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 2oem_1_A 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 AIDRWGVV 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 0.000 174.612 174.600 0.019 0.000 1.055 2 S CA 0.000 58.218 58.200 0.030 0.000 1.107 2 S CB 0.000 63.229 63.200 0.048 0.000 0.593 3 A N 3.525 126.360 122.820 0.024 0.000 2.549 3 A HA 0.798 5.118 4.320 -0.001 0.000 0.297 3 A C -1.100 176.506 177.584 0.036 0.000 1.061 3 A CA -0.616 51.446 52.037 0.041 0.000 0.690 3 A CB 1.738 20.762 19.000 0.039 0.000 1.287 3 A HN 0.974 nan 8.150 nan 0.000 0.402 4 V N 2.645 122.610 119.914 0.084 0.000 2.461 4 V HA 0.376 4.495 4.120 -0.001 0.000 0.275 4 V C 0.327 176.460 176.094 0.067 0.000 1.047 4 V CA 0.007 62.334 62.300 0.044 0.000 0.955 4 V CB 1.161 33.024 31.823 0.067 0.000 0.988 4 V HN 0.883 nan 8.190 nan 0.000 0.471 5 M N 5.493 125.058 119.600 -0.059 0.000 2.088 5 M HA 0.667 5.146 4.480 -0.001 0.000 0.346 5 M C -0.069 176.156 176.300 -0.126 0.000 1.111 5 M CA -0.362 54.902 55.300 -0.060 0.000 1.017 5 M CB 0.904 33.445 32.600 -0.097 0.000 1.568 5 M HN 0.727 nan 8.290 nan 0.000 0.445 6 A N 3.806 126.591 122.820 -0.059 0.000 2.312 6 A HA 0.723 5.043 4.320 -0.001 0.000 0.326 6 A C -0.531 176.790 177.584 -0.439 0.000 1.172 6 A CA -0.483 51.382 52.037 -0.287 0.000 0.821 6 A CB 0.854 19.710 19.000 -0.240 0.000 1.166 6 A HN 0.761 nan 8.150 nan 0.000 0.493 7 T N 2.436 116.659 114.554 -0.551 0.000 2.779 7 T HA 0.591 4.941 4.350 -0.001 0.000 0.280 7 T C -1.184 173.214 174.700 -0.503 0.000 0.987 7 T CA 0.210 62.080 62.100 -0.383 0.000 0.966 7 T CB 0.198 68.927 68.868 -0.231 0.000 0.933 7 T HN 0.446 nan 8.240 nan 0.000 0.442 8 Y N 1.460 121.732 120.300 -0.047 0.000 2.562 8 Y HA 0.714 5.264 4.550 -0.001 0.000 0.343 8 Y C -0.389 175.490 175.900 -0.033 0.000 1.025 8 Y CA -1.558 56.517 58.100 -0.042 0.000 1.082 8 Y CB 1.312 39.782 38.460 0.017 0.000 1.264 8 Y HN 0.427 nan 8.280 nan 0.000 0.478 9 L N 2.802 124.120 121.223 0.159 0.000 2.305 9 L HA 0.680 5.020 4.340 -0.001 0.000 0.284 9 L C -1.854 175.085 176.870 0.114 0.000 1.013 9 L CA -0.562 54.324 54.840 0.077 0.000 0.819 9 L CB 0.685 42.779 42.059 0.058 0.000 1.227 9 L HN 0.512 nan 8.230 nan 0.000 0.417 10 L N 5.010 126.246 121.223 0.022 0.000 2.342 10 L HA 0.584 4.923 4.340 -0.001 0.000 0.271 10 L C -0.962 175.847 176.870 -0.102 0.000 1.008 10 L CA -0.365 54.497 54.840 0.036 0.000 0.818 10 L CB 1.937 44.001 42.059 0.008 0.000 1.296 10 L HN 0.582 nan 8.230 nan 0.000 0.427 11 H N 0.596 119.641 119.070 -0.041 0.000 2.609 11 H HA 0.711 5.267 4.556 0.000 0.000 0.344 11 H C -1.365 173.865 175.328 -0.163 0.000 1.040 11 H CA -0.620 55.364 56.048 -0.107 0.000 1.216 11 H CB 1.725 31.379 29.762 -0.180 0.000 1.529 11 H HN 0.531 nan 8.280 nan 0.000 0.519 12 D N 0.103 120.470 120.400 -0.056 0.000 2.706 12 D HA 0.088 4.727 4.640 -0.001 0.000 0.225 12 D C 0.193 176.445 176.300 -0.080 0.000 1.241 12 D CA -0.559 53.391 54.000 -0.083 0.000 0.784 12 D CB 1.523 42.289 40.800 -0.055 0.000 1.521 12 D HN 0.732 nan 8.370 nan 0.000 0.461 13 E N 0.057 120.207 120.200 -0.083 0.000 2.442 13 E HA 0.083 4.433 4.350 -0.001 0.000 0.195 13 E C 0.430 177.004 176.600 -0.043 0.000 1.030 13 E CA 0.132 56.496 56.400 -0.061 0.000 0.869 13 E CB 0.212 29.876 29.700 -0.061 0.000 0.857 13 E HN 0.376 nan 8.360 nan 0.000 0.505 14 T N -1.175 113.353 114.554 -0.043 0.000 2.948 14 T HA 0.152 4.502 4.350 -0.001 0.000 0.285 14 T C -0.073 174.609 174.700 -0.031 0.000 1.019 14 T CA -0.918 61.162 62.100 -0.032 0.000 1.013 14 T CB 1.526 70.376 68.868 -0.029 0.000 1.117 14 T HN -0.097 nan 8.240 nan 0.000 0.533 15 D N 0.174 120.559 120.400 -0.025 0.000 2.502 15 D HA -0.016 4.624 4.640 -0.001 0.000 0.249 15 D C 1.078 177.362 176.300 -0.027 0.000 1.188 15 D CA -0.006 53.980 54.000 -0.024 0.000 0.890 15 D CB -0.124 40.665 40.800 -0.019 0.000 1.140 15 D HN 0.545 nan 8.370 nan 0.000 0.505 16 I N 3.654 124.205 120.570 -0.030 0.000 2.315 16 I HA -0.201 3.969 4.170 -0.001 0.000 0.248 16 I C 2.479 178.579 176.117 -0.028 0.000 1.117 16 I CA 0.544 61.825 61.300 -0.032 0.000 1.404 16 I CB -0.143 37.834 38.000 -0.037 0.000 1.071 16 I HN 0.435 nan 8.210 nan 0.000 0.419 17 R N 1.683 122.167 120.500 -0.026 0.000 2.081 17 R HA -0.225 4.115 4.340 -0.001 0.000 0.235 17 R C 2.332 178.617 176.300 -0.025 0.000 1.131 17 R CA 1.668 57.753 56.100 -0.025 0.000 0.960 17 R CB -0.158 30.129 30.300 -0.023 0.000 0.856 17 R HN 0.195 nan 8.270 nan 0.000 0.436 18 K N 0.792 121.180 120.400 -0.022 0.000 2.026 18 K HA -0.227 4.092 4.320 -0.001 0.000 0.208 18 K C 2.097 178.685 176.600 -0.021 0.000 1.048 18 K CA 1.909 58.184 56.287 -0.018 0.000 0.929 18 K CB -0.088 32.403 32.500 -0.015 0.000 0.713 18 K HN 0.099 nan 8.250 nan 0.000 0.439 19 K N 0.087 120.472 120.400 -0.025 0.000 2.057 19 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 19 K C 1.977 178.555 176.600 -0.036 0.000 1.049 19 K CA 1.263 57.532 56.287 -0.030 0.000 0.931 19 K CB -0.209 32.271 32.500 -0.033 0.000 0.714 19 K HN 0.226 nan 8.250 nan 0.000 0.440 20 A N 1.440 124.238 122.820 -0.037 0.000 1.908 20 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 20 A C 1.845 179.402 177.584 -0.045 0.000 1.181 20 A CA 1.868 53.879 52.037 -0.042 0.000 0.627 20 A CB -0.535 18.447 19.000 -0.030 0.000 0.818 20 A HN 0.517 nan 8.150 nan 0.000 0.445 21 E N -0.784 119.392 120.200 -0.039 0.000 2.106 21 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 21 E C 2.093 178.674 176.600 -0.031 0.000 0.984 21 E CA 0.683 57.058 56.400 -0.041 0.000 0.806 21 E CB -0.344 29.337 29.700 -0.033 0.000 0.750 21 E HN 0.620 nan 8.360 nan 0.000 0.458 22 G N 1.252 110.039 108.800 -0.021 0.000 2.422 22 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.218 22 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.218 22 G C 1.589 176.486 174.900 -0.005 0.000 1.140 22 G CA 0.370 45.465 45.100 -0.008 0.000 0.775 22 G HN 0.098 nan 8.290 nan 0.000 0.545 23 I N 1.236 121.795 120.570 -0.018 0.000 2.163 23 I HA -0.109 4.061 4.170 -0.001 0.000 0.240 23 I C 3.302 179.425 176.117 0.010 0.000 1.081 23 I CA 0.919 62.217 61.300 -0.003 0.000 1.353 23 I CB -0.265 37.713 38.000 -0.037 0.000 1.054 23 I HN 0.221 nan 8.210 nan 0.000 0.407 24 A N 0.609 123.397 122.820 -0.053 0.000 1.917 24 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 24 A C 2.236 179.787 177.584 -0.055 0.000 1.182 24 A CA 1.952 53.916 52.037 -0.121 0.000 0.633 24 A CB -0.752 18.156 19.000 -0.152 0.000 0.819 24 A HN 0.412 nan 8.150 nan 0.000 0.448 25 L N -0.740 120.469 121.223 -0.023 0.000 2.084 25 L HA 0.217 4.557 4.340 -0.001 0.000 0.202 25 L C 2.442 179.344 176.870 0.054 0.000 1.074 25 L CA 2.118 56.965 54.840 0.011 0.000 0.757 25 L CB -1.108 40.961 42.059 0.016 0.000 0.918 25 L HN 0.264 nan 8.230 nan 0.000 0.444 26 G N -0.117 108.712 108.800 0.049 0.000 2.442 26 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.219 26 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.219 26 G C 1.406 176.354 174.900 0.080 0.000 1.141 26 G CA 1.049 46.184 45.100 0.058 0.000 0.763 26 G HN 0.392 nan 8.290 nan 0.000 0.554 27 L N 1.328 122.617 121.223 0.110 0.000 2.627 27 L HA 0.203 4.542 4.340 -0.001 0.000 0.232 27 L C 2.100 179.097 176.870 0.212 0.000 1.150 27 L CA 0.600 55.538 54.840 0.162 0.000 0.917 27 L CB -0.011 42.186 42.059 0.230 0.000 1.104 27 L HN 0.449 nan 8.230 nan 0.000 0.445 28 T N -3.309 111.347 114.554 0.169 0.000 3.216 28 T HA 0.143 4.493 4.350 -0.001 0.000 0.167 28 T C 1.355 176.141 174.700 0.144 0.000 0.905 28 T CA 0.121 62.333 62.100 0.187 0.000 1.042 28 T CB -0.353 68.618 68.868 0.173 0.000 1.787 28 T HN 0.107 nan 8.240 nan 0.000 0.355 29 I N -0.610 120.043 120.570 0.139 0.000 3.578 29 I HA 0.585 4.754 4.170 -0.001 0.000 0.295 29 I C 1.854 178.046 176.117 0.125 0.000 1.280 29 I CA 0.445 61.831 61.300 0.142 0.000 1.347 29 I CB -0.573 37.551 38.000 0.207 0.000 1.051 29 I HN 0.803 nan 8.210 nan 0.000 0.460 30 G N 2.055 110.921 108.800 0.110 0.000 4.890 30 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.221 30 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.221 30 G C 0.464 175.426 174.900 0.104 0.000 1.472 30 G CA 0.443 45.598 45.100 0.092 0.000 0.962 30 G HN 0.768 nan 8.290 nan 0.000 0.671 31 T N -3.693 110.940 114.554 0.131 0.000 2.901 31 T HA 0.656 5.006 4.350 -0.001 0.000 0.293 31 T C 0.109 174.965 174.700 0.260 0.000 1.084 31 T CA 0.339 62.531 62.100 0.152 0.000 1.008 31 T CB 2.574 71.497 68.868 0.093 0.000 1.170 31 T HN 1.180 nan 8.240 nan 0.000 0.509 32 W N 0.601 121.913 121.300 0.020 0.000 4.634 32 W HA -0.018 4.642 4.660 -0.001 0.000 0.188 32 W C 1.710 178.239 176.519 0.017 0.000 1.087 32 W CA 0.645 58.003 57.345 0.021 0.000 1.788 32 W CB -0.294 29.179 29.460 0.021 0.000 0.651 32 W HN 0.846 nan 8.180 nan 0.000 0.982 33 T N -0.358 114.238 114.554 0.071 0.000 3.007 33 T HA -0.202 4.148 4.350 -0.001 0.000 0.270 33 T C 0.992 175.627 174.700 -0.108 0.000 1.107 33 T CA 1.784 63.849 62.100 -0.059 0.000 1.118 33 T CB -0.626 68.281 68.868 0.064 0.000 0.889 33 T HN 0.236 nan 8.240 nan 0.000 0.506 34 D N 0.631 120.987 120.400 -0.075 0.000 2.340 34 D HA 0.108 4.747 4.640 -0.001 0.000 0.217 34 D C 0.392 176.631 176.300 -0.103 0.000 1.081 34 D CA -0.335 53.625 54.000 -0.067 0.000 0.842 34 D CB -0.377 40.409 40.800 -0.023 0.000 0.934 34 D HN 0.401 nan 8.370 nan 0.000 0.511 35 L N 0.823 121.934 121.223 -0.187 0.000 2.312 35 L HA 0.396 4.735 4.340 -0.001 0.000 0.281 35 L C -2.075 174.663 176.870 -0.220 0.000 1.070 35 L CA -1.953 52.764 54.840 -0.205 0.000 0.805 35 L CB 1.144 43.030 42.059 -0.288 0.000 1.174 35 L HN -0.286 nan 8.230 nan 0.000 0.434 36 P HA 0.067 nan 4.420 nan 0.000 0.272 36 P C 0.216 177.429 177.300 -0.146 0.000 1.240 36 P CA -0.151 62.877 63.100 -0.120 0.000 0.791 36 P CB 0.750 32.406 31.700 -0.075 0.000 0.978 37 A N 1.174 123.928 122.820 -0.111 0.000 1.869 37 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 37 A C 1.903 179.441 177.584 -0.077 0.000 1.203 37 A CA 2.041 54.020 52.037 -0.098 0.000 0.638 37 A CB -1.774 17.192 19.000 -0.058 0.000 0.831 37 A HN 0.471 nan 8.150 nan 0.000 0.450 38 L N -0.177 121.017 121.223 -0.048 0.000 2.127 38 L HA -0.174 4.165 4.340 -0.001 0.000 0.211 38 L C 2.382 179.241 176.870 -0.019 0.000 1.089 38 L CA 2.069 56.895 54.840 -0.022 0.000 0.757 38 L CB -0.811 41.240 42.059 -0.012 0.000 0.899 38 L HN 0.502 nan 8.230 nan 0.000 0.434 39 E N -1.122 119.050 120.200 -0.046 0.000 2.152 39 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 39 E C 2.163 178.737 176.600 -0.043 0.000 0.983 39 E CA 0.641 57.021 56.400 -0.034 0.000 0.818 39 E CB -0.053 29.615 29.700 -0.052 0.000 0.758 39 E HN 0.600 nan 8.360 nan 0.000 0.467 40 Q N 0.671 120.371 119.800 -0.166 0.000 2.079 40 Q HA -0.191 4.149 4.340 -0.001 0.000 0.200 40 Q C 2.107 178.167 176.000 0.101 0.000 0.974 40 Q CA 1.506 57.136 55.803 -0.289 0.000 0.840 40 Q CB -0.118 28.228 28.738 -0.653 0.000 0.898 40 Q HN 0.423 nan 8.270 nan 0.000 0.430 41 E N 0.677 120.917 120.200 0.067 0.000 2.274 41 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 41 E C 1.914 178.588 176.600 0.124 0.000 0.996 41 E CA 0.848 57.317 56.400 0.116 0.000 0.840 41 E CB -0.125 29.613 29.700 0.064 0.000 0.772 41 E HN 0.337 nan 8.360 nan 0.000 0.491 42 Q N 0.798 120.667 119.800 0.115 0.000 2.212 42 Q HA -0.001 4.339 4.340 -0.001 0.000 0.199 42 Q C 1.916 178.045 176.000 0.215 0.000 0.950 42 Q CA 0.682 56.563 55.803 0.130 0.000 0.863 42 Q CB 0.232 29.028 28.738 0.097 0.000 0.944 42 Q HN 0.395 nan 8.270 nan 0.000 0.465 43 L N 0.068 121.452 121.223 0.269 0.000 2.640 43 L HA 0.183 4.523 4.340 -0.001 0.000 0.230 43 L C 2.067 179.165 176.870 0.381 0.000 1.123 43 L CA -0.179 54.891 54.840 0.384 0.000 0.900 43 L CB 0.036 42.303 42.059 0.346 0.000 1.146 43 L HN 0.081 nan 8.230 nan 0.000 0.484 44 R N 2.478 123.187 120.500 0.348 0.000 2.096 44 R HA -0.219 4.120 4.340 -0.001 0.000 0.240 44 R C 2.174 178.495 176.300 0.036 0.000 1.139 44 R CA 2.068 58.291 56.100 0.206 0.000 0.952 44 R CB -0.309 30.115 30.300 0.208 0.000 0.854 44 R HN 0.454 nan 8.270 nan 0.000 0.436 45 K N -1.523 118.869 120.400 -0.013 0.000 2.360 45 K HA -0.142 4.178 4.320 -0.001 0.000 0.201 45 K C 0.864 177.335 176.600 -0.215 0.000 1.046 45 K CA 1.592 57.789 56.287 -0.149 0.000 0.945 45 K CB -0.181 32.176 32.500 -0.238 0.000 0.750 45 K HN 0.400 nan 8.250 nan 0.000 0.464 46 H N 0.634 119.744 119.070 0.067 0.000 2.622 46 H HA 0.167 4.723 4.556 -0.001 0.000 0.269 46 H C -0.121 175.243 175.328 0.060 0.000 0.977 46 H CA -0.076 56.021 56.048 0.082 0.000 1.179 46 H CB 0.436 30.264 29.762 0.110 0.000 1.458 46 H HN 0.145 nan 8.280 nan 0.000 0.531 47 K N 1.709 122.156 120.400 0.078 0.000 2.349 47 K HA 0.202 4.521 4.320 -0.001 0.000 0.288 47 K C 0.515 177.071 176.600 -0.074 0.000 1.058 47 K CA -0.265 55.997 56.287 -0.042 0.000 0.953 47 K CB 0.671 33.004 32.500 -0.278 0.000 0.997 47 K HN 0.153 nan 8.250 nan 0.000 0.477 48 G N 3.138 111.901 108.800 -0.062 0.000 2.572 48 G HA2 0.196 4.156 3.960 -0.001 0.000 0.261 48 G HA3 0.196 4.156 3.960 -0.001 0.000 0.261 48 G C -0.778 174.014 174.900 -0.179 0.000 1.197 48 G CA -0.347 44.672 45.100 -0.134 0.000 0.870 48 G HN 0.614 nan 8.290 nan 0.000 0.548 49 E N -0.508 119.570 120.200 -0.203 0.000 2.343 49 E HA 0.251 4.601 4.350 -0.001 0.000 0.278 49 E C -0.987 175.518 176.600 -0.157 0.000 0.910 49 E CA -0.706 55.592 56.400 -0.169 0.000 0.757 49 E CB 2.292 31.906 29.700 -0.144 0.000 1.218 49 E HN 0.202 nan 8.360 nan 0.000 0.435 50 V N 2.898 122.740 119.914 -0.120 0.000 2.427 50 V HA 0.027 4.147 4.120 -0.001 0.000 0.268 50 V C 1.331 177.380 176.094 -0.075 0.000 1.046 50 V CA 0.075 62.322 62.300 -0.089 0.000 0.970 50 V CB 0.934 32.718 31.823 -0.065 0.000 1.001 50 V HN 0.567 nan 8.190 nan 0.000 0.476 51 V N 4.174 124.048 119.914 -0.068 0.000 2.535 51 V HA 0.313 4.433 4.120 -0.001 0.000 0.246 51 V C 0.862 176.929 176.094 -0.046 0.000 1.045 51 V CA 1.551 63.816 62.300 -0.059 0.000 1.058 51 V CB -0.037 31.750 31.823 -0.060 0.000 0.689 51 V HN 0.976 nan 8.190 nan 0.000 0.461 52 A N -0.748 122.049 122.820 -0.038 0.000 2.597 52 A HA 0.749 5.069 4.320 -0.001 0.000 0.292 52 A C -1.523 176.048 177.584 -0.023 0.000 1.057 52 A CA -0.402 51.616 52.037 -0.032 0.000 0.674 52 A CB 1.303 20.283 19.000 -0.034 0.000 1.278 52 A HN 0.087 nan 8.150 nan 0.000 0.416 53 I N 1.195 121.751 120.570 -0.023 0.000 2.500 53 I HA 0.335 4.505 4.170 -0.001 0.000 0.286 53 I C -0.456 175.646 176.117 -0.025 0.000 1.063 53 I CA -0.116 61.172 61.300 -0.020 0.000 1.062 53 I CB 2.027 40.014 38.000 -0.021 0.000 1.223 53 I HN 0.813 nan 8.210 nan 0.000 0.435 54 E N 6.854 127.038 120.200 -0.026 0.000 2.092 54 E HA 0.278 4.627 4.350 -0.001 0.000 0.271 54 E C -0.686 175.893 176.600 -0.035 0.000 0.919 54 E CA -0.512 55.870 56.400 -0.030 0.000 0.760 54 E CB 1.081 30.762 29.700 -0.032 0.000 1.106 54 E HN 0.521 nan 8.360 nan 0.000 0.408 55 E N 4.033 124.213 120.200 -0.033 0.000 2.344 55 E HA 0.070 4.419 4.350 -0.001 0.000 0.270 55 E C 0.627 177.204 176.600 -0.038 0.000 1.021 55 E CA 0.054 56.432 56.400 -0.037 0.000 0.887 55 E CB 1.128 30.810 29.700 -0.030 0.000 0.997 55 E HN 0.596 nan 8.360 nan 0.000 0.429 56 L N 2.258 123.452 121.223 -0.048 0.000 2.609 56 L HA 0.259 4.598 4.340 -0.001 0.000 0.230 56 L C 0.912 177.763 176.870 -0.031 0.000 1.087 56 L CA 0.186 55.000 54.840 -0.043 0.000 0.874 56 L CB 0.046 42.068 42.059 -0.061 0.000 1.114 56 L HN 0.808 nan 8.230 nan 0.000 0.488 57 G N 1.168 109.949 108.800 -0.031 0.000 2.712 57 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.686 57 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.686 57 G C -0.589 174.305 174.900 -0.009 0.000 1.321 57 G CA -0.794 44.296 45.100 -0.017 0.000 0.813 57 G HN 0.189 nan 8.290 nan 0.000 0.599 58 E N -0.425 119.778 120.200 0.005 0.000 2.373 58 E HA 0.476 4.825 4.350 -0.001 0.000 0.263 58 E C 0.281 176.910 176.600 0.047 0.000 1.073 58 E CA 0.220 56.636 56.400 0.026 0.000 0.894 58 E CB 1.325 31.040 29.700 0.026 0.000 1.008 58 E HN 0.594 nan 8.360 nan 0.000 0.420 59 S N 1.508 117.258 115.700 0.084 0.000 2.498 59 S HA 0.091 4.560 4.470 -0.001 0.000 0.317 59 S C 0.675 175.341 174.600 0.109 0.000 1.090 59 S CA -0.726 57.534 58.200 0.100 0.000 1.089 59 S CB 0.881 64.167 63.200 0.144 0.000 0.997 59 S HN 0.407 nan 8.310 nan 0.000 0.470 60 E N 3.969 124.219 120.200 0.083 0.000 2.077 60 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 60 E C 1.910 178.572 176.600 0.104 0.000 0.989 60 E CA 0.964 57.412 56.400 0.080 0.000 0.800 60 E CB -0.256 29.478 29.700 0.057 0.000 0.746 60 E HN 0.780 nan 8.360 nan 0.000 0.452 61 R N 0.868 121.432 120.500 0.107 0.000 2.083 61 R HA -0.120 4.219 4.340 -0.001 0.000 0.237 61 R C 2.288 178.702 176.300 0.189 0.000 1.137 61 R CA 1.462 57.634 56.100 0.119 0.000 0.951 61 R CB -0.123 30.232 30.300 0.091 0.000 0.851 61 R HN 0.019 nan 8.270 nan 0.000 0.434 62 V N 1.665 121.725 119.914 0.244 0.000 2.358 62 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 62 V C 1.811 178.126 176.094 0.368 0.000 1.047 62 V CA 1.939 64.468 62.300 0.382 0.000 1.035 62 V CB -0.687 31.405 31.823 0.449 0.000 0.658 62 V HN 0.406 nan 8.190 nan 0.000 0.452 63 N N 0.849 119.693 118.700 0.239 0.000 2.069 63 N HA -0.150 4.589 4.740 -0.001 0.000 0.191 63 N C 1.864 177.470 175.510 0.160 0.000 1.031 63 N CA 1.779 54.935 53.050 0.178 0.000 0.852 63 N CB -0.660 37.893 38.487 0.110 0.000 1.018 63 N HN 0.480 nan 8.380 nan 0.000 0.423 64 A N -0.064 122.842 122.820 0.143 0.000 1.902 64 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 64 A C 2.179 179.827 177.584 0.106 0.000 1.181 64 A CA 1.316 53.417 52.037 0.106 0.000 0.623 64 A CB -1.068 17.990 19.000 0.098 0.000 0.818 64 A HN 0.438 nan 8.150 nan 0.000 0.443 65 Y N -0.662 119.639 120.300 0.003 0.000 2.145 65 Y HA -0.195 4.355 4.550 -0.001 0.000 0.286 65 Y C 1.778 177.541 175.900 -0.227 0.000 1.145 65 Y CA 1.825 59.851 58.100 -0.123 0.000 1.148 65 Y CB -0.527 37.833 38.460 -0.166 0.000 0.981 65 Y HN 0.262 nan 8.280 nan 0.000 0.507 66 F N -0.017 119.812 119.950 -0.201 0.000 2.710 66 F HA 0.200 4.728 4.527 0.001 0.000 0.298 66 F C 2.086 177.776 175.800 -0.184 0.000 1.137 66 F CA 1.037 58.856 58.000 -0.300 0.000 1.444 66 F CB -0.407 38.460 39.000 -0.223 0.000 1.111 66 F HN 0.195 nan 8.300 nan 0.000 0.580 67 G N 1.038 109.861 108.800 0.038 0.000 2.179 67 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.257 67 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.257 67 G C 0.203 175.125 174.900 0.036 0.000 1.010 67 G CA 0.411 45.521 45.100 0.018 0.000 0.736 67 G HN 0.396 nan 8.290 nan 0.000 0.513 68 K N -1.353 119.086 120.400 0.066 0.000 2.522 68 K HA 0.529 4.849 4.320 -0.001 0.000 0.275 68 K C -0.221 176.398 176.600 0.032 0.000 1.006 68 K CA -1.160 55.146 56.287 0.032 0.000 0.890 68 K CB 1.565 34.069 32.500 0.006 0.000 1.475 68 K HN 0.097 nan 8.250 nan 0.000 0.441 69 R N 1.526 122.031 120.500 0.008 0.000 2.196 69 R HA 0.290 4.629 4.340 -0.001 0.000 0.340 69 R C -0.971 175.319 176.300 -0.017 0.000 1.043 69 R CA -0.663 55.442 56.100 0.009 0.000 0.883 69 R CB 0.100 30.403 30.300 0.005 0.000 1.078 69 R HN 0.155 nan 8.270 nan 0.000 0.462 70 L N 3.951 125.166 121.223 -0.013 0.000 2.287 70 L HA 0.326 4.666 4.340 -0.001 0.000 0.287 70 L C 0.227 177.086 176.870 -0.018 0.000 1.022 70 L CA -0.232 54.581 54.840 -0.045 0.000 0.814 70 L CB 1.283 43.282 42.059 -0.100 0.000 1.217 70 L HN 0.304 nan 8.230 nan 0.000 0.420 71 K N 3.645 124.021 120.400 -0.040 0.000 2.295 71 K HA 0.509 4.829 4.320 -0.001 0.000 0.270 71 K C -0.349 176.197 176.600 -0.090 0.000 1.011 71 K CA -0.454 55.805 56.287 -0.047 0.000 0.953 71 K CB 0.900 33.373 32.500 -0.045 0.000 0.956 71 K HN 0.476 nan 8.250 nan 0.000 0.477 72 R N 0.437 120.867 120.500 -0.116 0.000 2.750 72 R HA 0.717 5.056 4.340 -0.001 0.000 0.281 72 R C -1.213 174.995 176.300 -0.152 0.000 0.972 72 R CA -0.880 55.085 56.100 -0.225 0.000 0.912 72 R CB 2.161 32.297 30.300 -0.274 0.000 1.187 72 R HN 0.706 nan 8.270 nan 0.000 0.464 73 A N 2.398 125.123 122.820 -0.158 0.000 2.605 73 A HA 0.499 4.818 4.320 -0.001 0.000 0.294 73 A C -1.332 176.214 177.584 -0.063 0.000 1.062 73 A CA -0.722 51.262 52.037 -0.088 0.000 0.682 73 A CB 1.221 20.185 19.000 -0.059 0.000 1.278 73 A HN 0.631 nan 8.150 nan 0.000 0.410 74 I N 1.715 122.261 120.570 -0.039 0.000 2.312 74 I HA 0.436 4.606 4.170 -0.001 0.000 0.290 74 I C -0.691 175.430 176.117 0.007 0.000 1.008 74 I CA -0.724 60.567 61.300 -0.015 0.000 1.226 74 I CB 1.503 39.484 38.000 -0.031 0.000 1.371 74 I HN 0.325 nan 8.210 nan 0.000 0.468 75 V N 7.012 126.962 119.914 0.059 0.000 2.459 75 V HA 0.382 4.502 4.120 -0.001 0.000 0.295 75 V C -0.110 176.055 176.094 0.118 0.000 1.029 75 V CA -0.842 61.508 62.300 0.084 0.000 0.874 75 V CB 1.872 33.761 31.823 0.109 0.000 0.985 75 V HN 0.619 nan 8.190 nan 0.000 0.438 76 K N 5.457 125.888 120.400 0.050 0.000 2.307 76 K HA 0.713 5.033 4.320 -0.001 0.000 0.263 76 K C -1.243 175.366 176.600 0.015 0.000 0.973 76 K CA -0.400 55.894 56.287 0.013 0.000 0.846 76 K CB 2.089 34.565 32.500 -0.040 0.000 1.100 76 K HN 0.520 nan 8.250 nan 0.000 0.438 77 I N 1.902 122.495 120.570 0.037 0.000 2.509 77 I HA 0.394 4.564 4.170 -0.001 0.000 0.293 77 I C -0.477 175.529 176.117 -0.185 0.000 1.020 77 I CA -1.034 60.213 61.300 -0.089 0.000 1.088 77 I CB 2.103 40.048 38.000 -0.091 0.000 1.267 77 I HN 0.596 nan 8.210 nan 0.000 0.430 78 A N 6.064 128.731 122.820 -0.255 0.000 2.260 78 A HA 0.679 4.999 4.320 -0.001 0.000 0.314 78 A C -1.455 175.982 177.584 -0.245 0.000 1.257 78 A CA -0.217 51.722 52.037 -0.163 0.000 0.871 78 A CB 0.158 19.101 19.000 -0.095 0.000 1.166 78 A HN 0.593 nan 8.150 nan 0.000 0.522 79 Y N 2.962 123.304 120.300 0.070 0.000 2.356 79 Y HA 0.376 4.926 4.550 -0.001 0.000 0.334 79 Y C -2.293 173.718 175.900 0.185 0.000 0.958 79 Y CA -2.443 55.742 58.100 0.141 0.000 1.196 79 Y CB 1.366 39.924 38.460 0.164 0.000 1.137 79 Y HN 0.518 nan 8.280 nan 0.000 0.485 80 P HA -0.059 nan 4.420 nan 0.000 0.262 80 P C 0.932 178.304 177.300 0.119 0.000 1.182 80 P CA 0.467 63.653 63.100 0.143 0.000 0.761 80 P CB 0.743 32.497 31.700 0.091 0.000 0.795 81 T N -1.020 113.495 114.554 -0.065 0.000 3.007 81 T HA -0.118 4.231 4.350 -0.001 0.000 0.270 81 T C 1.344 175.812 174.700 -0.387 0.000 1.107 81 T CA 1.267 63.113 62.100 -0.423 0.000 1.118 81 T CB -1.027 67.718 68.868 -0.204 0.000 0.889 81 T HN 0.265 nan 8.240 nan 0.000 0.506 82 V N -0.584 119.263 119.914 -0.111 0.000 3.444 82 V HA 0.126 4.246 4.120 -0.001 0.000 0.271 82 V C 1.677 177.858 176.094 0.145 0.000 1.188 82 V CA 0.903 63.200 62.300 -0.004 0.000 1.168 82 V CB -1.117 30.692 31.823 -0.024 0.000 0.810 82 V HN 0.246 nan 8.190 nan 0.000 0.500 83 N N 0.956 119.753 118.700 0.160 0.000 2.446 83 N HA 0.233 4.972 4.740 -0.001 0.000 0.179 83 N C 0.026 175.765 175.510 0.382 0.000 1.054 83 N CA 0.725 53.984 53.050 0.348 0.000 0.905 83 N CB 0.076 38.850 38.487 0.479 0.000 0.973 83 N HN 0.864 nan 8.380 nan 0.000 0.448 84 F N -2.338 117.733 119.950 0.202 0.000 2.662 84 F HA 0.614 5.141 4.527 -0.000 0.000 0.312 84 F C 0.013 175.952 175.800 0.231 0.000 1.113 84 F CA -1.742 56.373 58.000 0.192 0.000 0.951 84 F CB 0.549 39.658 39.000 0.182 0.000 1.344 84 F HN -0.251 nan 8.300 nan 0.000 0.462 85 S N 0.472 116.393 115.700 0.367 0.000 2.593 85 S HA 0.566 5.036 4.470 -0.001 0.000 0.269 85 S C 0.205 175.026 174.600 0.367 0.000 1.334 85 S CA -0.306 58.045 58.200 0.252 0.000 1.015 85 S CB 1.207 64.521 63.200 0.191 0.000 0.912 85 S HN 1.261 nan 8.310 nan 0.000 0.541 86 A N 1.993 124.923 122.820 0.183 0.000 3.026 86 A HA 0.462 4.781 4.320 -0.001 0.000 0.272 86 A C -0.089 177.547 177.584 0.088 0.000 1.782 86 A CA -0.522 51.575 52.037 0.101 0.000 1.451 86 A CB -1.586 17.230 19.000 -0.306 0.000 1.081 86 A HN 0.915 nan 8.150 nan 0.000 0.611 87 D N -1.057 119.590 120.400 0.411 0.000 2.655 87 D HA 0.372 5.012 4.640 -0.001 0.000 0.229 87 D C 0.535 177.107 176.300 0.454 0.000 1.229 87 D CA -0.840 53.382 54.000 0.370 0.000 0.807 87 D CB 0.609 41.525 40.800 0.194 0.000 1.514 87 D HN -0.009 nan 8.370 nan 0.000 0.444 88 L N -0.035 121.407 121.223 0.364 0.000 2.083 88 L HA 0.017 4.356 4.340 -0.001 0.000 0.209 88 L C -0.768 176.228 176.870 0.211 0.000 1.083 88 L CA 1.195 56.180 54.840 0.241 0.000 0.752 88 L CB -1.375 40.772 42.059 0.147 0.000 0.899 88 L HN 0.381 nan 8.230 nan 0.000 0.433 89 P HA -0.142 nan 4.420 nan 0.000 0.217 89 P C 1.514 178.902 177.300 0.148 0.000 1.150 89 P CA 1.655 64.854 63.100 0.165 0.000 0.832 89 P CB 0.041 31.829 31.700 0.148 0.000 0.787 90 A N -0.656 122.276 122.820 0.186 0.000 1.930 90 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 90 A C 2.101 179.678 177.584 -0.011 0.000 1.175 90 A CA 1.297 53.432 52.037 0.164 0.000 0.627 90 A CB -1.621 17.578 19.000 0.332 0.000 0.815 90 A HN 0.159 nan 8.150 nan 0.000 0.443 91 L N -0.114 121.146 121.223 0.062 0.000 2.017 91 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 91 L C 2.245 179.035 176.870 -0.132 0.000 1.073 91 L CA 1.775 56.531 54.840 -0.141 0.000 0.745 91 L CB -0.495 41.658 42.059 0.157 0.000 0.894 91 L HN 0.390 nan 8.230 nan 0.000 0.432 92 L N -1.589 119.658 121.223 0.040 0.000 2.046 92 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 92 L C 2.437 179.333 176.870 0.043 0.000 1.077 92 L CA 1.006 55.904 54.840 0.097 0.000 0.747 92 L CB -0.645 41.536 42.059 0.203 0.000 0.896 92 L HN 0.137 nan 8.230 nan 0.000 0.432 93 V N -0.659 119.260 119.914 0.008 0.000 2.427 93 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 93 V C 2.524 178.563 176.094 -0.092 0.000 1.051 93 V CA 2.181 64.473 62.300 -0.013 0.000 1.048 93 V CB -0.569 31.263 31.823 0.015 0.000 0.666 93 V HN 0.469 nan 8.190 nan 0.000 0.456 94 T N 0.095 114.516 114.554 -0.221 0.000 2.777 94 T HA -0.149 4.201 4.350 -0.001 0.000 0.266 94 T C 1.919 176.306 174.700 -0.522 0.000 1.040 94 T CA 2.075 63.949 62.100 -0.377 0.000 1.141 94 T CB -0.316 68.132 68.868 -0.701 0.000 0.868 94 T HN 0.743 nan 8.240 nan 0.000 0.444 95 T N -1.803 112.479 114.554 -0.453 0.000 3.057 95 T HA 0.207 4.556 4.350 -0.001 0.000 0.254 95 T C 0.460 175.281 174.700 0.201 0.000 1.094 95 T CA 0.062 61.961 62.100 -0.334 0.000 1.088 95 T CB -0.060 68.654 68.868 -0.255 0.000 0.934 95 T HN 0.216 nan 8.240 nan 0.000 0.497 96 F N 0.874 120.791 119.950 -0.055 0.000 2.453 96 F HA 0.579 5.106 4.527 -0.001 0.000 0.382 96 F C 0.914 176.708 175.800 -0.009 0.000 1.495 96 F CA -1.423 56.591 58.000 0.023 0.000 1.071 96 F CB 0.297 39.329 39.000 0.053 0.000 1.577 96 F HN 0.122 nan 8.300 nan 0.000 0.508 97 G N 0.651 109.417 108.800 -0.056 0.000 2.549 97 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.219 97 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.219 97 G C 1.337 176.143 174.900 -0.156 0.000 1.677 97 G CA 0.378 45.424 45.100 -0.089 0.000 0.929 97 G HN 0.213 nan 8.290 nan 0.000 0.549 98 K N -0.324 120.016 120.400 -0.100 0.000 2.147 98 K HA -0.020 4.300 4.320 -0.001 0.000 0.205 98 K C 2.428 178.939 176.600 -0.149 0.000 1.049 98 K CA 0.997 57.224 56.287 -0.100 0.000 0.936 98 K CB -0.230 32.241 32.500 -0.049 0.000 0.722 98 K HN 0.193 nan 8.250 nan 0.000 0.446 99 L N 1.500 122.629 121.223 -0.157 0.000 2.191 99 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 99 L C 2.051 178.694 176.870 -0.378 0.000 1.103 99 L CA 2.132 56.865 54.840 -0.179 0.000 0.769 99 L CB -0.665 41.352 42.059 -0.069 0.000 0.908 99 L HN 0.319 nan 8.230 nan 0.000 0.438 100 S N -1.506 113.745 115.700 -0.749 0.000 2.507 100 S HA -0.110 4.359 4.470 -0.001 0.000 0.235 100 S C 1.684 176.035 174.600 -0.415 0.000 0.988 100 S CA 1.148 58.709 58.200 -1.065 0.000 0.944 100 S CB -0.685 61.798 63.200 -1.196 0.000 0.762 100 S HN 0.551 nan 8.310 nan 0.000 0.526 101 L N 0.511 121.574 121.223 -0.267 0.000 2.585 101 L HA 0.320 4.659 4.340 -0.001 0.000 0.226 101 L C 0.855 177.672 176.870 -0.088 0.000 1.113 101 L CA 0.068 54.818 54.840 -0.150 0.000 0.876 101 L CB -0.245 41.742 42.059 -0.119 0.000 1.072 101 L HN 0.134 nan 8.230 nan 0.000 0.468 102 D N 1.590 121.941 120.400 -0.082 0.000 2.801 102 D HA 0.270 4.909 4.640 -0.001 0.000 0.232 102 D C 1.107 177.417 176.300 0.016 0.000 1.128 102 D CA 0.858 54.836 54.000 -0.036 0.000 1.003 102 D CB -0.236 40.535 40.800 -0.049 0.000 1.110 102 D HN 0.314 nan 8.370 nan 0.000 0.477 103 G N 2.167 110.993 108.800 0.043 0.000 2.550 103 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.277 103 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.277 103 G C -0.112 174.951 174.900 0.273 0.000 1.190 103 G CA -0.289 44.878 45.100 0.113 0.000 0.971 103 G HN 0.409 nan 8.290 nan 0.000 0.559 104 E N 0.488 120.799 120.200 0.186 0.000 1.893 104 E HA 0.538 4.888 4.350 -0.001 0.000 0.269 104 E C -0.210 176.497 176.600 0.178 0.000 1.129 104 E CA 0.049 56.536 56.400 0.146 0.000 0.904 104 E CB 1.132 30.764 29.700 -0.114 0.000 1.077 104 E HN 0.648 nan 8.360 nan 0.000 0.407 105 V N 3.140 123.217 119.914 0.272 0.000 2.623 105 V HA 0.483 4.602 4.120 -0.001 0.000 0.304 105 V C -0.384 175.969 176.094 0.432 0.000 1.054 105 V CA -0.957 61.517 62.300 0.290 0.000 0.882 105 V CB 2.088 34.053 31.823 0.236 0.000 1.002 105 V HN 0.447 nan 8.190 nan 0.000 0.424 106 R N 3.793 124.479 120.500 0.310 0.000 2.513 106 R HA 0.650 4.989 4.340 -0.001 0.000 0.301 106 R C -1.493 174.799 176.300 -0.013 0.000 0.968 106 R CA -0.832 55.367 56.100 0.165 0.000 0.872 106 R CB 1.715 32.066 30.300 0.085 0.000 1.177 106 R HN 0.629 nan 8.270 nan 0.000 0.444 107 L N 6.297 127.249 121.223 -0.451 0.000 2.315 107 L HA 0.226 4.565 4.340 -0.001 0.000 0.283 107 L C -0.141 176.516 176.870 -0.354 0.000 1.089 107 L CA 0.364 54.875 54.840 -0.549 0.000 0.833 107 L CB 0.890 42.324 42.059 -1.041 0.000 1.170 107 L HN 0.875 nan 8.230 nan 0.000 0.442 108 L N 2.868 123.920 121.223 -0.285 0.000 2.316 108 L HA 0.376 4.716 4.340 -0.001 0.000 0.207 108 L C 0.062 176.817 176.870 -0.191 0.000 1.070 108 L CA 0.201 54.924 54.840 -0.196 0.000 0.820 108 L CB 0.014 41.986 42.059 -0.146 0.000 0.992 108 L HN 0.632 nan 8.230 nan 0.000 0.466 109 D N -1.292 118.955 120.400 -0.255 0.000 2.653 109 D HA 0.516 5.156 4.640 -0.001 0.000 0.258 109 D C -1.618 174.507 176.300 -0.291 0.000 1.252 109 D CA -0.339 53.528 54.000 -0.220 0.000 0.777 109 D CB 1.825 42.514 40.800 -0.186 0.000 1.339 109 D HN -0.207 nan 8.370 nan 0.000 0.422 110 L N 1.438 122.477 121.223 -0.306 0.000 2.436 110 L HA 0.530 4.870 4.340 -0.001 0.000 0.268 110 L C -0.581 175.798 176.870 -0.819 0.000 0.974 110 L CA -0.667 53.891 54.840 -0.472 0.000 0.826 110 L CB 2.224 44.096 42.059 -0.313 0.000 1.291 110 L HN 0.293 nan 8.230 nan 0.000 0.406 111 E N 2.766 122.479 120.200 -0.812 0.000 2.222 111 E HA 0.636 4.986 4.350 -0.001 0.000 0.267 111 E C -1.633 174.528 176.600 -0.732 0.000 0.884 111 E CA -0.577 55.379 56.400 -0.741 0.000 0.764 111 E CB 2.415 31.918 29.700 -0.329 0.000 1.169 111 E HN 0.209 nan 8.360 nan 0.000 0.413 112 F N 1.087 121.049 119.950 0.019 0.000 2.561 112 F HA 0.489 5.016 4.527 -0.001 0.000 0.321 112 F C -2.224 173.634 175.800 0.097 0.000 1.065 112 F CA -2.870 55.153 58.000 0.038 0.000 0.934 112 F CB 0.497 39.610 39.000 0.189 0.000 1.215 112 F HN 0.217 nan 8.300 nan 0.000 0.471 113 P HA 0.084 nan 4.420 nan 0.000 0.272 113 P C 0.221 177.684 177.300 0.272 0.000 1.223 113 P CA 0.007 63.239 63.100 0.219 0.000 0.784 113 P CB 0.830 32.646 31.700 0.193 0.000 0.923 114 D N 1.057 121.557 120.400 0.167 0.000 2.123 114 D HA -0.231 4.408 4.640 -0.001 0.000 0.196 114 D C 1.583 177.970 176.300 0.144 0.000 0.992 114 D CA 1.401 55.477 54.000 0.127 0.000 0.833 114 D CB -0.061 40.770 40.800 0.053 0.000 0.954 114 D HN 0.546 nan 8.370 nan 0.000 0.455 115 E N -1.199 119.089 120.200 0.147 0.000 2.118 115 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 115 E C 1.723 178.434 176.600 0.186 0.000 0.992 115 E CA 0.981 57.458 56.400 0.129 0.000 0.804 115 E CB -0.281 29.486 29.700 0.112 0.000 0.741 115 E HN 0.546 nan 8.360 nan 0.000 0.458 116 W N 1.363 122.728 121.300 0.109 0.000 2.407 116 W HA -0.071 4.588 4.660 -0.001 0.000 0.305 116 W C 2.008 178.674 176.519 0.245 0.000 1.196 116 W CA 1.542 58.983 57.345 0.159 0.000 1.311 116 W CB 0.090 29.664 29.460 0.190 0.000 1.135 116 W HN -0.086 nan 8.180 nan 0.000 0.514 117 K N -0.042 120.636 120.400 0.463 0.000 2.103 117 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 117 K C 1.909 178.691 176.600 0.304 0.000 1.048 117 K CA 1.540 58.068 56.287 0.402 0.000 0.930 117 K CB -0.395 32.259 32.500 0.256 0.000 0.716 117 K HN 0.141 nan 8.250 nan 0.000 0.444 118 R N 1.017 121.586 120.500 0.115 0.000 2.341 118 R HA -0.111 4.229 4.340 -0.001 0.000 0.213 118 R C 1.558 177.829 176.300 -0.049 0.000 1.082 118 R CA 0.828 56.949 56.100 0.035 0.000 1.017 118 R CB -0.055 30.239 30.300 -0.010 0.000 0.860 118 R HN 0.381 nan 8.270 nan 0.000 0.473 119 Q N -0.645 119.044 119.800 -0.185 0.000 2.403 119 Q HA 0.073 4.412 4.340 -0.001 0.000 0.203 119 Q C -0.577 174.914 176.000 -0.848 0.000 0.932 119 Q CA 0.360 55.846 55.803 -0.528 0.000 0.945 119 Q CB 0.377 28.647 28.738 -0.780 0.000 1.045 119 Q HN 0.107 nan 8.270 nan 0.000 0.511 120 F N 0.040 119.905 119.950 -0.141 0.000 2.538 120 F HA 0.276 4.803 4.527 -0.001 0.000 0.325 120 F C -1.506 174.300 175.800 0.009 0.000 1.066 120 F CA -2.499 55.428 58.000 -0.121 0.000 0.946 120 F CB 1.268 40.154 39.000 -0.191 0.000 1.199 120 F HN -0.195 nan 8.300 nan 0.000 0.473 121 P HA 0.120 nan 4.420 nan 0.000 0.219 121 P C 0.530 177.830 177.300 -0.000 0.000 1.154 121 P CA 1.282 64.383 63.100 0.003 0.000 0.826 121 P CB 0.433 32.090 31.700 -0.071 0.000 0.795 122 G N 0.767 109.398 108.800 -0.282 0.000 2.796 122 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.226 122 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.226 122 G C -2.955 171.863 174.900 -0.137 0.000 1.381 122 G CA -0.592 44.304 45.100 -0.339 0.000 0.867 122 G HN 0.145 nan 8.290 nan 0.000 0.552 123 P HA 0.272 nan 4.420 nan 0.000 0.271 123 P C 0.820 178.052 177.300 -0.114 0.000 1.218 123 P CA -0.184 62.876 63.100 -0.067 0.000 0.780 123 P CB 0.782 32.465 31.700 -0.029 0.000 0.901 124 R N 1.731 122.108 120.500 -0.206 0.000 2.093 124 R HA 0.008 4.347 4.340 -0.001 0.000 0.224 124 R C 0.798 176.710 176.300 -0.647 0.000 1.101 124 R CA 1.600 57.412 56.100 -0.481 0.000 0.979 124 R CB -0.136 29.729 30.300 -0.725 0.000 0.877 124 R HN 0.411 nan 8.270 nan 0.000 0.441 125 F N -0.774 119.155 119.950 -0.034 0.000 2.537 125 F HA 0.388 4.914 4.527 -0.001 0.000 0.277 125 F C 1.363 177.121 175.800 -0.070 0.000 1.013 125 F CA 0.611 58.585 58.000 -0.043 0.000 1.332 125 F CB -0.351 38.624 39.000 -0.042 0.000 1.108 125 F HN 0.232 nan 8.300 nan 0.000 0.679 126 G N 1.405 110.245 108.800 0.068 0.000 2.804 126 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.230 126 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.230 126 G C 0.835 175.658 174.900 -0.127 0.000 1.386 126 G CA -0.108 44.962 45.100 -0.051 0.000 0.875 126 G HN 0.234 nan 8.290 nan 0.000 0.557 127 I N 0.200 120.595 120.570 -0.291 0.000 2.118 127 I HA -0.207 3.963 4.170 -0.001 0.000 0.241 127 I C 2.512 178.499 176.117 -0.216 0.000 1.070 127 I CA 2.170 63.131 61.300 -0.565 0.000 1.327 127 I CB -0.417 37.128 38.000 -0.759 0.000 1.034 127 I HN 0.549 nan 8.210 nan 0.000 0.405 128 D N 0.919 121.258 120.400 -0.102 0.000 2.104 128 D HA -0.145 4.495 4.640 -0.001 0.000 0.194 128 D C 2.171 178.513 176.300 0.070 0.000 0.994 128 D CA 1.743 55.751 54.000 0.012 0.000 0.830 128 D CB -0.620 40.196 40.800 0.027 0.000 0.959 128 D HN 0.436 nan 8.370 nan 0.000 0.452 129 G N 0.996 109.849 108.800 0.089 0.000 2.422 129 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 129 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 129 G C 1.607 176.542 174.900 0.058 0.000 1.146 129 G CA 0.192 45.386 45.100 0.156 0.000 0.769 129 G HN 0.151 nan 8.290 nan 0.000 0.547 130 I N 0.786 121.378 120.570 0.038 0.000 2.202 130 I HA -0.042 4.128 4.170 -0.001 0.000 0.242 130 I C 2.765 178.910 176.117 0.047 0.000 1.091 130 I CA 0.871 62.183 61.300 0.020 0.000 1.368 130 I CB -1.022 37.005 38.000 0.045 0.000 1.058 130 I HN 0.169 nan 8.210 nan 0.000 0.410 131 R N 0.565 121.106 120.500 0.067 0.000 2.105 131 R HA -0.183 4.157 4.340 -0.001 0.000 0.239 131 R C 1.838 178.015 176.300 -0.204 0.000 1.135 131 R CA 1.461 57.491 56.100 -0.117 0.000 0.967 131 R CB -0.218 29.977 30.300 -0.174 0.000 0.861 131 R HN 0.392 nan 8.270 nan 0.000 0.442 132 D N 0.102 120.524 120.400 0.037 0.000 2.117 132 D HA -0.117 4.522 4.640 -0.001 0.000 0.198 132 D C 1.918 178.242 176.300 0.039 0.000 0.982 132 D CA 1.190 55.275 54.000 0.142 0.000 0.828 132 D CB -0.074 40.812 40.800 0.143 0.000 0.967 132 D HN 0.194 nan 8.370 nan 0.000 0.464 133 R N 0.301 120.786 120.500 -0.025 0.000 2.148 133 R HA -0.042 4.297 4.340 -0.001 0.000 0.223 133 R C 2.309 178.575 176.300 -0.057 0.000 1.088 133 R CA 0.872 56.932 56.100 -0.067 0.000 0.985 133 R CB -0.052 30.161 30.300 -0.145 0.000 0.880 133 R HN 0.231 nan 8.270 nan 0.000 0.451 134 V N -3.319 116.564 119.914 -0.052 0.000 3.052 134 V HA 0.348 4.468 4.120 -0.001 0.000 0.254 134 V C 1.254 177.317 176.094 -0.051 0.000 1.100 134 V CA 0.811 63.078 62.300 -0.054 0.000 1.112 134 V CB -0.124 31.666 31.823 -0.055 0.000 0.738 134 V HN 0.399 nan 8.190 nan 0.000 0.469 135 G N 0.140 108.907 108.800 -0.056 0.000 2.160 135 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.244 135 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.244 135 G C -0.111 174.777 174.900 -0.020 0.000 1.022 135 G CA 0.119 45.227 45.100 0.013 0.000 0.741 135 G HN 1.046 nan 8.290 nan 0.000 0.508 136 V N 0.789 120.578 119.914 -0.209 0.000 2.443 136 V HA 0.570 4.690 4.120 -0.001 0.000 0.293 136 V C 0.564 176.455 176.094 -0.339 0.000 1.021 136 V CA -0.793 61.420 62.300 -0.144 0.000 0.848 136 V CB 1.595 33.374 31.823 -0.073 0.000 0.998 136 V HN 0.390 nan 8.190 nan 0.000 0.424 137 H N 2.363 121.468 119.070 0.058 0.000 3.255 137 H HA 0.222 4.778 4.556 -0.001 0.000 0.256 137 H C 0.688 176.052 175.328 0.060 0.000 1.049 137 H CA 0.173 56.259 56.048 0.063 0.000 1.202 137 H CB 0.957 30.747 29.762 0.046 0.000 1.497 137 H HN 0.591 nan 8.280 nan 0.000 0.503 138 N N 1.377 120.167 118.700 0.151 0.000 2.279 138 N HA 0.081 4.820 4.740 -0.001 0.000 0.226 138 N C -0.079 175.479 175.510 0.081 0.000 1.126 138 N CA -0.106 53.008 53.050 0.106 0.000 0.846 138 N CB 0.772 39.312 38.487 0.088 0.000 1.050 138 N HN 0.324 nan 8.380 nan 0.000 0.502 139 R N -1.056 119.492 120.500 0.080 0.000 2.712 139 R HA 0.450 4.789 4.340 -0.001 0.000 0.272 139 R C -3.515 172.831 176.300 0.077 0.000 1.032 139 R CA -1.494 54.648 56.100 0.070 0.000 0.874 139 R CB 0.336 30.666 30.300 0.051 0.000 1.256 139 R HN -0.271 nan 8.270 nan 0.000 0.468 140 P HA 0.123 nan 4.420 nan 0.000 0.272 140 P C -0.476 176.826 177.300 0.004 0.000 1.223 140 P CA -0.290 62.855 63.100 0.076 0.000 0.784 140 P CB 0.501 32.243 31.700 0.070 0.000 0.923 141 L N 1.503 122.684 121.223 -0.069 0.000 2.468 141 L HA 0.476 4.816 4.340 -0.001 0.000 0.254 141 L C 0.161 176.930 176.870 -0.169 0.000 1.171 141 L CA -0.682 54.069 54.840 -0.147 0.000 0.809 141 L CB 0.205 42.097 42.059 -0.279 0.000 1.155 141 L HN 0.238 nan 8.230 nan 0.000 0.473 142 L N 1.875 122.989 121.223 -0.181 0.000 2.410 142 L HA 0.621 4.961 4.340 -0.001 0.000 0.270 142 L C -0.827 175.888 176.870 -0.258 0.000 0.983 142 L CA -0.126 54.575 54.840 -0.232 0.000 0.822 142 L CB 1.702 43.650 42.059 -0.184 0.000 1.285 142 L HN 0.618 nan 8.230 nan 0.000 0.409 143 M N 3.817 123.226 119.600 -0.318 0.000 2.457 143 M HA 0.740 5.219 4.480 -0.001 0.000 0.300 143 M C -1.098 175.013 176.300 -0.314 0.000 1.141 143 M CA -0.244 54.884 55.300 -0.287 0.000 0.901 143 M CB 2.229 34.663 32.600 -0.276 0.000 1.687 143 M HN 0.789 nan 8.290 nan 0.000 0.449 144 S N 4.097 119.639 115.700 -0.265 0.000 2.607 144 S HA 0.808 5.277 4.470 -0.001 0.000 0.303 144 S C -0.751 173.752 174.600 -0.162 0.000 1.086 144 S CA -0.857 57.192 58.200 -0.250 0.000 0.995 144 S CB 1.422 64.446 63.200 -0.294 0.000 1.084 144 S HN 0.702 nan 8.310 nan 0.000 0.507 145 I N 1.691 122.223 120.570 -0.063 0.000 2.404 145 I HA 0.386 4.555 4.170 -0.001 0.000 0.293 145 I C -0.710 175.522 176.117 0.190 0.000 0.992 145 I CA -0.792 60.538 61.300 0.051 0.000 1.149 145 I CB 1.163 39.203 38.000 0.067 0.000 1.315 145 I HN 0.565 nan 8.210 nan 0.000 0.446 146 F N 5.716 125.731 119.950 0.109 0.000 2.572 146 F HA 0.139 4.666 4.527 -0.001 0.000 0.370 146 F C 0.608 176.389 175.800 -0.030 0.000 1.103 146 F CA 0.641 58.676 58.000 0.057 0.000 1.286 146 F CB 0.329 39.346 39.000 0.027 0.000 1.105 146 F HN 0.263 nan 8.300 nan 0.000 0.583 147 K N 1.627 122.022 120.400 -0.008 0.000 2.378 147 K HA 0.473 4.792 4.320 -0.001 0.000 0.252 147 K C 0.333 176.923 176.600 -0.018 0.000 0.931 147 K CA -0.234 56.013 56.287 -0.067 0.000 0.794 147 K CB 1.708 34.104 32.500 -0.174 0.000 1.181 147 K HN 0.697 nan 8.250 nan 0.000 0.425 148 G N 2.278 111.097 108.800 0.032 0.000 2.198 148 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 148 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 148 G C 0.654 175.602 174.900 0.080 0.000 1.025 148 G CA 0.186 45.318 45.100 0.053 0.000 0.769 148 G HN 0.432 nan 8.290 nan 0.000 0.507 149 M N -0.329 119.310 119.600 0.065 0.000 2.506 149 M HA 0.279 4.759 4.480 -0.001 0.000 0.260 149 M C 1.731 178.024 176.300 -0.011 0.000 1.104 149 M CA 0.178 55.501 55.300 0.037 0.000 1.112 149 M CB -0.328 32.226 32.600 -0.077 0.000 1.401 149 M HN 0.382 nan 8.290 nan 0.000 0.473 150 I N 1.033 121.598 120.570 -0.007 0.000 2.662 150 I HA 0.018 4.187 4.170 -0.001 0.000 0.285 150 I C 1.432 177.536 176.117 -0.021 0.000 1.161 150 I CA 0.681 61.979 61.300 -0.003 0.000 1.415 150 I CB -0.142 37.868 38.000 0.018 0.000 1.385 150 I HN 0.620 nan 8.210 nan 0.000 0.552 151 G N 5.010 113.798 108.800 -0.020 0.000 2.176 151 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.253 151 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.253 151 G C 0.450 175.307 174.900 -0.071 0.000 0.979 151 G CA -0.470 44.608 45.100 -0.037 0.000 0.641 151 G HN 0.512 nan 8.290 nan 0.000 0.530 152 R N 0.974 121.425 120.500 -0.081 0.000 2.553 152 R HA 0.577 4.917 4.340 -0.001 0.000 0.263 152 R C 0.270 176.552 176.300 -0.030 0.000 1.066 152 R CA 0.169 56.198 56.100 -0.118 0.000 1.135 152 R CB 0.526 30.749 30.300 -0.127 0.000 1.148 152 R HN 0.532 nan 8.270 nan 0.000 0.558 153 D N -1.053 119.350 120.400 0.004 0.000 2.569 153 D HA 0.161 4.800 4.640 -0.001 0.000 0.266 153 D C 1.218 177.556 176.300 0.062 0.000 1.164 153 D CA -0.733 53.285 54.000 0.030 0.000 1.071 153 D CB 0.403 41.216 40.800 0.023 0.000 1.183 153 D HN 0.282 nan 8.370 nan 0.000 0.613 154 L N -0.359 120.886 121.223 0.038 0.000 2.131 154 L HA -0.080 4.259 4.340 -0.001 0.000 0.210 154 L C 2.430 179.326 176.870 0.044 0.000 1.092 154 L CA 1.528 56.385 54.840 0.027 0.000 0.759 154 L CB -0.574 41.495 42.059 0.017 0.000 0.903 154 L HN 0.609 nan 8.230 nan 0.000 0.435 155 A N -0.833 122.026 122.820 0.064 0.000 1.933 155 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 155 A C 2.163 179.809 177.584 0.103 0.000 1.175 155 A CA 1.422 53.500 52.037 0.069 0.000 0.628 155 A CB -0.751 18.291 19.000 0.070 0.000 0.814 155 A HN 0.432 nan 8.150 nan 0.000 0.444 156 Y N -0.089 120.210 120.300 -0.001 0.000 2.200 156 Y HA -0.084 4.466 4.550 -0.001 0.000 0.290 156 Y C 2.063 177.979 175.900 0.027 0.000 1.137 156 Y CA 1.547 59.653 58.100 0.011 0.000 1.163 156 Y CB -0.270 38.189 38.460 -0.001 0.000 0.988 156 Y HN 0.284 nan 8.280 nan 0.000 0.518 157 L N -0.437 120.832 121.223 0.076 0.000 1.989 157 L HA -0.249 4.090 4.340 -0.001 0.000 0.211 157 L C 2.502 179.391 176.870 0.032 0.000 1.071 157 L CA 2.506 57.330 54.840 -0.026 0.000 0.749 157 L CB -0.861 41.121 42.059 -0.128 0.000 0.890 157 L HN 0.464 nan 8.230 nan 0.000 0.431 158 T N -3.936 110.618 114.554 -0.000 0.000 2.788 158 T HA -0.199 4.150 4.350 -0.001 0.000 0.268 158 T C 2.067 176.749 174.700 -0.030 0.000 1.044 158 T CA 1.411 63.504 62.100 -0.012 0.000 1.139 158 T CB -0.652 68.209 68.868 -0.012 0.000 0.867 158 T HN 0.411 nan 8.240 nan 0.000 0.454 159 S N 1.014 116.683 115.700 -0.051 0.000 2.348 159 S HA -0.166 4.303 4.470 -0.001 0.000 0.221 159 S C 2.203 176.734 174.600 -0.115 0.000 1.033 159 S CA 1.212 59.361 58.200 -0.084 0.000 1.010 159 S CB -0.545 62.591 63.200 -0.107 0.000 0.891 159 S HN 0.499 nan 8.310 nan 0.000 0.442 160 E N 0.698 120.804 120.200 -0.157 0.000 2.110 160 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 160 E C 2.054 178.592 176.600 -0.104 0.000 0.988 160 E CA 0.719 57.052 56.400 -0.112 0.000 0.804 160 E CB -0.530 29.138 29.700 -0.054 0.000 0.745 160 E HN 0.469 nan 8.360 nan 0.000 0.458 161 L N 1.595 122.792 121.223 -0.044 0.000 2.056 161 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 161 L C 1.940 178.700 176.870 -0.184 0.000 1.078 161 L CA 1.794 56.509 54.840 -0.208 0.000 0.749 161 L CB -0.217 41.792 42.059 -0.083 0.000 0.901 161 L HN -0.083 nan 8.230 nan 0.000 0.433 162 K N -0.588 119.745 120.400 -0.111 0.000 2.097 162 K HA -0.156 4.164 4.320 -0.001 0.000 0.205 162 K C 2.072 178.615 176.600 -0.094 0.000 1.050 162 K CA 1.400 57.633 56.287 -0.089 0.000 0.938 162 K CB -0.113 32.351 32.500 -0.059 0.000 0.718 162 K HN 0.326 nan 8.250 nan 0.000 0.442 163 K N 1.070 121.411 120.400 -0.097 0.000 2.057 163 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 163 K C 2.258 178.787 176.600 -0.117 0.000 1.049 163 K CA 1.437 57.671 56.287 -0.087 0.000 0.931 163 K CB -0.037 32.423 32.500 -0.066 0.000 0.714 163 K HN 0.182 nan 8.250 nan 0.000 0.440 164 Q N 0.145 119.846 119.800 -0.166 0.000 2.084 164 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 164 Q C 2.170 178.065 176.000 -0.174 0.000 0.978 164 Q CA 1.515 57.190 55.803 -0.213 0.000 0.844 164 Q CB -0.150 28.399 28.738 -0.315 0.000 0.898 164 Q HN 0.347 nan 8.270 nan 0.000 0.426 165 A N 0.693 123.420 122.820 -0.156 0.000 1.898 165 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 165 A C 1.989 179.525 177.584 -0.080 0.000 1.181 165 A CA 1.002 52.972 52.037 -0.112 0.000 0.620 165 A CB -0.614 18.331 19.000 -0.092 0.000 0.819 165 A HN 0.310 nan 8.150 nan 0.000 0.442 166 L N -0.521 120.657 121.223 -0.076 0.000 2.353 166 L HA -0.093 4.247 4.340 -0.001 0.000 0.220 166 L C 2.442 179.274 176.870 -0.063 0.000 1.133 166 L CA 0.658 55.463 54.840 -0.059 0.000 0.798 166 L CB -0.351 41.676 42.059 -0.054 0.000 0.922 166 L HN 0.501 nan 8.230 nan 0.000 0.445 167 G N -1.231 107.520 108.800 -0.081 0.000 2.813 167 G HA2 0.190 4.150 3.960 -0.001 0.000 0.209 167 G HA3 0.190 4.150 3.960 -0.001 0.000 0.209 167 G C 1.247 176.110 174.900 -0.060 0.000 1.150 167 G CA 0.500 45.552 45.100 -0.080 0.000 0.785 167 G HN 0.484 nan 8.290 nan 0.000 0.535 168 G N -0.863 107.901 108.800 -0.060 0.000 2.141 168 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.231 168 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.231 168 G C 0.474 175.339 174.900 -0.060 0.000 0.984 168 G CA 0.375 45.448 45.100 -0.045 0.000 0.660 168 G HN 1.438 nan 8.290 nan 0.000 0.525 169 V N -2.056 117.803 119.914 -0.092 0.000 2.811 169 V HA 0.517 4.637 4.120 -0.001 0.000 0.302 169 V C 1.180 177.209 176.094 -0.109 0.000 1.063 169 V CA 0.535 62.761 62.300 -0.123 0.000 1.088 169 V CB 1.196 32.914 31.823 -0.175 0.000 0.982 169 V HN 0.093 nan 8.190 nan 0.000 0.485 170 D N 2.250 122.579 120.400 -0.118 0.000 2.213 170 D HA 0.185 4.825 4.640 -0.001 0.000 0.205 170 D C 0.209 176.446 176.300 -0.105 0.000 0.961 170 D CA 1.225 55.166 54.000 -0.099 0.000 0.853 170 D CB 0.288 41.024 40.800 -0.106 0.000 0.967 170 D HN 0.507 nan 8.370 nan 0.000 0.496 171 L N -0.428 120.712 121.223 -0.138 0.000 2.424 171 L HA 0.429 4.769 4.340 -0.001 0.000 0.258 171 L C -0.417 176.361 176.870 -0.153 0.000 0.995 171 L CA -0.781 53.980 54.840 -0.133 0.000 0.821 171 L CB 2.841 44.797 42.059 -0.172 0.000 1.383 171 L HN -0.359 nan 8.230 nan 0.000 0.410 175 D N 0.769 121.221 120.400 0.087 0.000 2.372 175 D HA 0.045 4.684 4.640 -0.001 0.000 0.243 175 D C 1.334 177.558 176.300 -0.126 0.000 1.121 175 D CA -0.017 53.989 54.000 0.010 0.000 0.898 175 D CB 0.998 41.806 40.800 0.014 0.000 1.202 175 D HN 0.307 nan 8.370 nan 0.000 0.428 176 E N 3.546 123.611 120.200 -0.224 0.000 2.409 176 E HA -0.150 4.199 4.350 -0.001 0.000 0.198 176 E C 1.398 177.739 176.600 -0.432 0.000 1.024 176 E CA 0.760 56.929 56.400 -0.386 0.000 0.861 176 E CB -0.578 28.645 29.700 -0.795 0.000 0.788 176 E HN 0.728 nan 8.360 nan 0.000 0.521 177 I N -1.497 118.875 120.570 -0.330 0.000 3.861 177 I HA 0.269 4.438 4.170 -0.001 0.000 0.329 177 I C 0.325 176.161 176.117 -0.468 0.000 1.321 177 I CA -0.688 60.419 61.300 -0.322 0.000 1.126 177 I CB 0.038 38.022 38.000 -0.025 0.000 1.018 177 I HN -0.136 nan 8.210 nan 0.000 0.407 178 L N 2.220 123.137 121.223 -0.509 0.000 2.261 178 L HA 0.522 4.862 4.340 -0.001 0.000 0.289 178 L C -0.905 175.658 176.870 -0.512 0.000 1.059 178 L CA 0.123 54.760 54.840 -0.339 0.000 0.816 178 L CB 0.189 42.135 42.059 -0.188 0.000 1.191 178 L HN -0.028 nan 8.230 nan 0.000 0.431 179 F N 1.883 121.838 119.950 0.008 0.000 2.497 179 F HA 0.412 4.938 4.527 -0.001 0.000 0.331 179 F C 0.623 176.438 175.800 0.026 0.000 1.060 179 F CA -0.799 57.210 58.000 0.015 0.000 0.989 179 F CB 0.661 39.663 39.000 0.004 0.000 1.245 179 F HN 0.396 nan 8.300 nan 0.000 0.486 180 D N 0.827 121.365 120.400 0.231 0.000 2.443 180 D HA 0.320 4.959 4.640 -0.001 0.000 0.239 180 D C -0.121 176.255 176.300 0.126 0.000 1.136 180 D CA 0.401 54.494 54.000 0.155 0.000 0.879 180 D CB 0.902 41.786 40.800 0.140 0.000 1.195 180 D HN 0.547 nan 8.370 nan 0.000 0.443 181 S N -0.307 115.449 115.700 0.093 0.000 2.671 181 S HA 0.249 4.718 4.470 -0.001 0.000 0.277 181 S C 0.776 175.408 174.600 0.052 0.000 1.165 181 S CA -0.872 57.368 58.200 0.066 0.000 0.822 181 S CB 2.051 65.286 63.200 0.057 0.000 1.150 181 S HN 0.448 nan 8.310 nan 0.000 0.479 182 E N -0.047 120.176 120.200 0.038 0.000 2.110 182 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 182 E C 1.555 178.172 176.600 0.028 0.000 0.988 182 E CA 1.136 57.554 56.400 0.031 0.000 0.804 182 E CB -0.288 29.426 29.700 0.022 0.000 0.745 182 E HN 0.643 nan 8.360 nan 0.000 0.458 183 L N 0.125 121.362 121.223 0.023 0.000 2.056 183 L HA -0.066 4.274 4.340 -0.001 0.000 0.207 183 L C 0.994 177.876 176.870 0.020 0.000 1.078 183 L CA 0.724 55.574 54.840 0.017 0.000 0.749 183 L CB 0.064 42.127 42.059 0.008 0.000 0.901 183 L HN 0.166 nan 8.230 nan 0.000 0.433 184 L N 0.369 121.608 121.223 0.027 0.000 2.581 184 L HA 0.348 4.687 4.340 -0.001 0.000 0.241 184 L C -2.415 174.490 176.870 0.058 0.000 1.265 184 L CA -1.757 53.099 54.840 0.027 0.000 0.954 184 L CB 0.700 42.762 42.059 0.006 0.000 1.269 184 L HN -0.152 nan 8.230 nan 0.000 0.475 185 P HA 0.018 nan 4.420 nan 0.000 0.271 185 P C 0.661 178.041 177.300 0.134 0.000 1.218 185 P CA -0.276 62.884 63.100 0.100 0.000 0.780 185 P CB 0.709 32.454 31.700 0.076 0.000 0.901 186 F N 3.160 123.118 119.950 0.014 0.000 2.043 186 F HA -0.260 4.267 4.527 -0.001 0.000 0.297 186 F C 1.817 177.618 175.800 0.002 0.000 1.118 186 F CA 1.966 59.967 58.000 0.002 0.000 1.202 186 F CB -0.569 38.432 39.000 0.001 0.000 0.965 186 F HN 0.406 nan 8.300 nan 0.000 0.482 187 E N -0.316 119.860 120.200 -0.040 0.000 2.153 187 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 187 E C 2.093 178.621 176.600 -0.120 0.000 0.988 187 E CA 1.061 57.364 56.400 -0.162 0.000 0.811 187 E CB -0.110 29.584 29.700 -0.011 0.000 0.746 187 E HN 0.349 nan 8.360 nan 0.000 0.466 188 K N 0.712 121.085 120.400 -0.044 0.000 2.103 188 K HA -0.030 4.290 4.320 -0.001 0.000 0.204 188 K C 2.035 178.624 176.600 -0.018 0.000 1.052 188 K CA 0.630 56.905 56.287 -0.020 0.000 0.945 188 K CB -0.162 32.343 32.500 0.007 0.000 0.722 188 K HN 0.108 nan 8.250 nan 0.000 0.443 189 R N 0.582 121.069 120.500 -0.022 0.000 2.081 189 R HA -0.013 4.327 4.340 -0.001 0.000 0.235 189 R C 2.466 178.834 176.300 0.113 0.000 1.131 189 R CA 1.091 57.224 56.100 0.055 0.000 0.960 189 R CB -0.433 29.908 30.300 0.069 0.000 0.856 189 R HN 0.171 nan 8.270 nan 0.000 0.436 190 I N 0.513 121.027 120.570 -0.093 0.000 2.142 190 I HA -0.274 3.896 4.170 -0.001 0.000 0.240 190 I C 2.727 178.832 176.117 -0.020 0.000 1.078 190 I CA 1.892 63.126 61.300 -0.111 0.000 1.343 190 I CB -0.686 37.109 38.000 -0.341 0.000 1.046 190 I HN 0.320 nan 8.210 nan 0.000 0.405 191 T N -1.690 112.836 114.554 -0.047 0.000 2.777 191 T HA -0.132 4.218 4.350 -0.001 0.000 0.266 191 T C 1.661 176.363 174.700 0.002 0.000 1.040 191 T CA 1.100 63.187 62.100 -0.021 0.000 1.141 191 T CB -0.442 68.410 68.868 -0.026 0.000 0.868 191 T HN 0.364 nan 8.240 nan 0.000 0.444 192 E N 1.110 121.315 120.200 0.007 0.000 2.152 192 E HA 0.029 4.378 4.350 -0.001 0.000 0.192 192 E C 2.554 179.159 176.600 0.007 0.000 0.983 192 E CA 0.813 57.217 56.400 0.007 0.000 0.818 192 E CB -0.486 29.217 29.700 0.005 0.000 0.758 192 E HN 0.703 nan 8.360 nan 0.000 0.467 193 G N 1.958 110.777 108.800 0.031 0.000 2.408 193 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 193 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 193 G C 1.547 176.460 174.900 0.020 0.000 1.150 193 G CA 0.668 45.764 45.100 -0.007 0.000 0.776 193 G HN 0.117 nan 8.290 nan 0.000 0.542 194 K N 0.529 120.964 120.400 0.057 0.000 2.026 194 K HA 0.005 4.324 4.320 -0.001 0.000 0.208 194 K C 2.806 179.413 176.600 0.012 0.000 1.048 194 K CA 1.274 57.581 56.287 0.033 0.000 0.929 194 K CB -0.310 32.200 32.500 0.016 0.000 0.713 194 K HN 0.199 nan 8.250 nan 0.000 0.439 195 A N 1.058 123.884 122.820 0.010 0.000 1.902 195 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 195 A C 2.330 179.919 177.584 0.009 0.000 1.181 195 A CA 1.949 53.992 52.037 0.010 0.000 0.623 195 A CB -0.835 18.169 19.000 0.007 0.000 0.818 195 A HN 0.495 nan 8.150 nan 0.000 0.443 196 A N -0.306 122.512 122.820 -0.003 0.000 1.902 196 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 196 A C 2.141 179.719 177.584 -0.010 0.000 1.181 196 A CA 1.546 53.575 52.037 -0.013 0.000 0.623 196 A CB -0.611 18.369 19.000 -0.032 0.000 0.818 196 A HN 0.477 nan 8.150 nan 0.000 0.443 197 L N -1.210 120.005 121.223 -0.014 0.000 2.201 197 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 197 L C 2.737 179.635 176.870 0.046 0.000 1.105 197 L CA 1.350 56.188 54.840 -0.004 0.000 0.775 197 L CB -0.321 41.727 42.059 -0.018 0.000 0.913 197 L HN 0.444 nan 8.230 nan 0.000 0.440 198 Q N 0.496 120.326 119.800 0.049 0.000 2.172 198 Q HA -0.173 4.166 4.340 -0.001 0.000 0.200 198 Q C 1.956 178.034 176.000 0.130 0.000 0.964 198 Q CA 1.401 57.269 55.803 0.107 0.000 0.855 198 Q CB 0.094 28.874 28.738 0.069 0.000 0.918 198 Q HN 0.455 nan 8.270 nan 0.000 0.444 199 E N -0.969 119.269 120.200 0.063 0.000 2.072 199 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 199 E C 1.903 178.521 176.600 0.030 0.000 0.985 199 E CA 1.394 57.815 56.400 0.036 0.000 0.801 199 E CB 0.040 29.748 29.700 0.013 0.000 0.750 199 E HN 0.182 nan 8.360 nan 0.000 0.452 200 V N 0.942 120.878 119.914 0.036 0.000 2.515 200 V HA -0.246 3.874 4.120 -0.001 0.000 0.250 200 V C 2.066 178.193 176.094 0.055 0.000 1.058 200 V CA 1.601 63.915 62.300 0.024 0.000 1.064 200 V CB -0.556 31.273 31.823 0.009 0.000 0.675 200 V HN 0.306 nan 8.190 nan 0.000 0.461 201 Y N 1.734 122.018 120.300 -0.026 0.000 2.181 201 Y HA -0.205 4.345 4.550 -0.001 0.000 0.288 201 Y C 2.378 178.269 175.900 -0.016 0.000 1.146 201 Y CA 1.877 59.964 58.100 -0.021 0.000 1.164 201 Y CB -0.240 38.209 38.460 -0.017 0.000 0.982 201 Y HN 0.389 nan 8.280 nan 0.000 0.515 202 E N -0.387 119.715 120.200 -0.164 0.000 2.338 202 E HA -0.195 4.155 4.350 -0.001 0.000 0.197 202 E C 1.847 178.336 176.600 -0.186 0.000 1.007 202 E CA 1.101 57.354 56.400 -0.245 0.000 0.849 202 E CB -0.065 29.584 29.700 -0.086 0.000 0.774 202 E HN 0.696 nan 8.360 nan 0.000 0.506 203 Q N -0.625 119.103 119.800 -0.121 0.000 2.391 203 Q HA -0.006 4.334 4.340 -0.001 0.000 0.211 203 Q C 1.809 177.756 176.000 -0.088 0.000 0.908 203 Q CA 1.399 57.151 55.803 -0.086 0.000 0.920 203 Q CB 0.704 29.412 28.738 -0.049 0.000 1.056 203 Q HN 0.260 nan 8.270 nan 0.000 0.523 204 T N -5.624 108.870 114.554 -0.099 0.000 2.969 204 T HA 0.339 4.688 4.350 -0.001 0.000 0.258 204 T C 1.372 176.020 174.700 -0.087 0.000 0.962 204 T CA 0.496 62.554 62.100 -0.070 0.000 0.903 204 T CB 0.986 69.838 68.868 -0.026 0.000 1.177 204 T HN 0.287 nan 8.240 nan 0.000 0.511 205 G N 1.632 110.316 108.800 -0.192 0.000 2.176 205 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.253 205 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.253 205 G C -0.109 174.866 174.900 0.125 0.000 0.979 205 G CA 0.377 45.354 45.100 -0.204 0.000 0.641 205 G HN 0.869 nan 8.290 nan 0.000 0.530 206 K N -0.064 120.451 120.400 0.191 0.000 2.292 206 K HA 0.670 4.989 4.320 -0.001 0.000 0.257 206 K C -0.348 176.425 176.600 0.288 0.000 0.940 206 K CA -1.179 55.244 56.287 0.227 0.000 0.811 206 K CB 0.869 33.421 32.500 0.087 0.000 1.120 206 K HN 0.070 nan 8.250 nan 0.000 0.428 207 R N 2.678 123.266 120.500 0.148 0.000 2.239 207 R HA 0.231 4.571 4.340 -0.001 0.000 0.332 207 R C -1.163 175.116 176.300 -0.036 0.000 0.988 207 R CA -0.139 55.948 56.100 -0.021 0.000 0.859 207 R CB 0.827 30.931 30.300 -0.326 0.000 1.148 207 R HN 0.562 nan 8.270 nan 0.000 0.482 208 T N 5.354 119.894 114.554 -0.022 0.000 2.907 208 T HA 0.289 4.638 4.350 -0.001 0.000 0.298 208 T C 0.206 174.883 174.700 -0.039 0.000 1.017 208 T CA -0.261 61.813 62.100 -0.044 0.000 1.118 208 T CB 0.416 69.247 68.868 -0.062 0.000 0.948 208 T HN 0.361 nan 8.240 nan 0.000 0.531 209 L N 2.805 124.007 121.223 -0.036 0.000 2.357 209 L HA 0.441 4.781 4.340 -0.001 0.000 0.273 209 L C -0.592 176.316 176.870 0.062 0.000 1.080 209 L CA -1.036 53.801 54.840 -0.005 0.000 0.803 209 L CB 0.553 42.598 42.059 -0.024 0.000 1.174 209 L HN 0.570 nan 8.230 nan 0.000 0.443 210 Y N 1.962 122.219 120.300 -0.071 0.000 2.328 210 Y HA 0.581 5.131 4.550 -0.001 0.000 0.333 210 Y C -0.309 175.562 175.900 -0.048 0.000 0.958 210 Y CA -1.786 56.287 58.100 -0.045 0.000 1.167 210 Y CB 1.457 39.913 38.460 -0.007 0.000 1.151 210 Y HN 0.542 nan 8.280 nan 0.000 0.470 211 A N 6.855 129.660 122.820 -0.025 0.000 2.294 211 A HA 0.556 4.876 4.320 -0.001 0.000 0.316 211 A C -1.067 176.299 177.584 -0.362 0.000 1.359 211 A CA -0.548 51.365 52.037 -0.206 0.000 0.956 211 A CB 0.057 18.951 19.000 -0.176 0.000 1.155 211 A HN 0.665 nan 8.150 nan 0.000 0.544 212 V N 3.793 123.391 119.914 -0.526 0.000 2.509 212 V HA 0.232 4.351 4.120 -0.001 0.000 0.284 212 V C 0.196 176.248 176.094 -0.070 0.000 1.047 212 V CA -0.819 61.198 62.300 -0.471 0.000 0.952 212 V CB 1.208 32.670 31.823 -0.602 0.000 0.988 212 V HN 0.912 nan 8.190 nan 0.000 0.469 213 N N 4.818 123.516 118.700 -0.005 0.000 2.452 213 N HA 0.110 4.849 4.740 -0.001 0.000 0.266 213 N C -0.756 174.819 175.510 0.107 0.000 1.209 213 N CA 0.081 53.148 53.050 0.028 0.000 0.929 213 N CB 0.674 39.117 38.487 -0.074 0.000 1.063 213 N HN 0.639 nan 8.380 nan 0.000 0.472 214 L N 4.035 125.300 121.223 0.070 0.000 2.272 214 L HA 0.446 4.786 4.340 -0.001 0.000 0.284 214 L C 0.195 177.071 176.870 0.011 0.000 1.045 214 L CA -0.087 54.704 54.840 -0.082 0.000 0.842 214 L CB 0.336 42.343 42.059 -0.086 0.000 1.224 214 L HN 0.710 nan 8.230 nan 0.000 0.430 215 T N 1.268 115.794 114.554 -0.047 0.000 2.724 215 T HA 1.006 5.356 4.350 -0.001 0.000 0.274 215 T C 0.220 174.994 174.700 0.123 0.000 0.984 215 T CA -0.393 61.816 62.100 0.182 0.000 1.024 215 T CB 1.323 70.399 68.868 0.347 0.000 1.320 215 T HN 1.333 nan 8.240 nan 0.000 0.555 216 G N 0.289 109.229 108.800 0.235 0.000 2.549 216 G HA2 0.011 3.970 3.960 -0.001 0.000 0.404 216 G HA3 0.011 3.970 3.960 -0.001 0.000 0.404 216 G C -1.026 173.995 174.900 0.202 0.000 1.292 216 G CA -0.752 44.429 45.100 0.134 0.000 0.935 216 G HN 0.870 nan 8.290 nan 0.000 0.512 217 K N 0.075 120.551 120.400 0.127 0.000 2.355 217 K HA 0.359 4.679 4.320 -0.001 0.000 0.270 217 K C 1.842 178.547 176.600 0.175 0.000 1.003 217 K CA 0.379 56.760 56.287 0.157 0.000 0.957 217 K CB 0.455 33.025 32.500 0.117 0.000 0.939 217 K HN 0.547 nan 8.250 nan 0.000 0.482 218 T N 2.040 116.716 114.554 0.203 0.000 2.624 218 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 218 T C 1.234 175.810 174.700 -0.206 0.000 1.041 218 T CA 1.663 63.768 62.100 0.009 0.000 1.159 218 T CB -0.272 68.535 68.868 -0.102 0.000 0.863 218 T HN 0.435 nan 8.240 nan 0.000 0.434 219 F N 0.929 120.906 119.950 0.045 0.000 2.805 219 F HA 0.326 4.853 4.527 -0.001 0.000 0.301 219 F C 1.999 177.794 175.800 -0.009 0.000 1.196 219 F CA 0.038 58.045 58.000 0.011 0.000 1.439 219 F CB -0.271 38.738 39.000 0.014 0.000 1.117 219 F HN 0.168 nan 8.300 nan 0.000 0.581 220 A N -1.053 121.811 122.820 0.074 0.000 2.382 220 A HA 0.265 4.584 4.320 -0.001 0.000 0.228 220 A C 1.890 179.438 177.584 -0.060 0.000 1.217 220 A CA -0.073 51.979 52.037 0.025 0.000 0.923 220 A CB -0.320 18.696 19.000 0.027 0.000 0.979 220 A HN 0.330 nan 8.150 nan 0.000 0.515 221 L N -0.221 120.933 121.223 -0.115 0.000 2.017 221 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 221 L C 2.426 179.178 176.870 -0.197 0.000 1.073 221 L CA 1.653 56.365 54.840 -0.213 0.000 0.745 221 L CB -0.383 41.484 42.059 -0.320 0.000 0.894 221 L HN 0.307 nan 8.230 nan 0.000 0.432 222 K N -0.231 120.075 120.400 -0.155 0.000 2.057 222 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 222 K C 1.764 178.325 176.600 -0.065 0.000 1.049 222 K CA 1.473 57.689 56.287 -0.117 0.000 0.931 222 K CB -0.162 32.284 32.500 -0.090 0.000 0.714 222 K HN 0.235 nan 8.250 nan 0.000 0.440 223 D N 0.986 121.362 120.400 -0.040 0.000 2.104 223 D HA -0.188 4.452 4.640 -0.001 0.000 0.194 223 D C 1.798 178.100 176.300 0.004 0.000 0.994 223 D CA 1.435 55.429 54.000 -0.009 0.000 0.830 223 D CB -0.098 40.705 40.800 0.005 0.000 0.959 223 D HN 0.363 nan 8.370 nan 0.000 0.452 224 K N 0.614 121.000 120.400 -0.023 0.000 2.217 224 K HA 0.147 4.466 4.320 -0.001 0.000 0.202 224 K C 2.057 178.731 176.600 0.123 0.000 1.051 224 K CA 1.062 57.369 56.287 0.034 0.000 0.952 224 K CB -0.023 32.386 32.500 -0.152 0.000 0.736 224 K HN 0.002 nan 8.250 nan 0.000 0.453 225 A N 2.445 125.266 122.820 0.002 0.000 1.930 225 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 225 A C 2.181 179.792 177.584 0.044 0.000 1.175 225 A CA 1.574 53.627 52.037 0.025 0.000 0.627 225 A CB -0.423 18.523 19.000 -0.090 0.000 0.815 225 A HN 0.428 nan 8.150 nan 0.000 0.443 226 K N -0.877 119.535 120.400 0.020 0.000 2.057 226 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 226 K C 2.189 178.812 176.600 0.037 0.000 1.050 226 K CA 0.909 57.207 56.287 0.019 0.000 0.935 226 K CB -0.125 32.379 32.500 0.007 0.000 0.715 226 K HN 0.195 nan 8.250 nan 0.000 0.439 227 R N 0.356 120.895 120.500 0.065 0.000 2.096 227 R HA -0.059 4.280 4.340 -0.001 0.000 0.235 227 R C 2.265 178.595 176.300 0.050 0.000 1.127 227 R CA 1.304 57.444 56.100 0.067 0.000 0.968 227 R CB -0.744 29.618 30.300 0.104 0.000 0.861 227 R HN 0.333 nan 8.270 nan 0.000 0.440 228 A N 1.059 123.935 122.820 0.093 0.000 1.908 228 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 228 A C 2.384 179.956 177.584 -0.021 0.000 1.181 228 A CA 1.933 53.971 52.037 0.001 0.000 0.627 228 A CB -0.568 18.490 19.000 0.097 0.000 0.818 228 A HN 0.354 nan 8.150 nan 0.000 0.445 229 A N -0.137 122.689 122.820 0.010 0.000 1.877 229 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 229 A C 1.910 179.491 177.584 -0.004 0.000 1.186 229 A CA 1.649 53.689 52.037 0.004 0.000 0.620 229 A CB -0.584 18.426 19.000 0.018 0.000 0.822 229 A HN 0.640 nan 8.150 nan 0.000 0.443 230 E N -0.154 120.046 120.200 0.000 0.000 2.110 230 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 230 E C 1.644 178.236 176.600 -0.013 0.000 0.988 230 E CA 1.136 57.534 56.400 -0.002 0.000 0.804 230 E CB -0.289 29.413 29.700 0.004 0.000 0.745 230 E HN 0.620 nan 8.360 nan 0.000 0.458 231 L N -0.384 120.823 121.223 -0.026 0.000 2.552 231 L HA 0.094 4.433 4.340 -0.001 0.000 0.227 231 L C 1.223 178.065 176.870 -0.047 0.000 1.146 231 L CA 0.397 55.212 54.840 -0.042 0.000 0.858 231 L CB -0.064 41.953 42.059 -0.069 0.000 0.969 231 L HN 0.305 nan 8.230 nan 0.000 0.451 232 G N 0.229 109.003 108.800 -0.043 0.000 2.142 232 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.225 232 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.225 232 G C 0.341 175.206 174.900 -0.057 0.000 1.015 232 G CA -0.088 44.986 45.100 -0.044 0.000 0.716 232 G HN 0.477 nan 8.290 nan 0.000 0.508 233 A N -0.306 122.466 122.820 -0.079 0.000 2.483 233 A HA 0.532 4.851 4.320 -0.001 0.000 0.238 233 A C 1.257 178.793 177.584 -0.079 0.000 1.070 233 A CA 0.871 52.844 52.037 -0.106 0.000 0.770 233 A CB 0.367 19.274 19.000 -0.154 0.000 1.008 233 A HN 0.254 nan 8.150 nan 0.000 0.497 234 D N -0.003 120.350 120.400 -0.078 0.000 2.197 234 D HA 0.139 4.779 4.640 -0.001 0.000 0.212 234 D C 0.134 176.395 176.300 -0.064 0.000 0.963 234 D CA 1.433 55.393 54.000 -0.067 0.000 0.864 234 D CB 0.209 40.986 40.800 -0.037 0.000 1.009 234 D HN 0.263 nan 8.370 nan 0.000 0.479 235 V N 0.877 120.746 119.914 -0.075 0.000 3.012 235 V HA 0.317 4.436 4.120 -0.001 0.000 0.307 235 V C -0.800 175.254 176.094 -0.067 0.000 1.166 235 V CA -0.798 61.479 62.300 -0.038 0.000 0.974 235 V CB 3.009 34.794 31.823 -0.062 0.000 1.040 235 V HN -0.061 nan 8.190 nan 0.000 0.428 236 L N 4.031 125.252 121.223 -0.004 0.000 2.287 236 L HA 0.549 4.889 4.340 -0.001 0.000 0.287 236 L C -0.637 176.251 176.870 0.030 0.000 1.022 236 L CA -0.596 54.247 54.840 0.006 0.000 0.814 236 L CB 1.551 43.616 42.059 0.010 0.000 1.217 236 L HN 0.484 nan 8.230 nan 0.000 0.420 237 L N 4.115 125.352 121.223 0.023 0.000 2.305 237 L HA 0.504 4.843 4.340 -0.001 0.000 0.281 237 L C -1.137 175.839 176.870 0.176 0.000 1.085 237 L CA 0.385 55.261 54.840 0.059 0.000 0.813 237 L CB 0.848 42.912 42.059 0.008 0.000 1.157 237 L HN 0.380 nan 8.230 nan 0.000 0.436 238 F N 4.261 124.205 119.950 -0.009 0.000 2.562 238 F HA 0.443 4.970 4.527 -0.000 0.000 0.319 238 F C -0.115 175.712 175.800 0.046 0.000 1.154 238 F CA -0.991 56.991 58.000 -0.029 0.000 0.931 238 F CB 1.326 40.268 39.000 -0.096 0.000 1.198 238 F HN 0.602 nan 8.300 nan 0.000 0.444 239 N N 5.186 123.672 118.700 -0.356 0.000 3.254 239 N HA 0.064 4.804 4.740 -0.001 0.000 0.308 239 N C 1.415 176.612 175.510 -0.522 0.000 1.281 239 N CA -0.160 52.752 53.050 -0.230 0.000 1.212 239 N CB 0.720 39.194 38.487 -0.022 0.000 1.478 239 N HN 0.564 nan 8.380 nan 0.000 0.548 240 V N 0.602 120.025 119.914 -0.817 0.000 2.370 240 V HA -0.314 3.805 4.120 -0.001 0.000 0.252 240 V C 1.197 177.026 176.094 -0.442 0.000 1.068 240 V CA 1.984 63.808 62.300 -0.793 0.000 1.061 240 V CB -0.454 31.014 31.823 -0.592 0.000 0.656 240 V HN 0.485 nan 8.190 nan 0.000 0.455 241 F N 0.621 120.538 119.950 -0.056 0.000 2.546 241 F HA 0.142 4.669 4.527 -0.000 0.000 0.298 241 F C 2.206 178.076 175.800 0.116 0.000 1.120 241 F CA 1.004 59.065 58.000 0.102 0.000 1.456 241 F CB -0.791 38.354 39.000 0.241 0.000 1.088 241 F HN 0.260 nan 8.300 nan 0.000 0.572 242 A N -2.006 120.843 122.820 0.050 0.000 2.218 242 A HA 0.115 4.435 4.320 -0.001 0.000 0.209 242 A C 0.943 178.279 177.584 -0.413 0.000 1.168 242 A CA 0.542 52.419 52.037 -0.268 0.000 0.804 242 A CB -0.431 18.360 19.000 -0.349 0.000 0.834 242 A HN 0.349 nan 8.150 nan 0.000 0.482 243 Y N -0.726 119.499 120.300 -0.125 0.000 2.756 243 Y HA 0.556 5.106 4.550 -0.000 0.000 0.131 243 Y C 1.311 177.210 175.900 -0.001 0.000 0.878 243 Y CA 0.167 58.232 58.100 -0.059 0.000 1.735 243 Y CB -0.036 38.412 38.460 -0.021 0.000 1.144 243 Y HN 0.204 nan 8.280 nan 0.000 0.356 244 G N -1.019 107.902 108.800 0.203 0.000 2.703 244 G HA2 0.358 4.318 3.960 -0.001 0.000 0.294 244 G HA3 0.358 4.318 3.960 -0.001 0.000 0.294 244 G C -0.446 174.486 174.900 0.054 0.000 1.451 244 G CA -0.706 44.471 45.100 0.128 0.000 0.869 244 G HN 0.356 nan 8.290 nan 0.000 0.516 245 L N 0.083 121.303 121.223 -0.005 0.000 2.127 245 L HA -0.087 4.253 4.340 -0.001 0.000 0.211 245 L C 2.432 179.301 176.870 -0.002 0.000 1.089 245 L CA 1.861 56.656 54.840 -0.075 0.000 0.757 245 L CB -0.058 41.947 42.059 -0.089 0.000 0.899 245 L HN 0.739 nan 8.230 nan 0.000 0.434 246 D N -0.411 120.016 120.400 0.046 0.000 2.218 246 D HA -0.151 4.488 4.640 -0.001 0.000 0.204 246 D C 2.058 178.361 176.300 0.006 0.000 0.976 246 D CA 0.773 54.800 54.000 0.045 0.000 0.853 246 D CB 0.246 41.087 40.800 0.068 0.000 0.939 246 D HN 0.042 nan 8.370 nan 0.000 0.481 247 V N 0.407 120.334 119.914 0.022 0.000 2.427 247 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 247 V C 2.382 178.424 176.094 -0.088 0.000 1.051 247 V CA 1.300 63.582 62.300 -0.030 0.000 1.048 247 V CB -0.536 31.325 31.823 0.063 0.000 0.666 247 V HN 0.310 nan 8.190 nan 0.000 0.456 248 L N 0.332 121.573 121.223 0.030 0.000 2.046 248 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 248 L C 2.447 179.258 176.870 -0.100 0.000 1.077 248 L CA 2.291 57.113 54.840 -0.029 0.000 0.747 248 L CB -0.900 41.188 42.059 0.049 0.000 0.896 248 L HN 0.391 nan 8.230 nan 0.000 0.432 249 Q N -0.741 119.021 119.800 -0.065 0.000 2.124 249 Q HA -0.213 4.126 4.340 -0.001 0.000 0.202 249 Q C 2.121 178.066 176.000 -0.092 0.000 0.977 249 Q CA 1.827 57.592 55.803 -0.064 0.000 0.850 249 Q CB -0.213 28.520 28.738 -0.008 0.000 0.901 249 Q HN 0.688 nan 8.270 nan 0.000 0.429 250 A N 0.578 123.335 122.820 -0.104 0.000 1.933 250 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 250 A C 2.013 179.506 177.584 -0.150 0.000 1.175 250 A CA 1.119 53.084 52.037 -0.120 0.000 0.628 250 A CB -0.616 18.307 19.000 -0.128 0.000 0.814 250 A HN 0.443 nan 8.150 nan 0.000 0.444 251 L N -1.019 120.080 121.223 -0.207 0.000 2.093 251 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 251 L C 2.739 179.516 176.870 -0.154 0.000 1.085 251 L CA 1.658 56.361 54.840 -0.229 0.000 0.755 251 L CB -0.425 41.409 42.059 -0.374 0.000 0.904 251 L HN 0.443 nan 8.230 nan 0.000 0.435 252 R N 1.016 121.435 120.500 -0.136 0.000 2.092 252 R HA -0.155 4.184 4.340 -0.001 0.000 0.231 252 R C 1.805 178.039 176.300 -0.109 0.000 1.119 252 R CA 1.574 57.608 56.100 -0.110 0.000 0.970 252 R CB -0.340 29.898 30.300 -0.104 0.000 0.864 252 R HN 0.385 nan 8.270 nan 0.000 0.440 253 E N 0.337 120.473 120.200 -0.106 0.000 2.481 253 E HA -0.045 4.304 4.350 -0.001 0.000 0.195 253 E C -0.350 176.198 176.600 -0.087 0.000 1.047 253 E CA 0.085 56.425 56.400 -0.099 0.000 0.867 253 E CB 0.009 29.648 29.700 -0.101 0.000 0.858 253 E HN 0.299 nan 8.360 nan 0.000 0.513 254 D N 1.584 121.933 120.400 -0.085 0.000 2.352 254 D HA -0.025 4.614 4.640 -0.001 0.000 0.245 254 D C 0.753 177.020 176.300 -0.055 0.000 1.224 254 D CA 0.068 54.027 54.000 -0.068 0.000 0.879 254 D CB 0.826 41.583 40.800 -0.072 0.000 1.057 254 D HN -0.096 nan 8.370 nan 0.000 0.491 255 E N 2.680 122.851 120.200 -0.048 0.000 2.333 255 E HA -0.147 4.202 4.350 -0.001 0.000 0.198 255 E C 0.924 177.512 176.600 -0.020 0.000 1.007 255 E CA 0.675 57.053 56.400 -0.037 0.000 0.845 255 E CB 0.248 29.927 29.700 -0.035 0.000 0.766 255 E HN 0.689 nan 8.360 nan 0.000 0.507 256 E N -0.266 119.922 120.200 -0.020 0.000 2.502 256 E HA 0.047 4.396 4.350 -0.001 0.000 0.194 256 E C 1.598 178.196 176.600 -0.003 0.000 1.062 256 E CA 0.028 56.423 56.400 -0.009 0.000 0.867 256 E CB 0.314 30.007 29.700 -0.011 0.000 0.888 256 E HN 0.274 nan 8.360 nan 0.000 0.510 257 I N 0.292 120.857 120.570 -0.008 0.000 3.649 257 I HA 0.087 4.256 4.170 -0.001 0.000 0.234 257 I C 0.998 177.139 176.117 0.039 0.000 1.053 257 I CA 0.261 61.562 61.300 0.002 0.000 1.538 257 I CB -0.094 37.888 38.000 -0.029 0.000 1.445 257 I HN -0.083 nan 8.210 nan 0.000 0.464 258 A N 1.508 124.357 122.820 0.048 0.000 2.687 258 A HA -0.123 4.197 4.320 -0.001 0.000 0.299 258 A C -0.217 177.543 177.584 0.294 0.000 1.497 258 A CA 0.309 52.423 52.037 0.130 0.000 0.751 258 A CB -2.209 16.852 19.000 0.102 0.000 1.048 258 A HN 0.188 nan 8.150 nan 0.000 0.464 259 V N 0.076 120.140 119.914 0.249 0.000 2.680 259 V HA 0.521 4.641 4.120 -0.001 0.000 0.309 259 V C -2.107 174.162 176.094 0.291 0.000 1.052 259 V CA -1.860 60.557 62.300 0.194 0.000 0.908 259 V CB 2.009 33.873 31.823 0.070 0.000 1.001 259 V HN 0.340 nan 8.190 nan 0.000 0.431 260 P HA 0.186 nan 4.420 nan 0.000 0.265 260 P C -0.800 176.661 177.300 0.268 0.000 1.187 260 P CA 0.390 63.673 63.100 0.306 0.000 0.766 260 P CB 0.376 32.176 31.700 0.167 0.000 0.820 261 I N 2.961 123.707 120.570 0.293 0.000 2.406 261 I HA 0.407 4.577 4.170 -0.001 0.000 0.290 261 I C 0.169 176.496 176.117 0.349 0.000 0.999 261 I CA -0.626 60.806 61.300 0.220 0.000 1.124 261 I CB 1.508 39.573 38.000 0.108 0.000 1.289 261 I HN 0.236 nan 8.210 nan 0.000 0.441 262 M N 6.433 126.183 119.600 0.251 0.000 2.066 262 M HA 0.621 5.101 4.480 -0.001 0.000 0.340 262 M C -0.653 175.748 176.300 0.169 0.000 1.053 262 M CA -0.448 54.974 55.300 0.203 0.000 0.983 262 M CB 1.135 33.630 32.600 -0.174 0.000 1.520 262 M HN 0.702 nan 8.290 nan 0.000 0.428 263 A N 4.506 127.436 122.820 0.183 0.000 2.320 263 A HA 0.333 4.653 4.320 -0.001 0.000 0.287 263 A C -0.877 176.788 177.584 0.134 0.000 1.181 263 A CA -0.399 51.718 52.037 0.134 0.000 0.831 263 A CB 0.193 19.234 19.000 0.067 0.000 1.102 263 A HN 0.906 nan 8.150 nan 0.000 0.513 264 H N 4.501 123.609 119.070 0.063 0.000 2.467 264 H HA 0.342 4.897 4.556 -0.001 0.000 0.331 264 H C -1.928 173.532 175.328 0.220 0.000 1.120 264 H CA -1.766 54.340 56.048 0.097 0.000 1.270 264 H CB 2.157 31.951 29.762 0.054 0.000 1.466 264 H HN 0.431 nan 8.280 nan 0.000 0.504 265 P HA 0.028 nan 4.420 nan 0.000 0.245 265 P C 0.030 177.518 177.300 0.312 0.000 1.212 265 P CA 0.015 63.239 63.100 0.206 0.000 0.774 265 P CB -0.028 31.675 31.700 0.005 0.000 0.999 266 A N 0.185 123.362 122.820 0.596 0.000 2.580 266 A HA 0.034 4.354 4.320 -0.001 0.000 0.244 266 A C 0.600 178.456 177.584 0.453 0.000 1.045 266 A CA 0.308 52.620 52.037 0.459 0.000 0.761 266 A CB -1.447 17.764 19.000 0.352 0.000 0.962 266 A HN 0.305 nan 8.150 nan 0.000 0.512 267 F N 1.313 121.347 119.950 0.140 0.000 2.590 267 F HA -0.345 4.181 4.527 -0.001 0.000 0.471 267 F C 1.926 177.743 175.800 0.028 0.000 0.551 267 F CA 2.120 60.184 58.000 0.107 0.000 1.228 267 F CB -1.732 37.362 39.000 0.158 0.000 1.862 267 F HN 0.878 nan 8.300 nan 0.000 0.271 268 S N -0.270 115.317 115.700 -0.188 0.000 2.447 268 S HA 0.040 4.510 4.470 -0.001 0.000 0.233 268 S C 2.148 176.589 174.600 -0.267 0.000 1.006 268 S CA 1.072 58.961 58.200 -0.518 0.000 0.957 268 S CB -0.903 61.684 63.200 -1.021 0.000 0.773 268 S HN 0.853 nan 8.310 nan 0.000 0.507 269 G N 0.702 109.374 108.800 -0.214 0.000 2.598 269 G HA2 0.256 4.215 3.960 -0.001 0.000 0.215 269 G HA3 0.256 4.215 3.960 -0.001 0.000 0.215 269 G C 1.344 176.105 174.900 -0.233 0.000 1.131 269 G CA 0.378 45.378 45.100 -0.167 0.000 0.785 269 G HN 0.744 nan 8.290 nan 0.000 0.539 270 A N -0.390 122.175 122.820 -0.425 0.000 2.167 270 A HA 0.384 4.704 4.320 -0.001 0.000 0.214 270 A C 2.111 179.507 177.584 -0.313 0.000 1.151 270 A CA 1.153 52.910 52.037 -0.467 0.000 0.735 270 A CB 0.144 18.533 19.000 -1.019 0.000 0.802 270 A HN 0.237 nan 8.150 nan 0.000 0.467 271 V N -1.054 118.684 119.914 -0.295 0.000 3.359 271 V HA -0.049 4.071 4.120 -0.001 0.000 0.245 271 V C 2.535 178.482 176.094 -0.245 0.000 1.247 271 V CA 1.746 63.870 62.300 -0.293 0.000 1.145 271 V CB 0.212 31.715 31.823 -0.532 0.000 0.906 271 V HN 0.721 nan 8.190 nan 0.000 0.464 272 T N -1.297 113.144 114.554 -0.188 0.000 3.044 272 T HA 0.058 4.408 4.350 -0.001 0.000 0.255 272 T C 0.265 174.909 174.700 -0.094 0.000 1.073 272 T CA 0.783 62.806 62.100 -0.128 0.000 1.125 272 T CB -0.958 67.869 68.868 -0.068 0.000 0.908 272 T HN 0.440 nan 8.240 nan 0.000 0.480 273 P HA 0.062 nan 4.420 nan 0.000 0.218 273 P C 0.953 178.197 177.300 -0.093 0.000 1.149 273 P CA 0.608 63.661 63.100 -0.078 0.000 0.817 273 P CB -0.156 31.505 31.700 -0.066 0.000 0.785 274 S N 0.015 115.676 115.700 -0.065 0.000 2.568 274 S HA -0.044 4.425 4.470 -0.001 0.000 0.282 274 S C 1.340 175.791 174.600 -0.248 0.000 1.338 274 S CA -0.262 57.885 58.200 -0.089 0.000 1.045 274 S CB 0.432 63.702 63.200 0.116 0.000 0.873 274 S HN 0.208 nan 8.310 nan 0.000 0.516 275 E N 2.242 122.113 120.200 -0.547 0.000 2.299 275 E HA -0.027 4.323 4.350 -0.001 0.000 0.193 275 E C 0.347 176.456 176.600 -0.819 0.000 0.998 275 E CA 0.901 56.838 56.400 -0.772 0.000 0.851 275 E CB 0.013 29.022 29.700 -1.152 0.000 0.795 275 E HN 0.829 nan 8.360 nan 0.000 0.492 276 F N -1.397 118.354 119.950 -0.332 0.000 2.727 276 F HA 0.285 4.812 4.527 -0.001 0.000 0.302 276 F C -0.047 175.395 175.800 -0.596 0.000 1.107 276 F CA -0.406 57.230 58.000 -0.607 0.000 1.277 276 F CB 0.272 38.657 39.000 -1.024 0.000 1.079 276 F HN -0.120 nan 8.300 nan 0.000 0.594 277 Y N -0.618 119.797 120.300 0.191 0.000 2.698 277 Y HA 0.728 5.277 4.550 -0.001 0.000 0.332 277 Y C 0.906 176.868 175.900 0.103 0.000 1.119 277 Y CA -1.560 56.652 58.100 0.186 0.000 1.109 277 Y CB 0.404 38.963 38.460 0.165 0.000 1.308 277 Y HN 0.068 nan 8.280 nan 0.000 0.499 278 G N -0.346 108.665 108.800 0.351 0.000 2.593 278 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.237 278 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.237 278 G C -1.735 173.119 174.900 -0.076 0.000 1.312 278 G CA -0.459 44.718 45.100 0.128 0.000 0.896 278 G HN 0.870 nan 8.290 nan 0.000 0.574 279 V N 0.577 120.329 119.914 -0.269 0.000 2.588 279 V HA 0.743 4.863 4.120 -0.001 0.000 0.304 279 V C 0.931 176.900 176.094 -0.209 0.000 1.042 279 V CA -0.126 61.961 62.300 -0.356 0.000 0.877 279 V CB 1.197 32.693 31.823 -0.545 0.000 0.996 279 V HN 2.198 nan 8.190 nan 0.000 0.425 280 A N 6.857 129.590 122.820 -0.145 0.000 2.498 280 A HA 0.396 4.716 4.320 -0.001 0.000 0.239 280 A C -0.800 176.783 177.584 -0.002 0.000 1.068 280 A CA -0.632 51.358 52.037 -0.079 0.000 0.766 280 A CB -0.024 18.926 19.000 -0.084 0.000 1.003 280 A HN 0.726 nan 8.150 nan 0.000 0.497 281 P HA -0.203 nan 4.420 nan 0.000 0.218 281 P C 1.511 178.829 177.300 0.030 0.000 1.148 281 P CA 1.939 65.064 63.100 0.041 0.000 0.822 281 P CB -0.129 31.563 31.700 -0.014 0.000 0.784 282 S N -0.455 115.236 115.700 -0.016 0.000 2.400 282 S HA -0.157 4.313 4.470 -0.001 0.000 0.232 282 S C 1.997 176.613 174.600 0.027 0.000 1.025 282 S CA 1.168 59.351 58.200 -0.028 0.000 0.993 282 S CB -1.516 61.657 63.200 -0.044 0.000 0.808 282 S HN 0.075 nan 8.310 nan 0.000 0.478 283 L N 0.276 121.537 121.223 0.063 0.000 2.145 283 L HA 0.332 4.671 4.340 -0.001 0.000 0.201 283 L C 2.270 179.294 176.870 0.257 0.000 1.075 283 L CA 1.210 56.121 54.840 0.119 0.000 0.773 283 L CB -0.879 41.222 42.059 0.070 0.000 0.936 283 L HN 0.512 nan 8.230 nan 0.000 0.451 284 W N -0.401 120.918 121.300 0.031 0.000 2.381 284 W HA -0.169 4.490 4.660 -0.000 0.000 0.301 284 W C 1.892 178.557 176.519 0.244 0.000 1.205 284 W CA 1.258 58.675 57.345 0.119 0.000 1.285 284 W CB 0.256 29.735 29.460 0.031 0.000 1.133 284 W HN 0.175 nan 8.180 nan 0.000 0.521 285 L N -1.052 120.311 121.223 0.234 0.000 2.463 285 L HA 0.188 4.528 4.340 -0.001 0.000 0.219 285 L C 2.306 179.236 176.870 0.100 0.000 1.088 285 L CA 0.791 55.742 54.840 0.185 0.000 0.849 285 L CB -0.598 41.538 42.059 0.129 0.000 1.012 285 L HN -0.081 nan 8.230 nan 0.000 0.468 286 G N -0.326 108.510 108.800 0.060 0.000 2.680 286 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.224 286 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.224 286 G C 1.316 176.249 174.900 0.055 0.000 1.454 286 G CA 0.200 45.318 45.100 0.031 0.000 0.900 286 G HN 0.029 nan 8.290 nan 0.000 0.570 287 K N -0.056 120.388 120.400 0.074 0.000 2.020 287 K HA -0.028 4.291 4.320 -0.001 0.000 0.212 287 K C 2.575 179.231 176.600 0.094 0.000 1.050 287 K CA 1.383 57.736 56.287 0.111 0.000 0.929 287 K CB -0.368 32.213 32.500 0.135 0.000 0.714 287 K HN 0.291 nan 8.250 nan 0.000 0.443 288 L N 0.771 122.048 121.223 0.089 0.000 2.093 288 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 288 L C 2.407 179.228 176.870 -0.083 0.000 1.085 288 L CA 0.759 55.612 54.840 0.022 0.000 0.755 288 L CB -0.317 41.783 42.059 0.069 0.000 0.904 288 L HN 0.255 nan 8.230 nan 0.000 0.435 289 L N -0.464 120.715 121.223 -0.073 0.000 2.093 289 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 289 L C 2.834 179.646 176.870 -0.096 0.000 1.085 289 L CA 1.077 55.854 54.840 -0.105 0.000 0.755 289 L CB -0.503 41.519 42.059 -0.062 0.000 0.904 289 L HN 0.295 nan 8.230 nan 0.000 0.435 290 R N 0.904 121.362 120.500 -0.071 0.000 2.073 290 R HA -0.199 4.140 4.340 -0.001 0.000 0.234 290 R C 2.425 178.541 176.300 -0.307 0.000 1.134 290 R CA 1.483 57.525 56.100 -0.097 0.000 0.952 290 R CB -0.327 29.970 30.300 -0.005 0.000 0.850 290 R HN 0.301 nan 8.270 nan 0.000 0.433 291 L N 0.445 121.416 121.223 -0.419 0.000 2.083 291 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 291 L C 2.287 178.828 176.870 -0.548 0.000 1.083 291 L CA 1.822 56.141 54.840 -0.868 0.000 0.752 291 L CB -0.333 41.404 42.059 -0.536 0.000 0.899 291 L HN 0.318 nan 8.230 nan 0.000 0.433 292 A N -0.904 121.740 122.820 -0.293 0.000 2.066 292 A HA 0.183 4.502 4.320 -0.001 0.000 0.218 292 A C 1.719 179.217 177.584 -0.144 0.000 1.157 292 A CA 1.083 53.021 52.037 -0.165 0.000 0.670 292 A CB -0.440 18.484 19.000 -0.128 0.000 0.804 292 A HN 0.747 nan 8.150 nan 0.000 0.453 293 G N -2.930 105.773 108.800 -0.161 0.000 2.234 293 G HA2 0.279 4.239 3.960 -0.001 0.000 0.153 293 G HA3 0.279 4.239 3.960 -0.001 0.000 0.153 293 G C 0.206 175.078 174.900 -0.047 0.000 1.013 293 G CA -0.004 45.029 45.100 -0.111 0.000 0.712 293 G HN 1.312 nan 8.290 nan 0.000 0.491 294 A N 0.495 123.300 122.820 -0.026 0.000 2.409 294 A HA 0.575 4.894 4.320 -0.001 0.000 0.267 294 A C 1.032 178.657 177.584 0.068 0.000 1.127 294 A CA 0.573 52.643 52.037 0.054 0.000 0.795 294 A CB 0.339 19.378 19.000 0.065 0.000 1.061 294 A HN 0.171 nan 8.150 nan 0.000 0.502 295 D N 1.163 121.633 120.400 0.117 0.000 2.271 295 D HA 0.104 4.744 4.640 -0.001 0.000 0.206 295 D C -0.454 175.779 176.300 -0.111 0.000 0.967 295 D CA 1.390 55.381 54.000 -0.015 0.000 0.867 295 D CB 0.158 40.937 40.800 -0.035 0.000 0.960 295 D HN 0.573 nan 8.370 nan 0.000 0.509 296 F N -0.103 119.937 119.950 0.149 0.000 2.576 296 F HA 0.432 4.959 4.527 -0.001 0.000 0.313 296 F C -0.288 175.584 175.800 0.119 0.000 1.078 296 F CA -1.107 56.988 58.000 0.158 0.000 0.921 296 F CB 2.375 41.426 39.000 0.086 0.000 1.232 296 F HN -0.459 nan 8.300 nan 0.000 0.459 297 V N 3.976 124.093 119.914 0.338 0.000 2.524 297 V HA 0.373 4.492 4.120 -0.001 0.000 0.297 297 V C -0.812 175.422 176.094 0.233 0.000 1.035 297 V CA -0.567 61.890 62.300 0.263 0.000 0.867 297 V CB 1.682 33.662 31.823 0.262 0.000 1.004 297 V HN 0.473 nan 8.190 nan 0.000 0.426 298 L N 6.517 127.792 121.223 0.087 0.000 2.334 298 L HA 0.739 5.078 4.340 -0.001 0.000 0.277 298 L C -0.404 176.456 176.870 -0.017 0.000 1.075 298 L CA 0.245 55.011 54.840 -0.124 0.000 0.804 298 L CB 0.928 42.844 42.059 -0.238 0.000 1.174 298 L HN 0.661 nan 8.230 nan 0.000 0.438 299 F N 0.768 120.652 119.950 -0.110 0.000 2.654 299 F HA 0.701 5.228 4.527 -0.001 0.000 0.308 299 F C -2.914 172.823 175.800 -0.105 0.000 1.108 299 F CA -2.951 54.996 58.000 -0.088 0.000 0.957 299 F CB 0.672 39.649 39.000 -0.039 0.000 1.309 299 F HN 0.197 nan 8.300 nan 0.000 0.446 300 P HA 0.139 nan 4.420 nan 0.000 0.263 300 P C -0.209 177.120 177.300 0.048 0.000 1.195 300 P CA 0.106 63.217 63.100 0.019 0.000 0.762 300 P CB 0.922 32.648 31.700 0.043 0.000 0.799 301 S N 4.734 120.369 115.700 -0.108 0.000 2.617 301 S HA 0.300 4.770 4.470 -0.001 0.000 0.259 301 S C -1.812 172.651 174.600 -0.229 0.000 1.301 301 S CA -0.880 57.204 58.200 -0.193 0.000 0.984 301 S CB -0.027 63.019 63.200 -0.258 0.000 0.954 301 S HN 0.250 nan 8.310 nan 0.000 0.572 302 P HA 0.224 nan 4.420 nan 0.000 0.255 302 P C -0.135 177.014 177.300 -0.252 0.000 1.248 302 P CA 0.245 63.140 63.100 -0.341 0.000 0.807 302 P CB -0.197 31.328 31.700 -0.291 0.000 1.150 303 Y N -0.670 119.683 120.300 0.089 0.000 2.441 303 Y HA 0.340 4.889 4.550 -0.001 0.000 0.288 303 Y C 1.962 177.898 175.900 0.060 0.000 1.118 303 Y CA -0.179 57.962 58.100 0.068 0.000 1.215 303 Y CB -1.298 37.195 38.460 0.054 0.000 1.118 303 Y HN -0.152 nan 8.280 nan 0.000 0.547 304 G N -0.285 108.621 108.800 0.176 0.000 2.508 304 G HA2 0.231 4.191 3.960 -0.001 0.000 0.278 304 G HA3 0.231 4.191 3.960 -0.001 0.000 0.278 304 G C 1.001 175.952 174.900 0.085 0.000 1.389 304 G CA 0.157 45.333 45.100 0.126 0.000 1.050 304 G HN 0.181 nan 8.290 nan 0.000 0.522 305 S N -1.435 114.307 115.700 0.071 0.000 2.368 305 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 305 S C 1.147 175.772 174.600 0.042 0.000 1.029 305 S CA 0.485 58.718 58.200 0.055 0.000 0.988 305 S CB -0.053 63.179 63.200 0.052 0.000 0.838 305 S HN 0.242 nan 8.310 nan 0.000 0.462 306 V N 2.252 122.189 119.914 0.039 0.000 2.339 306 V HA 0.713 4.833 4.120 -0.001 0.000 0.261 306 V C 0.145 176.251 176.094 0.021 0.000 1.058 306 V CA -0.249 62.068 62.300 0.029 0.000 0.897 306 V CB -0.101 31.741 31.823 0.031 0.000 1.052 306 V HN 0.444 nan 8.190 nan 0.000 0.480 307 A N 5.601 128.430 122.820 0.015 0.000 2.533 307 A HA 0.963 5.283 4.320 -0.001 0.000 0.293 307 A C -1.383 176.205 177.584 0.006 0.000 1.228 307 A CA -0.675 51.365 52.037 0.005 0.000 0.689 307 A CB 1.557 20.557 19.000 -0.000 0.000 1.303 307 A HN 0.578 nan 8.150 nan 0.000 0.444 308 L N 0.255 121.481 121.223 0.005 0.000 2.333 308 L HA 0.469 4.808 4.340 -0.001 0.000 0.263 308 L C 0.105 176.971 176.870 -0.008 0.000 1.014 308 L CA -0.834 54.011 54.840 0.008 0.000 0.820 308 L CB 1.804 43.890 42.059 0.044 0.000 1.352 308 L HN 0.849 nan 8.230 nan 0.000 0.421 309 E N 1.782 121.973 120.200 -0.016 0.000 2.415 309 E HA -0.032 4.317 4.350 -0.001 0.000 0.262 309 E C 0.801 177.391 176.600 -0.017 0.000 1.038 309 E CA 0.206 56.594 56.400 -0.020 0.000 0.921 309 E CB 1.091 30.774 29.700 -0.029 0.000 0.950 309 E HN 0.524 nan 8.360 nan 0.000 0.438 310 R N 3.058 123.547 120.500 -0.018 0.000 2.112 310 R HA -0.200 4.140 4.340 -0.001 0.000 0.242 310 R C 1.534 177.815 176.300 -0.033 0.000 1.137 310 R CA 1.992 58.078 56.100 -0.023 0.000 0.944 310 R CB 0.041 30.331 30.300 -0.016 0.000 0.857 310 R HN 0.509 nan 8.270 nan 0.000 0.435 311 E N 0.228 120.406 120.200 -0.037 0.000 2.204 311 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 311 E C 2.041 178.612 176.600 -0.048 0.000 0.989 311 E CA 0.852 57.225 56.400 -0.046 0.000 0.824 311 E CB -0.015 29.660 29.700 -0.042 0.000 0.756 311 E HN 0.511 nan 8.360 nan 0.000 0.477 312 Q N 0.108 119.882 119.800 -0.043 0.000 2.049 312 Q HA -0.024 4.315 4.340 -0.001 0.000 0.198 312 Q C 2.206 178.162 176.000 -0.073 0.000 0.971 312 Q CA 1.257 57.028 55.803 -0.055 0.000 0.833 312 Q CB -0.242 28.468 28.738 -0.045 0.000 0.896 312 Q HN 0.222 nan 8.270 nan 0.000 0.434 313 A N 1.148 123.956 122.820 -0.021 0.000 1.902 313 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 313 A C 2.219 179.832 177.584 0.047 0.000 1.181 313 A CA 1.047 53.102 52.037 0.030 0.000 0.623 313 A CB -0.725 18.456 19.000 0.301 0.000 0.818 313 A HN 0.276 nan 8.150 nan 0.000 0.443 314 L N -0.761 120.472 121.223 0.017 0.000 2.093 314 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 314 L C 2.802 179.649 176.870 -0.038 0.000 1.085 314 L CA 0.971 55.788 54.840 -0.038 0.000 0.755 314 L CB -0.807 41.177 42.059 -0.125 0.000 0.904 314 L HN 0.499 nan 8.230 nan 0.000 0.435 315 G N 0.372 109.133 108.800 -0.066 0.000 2.422 315 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.218 315 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.218 315 G C 1.592 176.436 174.900 -0.093 0.000 1.146 315 G CA 0.593 45.651 45.100 -0.069 0.000 0.769 315 G HN 0.271 nan 8.290 nan 0.000 0.547 316 I N 1.269 121.725 120.570 -0.190 0.000 2.202 316 I HA -0.150 4.019 4.170 -0.001 0.000 0.242 316 I C 3.301 179.304 176.117 -0.190 0.000 1.091 316 I CA 0.972 62.101 61.300 -0.286 0.000 1.368 316 I CB -0.248 37.335 38.000 -0.696 0.000 1.058 316 I HN 0.238 nan 8.210 nan 0.000 0.410 317 A N 0.671 123.418 122.820 -0.122 0.000 1.908 317 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 317 A C 2.404 180.042 177.584 0.090 0.000 1.181 317 A CA 1.851 53.959 52.037 0.120 0.000 0.627 317 A CB -0.653 18.601 19.000 0.424 0.000 0.818 317 A HN 0.322 nan 8.150 nan 0.000 0.445 318 R N -0.515 120.011 120.500 0.042 0.000 2.073 318 R HA -0.096 4.244 4.340 -0.001 0.000 0.234 318 R C 2.312 178.630 176.300 0.030 0.000 1.134 318 R CA 1.486 57.604 56.100 0.029 0.000 0.952 318 R CB -0.409 29.892 30.300 0.002 0.000 0.850 318 R HN 0.455 nan 8.270 nan 0.000 0.433 319 A N 0.501 123.331 122.820 0.017 0.000 1.972 319 A HA -0.104 4.216 4.320 -0.001 0.000 0.219 319 A C 2.097 179.717 177.584 0.060 0.000 1.169 319 A CA 1.114 53.173 52.037 0.036 0.000 0.635 319 A CB -0.425 18.589 19.000 0.023 0.000 0.810 319 A HN 0.333 nan 8.150 nan 0.000 0.446 320 L N -0.501 120.755 121.223 0.055 0.000 2.156 320 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 320 L C 2.548 179.456 176.870 0.064 0.000 1.095 320 L CA 1.674 56.558 54.840 0.072 0.000 0.770 320 L CB -0.373 41.747 42.059 0.101 0.000 0.914 320 L HN 0.639 nan 8.230 nan 0.000 0.439 321 T N -5.758 108.830 114.554 0.057 0.000 3.010 321 T HA 0.026 4.375 4.350 -0.001 0.000 0.257 321 T C 0.638 175.357 174.700 0.032 0.000 1.020 321 T CA -0.440 61.681 62.100 0.034 0.000 0.938 321 T CB -0.131 68.757 68.868 0.034 0.000 1.049 321 T HN -0.002 nan 8.240 nan 0.000 0.522 322 D N 4.118 124.543 120.400 0.042 0.000 2.479 322 D HA -0.029 4.611 4.640 -0.001 0.000 0.257 322 D C 0.610 176.929 176.300 0.031 0.000 1.230 322 D CA 0.095 54.115 54.000 0.034 0.000 0.912 322 D CB 0.536 41.359 40.800 0.039 0.000 1.130 322 D HN 0.506 nan 8.370 nan 0.000 0.515 323 D N 2.049 122.459 120.400 0.015 0.000 2.352 323 D HA -0.116 4.524 4.640 -0.001 0.000 0.232 323 D C 1.070 177.368 176.300 -0.002 0.000 1.055 323 D CA 0.508 54.513 54.000 0.007 0.000 0.891 323 D CB -0.174 40.626 40.800 -0.001 0.000 0.897 323 D HN 0.504 nan 8.370 nan 0.000 0.529 324 Q N -0.369 119.432 119.800 0.001 0.000 2.425 324 Q HA 0.041 4.380 4.340 -0.001 0.000 0.204 324 Q C 0.086 176.071 176.000 -0.024 0.000 0.933 324 Q CA 0.256 56.052 55.803 -0.010 0.000 0.939 324 Q CB 0.432 29.167 28.738 -0.005 0.000 1.044 324 Q HN 0.284 nan 8.270 nan 0.000 0.513 325 E N 1.312 121.503 120.200 -0.014 0.000 2.343 325 E HA 0.063 4.413 4.350 -0.001 0.000 0.269 325 E C -1.960 174.528 176.600 -0.187 0.000 1.047 325 E CA -1.911 54.453 56.400 -0.060 0.000 0.874 325 E CB 0.712 30.462 29.700 0.083 0.000 1.033 325 E HN 0.041 nan 8.360 nan 0.000 0.409 326 P HA 0.120 nan 4.420 nan 0.000 0.258 326 P C -0.803 176.163 177.300 -0.558 0.000 1.559 326 P CA 0.267 63.077 63.100 -0.483 0.000 0.855 326 P CB -0.180 31.218 31.700 -0.504 0.000 1.594 327 F N 0.159 120.123 119.950 0.024 0.000 2.603 327 F HA 0.612 5.139 4.527 -0.001 0.000 0.317 327 F C 0.705 176.499 175.800 -0.008 0.000 1.066 327 F CA -1.853 56.152 58.000 0.008 0.000 0.941 327 F CB 0.611 39.623 39.000 0.020 0.000 1.291 327 F HN -0.170 nan 8.300 nan 0.000 0.472 328 A N 1.469 124.400 122.820 0.184 0.000 2.406 328 A HA 0.475 4.795 4.320 -0.001 0.000 0.243 328 A C 0.301 177.924 177.584 0.064 0.000 1.082 328 A CA -0.487 51.593 52.037 0.072 0.000 0.786 328 A CB 0.165 19.179 19.000 0.024 0.000 1.029 328 A HN 0.801 nan 8.150 nan 0.000 0.495 329 R N 0.197 120.699 120.500 0.003 0.000 2.490 329 R HA 0.444 4.784 4.340 -0.001 0.000 0.280 329 R C 0.152 176.411 176.300 -0.068 0.000 1.077 329 R CA 0.299 56.385 56.100 -0.023 0.000 1.065 329 R CB 0.859 31.115 30.300 -0.072 0.000 1.003 329 R HN 0.784 nan 8.270 nan 0.000 0.470 330 A N 3.088 125.890 122.820 -0.029 0.000 2.312 330 A HA 0.397 4.717 4.320 -0.001 0.000 0.328 330 A C -0.712 176.874 177.584 0.004 0.000 1.158 330 A CA -0.599 51.428 52.037 -0.016 0.000 0.821 330 A CB 0.470 19.501 19.000 0.051 0.000 1.170 330 A HN 0.694 nan 8.150 nan 0.000 0.490 331 F N 2.314 122.242 119.950 -0.037 0.000 2.471 331 F HA 0.294 4.820 4.527 -0.001 0.000 0.365 331 F C -1.915 173.962 175.800 0.127 0.000 1.095 331 F CA -1.377 56.635 58.000 0.019 0.000 1.174 331 F CB 1.214 40.189 39.000 -0.042 0.000 1.105 331 F HN 0.314 nan 8.300 nan 0.000 0.535 332 P HA 0.146 nan 4.420 nan 0.000 0.286 332 P C -1.079 176.305 177.300 0.140 0.000 1.269 332 P CA -0.136 63.208 63.100 0.407 0.000 0.787 332 P CB 1.316 33.277 31.700 0.435 0.000 0.920 333 V N 5.723 125.552 119.914 -0.143 0.000 2.315 333 V HA 0.241 4.361 4.120 -0.001 0.000 0.265 333 V C -2.163 173.367 176.094 -0.939 0.000 1.019 333 V CA -1.988 60.066 62.300 -0.411 0.000 0.824 333 V CB 1.086 32.777 31.823 -0.220 0.000 1.072 333 V HN 0.508 nan 8.190 nan 0.000 0.448 334 P HA 0.241 nan 4.420 nan 0.000 0.267 334 P C -0.211 176.725 177.300 -0.607 0.000 1.205 334 P CA 0.585 62.967 63.100 -1.196 0.000 0.765 334 P CB 1.291 32.407 31.700 -0.974 0.000 0.828 335 S N 1.241 116.658 115.700 -0.472 0.000 2.697 335 S HA 0.817 5.286 4.470 -0.001 0.000 0.289 335 S C -0.847 173.672 174.600 -0.137 0.000 1.149 335 S CA -0.085 57.958 58.200 -0.262 0.000 0.850 335 S CB 1.788 64.834 63.200 -0.256 0.000 1.151 335 S HN 0.743 nan 8.310 nan 0.000 0.491 336 A N -0.301 122.472 122.820 -0.077 0.000 2.433 336 A HA 0.421 4.740 4.320 -0.001 0.000 0.685 336 A C 0.902 178.496 177.584 0.016 0.000 0.140 336 A CA 0.294 52.320 52.037 -0.018 0.000 0.034 336 A CB -1.667 17.328 19.000 -0.008 0.000 3.970 336 A HN 2.597 nan 8.150 nan 0.000 0.547 337 G N 0.716 109.528 108.800 0.021 0.000 2.168 337 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.257 337 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.257 337 G C 0.202 175.138 174.900 0.059 0.000 0.997 337 G CA 0.384 45.508 45.100 0.040 0.000 0.708 337 G HN 1.909 nan 8.290 nan 0.000 0.520 338 I N 2.425 123.007 120.570 0.020 0.000 2.588 338 I HA 0.315 4.485 4.170 -0.001 0.000 0.283 338 I C 1.036 177.195 176.117 0.069 0.000 1.119 338 I CA -0.156 61.154 61.300 0.017 0.000 1.419 338 I CB -0.007 37.979 38.000 -0.023 0.000 1.394 338 I HN 0.503 nan 8.210 nan 0.000 0.562 339 H N 5.944 124.995 119.070 -0.032 0.000 2.985 339 H HA 0.402 4.957 4.556 -0.001 0.000 0.360 339 H C -2.756 172.413 175.328 -0.265 0.000 1.221 339 H CA -2.035 53.849 56.048 -0.273 0.000 1.121 339 H CB 1.132 30.463 29.762 -0.719 0.000 1.854 339 H HN 0.088 nan 8.280 nan 0.000 0.551 340 P HA -0.138 nan 4.420 nan 0.000 0.217 340 P C 1.654 178.836 177.300 -0.196 0.000 1.151 340 P CA 2.623 65.384 63.100 -0.564 0.000 0.849 340 P CB -0.368 31.030 31.700 -0.504 0.000 0.787 341 G N -1.062 107.721 108.800 -0.028 0.000 2.535 341 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 341 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 341 G C 1.244 176.008 174.900 -0.227 0.000 1.122 341 G CA 0.315 45.413 45.100 -0.003 0.000 0.769 341 G HN 0.276 nan 8.290 nan 0.000 0.549 342 L N 0.180 121.103 121.223 -0.499 0.000 2.585 342 L HA 0.127 4.466 4.340 -0.001 0.000 0.226 342 L C 2.520 179.232 176.870 -0.263 0.000 1.113 342 L CA -0.270 54.299 54.840 -0.452 0.000 0.876 342 L CB 0.337 42.041 42.059 -0.593 0.000 1.072 342 L HN 0.024 nan 8.230 nan 0.000 0.468 343 V N 0.971 120.807 119.914 -0.131 0.000 2.332 343 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 343 V C -0.204 175.874 176.094 -0.027 0.000 1.055 343 V CA 2.049 64.336 62.300 -0.023 0.000 1.038 343 V CB -1.368 30.483 31.823 0.047 0.000 0.651 343 V HN 0.347 nan 8.190 nan 0.000 0.450 344 P HA -0.137 nan 4.420 nan 0.000 0.215 344 P C 1.987 179.267 177.300 -0.033 0.000 1.153 344 P CA 1.244 64.329 63.100 -0.027 0.000 0.853 344 P CB -0.029 31.652 31.700 -0.032 0.000 0.788 345 L N -1.068 120.092 121.223 -0.105 0.000 2.056 345 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 345 L C 2.319 179.189 176.870 -0.000 0.000 1.078 345 L CA 1.704 56.473 54.840 -0.119 0.000 0.749 345 L CB -1.333 40.526 42.059 -0.334 0.000 0.901 345 L HN 0.009 nan 8.230 nan 0.000 0.433 346 I N -0.279 120.289 120.570 -0.003 0.000 2.163 346 I HA -0.370 3.800 4.170 -0.001 0.000 0.243 346 I C 2.441 178.751 176.117 0.321 0.000 1.085 346 I CA 1.505 62.975 61.300 0.283 0.000 1.347 346 I CB -0.183 37.916 38.000 0.165 0.000 1.044 346 I HN 0.175 nan 8.210 nan 0.000 0.408 347 I N 0.118 120.789 120.570 0.168 0.000 2.315 347 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 347 I C 2.704 178.895 176.117 0.123 0.000 1.117 347 I CA 0.839 62.230 61.300 0.152 0.000 1.404 347 I CB -0.362 37.695 38.000 0.096 0.000 1.071 347 I HN 0.199 nan 8.210 nan 0.000 0.419 348 R N 1.573 122.125 120.500 0.086 0.000 2.073 348 R HA -0.176 4.163 4.340 -0.001 0.000 0.234 348 R C 1.720 178.033 176.300 0.023 0.000 1.134 348 R CA 1.931 58.059 56.100 0.047 0.000 0.952 348 R CB -0.537 29.779 30.300 0.027 0.000 0.850 348 R HN 0.268 nan 8.270 nan 0.000 0.433 349 D N -0.970 119.443 120.400 0.022 0.000 2.137 349 D HA -0.075 4.565 4.640 -0.001 0.000 0.202 349 D C 1.266 177.341 176.300 -0.376 0.000 0.970 349 D CA 1.267 55.150 54.000 -0.196 0.000 0.837 349 D CB -0.027 40.608 40.800 -0.274 0.000 0.981 349 D HN 0.282 nan 8.370 nan 0.000 0.475 350 F N 0.044 120.076 119.950 0.136 0.000 2.721 350 F HA 0.344 4.870 4.527 -0.001 0.000 0.301 350 F C 1.604 177.472 175.800 0.113 0.000 1.096 350 F CA 0.253 58.336 58.000 0.137 0.000 1.308 350 F CB 0.462 39.568 39.000 0.176 0.000 1.086 350 F HN -0.038 nan 8.300 nan 0.000 0.587 351 G N 0.594 109.522 108.800 0.214 0.000 2.681 351 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 351 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 351 G C 0.380 175.381 174.900 0.168 0.000 1.353 351 G CA -0.350 44.843 45.100 0.155 0.000 0.872 351 G HN -0.026 nan 8.290 nan 0.000 0.557 352 L N 0.260 121.562 121.223 0.132 0.000 2.240 352 L HA 0.125 4.464 4.340 -0.001 0.000 0.211 352 L C 1.329 178.305 176.870 0.177 0.000 1.106 352 L CA 1.501 56.421 54.840 0.133 0.000 0.793 352 L CB -0.919 41.201 42.059 0.101 0.000 0.927 352 L HN 0.500 nan 8.230 nan 0.000 0.446 353 D N 0.953 121.458 120.400 0.175 0.000 2.713 353 D HA 0.166 4.805 4.640 -0.001 0.000 0.229 353 D C 0.491 177.011 176.300 0.367 0.000 1.136 353 D CA 0.321 54.448 54.000 0.210 0.000 1.010 353 D CB 0.611 41.413 40.800 0.003 0.000 1.084 353 D HN 0.058 nan 8.370 nan 0.000 0.495 354 T N -0.442 114.372 114.554 0.433 0.000 2.787 354 T HA 0.622 4.971 4.350 -0.001 0.000 0.297 354 T C -1.276 173.494 174.700 0.115 0.000 1.221 354 T CA -0.607 61.693 62.100 0.334 0.000 1.006 354 T CB 1.187 70.180 68.868 0.208 0.000 1.328 354 T HN 0.001 nan 8.240 nan 0.000 0.509 355 I N 2.275 122.802 120.570 -0.072 0.000 2.465 355 I HA 0.453 4.622 4.170 -0.001 0.000 0.291 355 I C -0.428 175.565 176.117 -0.207 0.000 1.014 355 I CA -1.181 59.989 61.300 -0.218 0.000 1.093 355 I CB 2.212 40.009 38.000 -0.339 0.000 1.267 355 I HN 0.302 nan 8.210 nan 0.000 0.431 356 V N 5.246 125.036 119.914 -0.206 0.000 2.389 356 V HA 0.168 4.288 4.120 -0.001 0.000 0.264 356 V C -0.027 175.846 176.094 -0.369 0.000 1.049 356 V CA -0.191 61.963 62.300 -0.245 0.000 0.932 356 V CB 0.785 32.483 31.823 -0.208 0.000 1.011 356 V HN 0.663 nan 8.190 nan 0.000 0.475 357 N N 4.035 122.528 118.700 -0.346 0.000 2.372 357 N HA 0.758 5.497 4.740 -0.001 0.000 0.285 357 N C -0.801 174.509 175.510 -0.334 0.000 1.008 357 N CA -0.110 52.734 53.050 -0.343 0.000 0.880 357 N CB 1.891 40.211 38.487 -0.279 0.000 1.239 357 N HN 0.825 nan 8.380 nan 0.000 0.484 358 A N 1.469 124.073 122.820 -0.361 0.000 2.547 358 A HA 0.687 5.006 4.320 -0.001 0.000 0.297 358 A C 0.290 177.788 177.584 -0.143 0.000 1.056 358 A CA -0.298 51.588 52.037 -0.251 0.000 0.688 358 A CB 1.186 19.990 19.000 -0.327 0.000 1.282 358 A HN 0.693 nan 8.150 nan 0.000 0.400 359 G N 0.801 109.584 108.800 -0.029 0.000 2.764 359 G HA2 0.374 4.334 3.960 -0.001 0.000 0.218 359 G HA3 0.374 4.334 3.960 -0.001 0.000 0.218 359 G C 1.271 176.271 174.900 0.166 0.000 1.304 359 G CA 1.071 46.227 45.100 0.093 0.000 0.847 359 G HN 1.461 nan 8.290 nan 0.000 0.610 360 G N 0.776 109.651 108.800 0.125 0.000 2.432 360 G HA2 0.108 4.068 3.960 -0.001 0.000 0.219 360 G HA3 0.108 4.068 3.960 -0.001 0.000 0.219 360 G C 1.703 176.662 174.900 0.099 0.000 1.135 360 G CA 1.437 46.628 45.100 0.151 0.000 0.767 360 G HN 0.664 nan 8.290 nan 0.000 0.550 361 G N 0.373 109.146 108.800 -0.045 0.000 2.498 361 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.219 361 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.219 361 G C 1.494 176.495 174.900 0.167 0.000 1.119 361 G CA 0.629 45.614 45.100 -0.193 0.000 0.766 361 G HN 0.368 nan 8.290 nan 0.000 0.552 362 I N -0.200 120.451 120.570 0.135 0.000 2.681 362 I HA 0.062 4.231 4.170 -0.001 0.000 0.247 362 I C 2.227 178.347 176.117 0.005 0.000 1.091 362 I CA 0.688 62.009 61.300 0.034 0.000 1.442 362 I CB -1.103 36.720 38.000 -0.296 0.000 1.219 362 I HN 0.170 nan 8.210 nan 0.000 0.451 363 H N 0.592 119.757 119.070 0.158 0.000 2.491 363 H HA 0.027 4.582 4.556 -0.001 0.000 0.290 363 H C 2.042 177.500 175.328 0.217 0.000 1.050 363 H CA 1.240 57.379 56.048 0.151 0.000 1.309 363 H CB -0.212 29.614 29.762 0.108 0.000 1.392 363 H HN 0.332 nan 8.280 nan 0.000 0.554 364 G N 0.192 109.234 108.800 0.402 0.000 2.920 364 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.208 364 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.208 364 G C 0.666 175.803 174.900 0.396 0.000 1.159 364 G CA -0.233 45.123 45.100 0.425 0.000 0.784 364 G HN 0.365 nan 8.290 nan 0.000 0.535 365 H N 1.286 120.567 119.070 0.351 0.000 2.897 365 H HA 0.070 4.626 4.556 -0.001 0.000 0.347 365 H C -1.343 174.006 175.328 0.034 0.000 1.068 365 H CA -1.179 54.975 56.048 0.177 0.000 1.426 365 H CB 1.686 31.565 29.762 0.194 0.000 1.410 365 H HN -0.067 nan 8.280 nan 0.000 0.597 366 P HA -0.141 nan 4.420 nan 0.000 0.217 366 P C 0.204 177.576 177.300 0.120 0.000 1.148 366 P CA 1.502 64.543 63.100 -0.098 0.000 0.834 366 P CB 0.311 31.858 31.700 -0.255 0.000 0.783 367 D N -1.220 119.421 120.400 0.403 0.000 2.525 367 D HA 0.269 4.908 4.640 -0.001 0.000 0.229 367 D C 1.184 177.569 176.300 0.141 0.000 1.202 367 D CA 0.394 54.527 54.000 0.221 0.000 0.828 367 D CB 0.139 41.040 40.800 0.168 0.000 1.008 367 D HN 0.068 nan 8.370 nan 0.000 0.493 368 G N 1.182 110.089 108.800 0.179 0.000 2.698 368 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.233 368 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.233 368 G C 1.084 176.020 174.900 0.060 0.000 1.352 368 G CA -0.152 45.022 45.100 0.124 0.000 0.879 368 G HN 0.290 nan 8.290 nan 0.000 0.567 369 A N -0.765 122.065 122.820 0.016 0.000 1.940 369 A HA 0.029 4.348 4.320 -0.001 0.000 0.219 369 A C 2.600 180.113 177.584 -0.119 0.000 1.176 369 A CA 2.431 54.401 52.037 -0.112 0.000 0.631 369 A CB -0.426 18.486 19.000 -0.146 0.000 0.814 369 A HN 0.983 nan 8.150 nan 0.000 0.446 370 I N -0.534 119.980 120.570 -0.093 0.000 2.179 370 I HA -0.208 3.961 4.170 -0.001 0.000 0.242 370 I C 2.736 178.753 176.117 -0.166 0.000 1.088 370 I CA 1.249 62.486 61.300 -0.105 0.000 1.357 370 I CB -0.782 37.174 38.000 -0.073 0.000 1.051 370 I HN 0.402 nan 8.210 nan 0.000 0.409 371 G N 0.483 109.135 108.800 -0.247 0.000 2.422 371 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.218 371 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.218 371 G C 1.711 176.113 174.900 -0.830 0.000 1.146 371 G CA 0.814 45.566 45.100 -0.579 0.000 0.769 371 G HN 0.500 nan 8.290 nan 0.000 0.547 372 G N 0.841 109.355 108.800 -0.477 0.000 2.421 372 G HA2 0.038 3.997 3.960 -0.001 0.000 0.216 372 G HA3 0.038 3.997 3.960 -0.001 0.000 0.216 372 G C 1.779 176.723 174.900 0.073 0.000 1.171 372 G CA 1.383 46.445 45.100 -0.063 0.000 0.775 372 G HN 0.574 nan 8.290 nan 0.000 0.543 373 G N 0.373 109.170 108.800 -0.004 0.000 2.418 373 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.217 373 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.217 373 G C 1.950 176.876 174.900 0.043 0.000 1.158 373 G CA 0.760 45.884 45.100 0.040 0.000 0.771 373 G HN 0.437 nan 8.290 nan 0.000 0.545 374 R N 0.473 120.948 120.500 -0.042 0.000 2.096 374 R HA 0.029 4.369 4.340 -0.001 0.000 0.235 374 R C 3.007 179.303 176.300 -0.007 0.000 1.127 374 R CA 1.098 57.177 56.100 -0.035 0.000 0.968 374 R CB -0.331 29.925 30.300 -0.074 0.000 0.861 374 R HN 0.354 nan 8.270 nan 0.000 0.440 375 A N 0.591 123.393 122.820 -0.030 0.000 1.902 375 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 375 A C 1.874 179.440 177.584 -0.030 0.000 1.181 375 A CA 1.190 53.220 52.037 -0.012 0.000 0.623 375 A CB -0.558 18.465 19.000 0.038 0.000 0.818 375 A HN 0.191 nan 8.150 nan 0.000 0.443 376 F N -0.045 119.911 119.950 0.010 0.000 2.146 376 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 376 F C 2.601 178.389 175.800 -0.021 0.000 1.096 376 F CA 1.452 59.444 58.000 -0.013 0.000 1.275 376 F CB -0.172 38.799 39.000 -0.048 0.000 1.008 376 F HN 0.064 nan 8.300 nan 0.000 0.480 377 R N 0.179 120.777 120.500 0.164 0.000 2.096 377 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 377 R C 2.323 178.658 176.300 0.059 0.000 1.127 377 R CA 1.237 57.386 56.100 0.082 0.000 0.968 377 R CB -1.420 28.905 30.300 0.042 0.000 0.861 377 R HN 0.313 nan 8.270 nan 0.000 0.440 378 A N 0.972 123.819 122.820 0.045 0.000 1.930 378 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 378 A C 2.374 179.976 177.584 0.029 0.000 1.175 378 A CA 1.703 53.757 52.037 0.028 0.000 0.627 378 A CB -0.496 18.514 19.000 0.017 0.000 0.815 378 A HN 0.335 nan 8.150 nan 0.000 0.443 379 A N 0.010 122.848 122.820 0.031 0.000 1.898 379 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 379 A C 2.116 179.727 177.584 0.044 0.000 1.181 379 A CA 1.468 53.520 52.037 0.024 0.000 0.620 379 A CB -0.586 18.414 19.000 -0.000 0.000 0.819 379 A HN 0.489 nan 8.150 nan 0.000 0.442 380 I N -0.095 120.516 120.570 0.068 0.000 2.179 380 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 380 I C 1.921 178.065 176.117 0.045 0.000 1.088 380 I CA 1.562 62.899 61.300 0.062 0.000 1.357 380 I CB -0.505 37.535 38.000 0.065 0.000 1.051 380 I HN 0.241 nan 8.210 nan 0.000 0.409 381 D N 1.084 121.508 120.400 0.040 0.000 2.123 381 D HA -0.164 4.476 4.640 -0.001 0.000 0.196 381 D C 2.248 178.565 176.300 0.028 0.000 0.992 381 D CA 1.612 55.631 54.000 0.032 0.000 0.833 381 D CB -0.224 40.592 40.800 0.028 0.000 0.954 381 D HN 0.358 nan 8.370 nan 0.000 0.455 382 A N 0.594 123.429 122.820 0.026 0.000 1.877 382 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 382 A C 2.559 180.156 177.584 0.021 0.000 1.186 382 A CA 1.467 53.517 52.037 0.020 0.000 0.620 382 A CB -0.818 18.192 19.000 0.016 0.000 0.822 382 A HN 0.153 nan 8.150 nan 0.000 0.443 383 V N -0.380 119.549 119.914 0.025 0.000 2.343 383 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 383 V C 2.453 178.564 176.094 0.029 0.000 1.051 383 V CA 1.889 64.205 62.300 0.026 0.000 1.036 383 V CB -0.780 31.062 31.823 0.031 0.000 0.654 383 V HN 0.473 nan 8.190 nan 0.000 0.451 384 L N 0.248 121.491 121.223 0.033 0.000 2.201 384 L HA -0.009 4.330 4.340 -0.001 0.000 0.212 384 L C 2.332 179.219 176.870 0.028 0.000 1.105 384 L CA 1.964 56.825 54.840 0.035 0.000 0.775 384 L CB -0.987 41.096 42.059 0.039 0.000 0.913 384 L HN 0.313 nan 8.230 nan 0.000 0.440 385 A N -1.468 121.367 122.820 0.025 0.000 2.195 385 A HA 0.436 4.756 4.320 -0.001 0.000 0.210 385 A C 1.712 179.307 177.584 0.018 0.000 1.165 385 A CA 0.646 52.695 52.037 0.020 0.000 0.806 385 A CB -0.382 18.629 19.000 0.019 0.000 0.847 385 A HN 0.468 nan 8.150 nan 0.000 0.482 386 G N -0.498 108.313 108.800 0.018 0.000 2.137 386 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.237 386 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.237 386 G C 0.048 174.956 174.900 0.013 0.000 1.002 386 G CA 0.155 45.264 45.100 0.015 0.000 0.702 386 G HN 0.622 nan 8.290 nan 0.000 0.515 387 R N 0.228 120.736 120.500 0.013 0.000 2.460 387 R HA 0.503 4.842 4.340 -0.001 0.000 0.303 387 R C -2.598 173.708 176.300 0.009 0.000 0.968 387 R CA -1.931 54.175 56.100 0.011 0.000 0.889 387 R CB 1.336 31.642 30.300 0.011 0.000 1.123 387 R HN 0.061 nan 8.270 nan 0.000 0.455 388 P HA 0.017 nan 4.420 nan 0.000 0.269 388 P C 0.652 177.956 177.300 0.007 0.000 1.209 388 P CA -0.069 63.035 63.100 0.007 0.000 0.776 388 P CB 0.646 32.349 31.700 0.006 0.000 0.876 389 L N 1.921 123.148 121.223 0.006 0.000 2.079 389 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 389 L C 2.310 179.184 176.870 0.007 0.000 1.081 389 L CA 1.699 56.543 54.840 0.007 0.000 0.752 389 L CB -0.580 41.483 42.059 0.006 0.000 0.896 389 L HN 0.435 nan 8.230 nan 0.000 0.433 390 R N -0.123 120.381 120.500 0.007 0.000 2.120 390 R HA -0.105 4.234 4.340 -0.001 0.000 0.234 390 R C 2.427 178.729 176.300 0.003 0.000 1.123 390 R CA 1.164 57.267 56.100 0.004 0.000 0.975 390 R CB -0.365 29.937 30.300 0.003 0.000 0.866 390 R HN 0.370 nan 8.270 nan 0.000 0.446 391 A N 1.145 123.968 122.820 0.004 0.000 1.897 391 A HA -0.018 4.302 4.320 -0.001 0.000 0.215 391 A C 2.337 179.924 177.584 0.005 0.000 1.181 391 A CA 1.409 53.449 52.037 0.004 0.000 0.620 391 A CB -0.504 18.499 19.000 0.005 0.000 0.821 391 A HN 0.354 nan 8.150 nan 0.000 0.443 392 A N -0.148 122.676 122.820 0.007 0.000 1.969 392 A HA 0.228 4.548 4.320 -0.001 0.000 0.218 392 A C 2.389 179.977 177.584 0.007 0.000 1.169 392 A CA 1.746 53.787 52.037 0.008 0.000 0.635 392 A CB -0.841 18.165 19.000 0.010 0.000 0.810 392 A HN 1.034 nan 8.150 nan 0.000 0.445 393 A N -0.189 122.635 122.820 0.007 0.000 2.070 393 A HA 0.219 4.539 4.320 -0.001 0.000 0.220 393 A C 2.313 179.899 177.584 0.004 0.000 1.159 393 A CA 1.610 53.651 52.037 0.007 0.000 0.656 393 A CB -0.737 18.266 19.000 0.005 0.000 0.800 393 A HN 1.011 nan 8.150 nan 0.000 0.453 394 A N -0.162 122.660 122.820 0.003 0.000 2.070 394 A HA -0.102 4.217 4.320 -0.001 0.000 0.220 394 A C 1.574 179.159 177.584 0.002 0.000 1.159 394 A CA 1.486 53.523 52.037 0.001 0.000 0.656 394 A CB -0.263 18.738 19.000 0.001 0.000 0.800 394 A HN 0.640 nan 8.150 nan 0.000 0.453 395 E N -0.882 119.320 120.200 0.004 0.000 2.603 395 E HA 0.122 4.471 4.350 -0.001 0.000 0.211 395 E C -0.392 176.211 176.600 0.005 0.000 0.995 395 E CA -0.265 56.137 56.400 0.004 0.000 0.990 395 E CB 0.348 30.050 29.700 0.004 0.000 1.036 395 E HN 0.414 nan 8.360 nan 0.000 0.475 396 N N 1.418 120.122 118.700 0.007 0.000 2.594 396 N HA -0.011 4.728 4.740 -0.001 0.000 0.280 396 N C 0.070 175.590 175.510 0.017 0.000 1.156 396 N CA 0.095 53.151 53.050 0.010 0.000 0.831 396 N CB 1.415 39.909 38.487 0.011 0.000 1.379 396 N HN 0.038 nan 8.380 nan 0.000 0.536 397 E N 2.992 123.203 120.200 0.017 0.000 2.085 397 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 397 E C 1.509 178.145 176.600 0.060 0.000 0.994 397 E CA 1.690 58.106 56.400 0.026 0.000 0.801 397 E CB 0.186 29.899 29.700 0.021 0.000 0.743 397 E HN 0.661 nan 8.360 nan 0.000 0.453 398 A N 1.058 123.918 122.820 0.067 0.000 1.883 398 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 398 A C 2.156 179.863 177.584 0.205 0.000 1.186 398 A CA 1.544 53.661 52.037 0.134 0.000 0.624 398 A CB -0.729 18.258 19.000 -0.021 0.000 0.822 398 A HN 0.404 nan 8.150 nan 0.000 0.444 399 L N -0.660 120.616 121.223 0.087 0.000 2.093 399 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 399 L C 2.432 179.330 176.870 0.046 0.000 1.085 399 L CA 2.602 57.479 54.840 0.062 0.000 0.755 399 L CB -0.748 41.326 42.059 0.025 0.000 0.904 399 L HN 0.485 nan 8.230 nan 0.000 0.435 400 Q N 0.173 119.991 119.800 0.030 0.000 2.061 400 Q HA -0.233 4.107 4.340 -0.001 0.000 0.204 400 Q C 2.189 178.166 176.000 -0.038 0.000 0.984 400 Q CA 2.072 57.874 55.803 -0.003 0.000 0.846 400 Q CB -0.169 28.566 28.738 -0.006 0.000 0.902 400 Q HN 0.506 nan 8.270 nan 0.000 0.421 401 K N -0.488 119.886 120.400 -0.044 0.000 2.097 401 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 401 K C 2.031 178.451 176.600 -0.299 0.000 1.049 401 K CA 1.057 57.235 56.287 -0.181 0.000 0.933 401 K CB -0.246 32.123 32.500 -0.219 0.000 0.717 401 K HN 0.288 nan 8.250 nan 0.000 0.442 402 A N 1.616 124.354 122.820 -0.137 0.000 1.898 402 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 402 A C 2.051 179.639 177.584 0.005 0.000 1.181 402 A CA 1.152 53.167 52.037 -0.036 0.000 0.620 402 A CB -0.362 18.774 19.000 0.227 0.000 0.819 402 A HN 0.080 nan 8.150 nan 0.000 0.442 403 I N 0.695 121.270 120.570 0.008 0.000 2.286 403 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 403 I C 1.601 177.689 176.117 -0.048 0.000 1.115 403 I CA 1.463 62.776 61.300 0.020 0.000 1.392 403 I CB -1.531 36.477 38.000 0.012 0.000 1.065 403 I HN 0.268 nan 8.210 nan 0.000 0.418 404 D N 0.196 120.528 120.400 -0.113 0.000 2.178 404 D HA -0.166 4.473 4.640 -0.001 0.000 0.202 404 D C 2.330 178.494 176.300 -0.228 0.000 0.974 404 D CA 0.868 54.781 54.000 -0.145 0.000 0.841 404 D CB -0.109 40.601 40.800 -0.150 0.000 0.953 404 D HN 0.317 nan 8.370 nan 0.000 0.478 405 R N -0.643 119.626 120.500 -0.386 0.000 2.066 405 R HA -0.034 4.305 4.340 -0.001 0.000 0.224 405 R C 1.393 177.342 176.300 -0.585 0.000 1.122 405 R CA 0.846 56.561 56.100 -0.641 0.000 0.974 405 R CB 0.081 29.666 30.300 -1.191 0.000 0.871 405 R HN 0.184 nan 8.270 nan 0.000 0.435 406 W N 0.336 121.531 121.300 -0.175 0.000 2.975 406 W HA 0.378 5.038 4.660 -0.001 0.000 0.316 406 W C 0.568 176.957 176.519 -0.215 0.000 1.131 406 W CA 0.614 57.781 57.345 -0.296 0.000 1.624 406 W CB 0.029 29.151 29.460 -0.564 0.000 1.038 406 W HN 0.395 nan 8.180 nan 0.000 0.571 407 G N 0.930 109.784 108.800 0.090 0.000 2.760 407 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.246 407 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.246 407 G C -1.268 173.732 174.900 0.166 0.000 1.359 407 G CA -0.617 44.538 45.100 0.092 0.000 0.861 407 G HN -0.059 nan 8.290 nan 0.000 0.541 408 V N -0.014 119.967 119.914 0.112 0.000 2.540 408 V HA 0.670 4.790 4.120 -0.001 0.000 0.302 408 V C 0.823 176.959 176.094 0.071 0.000 1.035 408 V CA -0.642 61.712 62.300 0.091 0.000 0.873 408 V CB 1.443 33.293 31.823 0.045 0.000 0.992 408 V HN 0.924 nan 8.190 nan 0.000 0.428 409 V N 0.000 119.939 119.914 0.042 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 409 V CA 0.000 62.308 62.300 0.013 0.000 1.235 409 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556