 176.870 -0.012 0.000 1.004 70 L CA -0.826 53.994 54.840 -0.033 0.000 0.820 70 L CB 1.782 43.795 42.059 -0.076 0.000 1.247 70 L HN 0.381 nan 8.230 nan 0.000 0.416 71 K N 3.484 123.863 120.400 -0.035 0.000 2.237 71 K HA 0.475 4.792 4.320 -0.005 0.000 0.270 71 K C -0.564 175.985 176.600 -0.086 0.000 1.015 71 K CA -0.504 55.757 56.287 -0.043 0.000 0.949 71 K CB 1.018 33.493 32.500 -0.042 0.000 0.976 71 K HN 0.509 nan 8.250 nan 0.000 0.472 72 R N 0.648 121.081 120.500 -0.112 0.000 2.740 72 R HA 0.723 5.060 4.340 -0.005 0.000 0.282 72 R C -1.109 175.103 176.300 -0.146 0.000 0.969 72 R CA -0.895 55.073 56.100 -0.221 0.000 0.918 72 R CB 2.085 32.224 30.300 -0.268 0.000 1.175 72 R HN 0.688 nan 8.270 nan 0.000 0.464 73 A N 2.422 125.152 122.820 -0.149 0.000 2.605 73 A HA 0.497 4.814 4.320 -0.005 0.000 0.294 73 A C -1.289 176.262 177.584 -0.055 0.000 1.062 73 A CA -0.735 51.254 52.037 -0.081 0.000 0.682 73 A CB 1.231 20.199 19.000 -0.054 0.000 1.278 73 A HN 0.635 nan 8.150 nan 0.000 0.410 74 I N 1.682 122.232 120.570 -0.034 0.000 2.321 74 I HA 0.442 4.609 4.170 -0.005 0.000 0.291 74 I C -0.670 175.453 176.117 0.009 0.000 0.998 74 I CA -0.754 60.539 61.300 -0.011 0.000 1.227 74 I CB 1.543 39.526 38.000 -0.029 0.000 1.368 74 I HN 0.326 nan 8.210 nan 0.000 0.466 75 V N 7.005 126.956 119.914 0.062 0.000 2.513 75 V HA 0.385 4.502 4.120 -0.005 0.000 0.299 75 V C -0.138 176.020 176.094 0.106 0.000 1.035 75 V CA -0.818 61.533 62.300 0.085 0.000 0.889 75 V CB 1.902 33.797 31.823 0.119 0.000 0.988 75 V HN 0.627 nan 8.190 nan 0.000 0.440 76 K N 5.431 125.853 120.400 0.037 0.000 2.358 76 K HA 0.706 5.022 4.320 -0.005 0.000 0.260 76 K C -1.263 175.330 176.600 -0.012 0.000 0.956 76 K CA -0.397 55.883 56.287 -0.011 0.000 0.834 76 K CB 2.159 34.625 32.500 -0.056 0.000 1.102 76 K HN 0.513 nan 8.250 nan 0.000 0.431 77 I N 2.034 122.599 120.570 -0.009 0.000 2.465 77 I HA 0.368 4.535 4.170 -0.005 0.000 0.291 77 I C -0.428 175.528 176.117 -0.269 0.000 1.014 77 I CA -1.001 60.212 61.300 -0.145 0.000 1.093 77 I CB 2.068 39.973 38.000 -0.158 0.000 1.267 77 I HN 0.619 nan 8.210 nan 0.000 0.431 78 A N 6.268 128.909 122.820 -0.298 0.000 2.260 78 A HA 0.636 4.953 4.320 -0.005 0.000 0.308 78 A C -1.425 175.988 177.584 -0.284 0.000 1.254 78 A CA -0.140 51.774 52.037 -0.206 0.000 0.874 78 A CB 0.061 18.989 19.000 -0.121 0.000 1.153 78 A HN 0.578 nan 8.150 nan 0.000 0.527 79 Y N 3.024 123.360 120.300 0.060 0.000 2.356 79 Y HA 0.373 4.920 4.550 -0.006 0.000 0.334 79 Y C -2.308 173.686 175.900 0.156 0.000 0.958 79 Y CA -2.503 55.679 58.100 0.138 0.000 1.196 79 Y CB 1.390 39.965 38.460 0.192 0.000 1.137 79 Y HN 0.516 nan 8.280 nan 0.000 0.485 80 P HA -0.042 nan 4.420 nan 0.000 0.263 80 P C 0.907 178.189 177.300 -0.029 0.000 1.195 80 P CA 0.414 63.561 63.100 0.078 0.000 0.762 80 P CB 0.720 32.447 31.700 0.046 0.000 0.799 81 T N -1.052 113.380 114.554 -0.203 0.000 3.051 81 T HA -0.101 4.246 4.350 -0.005 0.000 0.269 81 T C 1.309 175.692 174.700 -0.528 0.000 1.127 81 T CA 1.103 62.822 62.100 -0.634 0.000 1.107 81 T CB -0.956 67.721 68.868 -0.318 0.000 0.898 81 T HN 0.262 nan 8.240 nan 0.000 0.517 82 V N -0.852 118.938 119.914 -0.206 0.000 3.380 82 V HA 0.143 4.260 4.120 -0.005 0.000 0.268 82 V C 1.761 177.889 176.094 0.056 0.000 1.168 82 V CA 0.807 63.070 62.300 -0.061 0.000 1.156 82 V CB -0.974 30.825 31.823 -0.040 0.000 0.785 82 V HN 0.238 nan 8.190 nan 0.000 0.487 83 N N 1.013 119.720 118.700 0.012 0.000 2.416 83 N HA 0.208 4.945 4.740 -0.005 0.000 0.177 83 N C 0.115 175.763 175.510 0.230 0.000 1.036 83 N CA 0.821 53.992 53.050 0.202 0.000 0.901 83 N CB 0.042 38.736 38.487 0.345 0.000 0.976 83 N HN 0.844 nan 8.380 nan 0.000 0.444 84 F N -1.725 118.331 119.950 0.176 0.000 2.613 84 F HA 0.648 5.171 4.527 -0.006 0.000 0.314 84 F C 0.207 176.144 175.800 0.227 0.000 1.075 84 F CA -1.824 56.281 58.000 0.175 0.000 0.945 84 F CB 0.516 39.610 39.000 0.156 0.000 1.310 84 F HN -0.245 nan 8.300 nan 0.000 0.467 85 S N 0.446 116.387 115.700 0.401 0.000 2.593 85 S HA 0.558 5.025 4.470 -0.005 0.000 0.269 85 S C 0.243 175.122 174.600 0.465 0.000 1.334 85 S CA -0.325 58.058 58.200 0.305 0.000 1.015 85 S CB 1.130 64.460 63.200 0.216 0.000 0.912 85 S HN 1.252 nan 8.310 nan 0.000 0.541 86 A N 1.912 124.905 122.820 0.287 0.000 3.048 86 A HA 0.454 4.771 4.320 -0.005 0.000 0.264 86 A C -0.068 177.605 177.584 0.148 0.000 1.796 86 A CA -0.487 51.683 52.037 0.221 0.000 1.445 86 A CB -1.633 17.260 19.000 -0.179 0.000 1.074 86 A HN 0.914 nan 8.150 nan 0.000 0.621 87 D N -1.250 119.425 120.400 0.458 0.000 2.602 87 D HA 0.377 5.014 4.640 -0.005 0.000 0.236 87 D C 0.506 177.081 176.300 0.457 0.000 1.209 87 D CA -0.841 53.396 54.000 0.395 0.000 0.831 87 D CB 0.612 41.538 40.800 0.209 0.000 1.478 87 D HN -0.019 nan 8.370 nan 0.000 0.438 88 L N -0.087 121.348 121.223 0.354 0.000 2.083 88 L HA 0.033 4.369 4.340 -0.005 0.000 0.209 88 L C -0.792 176.196 176.870 0.196 0.000 1.083 88 L CA 1.107 56.078 54.840 0.218 0.000 0.752 88 L CB -1.309 40.823 42.059 0.121 0.000 0.899 88 L HN 0.379 nan 8.230 nan 0.000 0.433 89 P HA -0.143 nan 4.420 nan 0.000 0.217 89 P C 1.533 178.915 177.300 0.137 0.000 1.150 89 P CA 1.659 64.853 63.100 0.158 0.000 0.832 89 P CB 0.046 31.832 31.700 0.143 0.000 0.787 90 A N -0.599 122.323 122.820 0.170 0.000 1.898 90 A HA -0.166 4.151 4.320 -0.005 0.000 0.216 90 A C 2.118 179.672 177.584 -0.049 0.000 1.181 90 A CA 1.369 53.490 52.037 0.140 0.000 0.620 90 A CB -1.657 17.526 19.000 0.305 0.000 0.819 90 A HN 0.159 nan 8.150 nan 0.000 0.442 91 L N -0.089 121.132 121.223 -0.003 0.000 2.012 91 L HA -0.139 4.198 4.340 -0.005 0.000 0.210 91 L C 2.271 179.047 176.870 -0.157 0.000 1.073 91 L CA 1.832 56.544 54.840 -0.213 0.000 0.748 91 L CB -0.478 41.633 42.059 0.087 0.000 0.891 91 L HN 0.398 nan 8.230 nan 0.000 0.431 92 L N -1.593 119.645 121.223 0.026 0.000 2.046 92 L HA -0.185 4.152 4.340 -0.005 0.000 0.208 92 L C 2.450 179.349 176.870 0.049 0.000 1.077 92 L CA 1.084 55.981 54.840 0.095 0.000 0.747 92 L CB -0.660 41.521 42.059 0.204 0.000 0.896 92 L HN 0.144 nan 8.230 nan 0.000 0.432 93 V N -0.560 119.363 119.914 0.015 0.000 2.427 93 V HA -0.253 3.863 4.120 -0.005 0.000 0.248 93 V C 2.533 178.581 176.094 -0.076 0.000 1.051 93 V CA 2.233 64.530 62.300 -0.004 0.000 1.048 93 V CB -0.646 31.189 31.823 0.019 0.000 0.666 93 V HN 0.480 nan 8.190 nan 0.000 0.456 94 T N 0.065 114.503 114.554 -0.194 0.000 2.737 94 T HA -0.153 4.194 4.350 -0.005 0.000 0.265 94 T C 1.946 176.366 174.700 -0.467 0.000 1.038 94 T CA 2.084 63.983 62.100 -0.334 0.000 1.144 94 T CB -0.359 68.150 68.868 -0.599 0.000 0.866 94 T HN 0.740 nan 8.240 nan 0.000 0.434 95 T N -1.685 112.614 114.554 -0.425 0.000 3.067 95 T HA 0.176 4.523 4.350 -0.005 0.000 0.257 95 T C 0.494 175.334 174.700 0.234 0.000 1.105 95 T CA 0.167 62.098 62.100 -0.281 0.000 1.104 95 T CB -0.105 68.634 68.868 -0.214 0.000 0.925 95 T HN 0.220 nan 8.240 nan 0.000 0.498 96 F N 0.806 120.730 119.950 -0.043 0.000 2.453 96 F HA 0.583 5.108 4.527 -0.004 0.000 0.382 96 F C 0.952 176.746 175.800 -0.010 0.000 1.495 96 F CA -1.424 56.589 58.000 0.022 0.000 1.071 96 F CB 0.313 39.347 39.000 0.056 0.000 1.577 96 F HN 0.123 nan 8.300 nan 0.000 0.508 97 G N 0.624 109.394 108.800 -0.050 0.000 2.549 97 G HA2 -0.024 3.933 3.960 -0.005 0.000 0.219 97 G HA3 -0.024 3.933 3.960 -0.005 0.000 0.219 97 G C 1.365 176.171 174.900 -0.157 0.000 1.677 97 G CA 0.405 45.453 45.100 -0.087 0.000 0.929 97 G HN 0.219 nan 8.290 nan 0.000 0.549 98 K N -0.327 120.011 120.400 -0.103 0.000 2.147 98 K HA -0.013 4.304 4.320 -0.005 0.000 0.205 98 K C 2.421 178.928 176.600 -0.154 0.000 1.049 98 K CA 1.005 57.230 56.287 -0.103 0.000 0.936 98 K CB -0.235 32.234 32.500 -0.052 0.000 0.722 98 K HN 0.191 nan 8.250 nan 0.000 0.446 99 L N 1.496 122.619 121.223 -0.166 0.000 2.191 99 L HA -0.132 4.205 4.340 -0.005 0.000 0.212 99 L C 2.065 178.695 176.870 -0.399 0.000 1.103 99 L CA 2.069 56.793 54.840 -0.193 0.000 0.769 99 L CB -0.610 41.396 42.059 -0.089 0.000 0.908 99 L HN 0.330 nan 8.230 nan 0.000 0.438 100 S N -1.577 113.670 115.700 -0.756 0.000 2.507 100 S HA -0.096 4.370 4.470 -0.005 0.000 0.235 100 S C 1.656 176.001 174.600 -0.424 0.000 0.988 100 S CA 1.045 58.609 58.200 -1.061 0.000 0.944 100 S CB -0.629 61.887 63.200 -1.140 0.000 0.762 100 S HN 0.539 nan 8.310 nan 0.000 0.526 101 L N 0.535 121.593 121.223 -0.276 0.000 2.585 101 L HA 0.329 4.665 4.340 -0.005 0.000 0.226 101 L C 0.856 177.666 176.870 -0.100 0.000 1.113 101 L CA 0.047 54.791 54.840 -0.160 0.000 0.876 101 L CB -0.198 41.785 42.059 -0.126 0.000 1.072 101 L HN 0.138 nan 8.230 nan 0.000 0.468 102 D N 1.551 121.895 120.400 -0.093 0.000 2.934 102 D HA 0.263 4.900 4.640 -0.005 0.000 0.237 102 D C 1.130 177.436 176.300 0.009 0.000 1.158 102 D CA 0.823 54.796 54.000 -0.044 0.000 0.971 102 D CB -0.222 40.545 40.800 -0.055 0.000 1.123 102 D HN 0.317 nan 8.370 nan 0.000 0.467 103 G N 1.870 110.690 108.800 0.033 0.000 2.550 103 G HA2 -0.305 3.652 3.960 -0.005 0.000 0.277 103 G HA3 -0.305 3.652 3.960 -0.005 0.000 0.277 103 G C -0.114 174.952 174.900 0.278 0.000 1.190 103 G CA -0.286 44.877 45.100 0.106 0.000 0.971 103 G HN 0.398 nan 8.290 nan 0.000 0.559 104 E N 0.532 120.853 120.200 0.202 0.000 1.893 104 E HA 0.542 4.888 4.350 -0.005 0.000 0.269 104 E C -0.207 176.510 176.600 0.195 0.000 1.129 104 E CA 0.062 56.569 56.400 0.178 0.000 0.904 104 E CB 1.125 30.777 29.700 -0.078 0.000 1.077 104 E HN 0.666 nan 8.360 nan 0.000 0.407 105 V N 3.085 123.170 119.914 0.285 0.000 2.623 105 V HA 0.484 4.601 4.120 -0.005 0.000 0.304 105 V C -0.398 175.959 176.094 0.437 0.000 1.054 105 V CA -0.972 61.506 62.300 0.296 0.000 0.882 105 V CB 2.142 34.103 31.823 0.230 0.000 1.002 105 V HN 0.450 nan 8.190 nan 0.000 0.424 106 R N 3.672 124.366 120.500 0.322 0.000 2.561 106 R HA 0.665 5.002 4.340 -0.005 0.000 0.297 106 R C -1.520 174.779 176.300 -0.001 0.000 0.969 106 R CA -0.842 55.369 56.100 0.185 0.000 0.879 106 R CB 1.759 32.116 30.300 0.095 0.000 1.178 106 R HN 0.624 nan 8.270 nan 0.000 0.445 107 L N 6.264 127.215 121.223 -0.452 0.000 2.315 107 L HA 0.221 4.558 4.340 -0.005 0.000 0.283 107 L C -0.083 176.585 176.870 -0.336 0.000 1.089 107 L CA 0.353 54.874 54.840 -0.533 0.000 0.833 107 L CB 0.881 42.323 42.059 -1.029 0.000 1.170 107 L HN 0.872 nan 8.230 nan 0.000 0.442 108 L N 2.848 123.910 121.223 -0.268 0.000 2.253 108 L HA 0.346 4.682 4.340 -0.005 0.000 0.205 108 L C 0.105 176.864 176.870 -0.184 0.000 1.078 108 L CA 0.260 54.988 54.840 -0.186 0.000 0.805 108 L CB 0.005 41.980 42.059 -0.140 0.000 0.963 108 L HN 0.635 nan 8.230 nan 0.000 0.459 109 D N -1.382 118.869 120.400 -0.248 0.000 2.653 109 D HA 0.515 5.151 4.640 -0.005 0.000 0.258 109 D C -1.607 174.520 176.300 -0.289 0.000 1.252 109 D CA -0.344 53.526 54.000 -0.217 0.000 0.777 109 D CB 1.867 42.557 40.800 -0.184 0.000 1.339 109 D HN -0.212 nan 8.370 nan 0.000 0.422 110 L N 1.387 122.426 121.223 -0.307 0.000 2.436 110 L HA 0.489 4.826 4.340 -0.005 0.000 0.268 110 L C -0.559 175.840 176.870 -0.786 0.000 0.974 110 L CA -0.662 53.899 54.840 -0.466 0.000 0.826 110 L CB 2.221 44.076 42.059 -0.341 0.000 1.291 110 L HN 0.278 nan 8.230 nan 0.000 0.406 111 E N 2.879 122.645 120.200 -0.724 0.000 2.187 111 E HA 0.549 4.896 4.350 -0.005 0.000 0.268 111 E C -1.601 174.624 176.600 -0.624 0.000 0.896 111 E CA -0.599 55.410 56.400 -0.653 0.000 0.766 111 E CB 2.387 31.913 29.700 -0.290 0.000 1.142 111 E HN 0.205 nan 8.360 nan 0.000 0.408 112 F N 1.803 121.791 119.950 0.062 0.000 2.492 112 F HA 0.443 4.968 4.527 -0.003 0.000 0.327 112 F C -2.131 173.752 175.800 0.139 0.000 1.079 112 F CA -2.955 55.111 58.000 0.111 0.000 0.967 112 F CB 0.510 39.713 39.000 0.337 0.000 1.169 112 F HN 0.198 nan 8.300 nan 0.000 0.472 113 P HA 0.085 nan 4.420 nan 0.000 0.271 113 P C 0.262 177.733 177.300 0.285 0.000 1.216 113 P CA 0.026 63.265 63.100 0.232 0.000 0.776 113 P CB 0.824 32.644 31.700 0.200 0.000 0.881 114 D N 2.072 122.577 120.400 0.174 0.000 2.149 114 D HA -0.265 4.372 4.640 -0.005 0.000 0.194 114 D C 1.557 177.943 176.300 0.143 0.000 1.001 114 D CA 1.567 55.643 54.000 0.127 0.000 0.849 114 D CB -0.025 40.806 40.800 0.051 0.000 0.939 114 D HN 0.575 nan 8.370 nan 0.000 0.449 115 E N -1.339 118.954 120.200 0.154 0.000 2.160 115 E HA -0.209 4.138 4.350 -0.005 0.000 0.195 115 E C 1.761 178.487 176.600 0.211 0.000 0.991 115 E CA 0.986 57.471 56.400 0.142 0.000 0.810 115 E CB -0.318 29.458 29.700 0.126 0.000 0.742 115 E HN 0.571 nan 8.360 nan 0.000 0.466 116 W N 1.351 122.731 121.300 0.134 0.000 2.443 116 W HA -0.003 4.654 4.660 -0.005 0.000 0.296 116 W C 1.918 178.605 176.519 0.280 0.000 1.202 116 W CA 1.337 58.800 57.345 0.197 0.000 1.312 116 W CB 0.151 29.760 29.460 0.247 0.000 1.120 116 W HN -0.086 nan 8.180 nan 0.000 0.536 117 K N -0.022 120.635 120.400 0.428 0.000 2.103 117 K HA -0.231 4.085 4.320 -0.005 0.000 0.207 117 K C 1.986 178.747 176.600 0.267 0.000 1.048 117 K CA 1.570 58.068 56.287 0.350 0.000 0.930 117 K CB -0.390 32.239 32.500 0.215 0.000 0.716 117 K HN 0.021 nan 8.250 nan 0.000 0.444 118 R N 1.518 122.073 120.500 0.092 0.000 2.249 118 R HA -0.125 4.212 4.340 -0.005 0.000 0.230 118 R C 1.511 177.779 176.300 -0.053 0.000 1.121 118 R CA 1.160 57.269 56.100 0.015 0.000 0.997 118 R CB 0.097 30.387 30.300 -0.016 0.000 0.867 118 R HN 0.286 nan 8.270 nan 0.000 0.465 119 Q N -0.900 118.788 119.800 -0.186 0.000 2.403 119 Q HA 0.051 4.387 4.340 -0.005 0.000 0.203 119 Q C -0.717 174.788 176.000 -0.824 0.000 0.932 119 Q CA 0.190 55.688 55.803 -0.509 0.000 0.945 119 Q CB 0.439 28.738 28.738 -0.732 0.000 1.045 119 Q HN 0.155 nan 8.270 nan 0.000 0.511 120 F N 0.338 120.200 119.950 -0.147 0.000 2.522 120 F HA 0.268 4.792 4.527 -0.004 0.000 0.324 120 F C -1.476 174.328 175.800 0.006 0.000 1.077 120 F CA -2.512 55.409 58.000 -0.133 0.000 0.944 120 F CB 1.253 40.119 39.000 -0.223 0.000 1.175 120 F HN -0.202 nan 8.300 nan 0.000 0.468 121 P HA 0.088 nan 4.420 nan 0.000 0.218 121 P C 0.532 177.833 177.300 0.002 0.000 1.152 121 P CA 1.402 64.502 63.100 0.001 0.000 0.826 121 P CB 0.375 32.032 31.700 -0.073 0.000 0.790 122 G N 0.626 109.247 108.800 -0.298 0.000 2.855 122 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.352 122 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.352 122 G C -2.983 171.829 174.900 -0.146 0.000 1.415 122 G CA -0.599 44.277 45.100 -0.373 0.000 0.871 122 G HN 0.144 nan 8.290 nan 0.000 0.543 123 P HA 0.260 nan 4.420 nan 0.000 0.269 123 P C 0.831 178.075 177.300 -0.093 0.000 1.209 123 P CA -0.172 62.891 63.100 -0.063 0.000 0.776 123 P CB 0.788 32.469 31.700 -0.032 0.000 0.876 124 R N 1.898 122.304 120.500 -0.156 0.000 2.119 124 R HA 0.001 4.338 4.340 -0.005 0.000 0.222 124 R C 0.768 176.723 176.300 -0.575 0.000 1.088 124 R CA 1.605 57.469 56.100 -0.394 0.000 0.984 124 R CB -0.148 29.818 30.300 -0.558 0.000 0.884 124 R HN 0.406 nan 8.270 nan 0.000 0.447 125 F N -0.723 119.200 119.950 -0.046 0.000 2.537 125 F HA 0.381 4.904 4.527 -0.006 0.000 0.277 125 F C 1.386 177.135 175.800 -0.084 0.000 1.013 125 F CA 0.658 58.626 58.000 -0.054 0.000 1.332 125 F CB -0.271 38.698 39.000 -0.052 0.000 1.108 125 F HN 0.247 nan 8.300 nan 0.000 0.679 126 G N 1.374 110.212 108.800 0.063 0.000 2.752 126 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.234 126 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.234 126 G C 0.812 175.624 174.900 -0.147 0.000 1.367 126 G CA -0.103 44.959 45.100 -0.063 0.000 0.879 126 G HN 0.228 nan 8.290 nan 0.000 0.563 127 I N 0.223 120.603 120.570 -0.316 0.000 2.127 127 I HA -0.188 3.979 4.170 -0.005 0.000 0.241 127 I C 2.507 178.461 176.117 -0.271 0.000 1.075 127 I CA 2.134 63.076 61.300 -0.597 0.000 1.334 127 I CB -0.431 37.097 38.000 -0.788 0.000 1.040 127 I HN 0.544 nan 8.210 nan 0.000 0.405 128 D N 0.950 121.249 120.400 -0.168 0.000 2.117 128 D HA -0.141 4.496 4.640 -0.005 0.000 0.197 128 D C 2.170 178.478 176.300 0.013 0.000 0.987 128 D CA 1.723 55.673 54.000 -0.083 0.000 0.829 128 D CB -0.581 40.191 40.800 -0.047 0.000 0.961 128 D HN 0.438 nan 8.370 nan 0.000 0.460 129 G N 1.126 109.964 108.800 0.063 0.000 2.418 129 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.217 129 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.217 129 G C 1.611 176.563 174.900 0.087 0.000 1.158 129 G CA 0.201 45.401 45.100 0.168 0.000 0.771 129 G HN 0.157 nan 8.290 nan 0.000 0.545 130 I N 0.714 121.316 120.570 0.054 0.000 2.252 130 I HA -0.028 4.139 4.170 -0.005 0.000 0.245 130 I C 2.760 178.954 176.117 0.128 0.000 1.102 130 I CA 0.810 62.138 61.300 0.047 0.000 1.385 130 I CB -0.962 37.068 38.000 0.050 0.000 1.064 130 I HN 0.172 nan 8.210 nan 0.000 0.414 131 R N 0.539 121.138 120.500 0.165 0.000 2.105 131 R HA -0.182 4.155 4.340 -0.005 0.000 0.239 131 R C 1.837 178.247 176.300 0.183 0.000 1.135 131 R CA 1.471 57.661 56.100 0.150 0.000 0.967 131 R CB -0.172 30.111 30.300 -0.029 0.000 0.861 131 R HN 0.377 nan 8.270 nan 0.000 0.442 132 D N -0.143 120.358 120.400 0.168 0.000 2.123 132 D HA -0.091 4.545 4.640 -0.005 0.000 0.200 132 D C 1.977 178.324 176.300 0.077 0.000 0.976 132 D CA 0.815 54.915 54.000 0.168 0.000 0.831 132 D CB -0.062 40.824 40.800 0.144 0.000 0.974 132 D HN 0.002 nan 8.370 nan 0.000 0.469 133 R N 0.476 120.992 120.500 0.027 0.000 2.127 133 R HA -0.051 4.286 4.340 -0.005 0.000 0.238 133 R C 2.030 178.326 176.300 -0.006 0.000 1.134 133 R CA 0.357 56.436 56.100 -0.034 0.000 0.975 133 R CB -0.774 29.446 30.300 -0.134 0.000 0.865 133 R HN 0.161 nan 8.270 nan 0.000 0.447 134 V N -0.391 119.545 119.914 0.036 0.000 3.590 134 V HA 0.176 4.293 4.120 -0.005 0.000 0.265 134 V C 0.719 176.847 176.094 0.056 0.000 1.239 134 V CA 1.028 63.352 62.300 0.039 0.000 1.117 134 V CB 0.041 31.894 31.823 0.050 0.000 0.818 134 V HN 0.590 nan 8.190 nan 0.000 0.451 135 G N 0.733 109.583 108.800 0.084 0.000 2.198 135 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.257 135 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.257 135 G C -0.058 174.919 174.900 0.129 0.000 1.042 135 G CA 0.358 45.512 45.100 0.090 0.000 0.791 135 G HN 0.781 nan 8.290 nan 0.000 0.502 136 V N 0.899 120.929 119.914 0.194 0.000 2.407 136 V HA 0.616 4.733 4.120 -0.005 0.000 0.291 136 V C -0.051 176.222 176.094 0.299 0.000 1.018 136 V CA -0.981 61.435 62.300 0.194 0.000 0.842 136 V CB 1.545 33.436 31.823 0.113 0.000 0.996 136 V HN 0.404 nan 8.190 nan 0.000 0.426 137 H N 2.947 122.055 119.070 0.064 0.000 2.651 137 H HA 0.591 5.144 4.556 -0.005 0.000 0.353 137 H C 0.773 176.140 175.328 0.066 0.000 1.178 137 H CA 0.001 56.089 56.048 0.067 0.000 1.224 137 H CB 1.380 31.172 29.762 0.050 0.000 1.702 137 H HN 0.744 nan 8.280 nan 0.000 0.550 138 N N -0.859 117.918 118.700 0.129 0.000 3.078 138 N HA -0.304 4.433 4.740 -0.005 0.000 0.221 138 N C -0.185 175.378 175.510 0.088 0.000 0.163 138 N CA 2.041 55.148 53.050 0.096 0.000 3.866 138 N CB -0.959 37.590 38.487 0.102 0.000 1.005 138 N HN 0.723 nan 8.380 nan 0.000 0.246 139 R N 3.315 123.870 120.500 0.093 0.000 2.641 139 R HA 0.402 4.739 4.340 -0.005 0.000 0.269 139 R C -2.572 173.785 176.300 0.094 0.000 1.074 139 R CA -1.175 54.975 56.100 0.083 0.000 1.133 139 R CB 0.068 30.409 30.300 0.069 0.000 1.029 139 R HN 0.234 nan 8.270 nan 0.000 0.488 140 P HA 0.002 nan 4.420 nan 0.000 0.270 140 P C -0.302 177.017 177.300 0.032 0.000 1.223 140 P CA -0.139 63.020 63.100 0.097 0.000 0.785 140 P CB 0.643 32.398 31.700 0.091 0.000 0.923 141 L N 0.745 121.942 121.223 -0.043 0.000 2.468 141 L HA 0.445 4.782 4.340 -0.005 0.000 0.254 141 L C 0.533 177.319 176.870 -0.140 0.000 1.171 141 L CA -0.818 53.952 54.840 -0.117 0.000 0.809 141 L CB 0.169 42.072 42.059 -0.259 0.000 1.155 141 L HN 0.265 nan 8.230 nan 0.000 0.473 142 L N 2.311 123.441 121.223 -0.154 0.000 2.409 142 L HA 0.592 4.929 4.340 -0.005 0.000 0.272 142 L C -0.595 176.132 176.870 -0.238 0.000 0.980 142 L CA -0.282 54.434 54.840 -0.207 0.000 0.826 142 L CB 1.699 43.662 42.059 -0.160 0.000 1.268 142 L HN 0.647 nan 8.230 nan 0.000 0.407 143 M N 2.850 122.270 119.600 -0.300 0.000 2.619 143 M HA 0.945 5.422 4.480 -0.005 0.000 0.297 143 M C -1.019 175.091 176.300 -0.316 0.000 1.229 143 M CA -0.360 54.772 55.300 -0.279 0.000 0.860 143 M CB 2.316 34.754 32.600 -0.270 0.000 1.741 143 M HN 0.607 nan 8.290 nan 0.000 0.462 144 S N 0.900 116.439 115.700 -0.269 0.000 2.685 144 S HA 0.870 5.337 4.470 -0.005 0.000 0.282 144 S C -0.987 173.505 174.600 -0.180 0.000 1.159 144 S CA -0.873 57.170 58.200 -0.261 0.000 0.833 144 S CB 1.658 64.671 63.200 -0.313 0.000 1.151 144 S HN 0.794 nan 8.310 nan 0.000 0.485 145 I N 0.864 121.377 120.570 -0.096 0.000 2.569 145 I HA 0.450 4.616 4.170 -0.005 0.000 0.296 145 I C -0.874 175.334 176.117 0.152 0.000 1.028 145 I CA -0.837 60.477 61.300 0.024 0.000 1.082 145 I CB 1.431 39.476 38.000 0.075 0.000 1.264 145 I HN 0.570 nan 8.210 nan 0.000 0.429 146 F N 3.929 123.954 119.950 0.125 0.000 2.602 146 F HA 0.112 4.636 4.527 -0.005 0.000 0.367 146 F C 0.705 176.529 175.800 0.040 0.000 1.126 146 F CA 0.424 58.485 58.000 0.101 0.000 1.321 146 F CB 0.356 39.384 39.000 0.046 0.000 1.094 146 F HN 0.353 nan 8.300 nan 0.000 0.594 147 K N 1.357 121.795 120.400 0.064 0.000 2.221 147 K HA 0.509 4.825 4.320 -0.005 0.000 0.258 147 K C 0.433 177.051 176.600 0.030 0.000 0.944 147 K CA -0.237 56.021 56.287 -0.048 0.000 0.823 147 K CB 1.546 33.843 32.500 -0.339 0.000 1.113 147 K HN 0.802 nan 8.250 nan 0.000 0.431 148 G N 3.808 112.631 108.800 0.038 0.000 2.356 148 G HA2 -0.268 3.688 3.960 -0.005 0.000 0.296 148 G HA3 -0.268 3.688 3.960 -0.005 0.000 0.296 148 G C 0.270 175.177 174.900 0.012 0.000 1.022 148 G CA 0.756 45.870 45.100 0.023 0.000 0.961 148 G HN 0.653 nan 8.290 nan 0.000 0.510 149 M N -0.286 119.330 119.600 0.026 0.000 2.447 149 M HA 0.359 4.836 4.480 -0.005 0.000 0.264 149 M C 1.529 177.795 176.300 -0.057 0.000 1.095 149 M CA 0.238 55.528 55.300 -0.017 0.000 1.125 149 M CB 0.067 32.617 32.600 -0.083 0.000 1.389 149 M HN 0.339 nan 8.290 nan 0.000 0.459 150 I N 1.147 121.696 120.570 -0.036 0.000 2.742 150 I HA 0.057 4.224 4.170 -0.005 0.000 0.287 150 I C 1.349 177.439 176.117 -0.046 0.000 1.186 150 I CA 0.932 62.218 61.300 -0.023 0.000 1.417 150 I CB -0.490 37.514 38.000 0.007 0.000 1.377 150 I HN 0.682 nan 8.210 nan 0.000 0.556 151 G N 5.049 113.825 108.800 -0.040 0.000 2.175 151 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.244 151 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.244 151 G C 0.452 175.297 174.900 -0.091 0.000 0.982 151 G CA -0.479 44.588 45.100 -0.054 0.000 0.641 151 G HN 0.517 nan 8.290 nan 0.000 0.527 152 R N 0.897 121.326 120.500 -0.117 0.000 2.553 152 R HA 0.583 4.920 4.340 -0.005 0.000 0.263 152 R C 0.180 176.444 176.300 -0.059 0.000 1.066 152 R CA 0.175 56.179 56.100 -0.160 0.000 1.135 152 R CB 0.564 30.712 30.300 -0.254 0.000 1.148 152 R HN 0.525 nan 8.270 nan 0.000 0.558 153 D N -1.191 119.200 120.400 -0.014 0.000 2.494 153 D HA 0.167 4.804 4.640 -0.005 0.000 0.259 153 D C 1.215 177.545 176.300 0.050 0.000 1.109 153 D CA -0.750 53.262 54.000 0.020 0.000 1.040 153 D CB 0.480 41.293 40.800 0.021 0.000 1.175 153 D HN 0.285 nan 8.370 nan 0.000 0.584 154 L N -0.228 121.012 121.223 0.028 0.000 2.079 154 L HA -0.130 4.206 4.340 -0.005 0.000 0.210 154 L C 2.443 179.332 176.870 0.031 0.000 1.081 154 L CA 1.696 56.546 54.840 0.017 0.000 0.752 154 L CB -0.620 41.445 42.059 0.010 0.000 0.896 154 L HN 0.629 nan 8.230 nan 0.000 0.433 155 A N -0.929 121.922 122.820 0.052 0.000 1.933 155 A HA -0.269 4.047 4.320 -0.005 0.000 0.218 155 A C 2.163 179.789 177.584 0.069 0.000 1.175 155 A CA 1.415 53.483 52.037 0.051 0.000 0.628 155 A CB -0.761 18.273 19.000 0.057 0.000 0.814 155 A HN 0.438 nan 8.150 nan 0.000 0.444 156 Y N -0.115 120.177 120.300 -0.014 0.000 2.200 156 Y HA -0.099 4.447 4.550 -0.005 0.000 0.290 156 Y C 2.087 177.989 175.900 0.004 0.000 1.137 156 Y CA 1.656 59.752 58.100 -0.006 0.000 1.163 156 Y CB -0.222 38.227 38.460 -0.018 0.000 0.988 156 Y HN 0.290 nan 8.280 nan 0.000 0.518 157 L N -0.445 120.823 121.223 0.075 0.000 2.012 157 L HA -0.257 4.080 4.340 -0.005 0.000 0.210 157 L C 2.499 179.383 176.870 0.023 0.000 1.073 157 L CA 2.441 57.258 54.840 -0.040 0.000 0.748 157 L CB -0.858 41.100 42.059 -0.168 0.000 0.891 157 L HN 0.473 nan 8.230 nan 0.000 0.431 158 T N -2.923 111.623 114.554 -0.013 0.000 2.746 158 T HA -0.191 4.156 4.350 -0.005 0.000 0.267 158 T C 2.015 176.692 174.700 -0.038 0.000 1.039 158 T CA 1.498 63.586 62.100 -0.019 0.000 1.142 158 T CB -0.947 67.910 68.868 -0.018 0.000 0.866 158 T HN 0.618 nan 8.240 nan 0.000 0.444 159 S N 1.744 117.398 115.700 -0.077 0.000 2.368 159 S HA -0.109 4.358 4.470 -0.005 0.000 0.224 159 S C 2.054 176.573 174.600 -0.135 0.000 1.029 159 S CA 0.831 58.962 58.200 -0.116 0.000 0.988 159 S CB -0.480 62.623 63.200 -0.161 0.000 0.838 159 S HN 0.429 nan 8.310 nan 0.000 0.462 160 E N 1.089 121.190 120.200 -0.165 0.000 2.106 160 E HA 0.007 4.354 4.350 -0.005 0.000 0.192 160 E C 2.030 178.595 176.600 -0.058 0.000 0.984 160 E CA 0.647 56.993 56.400 -0.090 0.000 0.806 160 E CB -0.518 29.181 29.700 -0.002 0.000 0.750 160 E HN 0.476 nan 8.360 nan 0.000 0.458 161 L N 1.640 122.867 121.223 0.005 0.000 2.056 161 L HA -0.140 4.197 4.340 -0.005 0.000 0.207 161 L C 1.944 178.724 176.870 -0.150 0.000 1.078 161 L CA 1.801 56.544 54.840 -0.163 0.000 0.749 161 L CB -0.250 41.775 42.059 -0.056 0.000 0.901 161 L HN -0.083 nan 8.230 nan 0.000 0.433 162 K N -0.558 119.788 120.400 -0.091 0.000 2.057 162 K HA -0.174 4.142 4.320 -0.005 0.000 0.207 162 K C 2.095 178.646 176.600 -0.082 0.000 1.049 162 K CA 1.563 57.804 56.287 -0.077 0.000 0.931 162 K CB -0.147 32.319 32.500 -0.056 0.000 0.714 162 K HN 0.299 nan 8.250 nan 0.000 0.440 163 K N 0.991 121.342 120.400 -0.081 0.000 2.032 163 K HA -0.221 4.095 4.320 -0.005 0.000 0.209 163 K C 2.285 178.829 176.600 -0.093 0.000 1.048 163 K CA 1.693 57.939 56.287 -0.069 0.000 0.927 163 K CB -0.072 32.403 32.500 -0.042 0.000 0.712 163 K HN 0.209 nan 8.250 nan 0.000 0.441 164 Q N -0.085 119.634 119.800 -0.135 0.000 2.079 164 Q HA -0.104 4.233 4.340 -0.005 0.000 0.200 164 Q C 2.171 178.080 176.000 -0.152 0.000 0.974 164 Q CA 1.435 57.128 55.803 -0.183 0.000 0.840 164 Q CB -0.129 28.442 28.738 -0.279 0.000 0.898 164 Q HN 0.349 nan 8.270 nan 0.000 0.430 165 A N 0.697 123.434 122.820 -0.137 0.000 1.930 165 A HA -0.129 4.188 4.320 -0.005 0.000 0.217 165 A C 1.995 179.535 177.584 -0.073 0.000 1.175 165 A CA 0.979 52.958 52.037 -0.097 0.000 0.627 165 A CB -0.574 18.380 19.000 -0.078 0.000 0.815 165 A HN 0.300 nan 8.150 nan 0.000 0.443 166 L N -0.722 120.458 121.223 -0.072 0.000 2.275 166 L HA -0.079 4.257 4.340 -0.005 0.000 0.215 166 L C 2.471 179.304 176.870 -0.062 0.000 1.119 166 L CA 0.727 55.531 54.840 -0.060 0.000 0.790 166 L CB -0.382 41.644 42.059 -0.055 0.000 0.919 166 L HN 0.503 nan 8.230 nan 0.000 0.443 167 G N -1.215 107.540 108.800 -0.075 0.000 2.848 167 G HA2 0.184 4.141 3.960 -0.005 0.000 0.208 167 G HA3 0.184 4.141 3.960 -0.005 0.000 0.208 167 G C 1.242 176.107 174.900 -0.058 0.000 1.152 167 G CA 0.510 45.566 45.100 -0.074 0.000 0.789 167 G HN 0.495 nan 8.290 nan 0.000 0.531 168 G N -0.941 107.825 108.800 -0.057 0.000 2.141 168 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.231 168 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.231 168 G C 0.501 175.370 174.900 -0.052 0.000 0.984 168 G CA 0.402 45.477 45.100 -0.042 0.000 0.660 168 G HN 1.444 nan 8.290 nan 0.000 0.525 169 V N -1.955 117.908 119.914 -0.085 0.000 2.811 169 V HA 0.527 4.644 4.120 -0.005 0.000 0.302 169 V C 1.136 177.174 176.094 -0.093 0.000 1.063 169 V CA 0.556 62.787 62.300 -0.115 0.000 1.088 169 V CB 1.217 32.937 31.823 -0.171 0.000 0.982 169 V HN 0.092 nan 8.190 nan 0.000 0.485 170 D N 1.901 122.243 120.400 -0.098 0.000 2.249 170 D HA 0.197 4.834 4.640 -0.005 0.000 0.205 170 D C 0.285 176.538 176.300 -0.079 0.000 0.962 170 D CA 1.146 55.104 54.000 -0.070 0.000 0.860 170 D CB 0.797 41.557 40.800 -0.067 0.000 0.955 170 D HN 0.595 nan 8.370 nan 0.000 0.505 171 L N 0.450 121.599 121.223 -0.123 0.000 2.472 171 L HA 0.379 4.715 4.340 -0.005 0.000 0.260 171 L C -1.416 175.363 176.870 -0.152 0.000 0.963 171 L CA -0.530 54.236 54.840 -0.124 0.000 0.829 171 L CB 2.346 44.304 42.059 -0.169 0.000 1.348 171 L HN -0.345 nan 8.230 nan 0.000 0.408 175 D N 1.020 121.485 120.400 0.108 0.000 2.382 175 D HA -0.000 4.637 4.640 -0.005 0.000 0.245 175 D C 1.360 177.587 176.300 -0.122 0.000 1.120 175 D CA 0.065 54.079 54.000 0.023 0.000 0.890 175 D CB 1.027 41.839 40.800 0.020 0.000 1.201 175 D HN 0.339 nan 8.370 nan 0.000 0.433 176 E N 3.751 123.821 120.200 -0.216 0.000 2.333 176 E HA -0.173 4.174 4.350 -0.005 0.000 0.198 176 E C 1.453 177.808 176.600 -0.409 0.000 1.007 176 E CA 0.908 57.066 56.400 -0.403 0.000 0.845 176 E CB -0.525 28.655 29.700 -0.866 0.000 0.766 176 E HN 0.721 nan 8.360 nan 0.000 0.507 177 I N -1.170 119.219 120.570 -0.302 0.000 3.861 177 I HA 0.266 4.432 4.170 -0.005 0.000 0.329 177 I C 0.390 176.210 176.117 -0.495 0.000 1.321 177 I CA -0.672 60.457 61.300 -0.286 0.000 1.126 177 I CB -0.012 37.999 38.000 0.018 0.000 1.018 177 I HN -0.137 nan 8.210 nan 0.000 0.407 178 L N 2.204 123.092 121.223 -0.558 0.000 2.261 178 L HA 0.524 4.861 4.340 -0.005 0.000 0.289 178 L C -0.864 175.651 176.870 -0.591 0.000 1.059 178 L CA 0.116 54.727 54.840 -0.382 0.000 0.816 178 L CB 0.184 42.126 42.059 -0.194 0.000 1.191 178 L HN -0.033 nan 8.230 nan 0.000 0.431 179 F N 1.810 121.768 119.950 0.012 0.000 2.497 179 F HA 0.421 4.945 4.527 -0.006 0.000 0.331 179 F C 0.648 176.465 175.800 0.028 0.000 1.060 179 F CA -0.824 57.187 58.000 0.018 0.000 0.989 179 F CB 0.605 39.608 39.000 0.005 0.000 1.245 179 F HN 0.391 nan 8.300 nan 0.000 0.486 180 D N 0.702 121.236 120.400 0.223 0.000 2.423 180 D HA 0.344 4.981 4.640 -0.005 0.000 0.238 180 D C -0.135 176.239 176.300 0.125 0.000 1.142 180 D CA 0.411 54.502 54.000 0.152 0.000 0.884 180 D CB 0.918 41.800 40.800 0.137 0.000 1.199 180 D HN 0.558 nan 8.370 nan 0.000 0.438 181 S N 0.278 116.033 115.700 0.092 0.000 2.656 181 S HA 0.261 4.728 4.470 -0.005 0.000 0.273 181 S C 0.609 175.240 174.600 0.052 0.000 1.168 181 S CA -0.790 57.449 58.200 0.065 0.000 0.817 181 S CB 1.770 65.003 63.200 0.055 0.000 1.146 181 S HN 0.205 nan 8.310 nan 0.000 0.475 182 E N 0.517 120.739 120.200 0.037 0.000 2.106 182 E HA 0.014 4.361 4.350 -0.005 0.000 0.192 182 E C 1.790 178.406 176.600 0.026 0.000 0.984 182 E CA 1.002 57.420 56.400 0.030 0.000 0.806 182 E CB -0.481 29.232 29.700 0.022 0.000 0.750 182 E HN 0.599 nan 8.360 nan 0.000 0.458 183 L N -0.230 121.005 121.223 0.021 0.000 2.109 183 L HA -0.038 4.299 4.340 -0.005 0.000 0.207 183 L C 1.175 178.054 176.870 0.015 0.000 1.086 183 L CA 0.727 55.575 54.840 0.013 0.000 0.760 183 L CB 0.018 42.078 42.059 0.002 0.000 0.910 183 L HN -0.007 nan 8.230 nan 0.000 0.437 184 L N 0.396 121.633 121.223 0.022 0.000 2.556 184 L HA 0.349 4.686 4.340 -0.005 0.000 0.243 184 L C -2.423 174.482 176.870 0.057 0.000 1.331 184 L CA -1.739 53.115 54.840 0.024 0.000 0.927 184 L CB 0.769 42.829 42.059 0.000 0.000 1.219 184 L HN -0.164 nan 8.230 nan 0.000 0.490 185 P HA -0.002 nan 4.420 nan 0.000 0.268 185 P C 0.653 178.033 177.300 0.133 0.000 1.205 185 P CA -0.196 62.964 63.100 0.099 0.000 0.771 185 P CB 0.671 32.414 31.700 0.073 0.000 0.858 186 F N 3.450 123.410 119.950 0.017 0.000 2.043 186 F HA -0.257 4.267 4.527 -0.005 0.000 0.297 186 F C 1.843 177.647 175.800 0.006 0.000 1.118 186 F CA 1.958 59.961 58.000 0.006 0.000 1.202 186 F CB -0.588 38.414 39.000 0.004 0.000 0.965 186 F HN 0.408 nan 8.300 nan 0.000 0.482 187 E N -0.155 120.009 120.200 -0.059 0.000 2.153 187 E HA -0.223 4.124 4.350 -0.005 0.000 0.194 187 E C 2.163 178.685 176.600 -0.129 0.000 0.988 187 E CA 1.346 57.640 56.400 -0.178 0.000 0.811 187 E CB -0.149 29.540 29.700 -0.017 0.000 0.746 187 E HN 0.497 nan 8.360 nan 0.000 0.466 188 K N 0.418 120.789 120.400 -0.049 0.000 2.103 188 K HA -0.042 4.275 4.320 -0.005 0.000 0.204 188 K C 2.179 178.768 176.600 -0.018 0.000 1.052 188 K CA 0.621 56.894 56.287 -0.022 0.000 0.945 188 K CB -0.005 32.498 32.500 0.005 0.000 0.722 188 K HN 0.011 nan 8.250 nan 0.000 0.443 189 R N 0.756 121.246 120.500 -0.017 0.000 2.091 189 R HA -0.110 4.227 4.340 -0.005 0.000 0.238 189 R C 2.317 178.696 176.300 0.132 0.000 1.136 189 R CA 1.312 57.453 56.100 0.069 0.000 0.959 189 R CB -0.481 29.880 30.300 0.101 0.000 0.856 189 R HN 0.223 nan 8.270 nan 0.000 0.437 190 I N 0.514 121.037 120.570 -0.077 0.000 2.142 190 I HA -0.275 3.892 4.170 -0.005 0.000 0.240 190 I C 2.729 178.841 176.117 -0.007 0.000 1.078 190 I CA 1.907 63.150 61.300 -0.095 0.000 1.343 190 I CB -0.714 37.098 38.000 -0.313 0.000 1.046 190 I HN 0.322 nan 8.210 nan 0.000 0.405 191 T N -1.763 112.769 114.554 -0.038 0.000 2.777 191 T HA -0.115 4.232 4.350 -0.005 0.000 0.266 191 T C 1.788 176.493 174.700 0.008 0.000 1.040 191 T CA 0.898 62.989 62.100 -0.015 0.000 1.141 191 T CB -0.301 68.553 68.868 -0.023 0.000 0.868 191 T HN 0.182 nan 8.240 nan 0.000 0.444 192 E N 1.489 121.696 120.200 0.012 0.000 2.072 192 E HA 0.014 4.360 4.350 -0.005 0.000 0.191 192 E C 2.568 179.177 176.600 0.014 0.000 0.985 192 E CA 1.297 57.704 56.400 0.010 0.000 0.801 192 E CB -1.042 28.661 29.700 0.005 0.000 0.750 192 E HN 0.682 nan 8.360 nan 0.000 0.452 193 G N 1.532 110.358 108.800 0.044 0.000 2.418 193 G HA2 -0.309 3.648 3.960 -0.005 0.000 0.217 193 G HA3 -0.309 3.648 3.960 -0.005 0.000 0.217 193 G C 1.642 176.571 174.900 0.047 0.000 1.158 193 G CA 1.031 46.144 45.100 0.021 0.000 0.771 193 G HN 0.246 nan 8.290 nan 0.000 0.545 194 K N 0.503 120.947 120.400 0.074 0.000 2.032 194 K HA -0.030 4.287 4.320 -0.005 0.000 0.209 194 K C 2.837 179.451 176.600 0.024 0.000 1.048 194 K CA 1.355 57.670 56.287 0.047 0.000 0.927 194 K CB -0.345 32.171 32.500 0.027 0.000 0.712 194 K HN 0.206 nan 8.250 nan 0.000 0.441 195 A N 1.042 123.872 122.820 0.016 0.000 1.883 195 A HA -0.162 4.155 4.320 -0.005 0.000 0.217 195 A C 2.350 179.940 177.584 0.011 0.000 1.186 195 A CA 2.125 54.169 52.037 0.011 0.000 0.624 195 A CB -0.976 18.028 19.000 0.007 0.000 0.822 195 A HN 0.511 nan 8.150 nan 0.000 0.444 196 A N -0.378 122.444 122.820 0.003 0.000 1.908 196 A HA -0.068 4.249 4.320 -0.005 0.000 0.218 196 A C 2.156 179.739 177.584 -0.001 0.000 1.181 196 A CA 1.583 53.616 52.037 -0.007 0.000 0.627 196 A CB -0.622 18.364 19.000 -0.023 0.000 0.818 196 A HN 0.490 nan 8.150 nan 0.000 0.445 197 L N -1.034 120.192 121.223 0.004 0.000 2.201 197 L HA -0.163 4.173 4.340 -0.005 0.000 0.212 197 L C 2.843 179.744 176.870 0.051 0.000 1.105 197 L CA 0.888 55.738 54.840 0.016 0.000 0.775 197 L CB -0.435 41.636 42.059 0.019 0.000 0.913 197 L HN 0.406 nan 8.230 nan 0.000 0.440 198 Q N 0.356 120.184 119.800 0.046 0.000 2.079 198 Q HA -0.186 4.151 4.340 -0.005 0.000 0.200 198 Q C 2.028 178.085 176.000 0.094 0.000 0.974 198 Q CA 1.441 57.287 55.803 0.071 0.000 0.840 198 Q CB 0.041 28.802 28.738 0.040 0.000 0.898 198 Q HN 0.579 nan 8.270 nan 0.000 0.430 199 E N -0.387 119.844 120.200 0.051 0.000 2.077 199 E HA -0.139 4.208 4.350 -0.005 0.000 0.193 199 E C 2.082 178.698 176.600 0.027 0.000 0.989 199 E CA 1.299 57.719 56.400 0.033 0.000 0.800 199 E CB 0.053 29.760 29.700 0.011 0.000 0.746 199 E HN 0.090 nan 8.360 nan 0.000 0.452 200 V N 0.770 120.700 119.914 0.028 0.000 2.427 200 V HA -0.264 3.853 4.120 -0.005 0.000 0.248 200 V C 2.020 178.121 176.094 0.012 0.000 1.051 200 V CA 1.764 64.069 62.300 0.007 0.000 1.048 200 V CB -0.568 31.256 31.823 0.001 0.000 0.666 200 V HN 0.306 nan 8.190 nan 0.000 0.456 201 Y N 1.505 121.792 120.300 -0.021 0.000 2.097 201 Y HA -0.229 4.317 4.550 -0.005 0.000 0.282 201 Y C 2.645 178.536 175.900 -0.015 0.000 1.152 201 Y CA 1.984 60.074 58.100 -0.017 0.000 1.136 201 Y CB -0.265 38.187 38.460 -0.013 0.000 0.975 201 Y HN 0.252 nan 8.280 nan 0.000 0.498 202 E N 0.246 120.437 120.200 -0.015 0.000 2.147 202 E HA -0.332 4.015 4.350 -0.005 0.000 0.199 202 E C 2.131 178.640 176.600 -0.152 0.000 1.005 202 E CA 1.823 58.180 56.400 -0.072 0.000 0.810 202 E CB -0.401 29.314 29.700 0.024 0.000 0.736 202 E HN 0.693 nan 8.360 nan 0.000 0.460 203 Q N -0.272 119.457 119.800 -0.120 0.000 2.062 203 Q HA -0.083 4.254 4.340 -0.005 0.000 0.196 203 Q C 1.735 177.651 176.000 -0.141 0.000 0.967 203 Q CA 1.919 57.659 55.803 -0.105 0.000 0.832 203 Q CB 0.279 28.978 28.738 -0.066 0.000 0.899 203 Q HN 0.371 nan 8.270 nan 0.000 0.442 204 T N -5.656 108.789 114.554 -0.180 0.000 3.004 204 T HA 0.339 4.686 4.350 -0.005 0.000 0.266 204 T C 1.116 175.660 174.700 -0.259 0.000 0.986 204 T CA 0.486 62.484 62.100 -0.171 0.000 0.902 204 T CB 1.035 69.840 68.868 -0.104 0.000 1.118 204 T HN 0.432 nan 8.240 nan 0.000 0.522 205 G N 1.673 110.153 108.800 -0.533 0.000 2.189 205 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.267 205 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.267 205 G C 0.016 174.761 174.900 -0.258 0.000 0.975 205 G CA 0.425 45.030 45.100 -0.824 0.000 0.644 205 G HN 0.860 nan 8.290 nan 0.000 0.537 206 K N 0.274 120.623 120.400 -0.084 0.000 2.234 206 K HA 0.652 4.969 4.320 -0.005 0.000 0.282 206 K C 0.292 177.026 176.600 0.223 0.000 1.039 206 K CA -1.077 55.258 56.287 0.080 0.000 0.928 206 K CB 0.678 33.185 32.500 0.012 0.000 1.039 206 K HN 0.191 nan 8.250 nan 0.000 0.470 207 R N 2.313 122.932 120.500 0.200 0.000 2.265 207 R HA 0.428 4.765 4.340 -0.005 0.000 0.319 207 R C -1.141 175.192 176.300 0.055 0.000 1.006 207 R CA -0.028 56.153 56.100 0.135 0.000 0.880 207 R CB 0.780 31.118 30.300 0.064 0.000 1.077 207 R HN 0.720 nan 8.270 nan 0.000 0.454 208 T N 5.483 120.058 114.554 0.035 0.000 2.848 208 T HA 0.460 4.807 4.350 -0.005 0.000 0.285 208 T C -0.485 174.219 174.700 0.007 0.000 0.995 208 T CA -0.651 61.449 62.100 0.001 0.000 0.970 208 T CB 0.943 69.796 68.868 -0.025 0.000 0.976 208 T HN 0.350 nan 8.240 nan 0.000 0.441 209 L N 2.487 123.712 121.223 0.003 0.000 2.360 209 L HA 0.581 4.918 4.340 -0.005 0.000 0.271 209 L C -0.923 175.999 176.870 0.087 0.000 1.057 209 L CA -1.217 53.641 54.840 0.030 0.000 0.803 209 L CB 0.830 42.894 42.059 0.007 0.000 1.207 209 L HN 0.574 nan 8.230 nan 0.000 0.445 210 Y N 1.700 121.972 120.300 -0.046 0.000 2.328 210 Y HA 0.613 5.159 4.550 -0.005 0.000 0.333 210 Y C -0.392 175.493 175.900 -0.025 0.000 0.958 210 Y CA -1.827 56.260 58.100 -0.022 0.000 1.167 210 Y CB 1.443 39.915 38.460 0.020 0.000 1.151 210 Y HN 0.546 nan 8.280 nan 0.000 0.470 211 A N 6.889 129.719 122.820 0.017 0.000 2.316 211 A HA 0.551 4.868 4.320 -0.005 0.000 0.311 211 A C -1.010 176.382 177.584 -0.321 0.000 1.339 211 A CA -0.523 51.410 52.037 -0.172 0.000 0.960 211 A CB -0.018 18.896 19.000 -0.144 0.000 1.152 211 A HN 0.675 nan 8.150 nan 0.000 0.547 212 V N 3.788 123.390 119.914 -0.519 0.000 2.509 212 V HA 0.222 4.338 4.120 -0.005 0.000 0.284 212 V C 0.210 176.273 176.094 -0.053 0.000 1.047 212 V CA -0.810 61.210 62.300 -0.468 0.000 0.952 212 V CB 1.226 32.687 31.823 -0.603 0.000 0.988 212 V HN 0.915 nan 8.190 nan 0.000 0.469 213 N N 4.736 123.448 118.700 0.020 0.000 2.468 213 N HA 0.122 4.859 4.740 -0.005 0.000 0.265 213 N C -0.761 174.813 175.510 0.106 0.000 1.199 213 N CA 0.052 53.126 53.050 0.040 0.000 0.928 213 N CB 0.747 39.196 38.487 -0.063 0.000 1.059 213 N HN 0.634 nan 8.380 nan 0.000 0.467 214 L N 3.982 125.243 121.223 0.064 0.000 2.272 214 L HA 0.437 4.774 4.340 -0.005 0.000 0.284 214 L C 0.264 177.126 176.870 -0.013 0.000 1.045 214 L CA -0.065 54.715 54.840 -0.099 0.000 0.842 214 L CB 0.334 42.342 42.059 -0.084 0.000 1.224 214 L HN 0.724 nan 8.230 nan 0.000 0.430 215 T N 1.277 115.789 114.554 -0.070 0.000 2.676 215 T HA 0.995 5.342 4.350 -0.005 0.000 0.269 215 T C 0.287 175.060 174.700 0.121 0.000 0.952 215 T CA -0.369 61.829 62.100 0.163 0.000 1.040 215 T CB 1.172 70.238 68.868 0.330 0.000 1.352 215 T HN 1.340 nan 8.240 nan 0.000 0.554 216 G N 0.370 109.314 108.800 0.241 0.000 2.660 216 G HA2 -0.033 3.924 3.960 -0.005 0.000 0.247 216 G HA3 -0.033 3.924 3.960 -0.005 0.000 0.247 216 G C -0.925 174.098 174.900 0.205 0.000 1.328 216 G CA -0.604 44.581 45.100 0.141 0.000 0.884 216 G HN 0.889 nan 8.290 nan 0.000 0.531 217 K N 0.124 120.601 120.400 0.128 0.000 2.382 217 K HA 0.341 4.658 4.320 -0.005 0.000 0.275 217 K C 1.860 178.559 176.600 0.165 0.000 1.009 217 K CA 0.392 56.772 56.287 0.156 0.000 0.970 217 K CB 0.428 32.997 32.500 0.116 0.000 0.934 217 K HN 0.552 nan 8.250 nan 0.000 0.479 218 T N 2.143 116.810 114.554 0.188 0.000 2.624 218 T HA -0.202 4.145 4.350 -0.005 0.000 0.268 218 T C 1.207 175.776 174.700 -0.218 0.000 1.041 218 T CA 1.693 63.788 62.100 -0.009 0.000 1.159 218 T CB -0.276 68.510 68.868 -0.138 0.000 0.863 218 T HN 0.436 nan 8.240 nan 0.000 0.434 219 F N 0.874 120.852 119.950 0.048 0.000 2.805 219 F HA 0.344 4.868 4.527 -0.005 0.000 0.301 219 F C 1.944 177.741 175.800 -0.005 0.000 1.196 219 F CA -0.002 58.006 58.000 0.014 0.000 1.439 219 F CB -0.270 38.740 39.000 0.017 0.000 1.117 219 F HN 0.166 nan 8.300 nan 0.000 0.581 220 A N -1.079 121.788 122.820 0.078 0.000 2.469 220 A HA 0.277 4.594 4.320 -0.005 0.000 0.245 220 A C 1.867 179.420 177.584 -0.052 0.000 1.221 220 A CA -0.075 51.980 52.037 0.030 0.000 0.946 220 A CB -0.303 18.717 19.000 0.033 0.000 1.049 220 A HN 0.329 nan 8.150 nan 0.000 0.529 221 L N -0.131 121.028 121.223 -0.106 0.000 2.017 221 L HA -0.168 4.169 4.340 -0.005 0.000 0.208 221 L C 2.430 179.191 176.870 -0.181 0.000 1.073 221 L CA 1.488 56.209 54.840 -0.198 0.000 0.745 221 L CB -0.394 41.485 42.059 -0.299 0.000 0.894 221 L HN 0.306 nan 8.230 nan 0.000 0.432 222 K N -0.152 120.162 120.400 -0.142 0.000 2.057 222 K HA -0.169 4.148 4.320 -0.005 0.000 0.207 222 K C 1.721 178.287 176.600 -0.057 0.000 1.049 222 K CA 1.438 57.661 56.287 -0.107 0.000 0.931 222 K CB -0.240 32.212 32.500 -0.081 0.000 0.714 222 K HN 0.308 nan 8.250 nan 0.000 0.440 223 D N 1.168 121.549 120.400 -0.032 0.000 2.117 223 D HA -0.173 4.464 4.640 -0.005 0.000 0.197 223 D C 1.882 178.187 176.300 0.009 0.000 0.987 223 D CA 1.356 55.354 54.000 -0.004 0.000 0.829 223 D CB -0.051 40.756 40.800 0.010 0.000 0.961 223 D HN 0.387 nan 8.370 nan 0.000 0.460 224 K N 0.735 121.125 120.400 -0.017 0.000 2.217 224 K HA 0.126 4.443 4.320 -0.005 0.000 0.202 224 K C 2.061 178.734 176.600 0.122 0.000 1.051 224 K CA 1.056 57.363 56.287 0.034 0.000 0.952 224 K CB -0.018 32.396 32.500 -0.144 0.000 0.736 224 K HN -0.020 nan 8.250 nan 0.000 0.453 225 A N 2.463 125.287 122.820 0.007 0.000 1.930 225 A HA -0.145 4.172 4.320 -0.005 0.000 0.217 225 A C 2.182 179.795 177.584 0.048 0.000 1.175 225 A CA 1.549 53.604 52.037 0.031 0.000 0.627 225 A CB -0.430 18.520 19.000 -0.082 0.000 0.815 225 A HN 0.440 nan 8.150 nan 0.000 0.443 226 K N -0.813 119.602 120.400 0.024 0.000 2.057 226 K HA -0.148 4.169 4.320 -0.005 0.000 0.206 226 K C 2.157 178.780 176.600 0.039 0.000 1.050 226 K CA 1.010 57.310 56.287 0.021 0.000 0.935 226 K CB -0.146 32.360 32.500 0.009 0.000 0.715 226 K HN 0.202 nan 8.250 nan 0.000 0.439 227 R N 0.370 120.910 120.500 0.066 0.000 2.096 227 R HA -0.063 4.274 4.340 -0.005 0.000 0.235 227 R C 2.293 178.623 176.300 0.050 0.000 1.127 227 R CA 1.308 57.448 56.100 0.067 0.000 0.968 227 R CB -0.757 29.605 30.300 0.103 0.000 0.861 227 R HN 0.351 nan 8.270 nan 0.000 0.440 228 A N 1.127 124.003 122.820 0.093 0.000 1.902 228 A HA -0.100 4.217 4.320 -0.005 0.000 0.217 228 A C 2.399 179.973 177.584 -0.017 0.000 1.181 228 A CA 1.902 53.940 52.037 0.001 0.000 0.623 228 A CB -0.615 18.444 19.000 0.099 0.000 0.818 228 A HN 0.344 nan 8.150 nan 0.000 0.443 229 A N -0.095 122.734 122.820 0.015 0.000 1.908 229 A HA -0.202 4.115 4.320 -0.005 0.000 0.218 229 A C 1.907 179.491 177.584 0.000 0.000 1.181 229 A CA 1.733 53.775 52.037 0.009 0.000 0.627 229 A CB -0.591 18.421 19.000 0.021 0.000 0.818 229 A HN 0.656 nan 8.150 nan 0.000 0.445 230 E N -0.265 119.937 120.200 0.003 0.000 2.110 230 E HA -0.101 4.246 4.350 -0.005 0.000 0.193 230 E C 1.621 178.214 176.600 -0.012 0.000 0.988 230 E CA 0.980 57.380 56.400 -0.001 0.000 0.804 230 E CB -0.254 29.449 29.700 0.005 0.000 0.745 230 E HN 0.614 nan 8.360 nan 0.000 0.458 231 L N -0.295 120.913 121.223 -0.025 0.000 2.610 231 L HA 0.085 4.422 4.340 -0.005 0.000 0.232 231 L C 1.200 178.044 176.870 -0.044 0.000 1.149 231 L CA 0.391 55.206 54.840 -0.041 0.000 0.872 231 L CB -0.045 41.971 42.059 -0.072 0.000 0.992 231 L HN 0.308 nan 8.230 nan 0.000 0.447 232 G N 0.203 108.981 108.800 -0.038 0.000 2.142 232 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.225 232 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.225 232 G C 0.376 175.247 174.900 -0.048 0.000 1.015 232 G CA -0.062 45.017 45.100 -0.035 0.000 0.716 232 G HN 0.484 nan 8.290 nan 0.000 0.508 233 A N -0.212 122.565 122.820 -0.072 0.000 2.531 233 A HA 0.487 4.804 4.320 -0.005 0.000 0.236 233 A C 1.318 178.860 177.584 -0.071 0.000 1.062 233 A CA 0.977 52.953 52.037 -0.101 0.000 0.760 233 A CB 0.344 19.259 19.000 -0.142 0.000 0.995 233 A HN 0.282 nan 8.150 nan 0.000 0.501 234 D N 0.312 120.671 120.400 -0.070 0.000 2.149 234 D HA 0.107 4.744 4.640 -0.005 0.000 0.206 234 D C 0.255 176.522 176.300 -0.054 0.000 0.967 234 D CA 1.506 55.474 54.000 -0.054 0.000 0.848 234 D CB 0.074 40.862 40.800 -0.020 0.000 0.998 234 D HN 0.275 nan 8.370 nan 0.000 0.474 235 V N 0.738 120.613 119.914 -0.065 0.000 3.012 235 V HA 0.321 4.438 4.120 -0.005 0.000 0.307 235 V C -0.755 175.307 176.094 -0.052 0.000 1.166 235 V CA -0.803 61.482 62.300 -0.025 0.000 0.974 235 V CB 3.007 34.808 31.823 -0.037 0.000 1.040 235 V HN -0.051 nan 8.190 nan 0.000 0.428 236 L N 3.966 125.195 121.223 0.010 0.000 2.280 236 L HA 0.538 4.875 4.340 -0.005 0.000 0.287 236 L C -0.641 176.259 176.870 0.049 0.000 1.023 236 L CA -0.593 54.260 54.840 0.020 0.000 0.819 236 L CB 1.538 43.606 42.059 0.015 0.000 1.212 236 L HN 0.473 nan 8.230 nan 0.000 0.420 237 L N 4.110 125.360 121.223 0.045 0.000 2.331 237 L HA 0.488 4.825 4.340 -0.005 0.000 0.278 237 L C -1.115 175.871 176.870 0.192 0.000 1.106 237 L CA 0.405 55.295 54.840 0.084 0.000 0.824 237 L CB 0.840 42.922 42.059 0.037 0.000 1.142 237 L HN 0.384 nan 8.230 nan 0.000 0.443 238 F N 4.283 124.238 119.950 0.009 0.000 2.585 238 F HA 0.433 4.957 4.527 -0.005 0.000 0.319 238 F C -0.088 175.747 175.800 0.058 0.000 1.165 238 F CA -0.939 57.051 58.000 -0.018 0.000 0.949 238 F CB 1.279 40.228 39.000 -0.085 0.000 1.218 238 F HN 0.600 nan 8.300 nan 0.000 0.453 239 N N 5.254 123.754 118.700 -0.334 0.000 3.193 239 N HA 0.052 4.789 4.740 -0.005 0.000 0.312 239 N C 1.449 176.661 175.510 -0.496 0.000 1.261 239 N CA -0.164 52.759 53.050 -0.211 0.000 1.208 239 N CB 0.688 39.162 38.487 -0.021 0.000 1.471 239 N HN 0.571 nan 8.380 nan 0.000 0.548 240 V N 0.626 120.086 119.914 -0.757 0.000 2.317 240 V HA -0.323 3.794 4.120 -0.005 0.000 0.251 240 V C 1.246 177.077 176.094 -0.439 0.000 1.065 240 V CA 2.000 63.850 62.300 -0.751 0.000 1.049 240 V CB -0.455 31.032 31.823 -0.561 0.000 0.651 240 V HN 0.480 nan 8.190 nan 0.000 0.450 241 F N 0.670 120.584 119.950 -0.060 0.000 2.546 241 F HA 0.114 4.638 4.527 -0.005 0.000 0.298 241 F C 2.200 178.054 175.800 0.090 0.000 1.120 241 F CA 1.055 59.107 58.000 0.087 0.000 1.456 241 F CB -0.789 38.350 39.000 0.232 0.000 1.088 241 F HN 0.269 nan 8.300 nan 0.000 0.572 242 A N -2.197 120.638 122.820 0.024 0.000 2.238 242 A HA 0.074 4.391 4.320 -0.005 0.000 0.210 242 A C 1.226 178.565 177.584 -0.410 0.000 1.179 242 A CA 0.585 52.453 52.037 -0.282 0.000 0.827 242 A CB -0.533 18.243 19.000 -0.373 0.000 0.856 242 A HN 0.420 nan 8.150 nan 0.000 0.488 243 Y N -0.960 119.251 120.300 -0.149 0.000 2.638 243 Y HA 0.435 4.981 4.550 -0.006 0.000 0.275 243 Y C 1.224 177.114 175.900 -0.017 0.000 1.122 243 Y CA 0.325 58.376 58.100 -0.082 0.000 1.266 243 Y CB 0.716 39.141 38.460 -0.058 0.000 1.317 243 Y HN 0.392 nan 8.280 nan 0.000 0.501 244 G N -0.058 108.822 108.800 0.134 0.000 2.764 244 G HA2 -0.120 3.837 3.960 -0.005 0.000 0.678 244 G HA3 -0.120 3.837 3.960 -0.005 0.000 0.678 244 G C 0.020 174.944 174.900 0.039 0.000 1.341 244 G CA -0.532 44.632 45.100 0.106 0.000 0.836 244 G HN 0.142 nan 8.290 nan 0.000 0.632 245 L N 0.659 121.867 121.223 -0.024 0.000 2.127 245 L HA -0.090 4.247 4.340 -0.005 0.000 0.211 245 L C 2.540 179.404 176.870 -0.009 0.000 1.089 245 L CA 2.142 56.931 54.840 -0.086 0.000 0.757 245 L CB -0.203 41.794 42.059 -0.103 0.000 0.899 245 L HN 0.797 nan 8.230 nan 0.000 0.434 246 D N -0.383 120.041 120.400 0.040 0.000 2.178 246 D HA -0.149 4.487 4.640 -0.005 0.000 0.201 246 D C 2.062 178.366 176.300 0.007 0.000 0.980 246 D CA 0.768 54.793 54.000 0.043 0.000 0.842 246 D CB 0.242 41.082 40.800 0.067 0.000 0.948 246 D HN 0.042 nan 8.370 nan 0.000 0.472 247 V N 0.411 120.340 119.914 0.025 0.000 2.358 247 V HA -0.162 3.955 4.120 -0.005 0.000 0.246 247 V C 2.386 178.432 176.094 -0.082 0.000 1.047 247 V CA 1.287 63.576 62.300 -0.019 0.000 1.035 247 V CB -0.539 31.335 31.823 0.085 0.000 0.658 247 V HN 0.313 nan 8.190 nan 0.000 0.452 248 L N 0.305 121.545 121.223 0.029 0.000 2.042 248 L HA -0.220 4.117 4.340 -0.005 0.000 0.210 248 L C 2.442 179.245 176.870 -0.111 0.000 1.076 248 L CA 2.271 57.084 54.840 -0.046 0.000 0.749 248 L CB -0.882 41.202 42.059 0.041 0.000 0.893 248 L HN 0.395 nan 8.230 nan 0.000 0.432 249 Q N -0.817 118.941 119.800 -0.071 0.000 2.124 249 Q HA -0.205 4.132 4.340 -0.005 0.000 0.202 249 Q C 2.130 178.074 176.000 -0.094 0.000 0.977 249 Q CA 1.750 57.512 55.803 -0.068 0.000 0.850 249 Q CB -0.196 28.535 28.738 -0.012 0.000 0.901 249 Q HN 0.682 nan 8.270 nan 0.000 0.429 250 A N 0.673 123.430 122.820 -0.104 0.000 1.902 250 A HA -0.158 4.159 4.320 -0.005 0.000 0.217 250 A C 2.020 179.515 177.584 -0.148 0.000 1.181 250 A CA 1.191 53.157 52.037 -0.117 0.000 0.623 250 A CB -0.672 18.254 19.000 -0.123 0.000 0.818 250 A HN 0.446 nan 8.150 nan 0.000 0.443 251 L N -1.055 120.043 121.223 -0.208 0.000 2.093 251 L HA -0.167 4.170 4.340 -0.005 0.000 0.208 251 L C 2.737 179.513 176.870 -0.157 0.000 1.085 251 L CA 1.664 56.364 54.840 -0.234 0.000 0.755 251 L CB -0.423 41.401 42.059 -0.392 0.000 0.904 251 L HN 0.444 nan 8.230 nan 0.000 0.435 252 R N 0.948 121.365 120.500 -0.138 0.000 2.090 252 R HA -0.136 4.200 4.340 -0.005 0.000 0.228 252 R C 1.839 178.077 176.300 -0.103 0.000 1.110 252 R CA 1.502 57.538 56.100 -0.106 0.000 0.973 252 R CB -0.303 29.936 30.300 -0.102 0.000 0.869 252 R HN 0.366 nan 8.270 nan 0.000 0.440 253 E N 0.405 120.543 120.200 -0.103 0.000 2.435 253 E HA -0.053 4.293 4.350 -0.005 0.000 0.195 253 E C -0.323 176.226 176.600 -0.084 0.000 1.029 253 E CA 0.113 56.456 56.400 -0.096 0.000 0.865 253 E CB -0.004 29.637 29.700 -0.098 0.000 0.833 253 E HN 0.300 nan 8.360 nan 0.000 0.510 254 D N 1.587 121.937 120.400 -0.083 0.000 2.344 254 D HA -0.030 4.607 4.640 -0.005 0.000 0.253 254 D C 0.721 176.988 176.300 -0.055 0.000 1.255 254 D CA 0.092 54.052 54.000 -0.067 0.000 0.894 254 D CB 0.801 41.558 40.800 -0.070 0.000 1.067 254 D HN -0.071 nan 8.370 nan 0.000 0.492 255 E N 2.675 122.846 120.200 -0.049 0.000 2.338 255 E HA -0.138 4.209 4.350 -0.005 0.000 0.197 255 E C 0.924 177.511 176.600 -0.023 0.000 1.007 255 E CA 0.625 57.001 56.400 -0.040 0.000 0.849 255 E CB 0.237 29.914 29.700 -0.039 0.000 0.774 255 E HN 0.686 nan 8.360 nan 0.000 0.506 256 E N -0.239 119.948 120.200 -0.021 0.000 2.502 256 E HA 0.060 4.407 4.350 -0.005 0.000 0.194 256 E C 1.604 178.202 176.600 -0.005 0.000 1.062 256 E CA 0.031 56.425 56.400 -0.011 0.000 0.867 256 E CB 0.318 30.011 29.700 -0.011 0.000 0.888 256 E HN 0.268 nan 8.360 nan 0.000 0.510 257 I N 0.336 120.900 120.570 -0.010 0.000 3.325 257 I HA 0.083 4.250 4.170 -0.005 0.000 0.237 257 I C 1.023 177.160 176.117 0.034 0.000 1.068 257 I CA 0.258 61.557 61.300 -0.000 0.000 1.511 257 I CB -0.084 37.898 38.000 -0.030 0.000 1.409 257 I HN -0.081 nan 8.210 nan 0.000 0.464 258 A N 1.537 124.379 122.820 0.037 0.000 2.640 258 A HA -0.128 4.189 4.320 -0.005 0.000 0.300 258 A C -0.178 177.560 177.584 0.257 0.000 1.499 258 A CA 0.328 52.425 52.037 0.101 0.000 0.759 258 A CB -2.188 16.854 19.000 0.070 0.000 1.048 258 A HN 0.185 nan 8.150 nan 0.000 0.450 259 V N 0.160 120.210 119.914 0.227 0.000 2.680 259 V HA 0.525 4.642 4.120 -0.005 0.000 0.309 259 V C -2.070 174.186 176.094 0.270 0.000 1.052 259 V CA -1.834 60.582 62.300 0.193 0.000 0.908 259 V CB 2.025 33.891 31.823 0.071 0.000 1.001 259 V HN 0.345 nan 8.190 nan 0.000 0.431 260 P HA 0.219 nan 4.420 nan 0.000 0.267 260 P C -0.860 176.581 177.300 0.235 0.000 1.200 260 P CA 0.324 63.568 63.100 0.241 0.000 0.772 260 P CB 0.409 32.154 31.700 0.076 0.000 0.855 261 I N 2.535 123.266 120.570 0.268 0.000 2.436 261 I HA 0.415 4.582 4.170 -0.005 0.000 0.289 261 I C 0.068 176.394 176.117 0.349 0.000 1.010 261 I CA -0.671 60.756 61.300 0.212 0.000 1.098 261 I CB 1.652 39.711 38.000 0.100 0.000 1.266 261 I HN 0.236 nan 8.210 nan 0.000 0.434 262 M N 6.358 126.124 119.600 0.277 0.000 2.066 262 M HA 0.636 5.113 4.480 -0.005 0.000 0.340 262 M C -0.635 175.784 176.300 0.199 0.000 1.053 262 M CA -0.420 55.029 55.300 0.248 0.000 0.983 262 M CB 1.123 33.669 32.600 -0.090 0.000 1.520 262 M HN 0.704 nan 8.290 nan 0.000 0.428 263 A N 4.514 127.457 122.820 0.205 0.000 2.320 263 A HA 0.317 4.634 4.320 -0.005 0.000 0.287 263 A C -0.826 176.854 177.584 0.160 0.000 1.181 263 A CA -0.398 51.734 52.037 0.158 0.000 0.831 263 A CB 0.165 19.216 19.000 0.084 0.000 1.102 263 A HN 0.907 nan 8.150 nan 0.000 0.513 264 H N 4.470 123.592 119.070 0.088 0.000 2.467 264 H HA 0.320 4.874 4.556 -0.005 0.000 0.331 264 H C -1.867 173.602 175.328 0.235 0.000 1.120 264 H CA -1.687 54.431 56.048 0.116 0.000 1.270 264 H CB 2.083 31.889 29.762 0.073 0.000 1.466 264 H HN 0.435 nan 8.280 nan 0.000 0.504 265 P HA 0.030 nan 4.420 nan 0.000 0.245 265 P C 0.028 177.510 177.300 0.305 0.000 1.212 265 P CA 0.023 63.246 63.100 0.205 0.000 0.774 265 P CB 0.002 31.705 31.700 0.006 0.000 0.999 266 A N 0.119 123.289 122.820 0.584 0.000 2.584 266 A HA 0.056 4.373 4.320 -0.005 0.000 0.239 266 A C 0.600 178.452 177.584 0.446 0.000 1.043 266 A CA 0.274 52.581 52.037 0.450 0.000 0.756 266 A CB -1.381 17.831 19.000 0.354 0.000 0.963 266 A HN 0.292 nan 8.150 nan 0.000 0.511 267 F N 1.265 121.296 119.950 0.135 0.000 2.590 267 F HA -0.348 4.177 4.527 -0.004 0.000 0.471 267 F C 1.957 177.769 175.800 0.020 0.000 0.551 267 F CA 2.138 60.199 58.000 0.103 0.000 1.228 267 F CB -1.738 37.356 39.000 0.158 0.000 1.862 267 F HN 0.865 nan 8.300 nan 0.000 0.271 268 S N -0.283 115.301 115.700 -0.194 0.000 2.442 268 S HA 0.022 4.488 4.470 -0.005 0.000 0.236 268 S C 2.159 176.606 174.600 -0.254 0.000 1.007 268 S CA 1.105 58.993 58.200 -0.520 0.000 0.965 268 S CB -0.973 61.642 63.200 -0.974 0.000 0.773 268 S HN 0.858 nan 8.310 nan 0.000 0.504 269 G N 0.650 109.328 108.800 -0.204 0.000 2.625 269 G HA2 0.265 4.222 3.960 -0.005 0.000 0.214 269 G HA3 0.265 4.222 3.960 -0.005 0.000 0.214 269 G C 1.329 176.094 174.900 -0.225 0.000 1.132 269 G CA 0.390 45.395 45.100 -0.159 0.000 0.782 269 G HN 0.746 nan 8.290 nan 0.000 0.538 270 A N -0.384 122.188 122.820 -0.412 0.000 2.123 270 A HA 0.382 4.699 4.320 -0.005 0.000 0.214 270 A C 2.167 179.569 177.584 -0.303 0.000 1.152 270 A CA 1.138 52.904 52.037 -0.452 0.000 0.728 270 A CB 0.145 18.562 19.000 -0.971 0.000 0.814 270 A HN 0.228 nan 8.150 nan 0.000 0.464 271 V N -0.860 118.882 119.914 -0.285 0.000 3.151 271 V HA -0.063 4.054 4.120 -0.005 0.000 0.241 271 V C 2.645 178.595 176.094 -0.240 0.000 1.173 271 V CA 1.843 63.970 62.300 -0.289 0.000 1.154 271 V CB -0.044 31.462 31.823 -0.529 0.000 0.898 271 V HN 0.721 nan 8.190 nan 0.000 0.473 272 T N -1.123 113.322 114.554 -0.182 0.000 3.009 272 T HA 0.036 4.383 4.350 -0.005 0.000 0.258 272 T C 0.304 174.951 174.700 -0.088 0.000 1.063 272 T CA 0.863 62.892 62.100 -0.119 0.000 1.139 272 T CB -1.148 67.688 68.868 -0.052 0.000 0.890 272 T HN 0.449 nan 8.240 nan 0.000 0.471 273 P HA 0.050 nan 4.420 nan 0.000 0.218 273 P C 0.975 178.218 177.300 -0.095 0.000 1.149 273 P CA 0.623 63.678 63.100 -0.076 0.000 0.817 273 P CB -0.170 31.491 31.700 -0.065 0.000 0.785 274 S N -0.048 115.610 115.700 -0.069 0.000 2.568 274 S HA -0.049 4.418 4.470 -0.005 0.000 0.282 274 S C 1.345 175.788 174.600 -0.262 0.000 1.338 274 S CA -0.236 57.905 58.200 -0.098 0.000 1.045 274 S CB 0.452 63.712 63.200 0.100 0.000 0.873 274 S HN 0.211 nan 8.310 nan 0.000 0.516 275 E N 2.092 121.947 120.200 -0.574 0.000 2.299 275 E HA -0.014 4.333 4.350 -0.005 0.000 0.193 275 E C 0.415 176.512 176.600 -0.838 0.000 0.998 275 E CA 0.838 56.761 56.400 -0.795 0.000 0.851 275 E CB 0.009 29.002 29.700 -1.178 0.000 0.795 275 E HN 0.824 nan 8.360 nan 0.000 0.492 276 F N -1.316 118.423 119.950 -0.350 0.000 2.727 276 F HA 0.281 4.804 4.527 -0.006 0.000 0.302 276 F C 0.016 175.454 175.800 -0.602 0.000 1.107 276 F CA -0.384 57.239 58.000 -0.629 0.000 1.277 276 F CB 0.225 38.616 39.000 -1.015 0.000 1.079 276 F HN -0.118 nan 8.300 nan 0.000 0.594 277 Y N -0.613 119.804 120.300 0.195 0.000 2.790 277 Y HA 0.729 5.277 4.550 -0.003 0.000 0.323 277 Y C 0.927 176.899 175.900 0.119 0.000 1.230 277 Y CA -1.549 56.667 58.100 0.192 0.000 1.121 277 Y CB 0.352 38.910 38.460 0.165 0.000 1.328 277 Y HN 0.072 nan 8.280 nan 0.000 0.514 278 G N -0.350 108.676 108.800 0.377 0.000 2.593 278 G HA2 -0.046 3.911 3.960 -0.005 0.000 0.237 278 G HA3 -0.046 3.911 3.960 -0.005 0.000 0.237 278 G C -1.721 173.149 174.900 -0.051 0.000 1.312 278 G CA -0.437 44.759 45.100 0.160 0.000 0.896 278 G HN 0.877 nan 8.290 nan 0.000 0.574 279 V N 0.579 120.342 119.914 -0.250 0.000 2.588 279 V HA 0.738 4.855 4.120 -0.005 0.000 0.304 279 V C 0.898 176.872 176.094 -0.199 0.000 1.042 279 V CA -0.123 61.971 62.300 -0.343 0.000 0.877 279 V CB 1.185 32.686 31.823 -0.538 0.000 0.996 279 V HN 2.191 nan 8.190 nan 0.000 0.425 280 A N 6.925 129.663 122.820 -0.137 0.000 2.498 280 A HA 0.409 4.726 4.320 -0.005 0.000 0.239 280 A C -0.787 176.801 177.584 0.007 0.000 1.068 280 A CA -0.668 51.327 52.037 -0.071 0.000 0.766 280 A CB -0.004 18.950 19.000 -0.077 0.000 1.003 280 A HN 0.724 nan 8.150 nan 0.000 0.497 281 P HA -0.203 nan 4.420 nan 0.000 0.218 281 P C 1.493 178.818 177.300 0.042 0.000 1.148 281 P CA 1.910 65.046 63.100 0.059 0.000 0.822 281 P CB -0.108 31.601 31.700 0.014 0.000 0.784 282 S N -0.626 115.071 115.700 -0.005 0.000 2.399 282 S HA -0.149 4.318 4.470 -0.005 0.000 0.231 282 S C 1.975 176.591 174.600 0.027 0.000 1.022 282 S CA 1.093 59.278 58.200 -0.025 0.000 0.983 282 S CB -1.450 61.726 63.200 -0.040 0.000 0.803 282 S HN 0.074 nan 8.310 nan 0.000 0.480 283 L N 0.230 121.494 121.223 0.069 0.000 2.145 283 L HA 0.351 4.688 4.340 -0.005 0.000 0.201 283 L C 2.262 179.290 176.870 0.263 0.000 1.075 283 L CA 1.164 56.080 54.840 0.126 0.000 0.773 283 L CB -0.899 41.208 42.059 0.080 0.000 0.936 283 L HN 0.507 nan 8.230 nan 0.000 0.451 284 W N -0.416 120.909 121.300 0.042 0.000 2.381 284 W HA -0.172 4.485 4.660 -0.006 0.000 0.301 284 W C 1.909 178.579 176.519 0.250 0.000 1.205 284 W CA 1.265 58.688 57.345 0.131 0.000 1.285 284 W CB 0.265 29.754 29.460 0.048 0.000 1.133 284 W HN 0.177 nan 8.180 nan 0.000 0.521 285 L N -1.093 120.278 121.223 0.248 0.000 2.408 285 L HA 0.177 4.514 4.340 -0.005 0.000 0.215 285 L C 2.354 179.281 176.870 0.094 0.000 1.081 285 L CA 0.818 55.773 54.840 0.190 0.000 0.840 285 L CB -0.669 41.472 42.059 0.136 0.000 1.002 285 L HN -0.086 nan 8.230 nan 0.000 0.468 286 G N -0.286 108.543 108.800 0.049 0.000 2.682 286 G HA2 -0.112 3.844 3.960 -0.005 0.000 0.221 286 G HA3 -0.112 3.844 3.960 -0.005 0.000 0.221 286 G C 1.334 176.258 174.900 0.040 0.000 1.386 286 G CA 0.247 45.352 45.100 0.008 0.000 0.909 286 G HN 0.041 nan 8.290 nan 0.000 0.558 287 K N -0.070 120.370 120.400 0.067 0.000 2.020 287 K HA -0.029 4.288 4.320 -0.005 0.000 0.212 287 K C 2.586 179.242 176.600 0.093 0.000 1.050 287 K CA 1.351 57.704 56.287 0.109 0.000 0.929 287 K CB -0.363 32.224 32.500 0.145 0.000 0.714 287 K HN 0.295 nan 8.250 nan 0.000 0.443 288 L N 0.773 122.051 121.223 0.092 0.000 2.093 288 L HA -0.159 4.178 4.340 -0.005 0.000 0.208 288 L C 2.420 179.235 176.870 -0.092 0.000 1.085 288 L CA 0.824 55.675 54.840 0.019 0.000 0.755 288 L CB -0.326 41.775 42.059 0.070 0.000 0.904 288 L HN 0.256 nan 8.230 nan 0.000 0.435 289 L N -0.503 120.673 121.223 -0.078 0.000 2.093 289 L HA -0.185 4.152 4.340 -0.005 0.000 0.208 289 L C 2.828 179.634 176.870 -0.107 0.000 1.085 289 L CA 1.056 55.829 54.840 -0.111 0.000 0.755 289 L CB -0.502 41.520 42.059 -0.061 0.000 0.904 289 L HN 0.295 nan 8.230 nan 0.000 0.435 290 R N 0.907 121.355 120.500 -0.086 0.000 2.066 290 R HA -0.196 4.140 4.340 -0.005 0.000 0.232 290 R C 2.427 178.527 176.300 -0.333 0.000 1.131 290 R CA 1.477 57.507 56.100 -0.118 0.000 0.955 290 R CB -0.325 29.957 30.300 -0.029 0.000 0.851 290 R HN 0.303 nan 8.270 nan 0.000 0.432 291 L N 0.470 121.424 121.223 -0.448 0.000 2.083 291 L HA -0.096 4.241 4.340 -0.005 0.000 0.209 291 L C 2.295 178.818 176.870 -0.578 0.000 1.083 291 L CA 1.797 56.093 54.840 -0.906 0.000 0.752 291 L CB -0.341 41.364 42.059 -0.590 0.000 0.899 291 L HN 0.320 nan 8.230 nan 0.000 0.433 292 A N -0.783 121.847 122.820 -0.318 0.000 2.014 292 A HA 0.153 4.470 4.320 -0.005 0.000 0.218 292 A C 1.727 179.217 177.584 -0.158 0.000 1.163 292 A CA 1.141 53.068 52.037 -0.184 0.000 0.652 292 A CB -0.500 18.413 19.000 -0.146 0.000 0.808 292 A HN 0.763 nan 8.150 nan 0.000 0.449 293 G N -2.947 105.748 108.800 -0.176 0.000 2.200 293 G HA2 0.276 4.233 3.960 -0.005 0.000 0.145 293 G HA3 0.276 4.233 3.960 -0.005 0.000 0.145 293 G C 0.197 175.065 174.900 -0.053 0.000 1.021 293 G CA -0.001 45.027 45.100 -0.120 0.000 0.720 293 G HN 1.338 nan 8.290 nan 0.000 0.494 294 A N 0.480 123.279 122.820 -0.035 0.000 2.409 294 A HA 0.571 4.888 4.320 -0.005 0.000 0.267 294 A C 1.055 178.672 177.584 0.055 0.000 1.127 294 A CA 0.589 52.653 52.037 0.045 0.000 0.795 294 A CB 0.327 19.363 19.000 0.059 0.000 1.061 294 A HN 0.183 nan 8.150 nan 0.000 0.502 295 D N 1.195 121.652 120.400 0.095 0.000 2.249 295 D HA 0.097 4.733 4.640 -0.005 0.000 0.205 295 D C -0.472 175.740 176.300 -0.147 0.000 0.962 295 D CA 1.392 55.365 54.000 -0.045 0.000 0.860 295 D CB 0.156 40.908 40.800 -0.079 0.000 0.955 295 D HN 0.566 nan 8.370 nan 0.000 0.505 296 F N -0.055 119.986 119.950 0.152 0.000 2.565 296 F HA 0.421 4.945 4.527 -0.006 0.000 0.313 296 F C -0.268 175.610 175.800 0.129 0.000 1.091 296 F CA -1.073 57.027 58.000 0.166 0.000 0.915 296 F CB 2.371 41.432 39.000 0.101 0.000 1.208 296 F HN -0.455 nan 8.300 nan 0.000 0.453 297 V N 4.086 124.211 119.914 0.352 0.000 2.482 297 V HA 0.372 4.489 4.120 -0.005 0.000 0.295 297 V C -0.868 175.390 176.094 0.273 0.000 1.026 297 V CA -0.583 61.882 62.300 0.275 0.000 0.856 297 V CB 1.686 33.660 31.823 0.252 0.000 1.001 297 V HN 0.462 nan 8.190 nan 0.000 0.424 298 L N 6.729 128.029 121.223 0.129 0.000 2.312 298 L HA 0.716 5.053 4.340 -0.005 0.000 0.281 298 L C -0.358 176.537 176.870 0.042 0.000 1.070 298 L CA 0.290 55.096 54.840 -0.056 0.000 0.805 298 L CB 0.804 42.744 42.059 -0.198 0.000 1.174 298 L HN 0.659 nan 8.230 nan 0.000 0.434 299 F N 1.343 121.246 119.950 -0.078 0.000 2.662 299 F HA 0.743 5.267 4.527 -0.005 0.000 0.312 299 F C -2.849 172.910 175.800 -0.069 0.000 1.113 299 F CA -3.084 54.882 58.000 -0.056 0.000 0.951 299 F CB 0.666 39.656 39.000 -0.016 0.000 1.344 299 F HN 0.192 nan 8.300 nan 0.000 0.462 300 P HA 0.098 nan 4.420 nan 0.000 0.260 300 P C -0.321 177.005 177.300 0.044 0.000 1.185 300 P CA 0.230 63.360 63.100 0.050 0.000 0.763 300 P CB 0.712 32.462 31.700 0.084 0.000 0.776 301 S N 5.179 120.818 115.700 -0.102 0.000 2.624 301 S HA 0.335 4.802 4.470 -0.005 0.000 0.263 301 S C -1.774 172.734 174.600 -0.154 0.000 1.287 301 S CA -1.031 57.083 58.200 -0.143 0.000 0.990 301 S CB 0.300 63.458 63.200 -0.070 0.000 0.950 301 S HN 0.330 nan 8.310 nan 0.000 0.561 302 P HA 0.273 nan 4.420 nan 0.000 0.249 302 P C -1.290 175.732 177.300 -0.464 0.000 1.583 302 P CA -0.044 62.818 63.100 -0.397 0.000 0.988 302 P CB -0.526 30.961 31.700 -0.356 0.000 1.530 303 Y N -0.496 119.861 120.300 0.096 0.000 2.570 303 Y HA 0.628 5.175 4.550 -0.005 0.000 0.345 303 Y C 1.202 177.139 175.900 0.062 0.000 1.014 303 Y CA -0.574 57.574 58.100 0.080 0.000 1.063 303 Y CB 1.148 39.658 38.460 0.083 0.000 1.272 303 Y HN 0.182 nan 8.280 nan 0.000 0.477 304 G N 0.311 109.249 108.800 0.230 0.000 2.698 304 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.225 304 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.225 304 G C 0.855 175.807 174.900 0.086 0.000 1.345 304 G CA -0.081 45.103 45.100 0.139 0.000 0.871 304 G HN 1.310 nan 8.290 nan 0.000 0.540 305 S N -1.559 114.178 115.700 0.062 0.000 2.387 305 S HA -0.061 4.405 4.470 -0.005 0.000 0.230 305 S C 1.822 176.443 174.600 0.035 0.000 1.035 305 S CA 3.086 61.312 58.200 0.043 0.000 1.014 305 S CB -0.403 62.818 63.200 0.035 0.000 0.836 305 S HN 2.242 nan 8.310 nan 0.000 0.466 306 V N -1.778 118.156 119.914 0.034 0.000 2.778 306 V HA 0.814 4.931 4.120 -0.005 0.000 0.356 306 V C 0.335 176.441 176.094 0.019 0.000 1.283 306 V CA -0.949 61.364 62.300 0.022 0.000 1.247 306 V CB -0.759 31.075 31.823 0.019 0.000 1.408 306 V HN 0.564 nan 8.190 nan 0.000 0.620 307 A N 1.540 124.375 122.820 0.026 0.000 2.540 307 A HA 0.485 4.802 4.320 -0.005 0.000 0.239 307 A C -0.149 177.433 177.584 -0.003 0.000 1.061 307 A CA 0.073 52.116 52.037 0.010 0.000 0.758 307 A CB 0.330 19.343 19.000 0.021 0.000 0.991 307 A HN 0.904 nan 8.150 nan 0.000 0.502 308 L N 1.859 123.079 121.223 -0.006 0.000 2.371 308 L HA 0.250 4.586 4.340 -0.005 0.000 0.272 308 L C 0.811 177.674 176.870 -0.011 0.000 1.124 308 L CA -0.152 54.691 54.840 0.005 0.000 0.816 308 L CB 0.697 42.785 42.059 0.048 0.000 1.129 308 L HN 0.786 nan 8.230 nan 0.000 0.448 309 E N 4.155 124.345 120.200 -0.015 0.000 2.558 309 E HA -0.148 4.199 4.350 -0.005 0.000 0.255 309 E C 1.009 177.595 176.600 -0.022 0.000 0.968 309 E CA 0.417 56.804 56.400 -0.022 0.000 0.939 309 E CB 0.494 30.177 29.700 -0.029 0.000 0.921 309 E HN 0.743 nan 8.360 nan 0.000 0.477 310 R N 3.864 124.344 120.500 -0.033 0.000 2.133 310 R HA -0.234 4.103 4.340 -0.005 0.000 0.245 310 R C 1.568 177.842 176.300 -0.042 0.000 1.137 310 R CA 2.166 58.238 56.100 -0.047 0.000 0.947 310 R CB 0.053 30.323 30.300 -0.050 0.000 0.865 310 R HN 0.538 nan 8.270 nan 0.000 0.437 311 E N 0.087 120.263 120.200 -0.040 0.000 2.110 311 E HA -0.203 4.144 4.350 -0.005 0.000 0.193 311 E C 2.091 178.670 176.600 -0.035 0.000 0.988 311 E CA 0.987 57.362 56.400 -0.042 0.000 0.804 311 E CB -0.089 29.588 29.700 -0.039 0.000 0.745 311 E HN 0.472 nan 8.360 nan 0.000 0.458 312 Q N 0.101 119.885 119.800 -0.028 0.000 2.046 312 Q HA -0.049 4.288 4.340 -0.005 0.000 0.200 312 Q C 2.188 178.176 176.000 -0.020 0.000 0.975 312 Q CA 1.320 57.106 55.803 -0.028 0.000 0.836 312 Q CB -0.417 28.306 28.738 -0.024 0.000 0.896 312 Q HN 0.244 nan 8.270 nan 0.000 0.428 313 A N 1.010 123.852 122.820 0.037 0.000 1.902 313 A HA -0.142 4.175 4.320 -0.005 0.000 0.217 313 A C 2.266 179.944 177.584 0.157 0.000 1.181 313 A CA 1.149 53.279 52.037 0.155 0.000 0.623 313 A CB -0.760 18.429 19.000 0.315 0.000 0.818 313 A HN 0.308 nan 8.150 nan 0.000 0.443 314 L N -0.768 120.497 121.223 0.069 0.000 2.083 314 L HA -0.115 4.222 4.340 -0.005 0.000 0.209 314 L C 2.808 179.677 176.870 -0.001 0.000 1.083 314 L CA 0.996 55.846 54.840 0.017 0.000 0.752 314 L CB -0.830 41.172 42.059 -0.095 0.000 0.899 314 L HN 0.501 nan 8.230 nan 0.000 0.433 315 G N 0.324 109.101 108.800 -0.038 0.000 2.422 315 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.218 315 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.218 315 G C 1.589 176.435 174.900 -0.090 0.000 1.146 315 G CA 0.588 45.656 45.100 -0.054 0.000 0.769 315 G HN 0.279 nan 8.290 nan 0.000 0.547 316 I N 1.213 121.674 120.570 -0.182 0.000 2.202 316 I HA -0.135 4.032 4.170 -0.005 0.000 0.242 316 I C 3.296 179.244 176.117 -0.282 0.000 1.091 316 I CA 0.953 62.054 61.300 -0.331 0.000 1.368 316 I CB -0.267 37.278 38.000 -0.759 0.000 1.058 316 I HN 0.234 nan 8.210 nan 0.000 0.410 317 A N 0.878 123.574 122.820 -0.208 0.000 1.940 317 A HA -0.206 4.111 4.320 -0.005 0.000 0.219 317 A C 2.408 180.024 177.584 0.053 0.000 1.176 317 A CA 1.478 53.538 52.037 0.039 0.000 0.631 317 A CB -0.574 18.659 19.000 0.389 0.000 0.814 317 A HN 0.315 nan 8.150 nan 0.000 0.446 318 R N -0.690 119.826 120.500 0.027 0.000 2.081 318 R HA -0.088 4.249 4.340 -0.005 0.000 0.235 318 R C 2.498 178.807 176.300 0.016 0.000 1.131 318 R CA 1.224 57.337 56.100 0.022 0.000 0.960 318 R CB -0.492 29.810 30.300 0.004 0.000 0.856 318 R HN 0.517 nan 8.270 nan 0.000 0.436 319 A N 1.224 124.043 122.820 -0.001 0.000 1.933 319 A HA -0.110 4.207 4.320 -0.005 0.000 0.218 319 A C 2.162 179.769 177.584 0.038 0.000 1.175 319 A CA 1.121 53.169 52.037 0.019 0.000 0.628 319 A CB -0.450 18.554 19.000 0.007 0.000 0.814 319 A HN 0.179 nan 8.150 nan 0.000 0.444 320 L N -0.456 120.779 121.223 0.021 0.000 2.217 320 L HA -0.085 4.252 4.340 -0.005 0.000 0.211 320 L C 2.430 179.322 176.870 0.038 0.000 1.107 320 L CA 1.651 56.514 54.840 0.038 0.000 0.783 320 L CB -0.330 41.759 42.059 0.050 0.000 0.919 320 L HN 0.649 nan 8.230 nan 0.000 0.442 321 T N -6.112 108.463 114.554 0.035 0.000 3.003 321 T HA 0.050 4.397 4.350 -0.005 0.000 0.261 321 T C 0.603 175.314 174.700 0.019 0.000 1.003 321 T CA -0.494 61.616 62.100 0.016 0.000 0.917 321 T CB -0.075 68.802 68.868 0.015 0.000 1.084 321 T HN -0.030 nan 8.240 nan 0.000 0.522 322 D N 3.957 124.376 120.400 0.032 0.000 2.570 322 D HA -0.034 4.603 4.640 -0.005 0.000 0.243 322 D C 0.642 176.956 176.300 0.024 0.000 1.171 322 D CA 0.249 54.266 54.000 0.027 0.000 0.879 322 D CB 0.790 41.611 40.800 0.035 0.000 1.143 322 D HN 0.544 nan 8.370 nan 0.000 0.511 323 D N 2.217 122.622 120.400 0.008 0.000 2.378 323 D HA -0.151 4.486 4.640 -0.005 0.000 0.227 323 D C 1.004 177.300 176.300 -0.006 0.000 1.012 323 D CA 0.561 54.560 54.000 -0.001 0.000 0.905 323 D CB 0.101 40.897 40.800 -0.008 0.000 0.895 323 D HN 0.250 nan 8.370 nan 0.000 0.532 324 Q N 0.023 119.822 119.800 -0.001 0.000 2.451 324 Q HA 0.073 4.410 4.340 -0.005 0.000 0.206 324 Q C 0.154 176.141 176.000 -0.022 0.000 0.947 324 Q CA 0.556 56.353 55.803 -0.010 0.000 0.937 324 Q CB 0.185 28.921 28.738 -0.003 0.000 1.025 324 Q HN 0.483 nan 8.270 nan 0.000 0.511 325 E N 1.337 121.528 120.200 -0.015 0.000 2.313 325 E HA 0.133 4.480 4.350 -0.005 0.000 0.272 325 E C -1.786 174.702 176.600 -0.187 0.000 1.038 325 E CA -1.985 54.375 56.400 -0.066 0.000 0.863 325 E CB 0.842 30.589 29.700 0.079 0.000 1.060 325 E HN -0.037 nan 8.360 nan 0.000 0.402 326 P HA 0.129 nan 4.420 nan 0.000 0.258 326 P C -0.720 176.287 177.300 -0.489 0.000 1.403 326 P CA 0.245 63.073 63.100 -0.454 0.000 0.826 326 P CB -0.086 31.319 31.700 -0.492 0.000 1.414 327 F N 0.413 120.369 119.950 0.011 0.000 2.579 327 F HA 0.618 5.141 4.527 -0.006 0.000 0.324 327 F C 0.858 176.645 175.800 -0.021 0.000 1.058 327 F CA -1.834 56.163 58.000 -0.005 0.000 0.944 327 F CB 0.608 39.612 39.000 0.006 0.000 1.245 327 F HN -0.166 nan 8.300 nan 0.000 0.477 328 A N 1.717 124.638 122.820 0.168 0.000 2.406 328 A HA 0.479 4.795 4.320 -0.005 0.000 0.243 328 A C 0.315 177.928 177.584 0.049 0.000 1.082 328 A CA -0.507 51.563 52.037 0.056 0.000 0.786 328 A CB 0.188 19.194 19.000 0.011 0.000 1.029 328 A HN 0.813 nan 8.150 nan 0.000 0.495 329 R N 0.035 120.525 120.500 -0.017 0.000 2.490 329 R HA 0.466 4.803 4.340 -0.005 0.000 0.280 329 R C 0.093 176.340 176.300 -0.087 0.000 1.077 329 R CA 0.251 56.324 56.100 -0.044 0.000 1.065 329 R CB 0.912 31.154 30.300 -0.096 0.000 1.003 329 R HN 0.777 nan 8.270 nan 0.000 0.470 330 A N 2.961 125.752 122.820 -0.049 0.000 2.312 330 A HA 0.384 4.701 4.320 -0.005 0.000 0.328 330 A C -0.689 176.886 177.584 -0.014 0.000 1.158 330 A CA -0.603 51.414 52.037 -0.033 0.000 0.821 330 A CB 0.424 19.443 19.000 0.031 0.000 1.170 330 A HN 0.694 nan 8.150 nan 0.000 0.490 331 F N 2.570 122.493 119.950 -0.045 0.000 2.502 331 F HA 0.267 4.791 4.527 -0.006 0.000 0.371 331 F C -1.867 174.012 175.800 0.132 0.000 1.083 331 F CA -1.230 56.783 58.000 0.022 0.000 1.174 331 F CB 1.083 40.077 39.000 -0.010 0.000 1.096 331 F HN 0.315 nan 8.300 nan 0.000 0.545 332 P HA 0.138 nan 4.420 nan 0.000 0.282 332 P C -1.051 176.394 177.300 0.241 0.000 1.262 332 P CA -0.102 63.248 63.100 0.417 0.000 0.773 332 P CB 1.262 33.185 31.700 0.372 0.000 0.879 333 V N 6.026 125.970 119.914 0.050 0.000 2.315 333 V HA 0.238 4.355 4.120 -0.005 0.000 0.265 333 V C -2.165 173.438 176.094 -0.819 0.000 1.019 333 V CA -1.996 60.134 62.300 -0.283 0.000 0.824 333 V CB 1.194 32.929 31.823 -0.145 0.000 1.072 333 V HN 0.497 nan 8.190 nan 0.000 0.448 334 P HA 0.178 nan 4.420 nan 0.000 0.266 334 P C -0.237 176.707 177.300 -0.593 0.000 1.215 334 P CA 0.525 62.897 63.100 -1.213 0.000 0.763 334 P CB 0.955 32.097 31.700 -0.930 0.000 0.806 335 S N 1.850 117.251 115.700 -0.498 0.000 2.536 335 S HA 0.789 5.256 4.470 -0.005 0.000 0.298 335 S C -0.530 173.989 174.600 -0.135 0.000 1.083 335 S CA -0.097 57.945 58.200 -0.263 0.000 0.995 335 S CB 1.703 64.749 63.200 -0.258 0.000 1.058 335 S HN 0.806 nan 8.310 nan 0.000 0.488 336 A N 0.499 123.278 122.820 -0.069 0.000 2.435 336 A HA 0.420 4.737 4.320 -0.005 0.000 0.686 336 A C 0.838 178.452 177.584 0.049 0.000 0.138 336 A CA 0.021 52.052 52.037 -0.010 0.000 0.024 336 A CB -1.495 17.502 19.000 -0.005 0.000 3.974 336 A HN 2.530 nan 8.150 nan 0.000 0.548 337 G N -0.198 108.636 108.800 0.056 0.000 2.160 337 G HA2 -0.055 3.902 3.960 -0.005 0.000 0.251 337 G HA3 -0.055 3.902 3.960 -0.005 0.000 0.251 337 G C 0.098 175.088 174.900 0.150 0.000 1.008 337 G CA 0.550 45.715 45.100 0.109 0.000 0.724 337 G HN 1.921 nan 8.290 nan 0.000 0.514 338 I N 2.244 122.864 120.570 0.084 0.000 2.365 338 I HA 0.490 4.656 4.170 -0.005 0.000 0.291 338 I C 0.695 176.900 176.117 0.147 0.000 1.004 338 I CA -0.619 60.723 61.300 0.070 0.000 1.311 338 I CB 0.692 38.696 38.000 0.007 0.000 1.401 338 I HN 0.468 nan 8.210 nan 0.000 0.491 339 H N 5.375 124.458 119.070 0.022 0.000 3.037 339 H HA 0.389 4.941 4.556 -0.006 0.000 0.355 339 H C -2.869 172.332 175.328 -0.211 0.000 1.263 339 H CA -1.899 54.074 56.048 -0.124 0.000 1.129 339 H CB 1.191 30.729 29.762 -0.373 0.000 1.861 339 H HN 0.069 nan 8.280 nan 0.000 0.546 340 P HA -0.139 nan 4.420 nan 0.000 0.216 340 P C 1.656 178.793 177.300 -0.272 0.000 1.154 340 P CA 2.752 65.473 63.100 -0.632 0.000 0.865 340 P CB -0.367 31.000 31.700 -0.554 0.000 0.789 341 G N -1.163 107.558 108.800 -0.131 0.000 2.535 341 G HA2 -0.176 3.780 3.960 -0.005 0.000 0.218 341 G HA3 -0.176 3.780 3.960 -0.005 0.000 0.218 341 G C 1.294 176.025 174.900 -0.282 0.000 1.122 341 G CA 0.216 45.266 45.100 -0.083 0.000 0.769 341 G HN 0.275 nan 8.290 nan 0.000 0.549 342 L N 0.099 120.972 121.223 -0.583 0.000 2.554 342 L HA 0.118 4.455 4.340 -0.005 0.000 0.225 342 L C 2.579 179.270 176.870 -0.298 0.000 1.104 342 L CA -0.166 54.364 54.840 -0.516 0.000 0.866 342 L CB 0.262 41.873 42.059 -0.747 0.000 1.047 342 L HN 0.048 nan 8.230 nan 0.000 0.468 343 V N 1.176 120.984 119.914 -0.175 0.000 2.278 343 V HA -0.234 3.883 4.120 -0.005 0.000 0.251 343 V C -0.257 175.818 176.094 -0.033 0.000 1.062 343 V CA 2.187 64.456 62.300 -0.052 0.000 1.038 343 V CB -1.503 30.325 31.823 0.009 0.000 0.646 343 V HN 0.357 nan 8.190 nan 0.000 0.447 344 P HA -0.152 nan 4.420 nan 0.000 0.215 344 P C 1.899 179.196 177.300 -0.006 0.000 1.153 344 P CA 1.202 64.294 63.100 -0.014 0.000 0.853 344 P CB -0.068 31.620 31.700 -0.019 0.000 0.788 345 L N -0.901 120.294 121.223 -0.047 0.000 2.093 345 L HA -0.084 4.253 4.340 -0.005 0.000 0.208 345 L C 2.146 179.057 176.870 0.068 0.000 1.085 345 L CA 1.576 56.405 54.840 -0.018 0.000 0.755 345 L CB -1.155 40.849 42.059 -0.091 0.000 0.904 345 L HN -0.121 nan 8.230 nan 0.000 0.435 346 I N -0.736 119.856 120.570 0.036 0.000 2.163 346 I HA -0.359 3.808 4.170 -0.005 0.000 0.243 346 I C 2.389 178.690 176.117 0.307 0.000 1.085 346 I CA 1.753 63.213 61.300 0.266 0.000 1.347 346 I CB -0.326 37.757 38.000 0.138 0.000 1.044 346 I HN 0.222 nan 8.210 nan 0.000 0.408 347 I N 0.121 120.790 120.570 0.166 0.000 2.315 347 I HA -0.270 3.896 4.170 -0.005 0.000 0.248 347 I C 2.779 178.969 176.117 0.121 0.000 1.117 347 I CA 1.130 62.520 61.300 0.150 0.000 1.404 347 I CB -0.400 37.658 38.000 0.096 0.000 1.071 347 I HN 0.201 nan 8.210 nan 0.000 0.419 348 R N 0.930 121.481 120.500 0.084 0.000 2.075 348 R HA -0.178 4.159 4.340 -0.005 0.000 0.232 348 R C 1.821 178.130 176.300 0.015 0.000 1.126 348 R CA 1.790 57.918 56.100 0.046 0.000 0.963 348 R CB -0.050 30.269 30.300 0.032 0.000 0.858 348 R HN 0.294 nan 8.270 nan 0.000 0.435 349 D N -0.609 119.794 120.400 0.005 0.000 2.103 349 D HA -0.114 4.523 4.640 -0.005 0.000 0.199 349 D C 1.308 177.378 176.300 -0.384 0.000 0.978 349 D CA 1.304 55.170 54.000 -0.223 0.000 0.829 349 D CB -0.015 40.586 40.800 -0.333 0.000 0.981 349 D HN 0.243 nan 8.370 nan 0.000 0.464 350 F N -0.056 119.974 119.950 0.134 0.000 2.721 350 F HA 0.348 4.873 4.527 -0.003 0.000 0.301 350 F C 1.549 177.414 175.800 0.108 0.000 1.096 350 F CA 0.332 58.413 58.000 0.134 0.000 1.308 350 F CB 0.483 39.590 39.000 0.178 0.000 1.086 350 F HN -0.033 nan 8.300 nan 0.000 0.587 351 G N 0.592 109.523 108.800 0.218 0.000 2.728 351 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.294 351 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.294 351 G C 0.446 175.446 174.900 0.167 0.000 1.342 351 G CA -0.314 44.879 45.100 0.154 0.000 0.866 351 G HN 0.133 nan 8.290 nan 0.000 0.534 352 L N -0.244 121.055 121.223 0.126 0.000 2.313 352 L HA 0.145 4.482 4.340 -0.005 0.000 0.214 352 L C 1.036 178.003 176.870 0.162 0.000 1.119 352 L CA 0.678 55.593 54.840 0.125 0.000 0.809 352 L CB -0.134 41.979 42.059 0.090 0.000 0.933 352 L HN 0.386 nan 8.230 nan 0.000 0.449 353 D N 0.875 121.366 120.400 0.151 0.000 2.713 353 D HA 0.136 4.772 4.640 -0.005 0.000 0.229 353 D C 0.233 176.725 176.300 0.321 0.000 1.136 353 D CA 0.399 54.501 54.000 0.170 0.000 1.010 353 D CB 0.475 41.260 40.800 -0.026 0.000 1.084 353 D HN 0.011 nan 8.370 nan 0.000 0.495 354 T N -0.486 114.318 114.554 0.416 0.000 2.812 354 T HA 0.623 4.970 4.350 -0.005 0.000 0.294 354 T C -1.199 173.606 174.700 0.175 0.000 1.159 354 T CA -0.601 61.710 62.100 0.352 0.000 1.008 354 T CB 1.234 70.233 68.868 0.218 0.000 1.289 354 T HN -0.010 nan 8.240 nan 0.000 0.514 355 I N 2.262 122.829 120.570 -0.006 0.000 2.465 355 I HA 0.439 4.606 4.170 -0.005 0.000 0.291 355 I C -0.449 175.572 176.117 -0.160 0.000 1.014 355 I CA -1.149 60.050 61.300 -0.169 0.000 1.093 355 I CB 2.187 40.016 38.000 -0.285 0.000 1.267 355 I HN 0.298 nan 8.210 nan 0.000 0.431 356 V N 5.373 125.191 119.914 -0.159 0.000 2.405 356 V HA 0.109 4.225 4.120 -0.005 0.000 0.264 356 V C 0.310 176.217 176.094 -0.312 0.000 1.048 356 V CA -0.310 61.880 62.300 -0.183 0.000 0.966 356 V CB 0.784 32.531 31.823 -0.126 0.000 1.015 356 V HN 0.611 nan 8.190 nan 0.000 0.477 357 N N 4.564 123.085 118.700 -0.298 0.000 2.558 357 N HA 0.310 5.047 4.740 -0.005 0.000 0.233 357 N C 0.849 176.127 175.510 -0.386 0.000 1.038 357 N CA 0.055 52.910 53.050 -0.324 0.000 0.934 357 N CB 1.586 39.919 38.487 -0.257 0.000 1.175 357 N HN 0.692 nan 8.380 nan 0.000 0.512 358 A N 2.745 125.202 122.820 -0.606 0.000 2.172 358 A HA 0.227 4.544 4.320 -0.005 0.000 0.216 358 A C 1.435 178.841 177.584 -0.296 0.000 1.154 358 A CA 0.913 52.532 52.037 -0.697 0.000 0.701 358 A CB -1.073 17.308 19.000 -1.032 0.000 0.789 358 A HN 0.891 nan 8.150 nan 0.000 0.465 359 G N -1.176 107.483 108.800 -0.236 0.000 2.582 359 G HA2 -0.146 3.811 3.960 -0.005 0.000 0.300 359 G HA3 -0.146 3.811 3.960 -0.005 0.000 0.300 359 G C 1.151 176.016 174.900 -0.059 0.000 1.300 359 G CA 0.271 45.302 45.100 -0.116 0.000 0.959 359 G HN 1.303 nan 8.290 nan 0.000 0.548 360 G N 0.046 108.866 108.800 0.033 0.000 2.813 360 G HA2 0.376 4.333 3.960 -0.005 0.000 0.209 360 G HA3 0.376 4.333 3.960 -0.005 0.000 0.209 360 G C 1.613 176.606 174.900 0.155 0.000 1.150 360 G CA 1.284 46.483 45.100 0.164 0.000 0.785 360 G HN 1.633 nan 8.290 nan 0.000 0.535 361 G N 0.972 109.791 108.800 0.032 0.000 2.471 361 G HA2 -0.150 3.807 3.960 -0.005 0.000 0.219 361 G HA3 -0.150 3.807 3.960 -0.005 0.000 0.219 361 G C 1.589 176.507 174.900 0.031 0.000 1.125 361 G CA 0.485 45.585 45.100 0.000 0.000 0.775 361 G HN 0.447 nan 8.290 nan 0.000 0.548 362 I N -0.006 120.549 120.570 -0.026 0.000 2.335 362 I HA -0.194 3.973 4.170 -0.005 0.000 0.251 362 I C 2.254 178.350 176.117 -0.035 0.000 1.129 362 I CA 1.027 62.310 61.300 -0.029 0.000 1.402 362 I CB -0.017 37.837 38.000 -0.242 0.000 1.069 362 I HN 0.236 nan 8.210 nan 0.000 0.424 363 H N -0.235 118.906 119.070 0.118 0.000 2.524 363 H HA 0.046 4.599 4.556 -0.005 0.000 0.282 363 H C 2.042 177.484 175.328 0.189 0.000 1.016 363 H CA 1.039 57.163 56.048 0.126 0.000 1.270 363 H CB -0.302 29.514 29.762 0.090 0.000 1.394 363 H HN 0.453 nan 8.280 nan 0.000 0.568 364 G N 0.214 109.213 108.800 0.331 0.000 2.848 364 G HA2 -0.136 3.820 3.960 -0.005 0.000 0.208 364 G HA3 -0.136 3.820 3.960 -0.005 0.000 0.208 364 G C 0.673 175.859 174.900 0.478 0.000 1.152 364 G CA -0.219 45.106 45.100 0.375 0.000 0.789 364 G HN 0.369 nan 8.290 nan 0.000 0.531 365 H N 1.183 120.489 119.070 0.394 0.000 2.790 365 H HA 0.093 4.645 4.556 -0.006 0.000 0.358 365 H C -1.367 174.022 175.328 0.103 0.000 1.103 365 H CA -1.248 54.977 56.048 0.296 0.000 1.426 365 H CB 1.718 31.632 29.762 0.253 0.000 1.424 365 H HN -0.089 nan 8.280 nan 0.000 0.599 366 P HA -0.143 nan 4.420 nan 0.000 0.217 366 P C 0.193 177.562 177.300 0.115 0.000 1.151 366 P CA 1.550 64.579 63.100 -0.118 0.000 0.849 366 P CB 0.289 31.815 31.700 -0.290 0.000 0.787 367 D N -0.995 119.647 120.400 0.403 0.000 2.615 367 D HA 0.257 4.894 4.640 -0.005 0.000 0.236 367 D C 1.153 177.561 176.300 0.181 0.000 1.233 367 D CA 0.329 54.479 54.000 0.249 0.000 0.829 367 D CB 0.030 40.948 40.800 0.197 0.000 1.024 367 D HN 0.061 nan 8.370 nan 0.000 0.490 368 G N 1.193 110.119 108.800 0.211 0.000 2.697 368 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.240 368 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.240 368 G C 1.114 176.076 174.900 0.102 0.000 1.346 368 G CA -0.153 45.044 45.100 0.161 0.000 0.887 368 G HN 0.313 nan 8.290 nan 0.000 0.569 369 A N -0.835 122.021 122.820 0.061 0.000 1.978 369 A HA 0.029 4.346 4.320 -0.005 0.000 0.220 369 A C 2.597 180.124 177.584 -0.095 0.000 1.170 369 A CA 2.378 54.366 52.037 -0.081 0.000 0.636 369 A CB -0.408 18.508 19.000 -0.140 0.000 0.810 369 A HN 0.956 nan 8.150 nan 0.000 0.448 370 I N -0.522 120.007 120.570 -0.069 0.000 2.179 370 I HA -0.207 3.960 4.170 -0.005 0.000 0.242 370 I C 2.713 178.741 176.117 -0.148 0.000 1.088 370 I CA 1.237 62.484 61.300 -0.087 0.000 1.357 370 I CB -0.712 37.253 38.000 -0.058 0.000 1.051 370 I HN 0.398 nan 8.210 nan 0.000 0.409 371 G N 0.432 109.102 108.800 -0.218 0.000 2.408 371 G HA2 -0.153 3.804 3.960 -0.005 0.000 0.217 371 G HA3 -0.153 3.804 3.960 -0.005 0.000 0.217 371 G C 1.720 176.116 174.900 -0.840 0.000 1.150 371 G CA 0.771 45.550 45.100 -0.535 0.000 0.776 371 G HN 0.494 nan 8.290 nan 0.000 0.542 372 G N 0.842 109.333 108.800 -0.515 0.000 2.418 372 G HA2 0.036 3.993 3.960 -0.005 0.000 0.217 372 G HA3 0.036 3.993 3.960 -0.005 0.000 0.217 372 G C 1.765 176.706 174.900 0.069 0.000 1.158 372 G CA 1.380 46.417 45.100 -0.105 0.000 0.771 372 G HN 0.569 nan 8.290 nan 0.000 0.545 373 G N 0.238 109.036 108.800 -0.004 0.000 2.408 373 G HA2 -0.127 3.829 3.960 -0.005 0.000 0.217 373 G HA3 -0.127 3.829 3.960 -0.005 0.000 0.217 373 G C 1.936 176.860 174.900 0.039 0.000 1.150 373 G CA 0.682 45.808 45.100 0.043 0.000 0.776 373 G HN 0.427 nan 8.290 nan 0.000 0.542 374 R N 0.415 120.885 120.500 -0.050 0.000 2.096 374 R HA 0.032 4.368 4.340 -0.005 0.000 0.235 374 R C 2.988 179.274 176.300 -0.023 0.000 1.127 374 R CA 1.098 57.171 56.100 -0.044 0.000 0.968 374 R CB -0.277 29.975 30.300 -0.080 0.000 0.861 374 R HN 0.355 nan 8.270 nan 0.000 0.440 375 A N 0.466 123.254 122.820 -0.053 0.000 1.898 375 A HA -0.145 4.172 4.320 -0.005 0.000 0.216 375 A C 1.862 179.409 177.584 -0.063 0.000 1.181 375 A CA 1.143 53.152 52.037 -0.046 0.000 0.620 375 A CB -0.554 18.433 19.000 -0.021 0.000 0.819 375 A HN 0.190 nan 8.150 nan 0.000 0.442 376 F N -0.019 119.928 119.950 -0.005 0.000 2.102 376 F HA -0.120 4.404 4.527 -0.006 0.000 0.298 376 F C 2.627 178.412 175.800 -0.025 0.000 1.105 376 F CA 1.530 59.518 58.000 -0.020 0.000 1.239 376 F CB -0.177 38.792 39.000 -0.050 0.000 0.991 376 F HN 0.058 nan 8.300 nan 0.000 0.474 377 R N 0.208 120.803 120.500 0.159 0.000 2.096 377 R HA -0.094 4.243 4.340 -0.005 0.000 0.235 377 R C 2.323 178.654 176.300 0.052 0.000 1.127 377 R CA 1.228 57.376 56.100 0.080 0.000 0.968 377 R CB -1.422 28.904 30.300 0.042 0.000 0.861 377 R HN 0.316 nan 8.270 nan 0.000 0.440 378 A N 0.969 123.810 122.820 0.034 0.000 1.933 378 A HA -0.044 4.273 4.320 -0.005 0.000 0.218 378 A C 2.365 179.958 177.584 0.016 0.000 1.175 378 A CA 1.731 53.778 52.037 0.017 0.000 0.628 378 A CB -0.474 18.529 19.000 0.004 0.000 0.814 378 A HN 0.339 nan 8.150 nan 0.000 0.444 379 A N -0.042 122.785 122.820 0.013 0.000 1.898 379 A HA -0.032 4.285 4.320 -0.005 0.000 0.216 379 A C 2.107 179.709 177.584 0.029 0.000 1.181 379 A CA 1.403 53.443 52.037 0.005 0.000 0.620 379 A CB -0.570 18.412 19.000 -0.030 0.000 0.819 379 A HN 0.480 nan 8.150 nan 0.000 0.442 380 I N 0.009 120.613 120.570 0.056 0.000 2.179 380 I HA -0.257 3.910 4.170 -0.005 0.000 0.242 380 I C 1.870 178.013 176.117 0.043 0.000 1.088 380 I CA 1.556 62.890 61.300 0.058 0.000 1.357 380 I CB -0.478 37.563 38.000 0.068 0.000 1.051 380 I HN 0.249 nan 8.210 nan 0.000 0.409 381 D N 1.060 121.483 120.400 0.037 0.000 2.123 381 D HA -0.161 4.476 4.640 -0.005 0.000 0.196 381 D C 2.252 178.568 176.300 0.025 0.000 0.992 381 D CA 1.561 55.579 54.000 0.031 0.000 0.833 381 D CB -0.227 40.588 40.800 0.025 0.000 0.954 381 D HN 0.361 nan 8.370 nan 0.000 0.455 382 A N 0.677 123.510 122.820 0.021 0.000 1.865 382 A HA -0.178 4.139 4.320 -0.005 0.000 0.217 382 A C 2.568 180.163 177.584 0.018 0.000 1.191 382 A CA 1.606 53.653 52.037 0.016 0.000 0.623 382 A CB -0.889 18.117 19.000 0.010 0.000 0.826 382 A HN 0.156 nan 8.150 nan 0.000 0.444 383 V N -0.464 119.463 119.914 0.022 0.000 2.332 383 V HA -0.238 3.879 4.120 -0.005 0.000 0.248 383 V C 2.475 178.586 176.094 0.029 0.000 1.055 383 V CA 1.946 64.261 62.300 0.025 0.000 1.038 383 V CB -0.760 31.081 31.823 0.030 0.000 0.651 383 V HN 0.476 nan 8.190 nan 0.000 0.450 384 L N 0.227 121.469 121.223 0.033 0.000 2.217 384 L HA 0.043 4.380 4.340 -0.005 0.000 0.211 384 L C 2.281 179.168 176.870 0.029 0.000 1.107 384 L CA 1.867 56.728 54.840 0.035 0.000 0.783 384 L CB -0.910 41.173 42.059 0.040 0.000 0.919 384 L HN 0.296 nan 8.230 nan 0.000 0.442 385 A N -0.880 121.954 122.820 0.024 0.000 2.278 385 A HA 0.413 4.729 4.320 -0.005 0.000 0.212 385 A C 1.573 179.168 177.584 0.017 0.000 1.213 385 A CA 0.495 52.544 52.037 0.020 0.000 0.840 385 A CB -0.860 18.151 19.000 0.017 0.000 0.866 385 A HN 0.434 nan 8.150 nan 0.000 0.489 386 G N 0.638 109.449 108.800 0.019 0.000 2.314 386 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.292 386 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.292 386 G C 0.035 174.942 174.900 0.013 0.000 1.059 386 G CA 0.527 45.637 45.100 0.016 0.000 0.982 386 G HN 1.188 nan 8.290 nan 0.000 0.505 387 R N -0.860 119.647 120.500 0.012 0.000 2.771 387 R HA 0.772 5.109 4.340 -0.005 0.000 0.274 387 R C -2.856 173.449 176.300 0.008 0.000 0.987 387 R CA -2.140 53.966 56.100 0.009 0.000 0.908 387 R CB 1.961 32.266 30.300 0.008 0.000 1.213 387 R HN 0.083 nan 8.270 nan 0.000 0.468 388 P HA 0.039 nan 4.420 nan 0.000 0.268 388 P C 0.862 178.163 177.300 0.002 0.000 1.205 388 P CA -0.372 62.731 63.100 0.004 0.000 0.771 388 P CB 1.009 32.712 31.700 0.004 0.000 0.858 389 L N 2.099 123.322 121.223 -0.000 0.000 2.043 389 L HA -0.219 4.118 4.340 -0.005 0.000 0.212 389 L C 2.730 179.598 176.870 -0.002 0.000 1.075 389 L CA 1.847 56.685 54.840 -0.003 0.000 0.752 389 L CB -0.484 41.570 42.059 -0.008 0.000 0.891 389 L HN 0.456 nan 8.230 nan 0.000 0.432 390 R N -0.545 119.954 120.500 -0.001 0.000 2.152 390 R HA -0.115 4.222 4.340 -0.005 0.000 0.232 390 R C 2.349 178.648 176.300 -0.002 0.000 1.117 390 R CA 1.028 57.127 56.100 -0.002 0.000 0.981 390 R CB -0.344 29.955 30.300 -0.001 0.000 0.870 390 R HN 0.369 nan 8.270 nan 0.000 0.451 391 A N 1.280 124.100 122.820 -0.000 0.000 1.898 391 A HA -0.081 4.236 4.320 -0.005 0.000 0.216 391 A C 2.350 179.934 177.584 0.000 0.000 1.181 391 A CA 1.609 53.646 52.037 0.000 0.000 0.620 391 A CB -0.520 18.481 19.000 0.002 0.000 0.819 391 A HN 0.369 nan 8.150 nan 0.000 0.442 392 A N -0.261 122.560 122.820 0.001 0.000 1.929 392 A HA 0.261 4.578 4.320 -0.005 0.000 0.216 392 A C 2.453 180.036 177.584 -0.000 0.000 1.176 392 A CA 1.720 53.757 52.037 0.001 0.000 0.628 392 A CB -0.916 18.085 19.000 0.003 0.000 0.816 392 A HN 1.034 nan 8.150 nan 0.000 0.444 393 A N -0.001 122.818 122.820 -0.002 0.000 1.978 393 A HA 0.139 4.455 4.320 -0.005 0.000 0.220 393 A C 2.341 179.922 177.584 -0.004 0.000 1.170 393 A CA 1.866 53.901 52.037 -0.003 0.000 0.636 393 A CB -0.821 18.176 19.000 -0.005 0.000 0.810 393 A HN 1.077 nan 8.150 nan 0.000 0.448 394 A N -0.585 122.233 122.820 -0.004 0.000 2.172 394 A HA -0.031 4.286 4.320 -0.005 0.000 0.216 394 A C 1.579 179.160 177.584 -0.004 0.000 1.154 394 A CA 1.370 53.404 52.037 -0.005 0.000 0.701 394 A CB -0.274 18.723 19.000 -0.005 0.000 0.789 394 A HN 0.666 nan 8.150 nan 0.000 0.465 395 E N -1.120 119.079 120.200 -0.002 0.000 2.562 395 E HA 0.095 4.442 4.350 -0.005 0.000 0.214 395 E C -0.242 176.357 176.600 -0.001 0.000 0.979 395 E CA -0.273 56.126 56.400 -0.002 0.000 1.002 395 E CB 0.391 30.091 29.700 -0.001 0.000 1.048 395 E HN 0.400 nan 8.360 nan 0.000 0.488 396 N N 1.624 120.324 118.700 0.000 0.000 2.576 396 N HA 0.013 4.749 4.740 -0.005 0.000 0.269 396 N C 0.140 175.655 175.510 0.008 0.000 1.058 396 N CA 0.104 53.156 53.050 0.002 0.000 0.860 396 N CB 1.543 40.032 38.487 0.002 0.000 1.249 396 N HN 0.025 nan 8.380 nan 0.000 0.525 397 E N 3.039 123.245 120.200 0.010 0.000 2.085 397 E HA -0.209 4.138 4.350 -0.005 0.000 0.194 397 E C 1.482 178.113 176.600 0.051 0.000 0.994 397 E CA 1.597 58.008 56.400 0.018 0.000 0.801 397 E CB 0.199 29.909 29.700 0.015 0.000 0.743 397 E HN 0.693 nan 8.360 nan 0.000 0.453 398 A N 0.968 123.824 122.820 0.060 0.000 1.908 398 A HA -0.194 4.122 4.320 -0.005 0.000 0.218 398 A C 2.126 179.822 177.584 0.187 0.000 1.181 398 A CA 1.450 53.564 52.037 0.127 0.000 0.627 398 A CB -0.648 18.331 19.000 -0.035 0.000 0.818 398 A HN 0.385 nan 8.150 nan 0.000 0.445 399 L N -0.623 120.641 121.223 0.068 0.000 2.056 399 L HA -0.123 4.213 4.340 -0.005 0.000 0.207 399 L C 2.441 179.327 176.870 0.027 0.000 1.078 399 L CA 2.637 57.501 54.840 0.040 0.000 0.749 399 L CB -0.787 41.275 42.059 0.005 0.000 0.901 399 L HN 0.484 nan 8.230 nan 0.000 0.433 400 Q N 0.104 119.911 119.800 0.012 0.000 2.084 400 Q HA -0.224 4.113 4.340 -0.005 0.000 0.202 400 Q C 2.207 178.173 176.000 -0.057 0.000 0.978 400 Q CA 1.967 57.759 55.803 -0.018 0.000 0.844 400 Q CB -0.178 28.547 28.738 -0.020 0.000 0.898 400 Q HN 0.490 nan 8.270 nan 0.000 0.426 401 K N -0.457 119.908 120.400 -0.059 0.000 2.103 401 K HA -0.123 4.194 4.320 -0.005 0.000 0.207 401 K C 2.006 178.411 176.600 -0.324 0.000 1.048 401 K CA 1.180 57.354 56.287 -0.189 0.000 0.930 401 K CB -0.270 32.105 32.500 -0.208 0.000 0.716 401 K HN 0.310 nan 8.250 nan 0.000 0.444 402 A N 1.393 124.112 122.820 -0.168 0.000 1.873 402 A HA -0.127 4.190 4.320 -0.005 0.000 0.215 402 A C 2.099 179.637 177.584 -0.077 0.000 1.186 402 A CA 1.182 53.144 52.037 -0.125 0.000 0.616 402 A CB -0.527 18.610 19.000 0.228 0.000 0.823 402 A HN 0.160 nan 8.150 nan 0.000 0.442 403 I N 0.065 120.622 120.570 -0.023 0.000 2.163 403 I HA -0.246 3.921 4.170 -0.005 0.000 0.243 403 I C 1.615 177.691 176.117 -0.069 0.000 1.085 403 I CA 1.584 62.885 61.300 0.003 0.000 1.347 403 I CB -0.507 37.492 38.000 -0.001 0.000 1.044 403 I HN 0.279 nan 8.210 nan 0.000 0.408 404 D N 0.218 120.537 120.400 -0.136 0.000 2.264 404 D HA -0.123 4.513 4.640 -0.005 0.000 0.208 404 D C 2.245 178.391 176.300 -0.257 0.000 0.966 404 D CA 0.696 54.600 54.000 -0.160 0.000 0.864 404 D CB -0.144 40.563 40.800 -0.155 0.000 0.933 404 D HN 0.162 nan 8.370 nan 0.000 0.499 405 R N -0.377 119.858 120.500 -0.442 0.000 2.080 405 R HA -0.000 4.337 4.340 -0.005 0.000 0.222 405 R C 1.363 177.230 176.300 -0.721 0.000 1.107 405 R CA 0.738 56.376 56.100 -0.771 0.000 0.980 405 R CB -0.020 29.419 30.300 -1.435 0.000 0.879 405 R HN 0.298 nan 8.270 nan 0.000 0.439 406 W N -0.228 121.008 121.300 -0.106 0.000 2.725 406 W HA 0.376 5.033 4.660 -0.005 0.000 0.336 406 W C 0.549 176.995 176.519 -0.121 0.000 1.012 406 W CA 0.348 57.589 57.345 -0.174 0.000 1.566 406 W CB -0.244 29.040 29.460 -0.294 0.000 1.068 406 W HN 0.213 nan 8.180 nan 0.000 0.546 407 G N 1.142 110.010 108.800 0.115 0.000 2.760 407 G HA2 -0.159 3.797 3.960 -0.005 0.000 0.246 407 G HA3 -0.159 3.797 3.960 -0.005 0.000 0.246 407 G C -1.268 173.732 174.900 0.167 0.000 1.359 407 G CA -0.606 44.555 45.100 0.102 0.000 0.861 407 G HN -0.063 nan 8.290 nan 0.000 0.541 408 V N -0.147 119.833 119.914 0.110 0.000 2.540 408 V HA 0.564 4.681 4.120 -0.005 0.000 0.302 408 V C 0.599 176.740 176.094 0.078 0.000 1.035 408 V CA -0.736 61.615 62.300 0.086 0.000 0.873 408 V CB 1.744 33.590 31.823 0.039 0.000 0.992 408 V HN 0.949 nan 8.190 nan 0.000 0.428 409 V N 3.530 123.477 119.914 0.056 0.000 2.432 409 V HA 0.265 4.382 4.120 -0.005 0.000 0.271 409 V C 0.357 176.458 176.094 0.012 0.000 1.046 409 V CA -0.449 61.873 62.300 0.037 0.000 0.945 409 V CB 1.302 33.123 31.823 -0.003 0.000 0.992 409 V HN 0.953 nan 8.190 nan 0.000 0.471 410 E N 3.905 124.119 120.200 0.024 0.000 2.414 410 E HA 0.080 4.427 4.350 -0.005 0.000 0.263 410 E C 0.629 177.237 176.600 0.015 0.000 1.000 410 E CA 0.315 56.725 56.400 0.018 0.000 0.914 410 E CB 1.357 31.070 29.700 0.022 0.000 0.948 410 E HN 0.514 nan 8.360 nan 0.000 0.444 411 V N 1.197 121.117 119.914 0.010 0.000 3.635 411 V HA 0.234 4.351 4.120 -0.005 0.000 0.266 411 V C 0.778 176.881 176.094 0.014 0.000 1.316 411 V CA 0.270 62.577 62.300 0.012 0.000 1.060 411 V CB -0.575 31.253 31.823 0.007 0.000 0.820 411 V HN 0.687 nan 8.190 nan 0.000 0.447 412 E N 1.978 122.186 120.200 0.013 0.000 2.493 412 E HA 0.371 4.718 4.350 -0.005 0.000 0.255 412 E C 0.710 177.317 176.600 0.013 0.000 0.999 412 E CA 0.366 56.773 56.400 0.012 0.000 0.934 412 E CB 0.745 30.452 29.700 0.011 0.000 0.940 412 E HN 0.719 nan 8.360 nan 0.000 0.473 413 A N 0.000 122.827 122.820 0.011 0.000 2.254 413 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 413 A CA 0.000 52.043 52.037 0.010 0.000 0.836 413 A CB 0.000 19.004 19.000 0.007 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486