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 2jbm_1_I DATA FIRST_RESID 4 DATA SEQUENCE DAEGLALLLP PVTLAALVDS WLREDCPGLN YAALVSGAGP SQAALWAKSP DATA SEQUENCE GVLAGQPFFD AIFTQLNCQV SWFLPEGSKL VPVARVAEVR GPAHCLLLGE DATA SEQUENCE RVALNTLARC SGIASAAAAA VEAARGAGWT GHVAGTRKTT PGFRLVEKYG DATA SEQUENCE LLVGGAASHR YDLGGLVMVK DNHVVAAGGV EKAVRAARQA ADFALKVEVE DATA SEQUENCE CSSLQEAVQA AEAGADLVLL DNFKPEELHP TATVLKAQFP SVAVEASGGI DATA SEQUENCE TLDNLPQFCG PHIDVISMGM LTQAAPALDF SLKLFAKEV 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.273 176.300 -0.045 0.000 2.045 4 D CA 0.000 53.977 54.000 -0.038 0.000 0.868 4 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 5 A N 3.312 126.099 122.820 -0.055 0.000 1.917 5 A HA -0.206 4.114 4.320 0.000 0.000 0.219 5 A C 1.631 179.184 177.584 -0.052 0.000 1.182 5 A CA 1.776 53.768 52.037 -0.074 0.000 0.633 5 A CB -0.455 18.498 19.000 -0.079 0.000 0.819 5 A HN 0.743 nan 8.150 nan 0.000 0.448 6 E N -0.977 119.199 120.200 -0.040 0.000 2.204 6 E HA -0.088 4.262 4.350 0.000 0.000 0.194 6 E C 1.912 178.501 176.600 -0.018 0.000 0.989 6 E CA 0.661 57.041 56.400 -0.035 0.000 0.824 6 E CB -0.281 29.399 29.700 -0.033 0.000 0.756 6 E HN 0.631 nan 8.360 nan 0.000 0.477 7 G N 0.674 109.466 108.800 -0.014 0.000 2.813 7 G HA2 -0.091 3.869 3.960 0.000 0.000 0.209 7 G HA3 -0.091 3.869 3.960 0.000 0.000 0.209 7 G C 1.395 176.304 174.900 0.015 0.000 1.150 7 G CA -0.121 44.975 45.100 -0.006 0.000 0.785 7 G HN 0.058 nan 8.290 nan 0.000 0.535 8 L N 0.990 122.234 121.223 0.035 0.000 2.275 8 L HA 0.023 4.363 4.340 0.000 0.000 0.215 8 L C 3.095 180.091 176.870 0.211 0.000 1.119 8 L CA 1.466 56.365 54.840 0.098 0.000 0.790 8 L CB -1.283 40.790 42.059 0.022 0.000 0.919 8 L HN 0.328 nan 8.230 nan 0.000 0.443 9 A N 0.176 123.086 122.820 0.150 0.000 2.024 9 A HA -0.162 4.158 4.320 0.000 0.000 0.220 9 A C 2.278 179.828 177.584 -0.057 0.000 1.164 9 A CA 1.027 53.066 52.037 0.003 0.000 0.643 9 A CB -0.547 18.408 19.000 -0.074 0.000 0.806 9 A HN 0.421 nan 8.150 nan 0.000 0.451 10 L N -0.763 120.448 121.223 -0.019 0.000 2.349 10 L HA -0.156 4.184 4.340 0.000 0.000 0.220 10 L C 2.108 178.957 176.870 -0.034 0.000 1.130 10 L CA 0.644 55.464 54.840 -0.033 0.000 0.791 10 L CB -0.618 41.429 42.059 -0.020 0.000 0.918 10 L HN 0.391 nan 8.230 nan 0.000 0.444 11 L N -0.155 121.063 121.223 -0.007 0.000 2.362 11 L HA -0.065 4.275 4.340 0.000 0.000 0.219 11 L C 0.688 177.531 176.870 -0.045 0.000 1.134 11 L CA 0.489 55.328 54.840 -0.003 0.000 0.807 11 L CB -0.086 42.013 42.059 0.068 0.000 0.927 11 L HN 0.239 nan 8.230 nan 0.000 0.447 12 L N 0.962 122.124 121.223 -0.101 0.000 2.277 12 L HA 0.354 4.694 4.340 0.000 0.000 0.284 12 L C -2.194 174.591 176.870 -0.143 0.000 1.028 12 L CA -1.982 52.763 54.840 -0.159 0.000 0.835 12 L CB 0.535 42.384 42.059 -0.349 0.000 1.215 12 L HN -0.204 nan 8.230 nan 0.000 0.425 13 P HA 0.090 nan 4.420 nan 0.000 0.268 13 P C -1.892 175.346 177.300 -0.103 0.000 1.204 13 P CA -1.067 61.980 63.100 -0.088 0.000 0.768 13 P CB 0.271 31.931 31.700 -0.068 0.000 0.842 14 P HA -0.106 nan 4.420 nan 0.000 0.219 14 P C 1.184 178.431 177.300 -0.088 0.000 1.150 14 P CA 0.974 64.016 63.100 -0.097 0.000 0.814 14 P CB 0.071 31.726 31.700 -0.075 0.000 0.787 15 V N 0.436 120.306 119.914 -0.073 0.000 2.379 15 V HA -0.171 3.949 4.120 0.000 0.000 0.245 15 V C 2.573 178.621 176.094 -0.077 0.000 1.044 15 V CA 2.452 64.712 62.300 -0.068 0.000 1.036 15 V CB -1.919 29.873 31.823 -0.053 0.000 0.664 15 V HN 0.173 nan 8.190 nan 0.000 0.453 16 T N 0.619 115.129 114.554 -0.074 0.000 2.746 16 T HA -0.138 4.212 4.350 0.000 0.000 0.267 16 T C 1.921 176.563 174.700 -0.097 0.000 1.039 16 T CA 1.475 63.533 62.100 -0.070 0.000 1.142 16 T CB -0.293 68.546 68.868 -0.048 0.000 0.866 16 T HN 0.271 nan 8.240 nan 0.000 0.444 17 L N 0.725 121.880 121.223 -0.113 0.000 2.017 17 L HA -0.120 4.220 4.340 0.000 0.000 0.208 17 L C 3.132 179.895 176.870 -0.178 0.000 1.073 17 L CA 1.378 56.134 54.840 -0.140 0.000 0.745 17 L CB -0.817 41.134 42.059 -0.180 0.000 0.894 17 L HN 0.277 nan 8.230 nan 0.000 0.432 18 A N 0.046 122.780 122.820 -0.142 0.000 1.908 18 A HA -0.205 4.115 4.320 0.000 0.000 0.218 18 A C 2.501 179.985 177.584 -0.167 0.000 1.181 18 A CA 1.922 53.878 52.037 -0.135 0.000 0.627 18 A CB -0.670 18.273 19.000 -0.095 0.000 0.818 18 A HN 0.434 nan 8.150 nan 0.000 0.445 19 A N -0.975 121.750 122.820 -0.159 0.000 1.930 19 A HA 0.058 4.378 4.320 0.000 0.000 0.217 19 A C 2.091 179.522 177.584 -0.255 0.000 1.175 19 A CA 1.607 53.548 52.037 -0.159 0.000 0.627 19 A CB -0.539 18.395 19.000 -0.110 0.000 0.815 19 A HN 0.481 nan 8.150 nan 0.000 0.443 20 L N -0.166 120.844 121.223 -0.355 0.000 1.994 20 L HA -0.115 4.225 4.340 0.000 0.000 0.208 20 L C 2.533 178.719 176.870 -1.139 0.000 1.071 20 L CA 1.794 56.233 54.840 -0.670 0.000 0.745 20 L CB -0.714 40.967 42.059 -0.630 0.000 0.892 20 L HN 0.177 nan 8.230 nan 0.000 0.431 21 V N -0.087 119.313 119.914 -0.856 0.000 2.332 21 V HA -0.329 3.791 4.120 0.000 0.000 0.248 21 V C 2.262 178.191 176.094 -0.274 0.000 1.055 21 V CA 2.010 63.978 62.300 -0.555 0.000 1.038 21 V CB -0.694 30.983 31.823 -0.243 0.000 0.651 21 V HN 0.464 nan 8.190 nan 0.000 0.450 22 D N 0.203 120.465 120.400 -0.229 0.000 2.117 22 D HA -0.141 4.500 4.640 0.000 0.000 0.197 22 D C 2.430 178.676 176.300 -0.089 0.000 0.987 22 D CA 1.803 55.729 54.000 -0.124 0.000 0.829 22 D CB -0.406 40.331 40.800 -0.104 0.000 0.961 22 D HN 0.608 nan 8.370 nan 0.000 0.460 23 S N -0.231 115.382 115.700 -0.146 0.000 2.382 23 S HA -0.161 4.309 4.470 0.000 0.000 0.228 23 S C 1.951 176.618 174.600 0.112 0.000 1.027 23 S CA 0.613 58.789 58.200 -0.041 0.000 0.991 23 S CB -0.665 62.504 63.200 -0.051 0.000 0.823 23 S HN 0.269 nan 8.310 nan 0.000 0.469 24 W N 1.670 122.970 121.300 0.001 0.000 2.388 24 W HA 0.256 4.916 4.660 0.000 0.000 0.294 24 W C 2.229 178.727 176.519 -0.034 0.000 1.212 24 W CA -0.252 57.086 57.345 -0.012 0.000 1.271 24 W CB -1.291 28.168 29.460 -0.002 0.000 1.126 24 W HN 0.335 nan 8.180 nan 0.000 0.535 25 L N -0.164 121.163 121.223 0.172 0.000 2.093 25 L HA -0.123 4.217 4.340 0.000 0.000 0.208 25 L C 2.746 179.645 176.870 0.047 0.000 1.085 25 L CA 1.291 56.172 54.840 0.068 0.000 0.755 25 L CB -0.770 41.294 42.059 0.010 0.000 0.904 25 L HN -0.096 nan 8.230 nan 0.000 0.435 26 R N 0.439 120.967 120.500 0.045 0.000 2.081 26 R HA -0.222 4.118 4.340 0.000 0.000 0.235 26 R C 2.220 178.547 176.300 0.044 0.000 1.131 26 R CA 1.722 57.841 56.100 0.032 0.000 0.960 26 R CB -0.124 30.190 30.300 0.023 0.000 0.856 26 R HN 0.370 nan 8.270 nan 0.000 0.436 27 E N 0.062 120.303 120.200 0.070 0.000 2.085 27 E HA -0.243 4.107 4.350 0.000 0.000 0.194 27 E C 1.175 177.799 176.600 0.040 0.000 0.994 27 E CA 1.856 58.292 56.400 0.061 0.000 0.801 27 E CB -0.095 29.656 29.700 0.085 0.000 0.743 27 E HN 0.270 nan 8.360 nan 0.000 0.453 28 D N -1.045 119.380 120.400 0.041 0.000 2.289 28 D HA -0.032 4.608 4.640 0.000 0.000 0.207 28 D C -0.538 175.778 176.300 0.027 0.000 0.966 28 D CA 0.314 54.329 54.000 0.025 0.000 0.868 28 D CB 0.338 41.147 40.800 0.015 0.000 0.943 28 D HN 0.071 nan 8.370 nan 0.000 0.514 29 C N 1.411 120.727 119.300 0.026 0.000 3.452 29 C HA 0.379 4.839 4.460 0.000 0.000 0.251 29 C C -1.768 173.230 174.990 0.013 0.000 1.160 29 C CA -1.146 57.885 59.018 0.021 0.000 1.328 29 C CB 0.443 28.188 27.740 0.009 0.000 1.819 29 C HN 0.127 nan 8.230 nan 0.000 0.543 30 P HA 0.167 nan 4.420 nan 0.000 0.229 30 P C 0.859 178.161 177.300 0.003 0.000 1.160 30 P CA 1.250 64.360 63.100 0.015 0.000 0.777 30 P CB 0.580 32.294 31.700 0.024 0.000 0.814 31 G N -0.292 108.505 108.800 -0.006 0.000 3.359 31 G HA2 0.454 4.414 3.960 0.000 0.000 0.187 31 G HA3 0.454 4.414 3.960 0.000 0.000 0.187 31 G C -0.837 173.999 174.900 -0.106 0.000 1.294 31 G CA -0.513 44.566 45.100 -0.035 0.000 0.769 31 G HN 0.035 nan 8.290 nan 0.000 0.733 32 L N 1.453 122.542 121.223 -0.222 0.000 2.397 32 L HA 0.291 4.631 4.340 0.000 0.000 0.271 32 L C -0.109 176.462 176.870 -0.498 0.000 1.148 32 L CA -0.529 54.046 54.840 -0.443 0.000 0.825 32 L CB 0.955 42.555 42.059 -0.764 0.000 1.117 32 L HN 0.381 nan 8.230 nan 0.000 0.456 33 N N 1.583 120.092 118.700 -0.317 0.000 3.083 33 N HA 0.105 4.845 4.740 0.000 0.000 0.260 33 N C 0.608 176.044 175.510 -0.123 0.000 1.163 33 N CA -0.148 52.813 53.050 -0.147 0.000 1.060 33 N CB 0.057 38.527 38.487 -0.029 0.000 1.345 33 N HN 0.374 nan 8.380 nan 0.000 0.515 34 Y N 1.121 121.436 120.300 0.024 0.000 2.139 34 Y HA -0.269 4.281 4.550 0.000 0.000 0.282 34 Y C 2.273 178.186 175.900 0.022 0.000 1.179 34 Y CA 1.672 59.783 58.100 0.018 0.000 1.161 34 Y CB -0.428 38.040 38.460 0.014 0.000 0.970 34 Y HN 0.552 nan 8.280 nan 0.000 0.511 35 A N 0.194 123.122 122.820 0.181 0.000 2.125 35 A HA -0.052 4.268 4.320 0.000 0.000 0.219 35 A C 2.388 180.030 177.584 0.096 0.000 1.156 35 A CA 1.260 53.370 52.037 0.122 0.000 0.671 35 A CB -1.074 17.990 19.000 0.107 0.000 0.794 35 A HN 0.449 nan 8.150 nan 0.000 0.459 36 A N 0.035 122.908 122.820 0.087 0.000 1.978 36 A HA -0.073 4.247 4.320 0.000 0.000 0.220 36 A C 2.009 179.604 177.584 0.018 0.000 1.170 36 A CA 1.435 53.523 52.037 0.086 0.000 0.636 36 A CB -0.523 18.522 19.000 0.075 0.000 0.810 36 A HN 0.510 nan 8.150 nan 0.000 0.448 37 L N -0.586 120.648 121.223 0.018 0.000 2.275 37 L HA -0.108 4.232 4.340 0.000 0.000 0.215 37 L C 2.258 179.139 176.870 0.019 0.000 1.119 37 L CA 0.566 55.410 54.840 0.006 0.000 0.790 37 L CB -0.428 41.647 42.059 0.026 0.000 0.919 37 L HN 0.254 nan 8.230 nan 0.000 0.443 38 V N -0.658 119.280 119.914 0.040 0.000 2.407 38 V HA -0.169 3.951 4.120 0.000 0.000 0.245 38 V C 2.533 178.649 176.094 0.036 0.000 1.041 38 V CA 1.866 64.189 62.300 0.040 0.000 1.040 38 V CB -0.114 31.739 31.823 0.050 0.000 0.671 38 V HN 0.579 nan 8.190 nan 0.000 0.455 39 S N -0.638 115.091 115.700 0.048 0.000 2.439 39 S HA 0.354 4.824 4.470 0.000 0.000 0.224 39 S C 1.334 175.957 174.600 0.039 0.000 1.029 39 S CA 0.634 58.865 58.200 0.052 0.000 0.946 39 S CB 0.198 63.446 63.200 0.079 0.000 0.797 39 S HN 1.189 nan 8.310 nan 0.000 0.504 40 G N 1.162 109.970 108.800 0.014 0.000 2.750 40 G HA2 0.119 4.079 3.960 0.000 0.000 0.228 40 G HA3 0.119 4.079 3.960 0.000 0.000 0.228 40 G C 0.399 175.299 174.900 0.001 0.000 1.367 40 G CA -0.179 44.900 45.100 -0.034 0.000 0.871 40 G HN 1.396 nan 8.290 nan 0.000 0.560 41 A N -0.043 122.765 122.820 -0.020 0.000 2.470 41 A HA 0.708 5.028 4.320 0.000 0.000 0.251 41 A C 1.526 179.163 177.584 0.088 0.000 1.245 41 A CA 1.397 53.490 52.037 0.092 0.000 0.932 41 A CB -0.241 18.746 19.000 -0.020 0.000 1.037 41 A HN 2.397 nan 8.150 nan 0.000 0.522 42 G N 1.326 110.152 108.800 0.043 0.000 2.321 42 G HA2 0.381 4.341 3.960 0.000 0.000 0.237 42 G HA3 0.381 4.341 3.960 0.000 0.000 0.237 42 G C -2.743 172.164 174.900 0.012 0.000 1.282 42 G CA -0.535 44.576 45.100 0.019 0.000 0.886 42 G HN 0.163 nan 8.290 nan 0.000 0.528 43 P HA 0.150 nan 4.420 nan 0.000 0.264 43 P C -0.258 177.006 177.300 -0.059 0.000 1.193 43 P CA 0.331 63.414 63.100 -0.028 0.000 0.763 43 P CB 0.990 32.674 31.700 -0.027 0.000 0.810 44 S N 2.182 117.827 115.700 -0.092 0.000 2.661 44 S HA 0.608 5.078 4.470 0.000 0.000 0.285 44 S C -0.965 173.500 174.600 -0.225 0.000 1.138 44 S CA -0.741 57.370 58.200 -0.148 0.000 0.855 44 S CB 1.660 64.791 63.200 -0.116 0.000 1.136 44 S HN 0.298 nan 8.310 nan 0.000 0.484 45 Q N 0.301 119.876 119.800 -0.375 0.000 2.397 45 Q HA 0.837 5.177 4.340 0.000 0.000 0.275 45 Q C -1.207 174.438 176.000 -0.592 0.000 1.090 45 Q CA -0.614 54.894 55.803 -0.493 0.000 0.809 45 Q CB 2.182 30.524 28.738 -0.660 0.000 1.362 45 Q HN 0.817 nan 8.270 nan 0.000 0.431 46 A N 0.767 123.404 122.820 -0.304 0.000 2.422 46 A HA 0.892 5.212 4.320 0.000 0.000 0.302 46 A C -1.316 176.348 177.584 0.133 0.000 1.041 46 A CA -0.607 51.401 52.037 -0.048 0.000 0.708 46 A CB 1.409 20.378 19.000 -0.051 0.000 1.257 46 A HN 0.721 nan 8.150 nan 0.000 0.414 47 A N 1.272 124.295 122.820 0.338 0.000 2.301 47 A HA 0.632 4.952 4.320 0.000 0.000 0.312 47 A C -0.559 176.958 177.584 -0.111 0.000 1.182 47 A CA -0.399 51.666 52.037 0.047 0.000 0.826 47 A CB 0.452 19.399 19.000 -0.088 0.000 1.134 47 A HN 1.587 nan 8.150 nan 0.000 0.501 48 L N 2.618 123.678 121.223 -0.273 0.000 2.265 48 L HA 0.654 4.994 4.340 0.000 0.000 0.288 48 L C -1.307 175.444 176.870 -0.197 0.000 1.058 48 L CA -0.167 54.590 54.840 -0.139 0.000 0.809 48 L CB 0.179 42.093 42.059 -0.242 0.000 1.179 48 L HN 0.672 nan 8.230 nan 0.000 0.429 49 W N 4.577 125.998 121.300 0.201 0.000 2.529 49 W HA 0.738 5.398 4.660 0.000 0.000 0.321 49 W C -0.238 176.442 176.519 0.269 0.000 1.047 49 W CA -0.816 56.646 57.345 0.195 0.000 1.216 49 W CB 1.825 31.364 29.460 0.132 0.000 1.357 49 W HN 0.705 nan 8.180 nan 0.000 0.489 50 A N 3.134 126.213 122.820 0.431 0.000 2.260 50 A HA 0.466 4.786 4.320 0.000 0.000 0.308 50 A C 0.320 177.944 177.584 0.066 0.000 1.254 50 A CA -0.590 51.533 52.037 0.143 0.000 0.874 50 A CB 0.621 19.706 19.000 0.142 0.000 1.153 50 A HN 0.847 nan 8.150 nan 0.000 0.527 51 K N 1.005 121.363 120.400 -0.070 0.000 2.374 51 K HA 0.214 4.534 4.320 0.000 0.000 0.202 51 K C -0.153 176.396 176.600 -0.085 0.000 1.040 51 K CA 0.295 56.560 56.287 -0.035 0.000 1.085 51 K CB 0.735 33.227 32.500 -0.014 0.000 0.873 51 K HN 0.550 nan 8.250 nan 0.000 0.539 52 S N 1.800 117.402 115.700 -0.164 0.000 2.536 52 S HA 0.445 4.915 4.470 0.000 0.000 0.298 52 S C -2.654 171.886 174.600 -0.100 0.000 1.083 52 S CA -1.395 56.725 58.200 -0.133 0.000 0.995 52 S CB 1.901 64.995 63.200 -0.177 0.000 1.058 52 S HN -0.023 nan 8.310 nan 0.000 0.488 53 P HA 0.611 nan 4.420 nan 0.000 0.276 53 P C 0.324 177.610 177.300 -0.023 0.000 1.252 53 P CA 0.084 63.169 63.100 -0.025 0.000 0.802 53 P CB 0.848 32.542 31.700 -0.010 0.000 1.035 54 G N -0.723 108.078 108.800 0.001 0.000 2.288 54 G HA2 0.180 4.140 3.960 0.000 0.000 0.227 54 G HA3 0.180 4.140 3.960 0.000 0.000 0.227 54 G C -1.828 173.094 174.900 0.036 0.000 1.339 54 G CA -0.457 44.652 45.100 0.015 0.000 1.057 54 G HN 0.470 nan 8.290 nan 0.000 0.470 55 V N 0.810 120.756 119.914 0.053 0.000 2.540 55 V HA 0.630 4.750 4.120 0.000 0.000 0.302 55 V C -0.196 175.963 176.094 0.107 0.000 1.035 55 V CA -0.660 61.676 62.300 0.060 0.000 0.873 55 V CB 1.516 33.359 31.823 0.033 0.000 0.992 55 V HN 0.923 nan 8.190 nan 0.000 0.428 56 L N 5.057 126.348 121.223 0.112 0.000 2.361 56 L HA 0.734 5.074 4.340 0.000 0.000 0.278 56 L C 0.200 177.105 176.870 0.059 0.000 1.113 56 L CA 0.553 55.481 54.840 0.146 0.000 0.849 56 L CB 0.377 42.500 42.059 0.106 0.000 1.155 56 L HN 0.858 nan 8.230 nan 0.000 0.452 57 A N 3.352 126.227 122.820 0.092 0.000 2.520 57 A HA 0.727 5.047 4.320 0.000 0.000 0.298 57 A C 0.336 178.021 177.584 0.168 0.000 1.051 57 A CA 0.091 52.182 52.037 0.091 0.000 0.690 57 A CB 1.467 20.512 19.000 0.075 0.000 1.281 57 A HN 1.563 nan 8.150 nan 0.000 0.402 58 G N 0.416 109.392 108.800 0.294 0.000 2.183 58 G HA2 -0.181 3.779 3.960 0.000 0.000 0.168 58 G HA3 -0.181 3.779 3.960 0.000 0.000 0.168 58 G C 0.672 175.711 174.900 0.231 0.000 1.008 58 G CA 0.503 45.844 45.100 0.402 0.000 0.677 58 G HN 0.735 nan 8.290 nan 0.000 0.498 59 Q N 0.116 119.855 119.800 -0.101 0.000 2.096 59 Q HA -0.143 4.197 4.340 0.000 0.000 0.208 59 Q C -0.326 175.671 176.000 -0.005 0.000 0.993 59 Q CA 2.192 57.789 55.803 -0.342 0.000 0.862 59 Q CB -0.543 27.570 28.738 -1.041 0.000 0.915 59 Q HN 0.517 nan 8.270 nan 0.000 0.416 60 P HA -0.155 nan 4.420 nan 0.000 0.218 60 P C 0.670 177.829 177.300 -0.235 0.000 1.149 60 P CA 1.283 64.211 63.100 -0.286 0.000 0.817 60 P CB -0.130 31.187 31.700 -0.639 0.000 0.785 61 F N -2.183 117.795 119.950 0.046 0.000 2.128 61 F HA -0.021 4.507 4.527 0.000 0.000 0.295 61 F C 2.326 178.278 175.800 0.252 0.000 1.100 61 F CA 0.797 58.888 58.000 0.152 0.000 1.260 61 F CB -1.250 37.885 39.000 0.224 0.000 1.009 61 F HN -0.187 nan 8.300 nan 0.000 0.476 62 F N 1.555 121.719 119.950 0.358 0.000 2.095 62 F HA -0.268 4.259 4.527 0.000 0.000 0.298 62 F C 2.099 178.117 175.800 0.363 0.000 1.104 62 F CA 1.793 60.006 58.000 0.354 0.000 1.232 62 F CB -0.370 38.915 39.000 0.476 0.000 0.987 62 F HN -0.114 nan 8.300 nan 0.000 0.475 63 D N 0.396 121.166 120.400 0.616 0.000 2.097 63 D HA -0.181 4.459 4.640 0.000 0.000 0.195 63 D C 2.355 178.782 176.300 0.211 0.000 0.989 63 D CA 1.522 55.780 54.000 0.431 0.000 0.827 63 D CB -0.763 40.246 40.800 0.350 0.000 0.966 63 D HN 0.381 nan 8.370 nan 0.000 0.456 64 A N 0.474 123.368 122.820 0.123 0.000 1.933 64 A HA -0.143 4.177 4.320 0.000 0.000 0.218 64 A C 2.370 179.954 177.584 0.001 0.000 1.175 64 A CA 0.933 52.989 52.037 0.031 0.000 0.628 64 A CB -0.713 18.274 19.000 -0.022 0.000 0.814 64 A HN 0.202 nan 8.150 nan 0.000 0.444 65 I N -1.838 118.719 120.570 -0.022 0.000 2.142 65 I HA -0.262 3.908 4.170 0.000 0.000 0.240 65 I C 2.272 178.222 176.117 -0.279 0.000 1.078 65 I CA 1.592 62.779 61.300 -0.187 0.000 1.343 65 I CB -0.389 37.407 38.000 -0.339 0.000 1.046 65 I HN 0.348 nan 8.210 nan 0.000 0.405 66 F N 0.373 120.260 119.950 -0.104 0.000 2.234 66 F HA -0.179 4.348 4.527 0.000 0.000 0.299 66 F C 2.655 178.415 175.800 -0.067 0.000 1.087 66 F CA 1.250 59.181 58.000 -0.115 0.000 1.340 66 F CB -0.640 38.266 39.000 -0.156 0.000 1.031 66 F HN -0.010 nan 8.300 nan 0.000 0.500 67 T N -0.751 113.874 114.554 0.119 0.000 2.746 67 T HA -0.198 4.152 4.350 0.000 0.000 0.267 67 T C 1.917 176.628 174.700 0.018 0.000 1.039 67 T CA 1.119 63.255 62.100 0.060 0.000 1.142 67 T CB -0.233 68.661 68.868 0.043 0.000 0.866 67 T HN 0.138 nan 8.240 nan 0.000 0.444 68 Q N 0.557 120.350 119.800 -0.012 0.000 2.297 68 Q HA 0.070 4.410 4.340 0.000 0.000 0.208 68 Q C 1.716 177.699 176.000 -0.029 0.000 0.981 68 Q CA 0.891 56.675 55.803 -0.033 0.000 0.876 68 Q CB -0.334 28.369 28.738 -0.058 0.000 0.921 68 Q HN 0.508 nan 8.270 nan 0.000 0.446 69 L N 0.586 121.799 121.223 -0.017 0.000 2.818 69 L HA 0.154 4.494 4.340 0.000 0.000 0.243 69 L C -0.239 176.630 176.870 -0.001 0.000 1.185 69 L CA -0.295 54.535 54.840 -0.018 0.000 0.988 69 L CB 0.019 42.065 42.059 -0.022 0.000 1.292 69 L HN 0.105 nan 8.230 nan 0.000 0.519 70 N N -0.448 118.259 118.700 0.011 0.000 2.735 70 N HA -0.171 4.569 4.740 0.000 0.000 0.248 70 N C -0.422 175.091 175.510 0.005 0.000 1.083 70 N CA 0.660 53.714 53.050 0.006 0.000 0.703 70 N CB -1.831 36.653 38.487 -0.005 0.000 1.005 70 N HN 0.309 nan 8.380 nan 0.000 0.550 71 C N 0.218 119.541 119.300 0.039 0.000 2.562 71 C HA 0.571 5.031 4.460 0.000 0.000 0.332 71 C C 0.537 175.521 174.990 -0.010 0.000 1.201 71 C CA -0.716 58.299 59.018 -0.005 0.000 1.803 71 C CB 2.025 29.758 27.740 -0.011 0.000 2.328 71 C HN 0.266 nan 8.230 nan 0.000 0.500 72 Q N 0.624 120.374 119.800 -0.083 0.000 2.342 72 Q HA 0.734 5.074 4.340 0.000 0.000 0.267 72 Q C -1.115 174.794 176.000 -0.152 0.000 1.038 72 Q CA -0.372 55.389 55.803 -0.069 0.000 0.832 72 Q CB 1.766 30.471 28.738 -0.055 0.000 1.323 72 Q HN 0.536 nan 8.270 nan 0.000 0.448 73 V N 1.350 121.191 119.914 -0.122 0.000 2.448 73 V HA 0.586 4.706 4.120 0.000 0.000 0.295 73 V C -0.654 175.244 176.094 -0.326 0.000 1.025 73 V CA -0.739 61.387 62.300 -0.290 0.000 0.859 73 V CB 1.939 33.623 31.823 -0.232 0.000 0.988 73 V HN 0.750 nan 8.190 nan 0.000 0.431 74 S N 3.830 119.249 115.700 -0.468 0.000 2.474 74 S HA 0.515 4.985 4.470 0.000 0.000 0.321 74 S C -0.995 173.157 174.600 -0.747 0.000 1.080 74 S CA -0.542 57.433 58.200 -0.376 0.000 1.106 74 S CB 0.599 63.702 63.200 -0.163 0.000 0.984 74 S HN 0.637 nan 8.310 nan 0.000 0.464 75 W N 2.661 123.765 121.300 -0.327 0.000 2.351 75 W HA 0.436 5.096 4.660 0.000 0.000 0.311 75 W C 0.151 176.536 176.519 -0.222 0.000 1.168 75 W CA -0.836 56.279 57.345 -0.383 0.000 1.200 75 W CB 0.326 29.672 29.460 -0.190 0.000 1.221 75 W HN 0.651 nan 8.180 nan 0.000 0.519 76 F N 1.717 121.761 119.950 0.157 0.000 2.749 76 F HA 0.346 4.873 4.527 0.000 0.000 0.300 76 F C 0.338 176.197 175.800 0.097 0.000 1.103 76 F CA -0.406 57.641 58.000 0.079 0.000 1.342 76 F CB -0.530 38.470 39.000 -0.001 0.000 1.098 76 F HN -0.054 nan 8.300 nan 0.000 0.586 77 L N 1.812 123.198 121.223 0.273 0.000 2.408 77 L HA 0.460 4.800 4.340 0.000 0.000 0.268 77 L C -2.416 174.508 176.870 0.089 0.000 0.986 77 L CA -2.144 52.797 54.840 0.169 0.000 0.820 77 L CB 2.557 44.709 42.059 0.155 0.000 1.303 77 L HN -0.306 nan 8.230 nan 0.000 0.411 78 P HA 0.041 nan 4.420 nan 0.000 0.272 78 P C -0.693 176.544 177.300 -0.104 0.000 1.230 78 P CA -0.389 62.686 63.100 -0.042 0.000 0.788 78 P CB 0.747 32.437 31.700 -0.016 0.000 0.949 79 E N 0.667 120.760 120.200 -0.178 0.000 2.452 79 E HA 0.244 4.594 4.350 0.000 0.000 0.261 79 E C 1.316 177.863 176.600 -0.088 0.000 0.987 79 E CA 1.571 57.868 56.400 -0.171 0.000 0.926 79 E CB -0.777 28.830 29.700 -0.154 0.000 0.934 79 E HN 0.772 nan 8.360 nan 0.000 0.452 80 G N 2.991 111.751 108.800 -0.067 0.000 2.176 80 G HA2 -0.281 3.679 3.960 0.000 0.000 0.253 80 G HA3 -0.281 3.679 3.960 0.000 0.000 0.253 80 G C 0.240 175.132 174.900 -0.014 0.000 0.979 80 G CA 0.228 45.303 45.100 -0.042 0.000 0.641 80 G HN 0.602 nan 8.290 nan 0.000 0.530 81 S N 1.522 117.221 115.700 -0.002 0.000 2.568 81 S HA 0.411 4.881 4.470 0.000 0.000 0.282 81 S C 0.649 175.272 174.600 0.038 0.000 1.338 81 S CA -0.197 58.017 58.200 0.023 0.000 1.045 81 S CB 0.911 64.136 63.200 0.042 0.000 0.873 81 S HN 0.342 nan 8.310 nan 0.000 0.516 82 K N 2.473 122.895 120.400 0.036 0.000 2.412 82 K HA 0.213 4.533 4.320 0.000 0.000 0.281 82 K C -0.344 176.289 176.600 0.055 0.000 1.027 82 K CA 0.140 56.452 56.287 0.040 0.000 0.989 82 K CB 0.063 32.581 32.500 0.030 0.000 0.935 82 K HN 0.499 nan 8.250 nan 0.000 0.475 83 L N 2.783 124.040 121.223 0.058 0.000 2.276 83 L HA 0.265 4.605 4.340 0.000 0.000 0.286 83 L C -0.131 176.766 176.870 0.045 0.000 1.061 83 L CA -0.922 53.957 54.840 0.066 0.000 0.807 83 L CB 1.127 43.221 42.059 0.060 0.000 1.177 83 L HN 0.149 nan 8.230 nan 0.000 0.429 84 V N 4.769 124.717 119.914 0.057 0.000 2.284 84 V HA 0.282 4.402 4.120 0.000 0.000 0.274 84 V C -1.915 174.214 176.094 0.058 0.000 1.023 84 V CA -1.493 60.835 62.300 0.047 0.000 0.808 84 V CB 0.943 32.794 31.823 0.046 0.000 1.035 84 V HN 0.617 nan 8.190 nan 0.000 0.445 85 P HA 0.213 nan 4.420 nan 0.000 0.272 85 P C -0.382 176.951 177.300 0.055 0.000 1.223 85 P CA -0.053 63.079 63.100 0.053 0.000 0.784 85 P CB 1.274 32.983 31.700 0.014 0.000 0.923 86 V N 1.731 121.689 119.914 0.072 0.000 2.461 86 V HA 0.475 4.595 4.120 0.000 0.000 0.275 86 V C 0.654 176.899 176.094 0.252 0.000 1.047 86 V CA -0.263 62.116 62.300 0.133 0.000 0.955 86 V CB 0.472 32.330 31.823 0.057 0.000 0.988 86 V HN 0.780 nan 8.190 nan 0.000 0.471 87 A N 5.372 128.375 122.820 0.306 0.000 2.342 87 A HA 0.684 5.004 4.320 0.000 0.000 0.323 87 A C -0.035 177.721 177.584 0.288 0.000 1.125 87 A CA -0.849 51.355 52.037 0.280 0.000 0.785 87 A CB 0.863 19.972 19.000 0.182 0.000 1.221 87 A HN 0.807 nan 8.150 nan 0.000 0.463 88 R N 2.867 123.414 120.500 0.077 0.000 2.242 88 R HA 0.364 4.704 4.340 0.000 0.000 0.334 88 R C -0.204 176.112 176.300 0.027 0.000 1.071 88 R CA -0.160 55.756 56.100 -0.306 0.000 0.922 88 R CB 0.433 30.445 30.300 -0.480 0.000 1.023 88 R HN 0.517 nan 8.270 nan 0.000 0.458 89 V N 3.511 123.407 119.914 -0.029 0.000 2.795 89 V HA 0.271 4.391 4.120 0.000 0.000 0.243 89 V C 0.613 176.570 176.094 -0.227 0.000 1.069 89 V CA 1.296 63.626 62.300 0.051 0.000 1.089 89 V CB 0.185 32.086 31.823 0.129 0.000 0.756 89 V HN 0.879 nan 8.190 nan 0.000 0.471 90 A N -0.503 121.959 122.820 -0.596 0.000 2.586 90 A HA 0.692 5.012 4.320 0.000 0.000 0.290 90 A C -1.312 175.740 177.584 -0.888 0.000 1.086 90 A CA -0.486 50.811 52.037 -1.233 0.000 0.665 90 A CB 1.555 19.707 19.000 -1.413 0.000 1.279 90 A HN 0.155 nan 8.150 nan 0.000 0.423 91 E N 0.361 120.037 120.200 -0.874 0.000 2.210 91 E HA 0.619 4.969 4.350 0.000 0.000 0.266 91 E C -1.612 174.747 176.600 -0.402 0.000 0.883 91 E CA -0.575 55.621 56.400 -0.339 0.000 0.761 91 E CB 1.897 31.605 29.700 0.013 0.000 1.156 91 E HN 0.501 nan 8.360 nan 0.000 0.412 92 V N 4.564 124.276 119.914 -0.337 0.000 2.483 92 V HA 0.551 4.671 4.120 0.000 0.000 0.295 92 V C -0.049 175.846 176.094 -0.332 0.000 1.035 92 V CA -0.670 61.375 62.300 -0.426 0.000 0.896 92 V CB 1.514 32.933 31.823 -0.674 0.000 0.986 92 V HN 0.674 nan 8.190 nan 0.000 0.447 93 R N 2.171 122.497 120.500 -0.291 0.000 2.686 93 R HA 0.847 5.187 4.340 0.000 0.000 0.286 93 R C -0.067 176.126 176.300 -0.179 0.000 0.969 93 R CA -0.476 55.498 56.100 -0.210 0.000 0.898 93 R CB 2.418 32.631 30.300 -0.146 0.000 1.183 93 R HN 1.046 nan 8.270 nan 0.000 0.456 94 G N 2.033 110.748 108.800 -0.141 0.000 2.324 94 G HA2 0.147 4.107 3.960 0.000 0.000 0.293 94 G HA3 0.147 4.107 3.960 0.000 0.000 0.293 94 G C -3.185 171.671 174.900 -0.074 0.000 1.297 94 G CA -1.040 44.001 45.100 -0.098 0.000 0.853 94 G HN 0.250 nan 8.290 nan 0.000 0.535 95 P HA 0.338 nan 4.420 nan 0.000 0.265 95 P C 1.017 178.316 177.300 -0.002 0.000 1.193 95 P CA 0.765 63.873 63.100 0.014 0.000 0.765 95 P CB 1.143 32.878 31.700 0.057 0.000 0.823 96 A N 4.379 127.241 122.820 0.070 0.000 1.892 96 A HA -0.264 4.056 4.320 0.000 0.000 0.218 96 A C 1.973 179.601 177.584 0.072 0.000 1.188 96 A CA 2.034 54.102 52.037 0.051 0.000 0.631 96 A CB -1.758 17.278 19.000 0.060 0.000 0.822 96 A HN 0.785 nan 8.150 nan 0.000 0.447 97 H N -1.007 118.069 119.070 0.011 0.000 2.421 97 H HA -0.106 4.450 4.556 0.000 0.000 0.298 97 H C 2.124 177.472 175.328 0.034 0.000 1.087 97 H CA 1.646 57.706 56.048 0.021 0.000 1.330 97 H CB -1.296 28.473 29.762 0.012 0.000 1.388 97 H HN 0.432 nan 8.280 nan 0.000 0.526 98 C N 1.241 120.168 119.300 -0.622 0.000 2.446 98 C HA 0.003 4.463 4.460 0.000 0.000 0.277 98 C C 3.299 178.263 174.990 -0.042 0.000 1.275 98 C CA 0.415 59.215 59.018 -0.364 0.000 1.727 98 C CB -1.070 26.465 27.740 -0.341 0.000 2.010 98 C HN 0.457 nan 8.230 nan 0.000 0.486 99 L N 0.468 121.686 121.223 -0.008 0.000 2.013 99 L HA -0.206 4.134 4.340 0.000 0.000 0.212 99 L C 2.490 179.466 176.870 0.176 0.000 1.073 99 L CA 1.638 56.537 54.840 0.099 0.000 0.753 99 L CB -0.613 41.419 42.059 -0.044 0.000 0.890 99 L HN 0.413 nan 8.230 nan 0.000 0.432 100 L N -1.085 120.189 121.223 0.085 0.000 2.240 100 L HA -0.159 4.181 4.340 0.000 0.000 0.211 100 L C 2.430 179.341 176.870 0.069 0.000 1.106 100 L CA 0.190 55.083 54.840 0.088 0.000 0.793 100 L CB -0.294 41.812 42.059 0.078 0.000 0.927 100 L HN 0.265 nan 8.230 nan 0.000 0.446 101 L N 0.361 121.608 121.223 0.040 0.000 2.093 101 L HA -0.002 4.338 4.340 0.000 0.000 0.208 101 L C 2.225 179.070 176.870 -0.043 0.000 1.085 101 L CA 1.947 56.790 54.840 0.004 0.000 0.755 101 L CB -0.867 41.180 42.059 -0.021 0.000 0.904 101 L HN 0.081 nan 8.230 nan 0.000 0.435 102 G N -1.440 107.319 108.800 -0.068 0.000 2.551 102 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 102 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 102 G C 1.366 176.096 174.900 -0.285 0.000 1.137 102 G CA 0.510 45.397 45.100 -0.355 0.000 0.798 102 G HN 0.523 nan 8.290 nan 0.000 0.536 103 E N 0.497 120.720 120.200 0.039 0.000 2.055 103 E HA -0.313 4.037 4.350 0.000 0.000 0.209 103 E C 2.453 179.084 176.600 0.051 0.000 1.036 103 E CA 1.623 58.107 56.400 0.140 0.000 0.849 103 E CB -0.104 29.690 29.700 0.156 0.000 0.767 103 E HN 0.287 nan 8.360 nan 0.000 0.461 104 R N 0.112 120.625 120.500 0.021 0.000 2.066 104 R HA -0.087 4.253 4.340 0.000 0.000 0.232 104 R C 2.340 178.622 176.300 -0.030 0.000 1.131 104 R CA 1.533 57.643 56.100 0.016 0.000 0.955 104 R CB -0.703 29.604 30.300 0.011 0.000 0.851 104 R HN 0.169 nan 8.270 nan 0.000 0.432 105 V N 0.842 120.710 119.914 -0.076 0.000 2.332 105 V HA -0.246 3.874 4.120 0.000 0.000 0.248 105 V C 2.336 178.359 176.094 -0.118 0.000 1.055 105 V CA 2.048 64.283 62.300 -0.109 0.000 1.038 105 V CB -0.926 30.858 31.823 -0.065 0.000 0.651 105 V HN 0.561 nan 8.190 nan 0.000 0.450 106 A N -0.442 122.268 122.820 -0.183 0.000 1.898 106 A HA -0.119 4.201 4.320 0.000 0.000 0.216 106 A C 2.204 179.854 177.584 0.110 0.000 1.181 106 A CA 1.662 53.578 52.037 -0.201 0.000 0.620 106 A CB -0.492 18.065 19.000 -0.739 0.000 0.819 106 A HN 0.497 nan 8.150 nan 0.000 0.442 107 L N -0.242 121.069 121.223 0.147 0.000 2.046 107 L HA -0.202 4.138 4.340 0.000 0.000 0.208 107 L C 2.311 179.279 176.870 0.163 0.000 1.077 107 L CA 1.209 56.186 54.840 0.228 0.000 0.747 107 L CB -0.712 41.488 42.059 0.236 0.000 0.896 107 L HN 0.355 nan 8.230 nan 0.000 0.432 108 N N -0.420 118.314 118.700 0.057 0.000 2.104 108 N HA -0.150 4.590 4.740 0.000 0.000 0.190 108 N C 1.839 177.343 175.510 -0.011 0.000 1.024 108 N CA 1.930 54.971 53.050 -0.016 0.000 0.853 108 N CB -0.625 37.780 38.487 -0.138 0.000 1.008 108 N HN 0.291 nan 8.380 nan 0.000 0.424 109 T N 1.504 116.046 114.554 -0.019 0.000 2.701 109 T HA -0.070 4.280 4.350 0.000 0.000 0.263 109 T C 2.013 176.808 174.700 0.158 0.000 1.040 109 T CA 0.555 62.685 62.100 0.051 0.000 1.147 109 T CB -0.407 68.448 68.868 -0.021 0.000 0.865 109 T HN 0.057 nan 8.240 nan 0.000 0.426 110 L N 1.190 122.526 121.223 0.187 0.000 2.083 110 L HA 0.085 4.425 4.340 0.000 0.000 0.209 110 L C 2.615 179.612 176.870 0.211 0.000 1.083 110 L CA 1.602 56.513 54.840 0.119 0.000 0.752 110 L CB -0.853 41.144 42.059 -0.103 0.000 0.899 110 L HN 0.241 nan 8.230 nan 0.000 0.433 111 A N -0.609 122.401 122.820 0.316 0.000 1.902 111 A HA -0.213 4.107 4.320 0.000 0.000 0.217 111 A C 2.430 180.184 177.584 0.284 0.000 1.181 111 A CA 1.833 54.145 52.037 0.459 0.000 0.623 111 A CB -0.456 18.750 19.000 0.344 0.000 0.818 111 A HN 0.461 nan 8.150 nan 0.000 0.443 112 R N -1.586 119.040 120.500 0.210 0.000 2.062 112 R HA -0.066 4.274 4.340 0.000 0.000 0.226 112 R C 2.369 178.784 176.300 0.192 0.000 1.125 112 R CA 1.205 57.420 56.100 0.191 0.000 0.966 112 R CB -0.841 29.595 30.300 0.227 0.000 0.861 112 R HN 0.623 nan 8.270 nan 0.000 0.433 113 C N 0.389 119.799 119.300 0.183 0.000 2.413 113 C HA -0.126 4.334 4.460 0.000 0.000 0.276 113 C C 2.694 177.777 174.990 0.155 0.000 1.236 113 C CA 1.499 60.600 59.018 0.139 0.000 1.735 113 C CB -0.765 27.068 27.740 0.156 0.000 2.031 113 C HN 0.473 nan 8.230 nan 0.000 0.474 114 S N 0.213 116.040 115.700 0.212 0.000 2.382 114 S HA -0.031 4.439 4.470 0.000 0.000 0.228 114 S C 1.981 176.675 174.600 0.157 0.000 1.027 114 S CA 1.366 59.699 58.200 0.221 0.000 0.991 114 S CB -0.739 62.709 63.200 0.413 0.000 0.823 114 S HN 0.834 nan 8.310 nan 0.000 0.469 115 G N 1.715 110.607 108.800 0.154 0.000 2.418 115 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 115 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 115 G C 1.336 176.279 174.900 0.073 0.000 1.158 115 G CA 0.718 45.876 45.100 0.097 0.000 0.771 115 G HN 0.488 nan 8.290 nan 0.000 0.545 116 I N 1.298 121.915 120.570 0.079 0.000 2.202 116 I HA -0.121 4.049 4.170 0.000 0.000 0.242 116 I C 3.290 179.430 176.117 0.038 0.000 1.091 116 I CA 0.921 62.254 61.300 0.056 0.000 1.368 116 I CB -0.214 37.822 38.000 0.059 0.000 1.058 116 I HN 0.232 nan 8.210 nan 0.000 0.410 117 A N 0.213 123.057 122.820 0.040 0.000 1.940 117 A HA -0.211 4.109 4.320 0.000 0.000 0.219 117 A C 2.481 180.078 177.584 0.020 0.000 1.176 117 A CA 2.296 54.342 52.037 0.015 0.000 0.631 117 A CB -0.745 18.261 19.000 0.009 0.000 0.814 117 A HN 0.409 nan 8.150 nan 0.000 0.446 118 S N -0.007 115.716 115.700 0.037 0.000 2.356 118 S HA -0.049 4.421 4.470 0.000 0.000 0.223 118 S C 2.338 176.952 174.600 0.023 0.000 1.032 118 S CA 1.238 59.456 58.200 0.031 0.000 1.005 118 S CB -0.554 62.666 63.200 0.034 0.000 0.867 118 S HN 0.821 nan 8.310 nan 0.000 0.449 119 A N 1.789 124.624 122.820 0.024 0.000 1.877 119 A HA 0.078 4.398 4.320 0.000 0.000 0.216 119 A C 2.393 179.987 177.584 0.017 0.000 1.186 119 A CA 1.792 53.840 52.037 0.020 0.000 0.620 119 A CB -1.224 17.788 19.000 0.020 0.000 0.822 119 A HN 0.520 nan 8.150 nan 0.000 0.443 120 A N -0.115 122.714 122.820 0.016 0.000 1.883 120 A HA 0.092 4.412 4.320 0.000 0.000 0.217 120 A C 2.522 180.115 177.584 0.014 0.000 1.186 120 A CA 2.376 54.421 52.037 0.013 0.000 0.624 120 A CB -1.078 17.924 19.000 0.003 0.000 0.822 120 A HN 1.118 nan 8.150 nan 0.000 0.444 121 A N -0.341 122.485 122.820 0.011 0.000 1.930 121 A HA 0.193 4.513 4.320 0.000 0.000 0.217 121 A C 2.501 180.097 177.584 0.020 0.000 1.175 121 A CA 2.019 54.063 52.037 0.011 0.000 0.627 121 A CB -0.982 18.022 19.000 0.008 0.000 0.815 121 A HN 1.075 nan 8.150 nan 0.000 0.443 122 A N -0.062 122.770 122.820 0.020 0.000 1.902 122 A HA 0.148 4.468 4.320 0.000 0.000 0.217 122 A C 2.503 180.104 177.584 0.029 0.000 1.181 122 A CA 2.117 54.168 52.037 0.022 0.000 0.623 122 A CB -0.999 18.012 19.000 0.019 0.000 0.818 122 A HN 1.026 nan 8.150 nan 0.000 0.443 123 A N -0.595 122.242 122.820 0.029 0.000 1.877 123 A HA 0.003 4.324 4.320 0.000 0.000 0.216 123 A C 2.231 179.853 177.584 0.063 0.000 1.186 123 A CA 1.763 53.822 52.037 0.037 0.000 0.620 123 A CB -0.981 18.036 19.000 0.029 0.000 0.822 123 A HN 0.393 nan 8.150 nan 0.000 0.443 124 V N 0.236 120.188 119.914 0.063 0.000 2.332 124 V HA -0.258 3.862 4.120 0.000 0.000 0.248 124 V C 2.647 178.789 176.094 0.080 0.000 1.055 124 V CA 2.498 64.847 62.300 0.081 0.000 1.038 124 V CB -0.725 31.126 31.823 0.046 0.000 0.651 124 V HN 0.742 nan 8.190 nan 0.000 0.450 125 E N 0.942 121.175 120.200 0.055 0.000 2.051 125 E HA -0.184 4.166 4.350 0.000 0.000 0.192 125 E C 2.121 178.756 176.600 0.058 0.000 0.991 125 E CA 1.817 58.246 56.400 0.049 0.000 0.799 125 E CB -0.561 29.159 29.700 0.034 0.000 0.748 125 E HN 0.494 nan 8.360 nan 0.000 0.449 126 A N 0.827 123.681 122.820 0.056 0.000 1.902 126 A HA -0.050 4.270 4.320 0.000 0.000 0.217 126 A C 2.465 180.095 177.584 0.078 0.000 1.181 126 A CA 2.271 54.340 52.037 0.054 0.000 0.623 126 A CB -1.082 17.942 19.000 0.040 0.000 0.818 126 A HN 0.403 nan 8.150 nan 0.000 0.443 127 A N -0.403 122.488 122.820 0.117 0.000 1.877 127 A HA -0.162 4.158 4.320 0.000 0.000 0.216 127 A C 2.271 179.997 177.584 0.237 0.000 1.186 127 A CA 1.729 53.893 52.037 0.211 0.000 0.620 127 A CB -0.507 18.719 19.000 0.378 0.000 0.822 127 A HN 0.551 nan 8.150 nan 0.000 0.443 128 R N -0.563 120.039 120.500 0.169 0.000 2.081 128 R HA -0.107 4.233 4.340 0.000 0.000 0.235 128 R C 2.212 178.568 176.300 0.094 0.000 1.131 128 R CA 1.494 57.667 56.100 0.122 0.000 0.960 128 R CB -0.668 29.679 30.300 0.078 0.000 0.856 128 R HN 0.462 nan 8.270 nan 0.000 0.436 129 G N -0.263 108.583 108.800 0.077 0.000 2.448 129 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 129 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 129 G C 1.291 176.226 174.900 0.058 0.000 1.127 129 G CA 0.651 45.784 45.100 0.056 0.000 0.766 129 G HN 0.461 nan 8.290 nan 0.000 0.552 130 A N -0.300 122.568 122.820 0.080 0.000 2.238 130 A HA 0.464 4.784 4.320 0.000 0.000 0.208 130 A C 2.005 179.650 177.584 0.102 0.000 1.177 130 A CA 1.245 53.326 52.037 0.074 0.000 0.804 130 A CB -0.453 18.584 19.000 0.061 0.000 0.823 130 A HN 1.556 nan 8.150 nan 0.000 0.482 131 G N -2.572 106.298 108.800 0.116 0.000 2.143 131 G HA2 -0.288 3.672 3.960 0.000 0.000 0.248 131 G HA3 -0.288 3.672 3.960 0.000 0.000 0.248 131 G C -0.176 174.825 174.900 0.169 0.000 0.991 131 G CA 0.270 45.434 45.100 0.106 0.000 0.689 131 G HN 0.707 nan 8.290 nan 0.000 0.522 132 W N 1.609 122.911 121.300 0.003 0.000 2.351 132 W HA 0.587 5.247 4.660 0.000 0.000 0.311 132 W C 1.412 177.943 176.519 0.020 0.000 1.168 132 W CA 0.148 57.498 57.345 0.008 0.000 1.200 132 W CB 1.203 30.678 29.460 0.026 0.000 1.221 132 W HN 0.354 nan 8.180 nan 0.000 0.519 133 T N 1.733 116.005 114.554 -0.471 0.000 3.092 133 T HA 0.334 4.684 4.350 0.000 0.000 0.258 133 T C 0.784 175.049 174.700 -0.726 0.000 1.031 133 T CA 0.091 61.933 62.100 -0.429 0.000 0.925 133 T CB -0.182 68.534 68.868 -0.254 0.000 1.036 133 T HN 0.440 nan 8.240 nan 0.000 0.544 134 G N 0.375 108.147 108.800 -1.712 0.000 2.553 134 G HA2 0.444 4.404 3.960 0.000 0.000 0.278 134 G HA3 0.444 4.404 3.960 0.000 0.000 0.278 134 G C -0.966 173.408 174.900 -0.876 0.000 1.349 134 G CA -0.830 43.232 45.100 -1.729 0.000 1.037 134 G HN 0.670 nan 8.290 nan 0.000 0.508 135 H N -1.517 117.261 119.070 -0.488 0.000 2.476 135 H HA 0.368 4.924 4.556 0.000 0.000 0.328 135 H C -0.512 174.929 175.328 0.188 0.000 1.073 135 H CA -1.039 54.957 56.048 -0.087 0.000 1.229 135 H CB 2.038 31.753 29.762 -0.078 0.000 1.432 135 H HN 0.160 nan 8.280 nan 0.000 0.477 136 V N 2.753 122.863 119.914 0.326 0.000 2.555 136 V HA 0.394 4.514 4.120 0.000 0.000 0.286 136 V C 0.332 176.479 176.094 0.088 0.000 1.044 136 V CA -0.117 62.316 62.300 0.222 0.000 1.026 136 V CB 0.773 32.697 31.823 0.168 0.000 0.981 136 V HN 0.892 nan 8.190 nan 0.000 0.480 137 A N 3.830 126.663 122.820 0.021 0.000 2.454 137 A HA 0.912 5.232 4.320 0.000 0.000 0.302 137 A C 0.179 177.766 177.584 0.005 0.000 1.079 137 A CA -0.056 51.960 52.037 -0.035 0.000 0.731 137 A CB 1.712 20.538 19.000 -0.290 0.000 1.299 137 A HN 0.961 nan 8.150 nan 0.000 0.413 138 G N -0.495 108.338 108.800 0.056 0.000 2.531 138 G HA2 0.663 4.623 3.960 0.000 0.000 0.281 138 G HA3 0.663 4.623 3.960 0.000 0.000 0.281 138 G C 0.134 175.097 174.900 0.104 0.000 1.382 138 G CA 0.327 45.465 45.100 0.063 0.000 1.045 138 G HN 1.595 nan 8.290 nan 0.000 0.533 139 T N -4.033 110.564 114.554 0.071 0.000 2.696 139 T HA 0.428 4.778 4.350 0.000 0.000 0.291 139 T C 0.534 175.244 174.700 0.016 0.000 1.095 139 T CA -0.818 61.322 62.100 0.067 0.000 1.026 139 T CB 1.761 70.656 68.868 0.045 0.000 1.390 139 T HN 0.283 nan 8.240 nan 0.000 0.513 140 R N -0.012 120.488 120.500 0.000 0.000 2.320 140 R HA 0.195 4.535 4.340 0.000 0.000 0.211 140 R C 0.291 176.576 176.300 -0.025 0.000 0.931 140 R CA 0.045 56.123 56.100 -0.038 0.000 1.071 140 R CB -0.100 30.180 30.300 -0.032 0.000 1.025 140 R HN 0.423 nan 8.270 nan 0.000 0.495 141 K N 1.676 122.072 120.400 -0.007 0.000 2.480 141 K HA 0.018 4.338 4.320 0.000 0.000 0.241 141 K C -0.149 176.453 176.600 0.002 0.000 1.261 141 K CA 0.090 56.376 56.287 -0.001 0.000 1.193 141 K CB 0.194 32.696 32.500 0.004 0.000 1.598 141 K HN 0.110 nan 8.250 nan 0.000 0.278 142 T N -2.804 111.748 114.554 -0.004 0.000 2.942 142 T HA 0.262 4.612 4.350 0.000 0.000 0.289 142 T C 0.329 175.050 174.700 0.036 0.000 1.044 142 T CA -0.941 61.167 62.100 0.013 0.000 1.023 142 T CB 1.529 70.384 68.868 -0.021 0.000 1.123 142 T HN -0.002 nan 8.240 nan 0.000 0.512 143 T N 3.885 118.487 114.554 0.080 0.000 2.799 143 T HA 0.290 4.640 4.350 0.000 0.000 0.296 143 T C -2.352 172.405 174.700 0.096 0.000 0.947 143 T CA -0.463 61.682 62.100 0.076 0.000 1.141 143 T CB -0.069 68.846 68.868 0.079 0.000 0.891 143 T HN 0.456 nan 8.240 nan 0.000 0.533 144 P HA 0.128 nan 4.420 nan 0.000 0.261 144 P C 1.131 178.497 177.300 0.110 0.000 1.173 144 P CA 1.021 64.159 63.100 0.063 0.000 0.760 144 P CB 0.147 31.870 31.700 0.039 0.000 0.783 145 G N 2.275 111.154 108.800 0.132 0.000 2.234 145 G HA2 -0.331 3.629 3.960 0.000 0.000 0.260 145 G HA3 -0.331 3.629 3.960 0.000 0.000 0.260 145 G C 0.476 175.573 174.900 0.329 0.000 0.987 145 G CA -0.049 45.169 45.100 0.197 0.000 0.625 145 G HN 0.518 nan 8.290 nan 0.000 0.532 146 F N 1.045 121.038 119.950 0.072 0.000 2.683 146 F HA 0.469 4.997 4.527 0.000 0.000 0.306 146 F C 1.921 177.740 175.800 0.032 0.000 1.102 146 F CA 0.155 58.193 58.000 0.064 0.000 1.244 146 F CB 0.064 39.051 39.000 -0.023 0.000 1.029 146 F HN 0.158 nan 8.300 nan 0.000 0.545 147 R N -0.130 120.399 120.500 0.048 0.000 2.091 147 R HA -0.183 4.157 4.340 0.000 0.000 0.238 147 R C 2.037 178.307 176.300 -0.050 0.000 1.136 147 R CA 1.831 57.888 56.100 -0.071 0.000 0.959 147 R CB -0.436 29.749 30.300 -0.191 0.000 0.856 147 R HN 0.385 nan 8.270 nan 0.000 0.437 148 L N 0.394 121.651 121.223 0.056 0.000 2.042 148 L HA -0.156 4.184 4.340 0.000 0.000 0.210 148 L C 2.076 178.978 176.870 0.052 0.000 1.076 148 L CA 1.554 56.511 54.840 0.195 0.000 0.749 148 L CB -0.297 41.905 42.059 0.238 0.000 0.893 148 L HN 0.039 nan 8.230 nan 0.000 0.432 149 V N -0.502 119.162 119.914 -0.418 0.000 2.358 149 V HA -0.245 3.875 4.120 0.000 0.000 0.246 149 V C 2.434 178.329 176.094 -0.331 0.000 1.047 149 V CA 1.949 63.778 62.300 -0.786 0.000 1.035 149 V CB -0.642 30.154 31.823 -1.710 0.000 0.658 149 V HN 0.496 nan 8.190 nan 0.000 0.452 150 E N -0.128 119.893 120.200 -0.298 0.000 2.072 150 E HA -0.169 4.181 4.350 0.000 0.000 0.191 150 E C 2.301 178.912 176.600 0.018 0.000 0.985 150 E CA 0.830 57.182 56.400 -0.081 0.000 0.801 150 E CB -0.134 29.554 29.700 -0.020 0.000 0.750 150 E HN 0.427 nan 8.360 nan 0.000 0.452 151 K N 0.553 120.989 120.400 0.059 0.000 2.097 151 K HA -0.153 4.167 4.320 0.000 0.000 0.205 151 K C 2.055 178.759 176.600 0.173 0.000 1.050 151 K CA 0.938 57.306 56.287 0.136 0.000 0.938 151 K CB -0.545 32.104 32.500 0.249 0.000 0.718 151 K HN 0.238 nan 8.250 nan 0.000 0.442 152 Y N 1.567 121.937 120.300 0.117 0.000 2.181 152 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 152 Y C 2.244 178.200 175.900 0.094 0.000 1.146 152 Y CA 1.892 60.075 58.100 0.139 0.000 1.164 152 Y CB -0.700 37.927 38.460 0.278 0.000 0.982 152 Y HN 0.087 nan 8.280 nan 0.000 0.515 153 G N 0.611 109.452 108.800 0.070 0.000 2.440 153 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 153 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 153 G C 1.704 176.563 174.900 -0.068 0.000 1.154 153 G CA 1.278 46.367 45.100 -0.018 0.000 0.767 153 G HN 0.468 nan 8.290 nan 0.000 0.552 154 L N -0.146 121.063 121.223 -0.024 0.000 2.013 154 L HA -0.110 4.230 4.340 0.000 0.000 0.212 154 L C 2.968 179.800 176.870 -0.063 0.000 1.073 154 L CA 0.832 55.660 54.840 -0.020 0.000 0.753 154 L CB -0.460 41.610 42.059 0.018 0.000 0.890 154 L HN 0.203 nan 8.230 nan 0.000 0.432 155 L N -1.092 120.071 121.223 -0.100 0.000 2.017 155 L HA -0.209 4.131 4.340 0.000 0.000 0.208 155 L C 2.537 179.289 176.870 -0.196 0.000 1.073 155 L CA 0.946 55.705 54.840 -0.135 0.000 0.745 155 L CB -0.576 41.402 42.059 -0.136 0.000 0.894 155 L HN 0.059 nan 8.230 nan 0.000 0.432 156 V N 0.235 119.959 119.914 -0.317 0.000 2.392 156 V HA -0.233 3.887 4.120 0.000 0.000 0.249 156 V C 2.420 178.433 176.094 -0.136 0.000 1.059 156 V CA 1.983 64.121 62.300 -0.270 0.000 1.051 156 V CB -1.184 30.438 31.823 -0.336 0.000 0.658 156 V HN 0.602 nan 8.190 nan 0.000 0.455 157 G N -1.130 107.610 108.800 -0.100 0.000 2.776 157 G HA2 0.280 4.240 3.960 0.000 0.000 0.209 157 G HA3 0.280 4.240 3.960 0.000 0.000 0.209 157 G C 1.247 176.120 174.900 -0.045 0.000 1.145 157 G CA 0.733 45.802 45.100 -0.051 0.000 0.791 157 G HN 1.026 nan 8.290 nan 0.000 0.530 158 G N -1.589 107.171 108.800 -0.065 0.000 2.157 158 G HA2 0.132 4.092 3.960 0.000 0.000 0.239 158 G HA3 0.132 4.092 3.960 0.000 0.000 0.239 158 G C 0.450 175.314 174.900 -0.059 0.000 0.982 158 G CA 0.299 45.360 45.100 -0.064 0.000 0.650 158 G HN 1.296 nan 8.290 nan 0.000 0.527 159 A N -0.150 122.645 122.820 -0.041 0.000 2.264 159 A HA 0.950 5.270 4.320 0.000 0.000 0.304 159 A C 0.791 178.359 177.584 -0.027 0.000 1.100 159 A CA 0.662 52.687 52.037 -0.020 0.000 0.839 159 A CB 0.885 19.889 19.000 0.006 0.000 1.121 159 A HN 2.034 nan 8.150 nan 0.000 0.496 160 A N 0.565 123.382 122.820 -0.005 0.000 2.401 160 A HA 0.479 4.799 4.320 0.000 0.000 0.259 160 A C 1.375 179.017 177.584 0.096 0.000 1.103 160 A CA 0.205 52.264 52.037 0.037 0.000 0.789 160 A CB -0.074 18.972 19.000 0.078 0.000 1.035 160 A HN 1.618 nan 8.150 nan 0.000 0.491 161 S N 1.900 117.674 115.700 0.123 0.000 2.368 161 S HA -0.070 4.400 4.470 0.000 0.000 0.225 161 S C 1.059 175.806 174.600 0.245 0.000 1.030 161 S CA 1.359 59.661 58.200 0.169 0.000 0.999 161 S CB -0.661 62.664 63.200 0.208 0.000 0.844 161 S HN 1.366 nan 8.310 nan 0.000 0.459 162 H N 1.463 120.595 119.070 0.104 0.000 1.452 162 H HA -0.196 4.360 4.556 0.000 0.000 0.090 162 H C -0.396 174.999 175.328 0.111 0.000 0.811 162 H CA 1.077 57.183 56.048 0.096 0.000 1.901 162 H CB -1.030 28.780 29.762 0.081 0.000 2.257 162 H HN 0.471 nan 8.280 nan 0.000 0.961 163 R N 0.934 121.350 120.500 -0.140 0.000 2.446 163 R HA 0.032 4.372 4.340 0.000 0.000 0.314 163 R C 0.472 176.802 176.300 0.049 0.000 1.003 163 R CA 0.823 56.863 56.100 -0.100 0.000 1.018 163 R CB -0.190 30.030 30.300 -0.133 0.000 0.945 163 R HN 0.428 nan 8.270 nan 0.000 0.419 164 Y N 2.486 122.776 120.300 -0.017 0.000 2.301 164 Y HA -0.059 4.491 4.550 0.000 0.000 0.295 164 Y C 0.362 176.271 175.900 0.016 0.000 1.126 164 Y CA 1.289 59.398 58.100 0.015 0.000 1.154 164 Y CB 0.628 39.101 38.460 0.020 0.000 1.075 164 Y HN 0.744 nan 8.280 nan 0.000 0.534 165 D N -2.294 118.213 120.400 0.177 0.000 2.825 165 D HA 0.134 4.774 4.640 0.000 0.000 0.327 165 D C -0.368 175.973 176.300 0.067 0.000 1.277 165 D CA -0.532 53.528 54.000 0.100 0.000 0.950 165 D CB 0.084 40.998 40.800 0.190 0.000 1.438 165 D HN 0.021 nan 8.370 nan 0.000 0.526 166 L N -0.112 121.143 121.223 0.053 0.000 2.650 166 L HA 0.321 4.661 4.340 0.000 0.000 0.235 166 L C 1.619 178.507 176.870 0.030 0.000 1.149 166 L CA 0.777 55.638 54.840 0.034 0.000 0.887 166 L CB -0.198 41.883 42.059 0.036 0.000 1.021 166 L HN 0.692 nan 8.230 nan 0.000 0.441 167 G N -1.114 107.712 108.800 0.044 0.000 3.159 167 G HA2 0.199 4.159 3.960 0.000 0.000 0.232 167 G HA3 0.199 4.159 3.960 0.000 0.000 0.232 167 G C 0.816 175.730 174.900 0.023 0.000 1.116 167 G CA 0.407 45.526 45.100 0.032 0.000 0.767 167 G HN 0.381 nan 8.290 nan 0.000 0.547 168 G N 0.859 109.675 108.800 0.027 0.000 2.624 168 G HA2 0.452 4.412 3.960 0.000 0.000 0.217 168 G HA3 0.452 4.412 3.960 0.000 0.000 0.217 168 G C 0.378 175.269 174.900 -0.015 0.000 1.506 168 G CA -0.190 44.916 45.100 0.011 0.000 1.072 168 G HN 0.640 nan 8.290 nan 0.000 0.568 169 L N -1.119 120.082 121.223 -0.036 0.000 2.516 169 L HA 0.370 4.710 4.340 0.000 0.000 0.288 169 L C 0.112 176.946 176.870 -0.059 0.000 1.246 169 L CA -0.562 54.248 54.840 -0.051 0.000 0.844 169 L CB 0.011 42.028 42.059 -0.071 0.000 1.106 169 L HN 0.088 nan 8.230 nan 0.000 0.509 170 V N 4.472 124.346 119.914 -0.067 0.000 2.372 170 V HA 0.242 4.362 4.120 0.000 0.000 0.261 170 V C 0.475 176.499 176.094 -0.117 0.000 1.055 170 V CA -0.074 62.171 62.300 -0.091 0.000 0.930 170 V CB 0.459 32.229 31.823 -0.088 0.000 1.031 170 V HN 0.897 nan 8.190 nan 0.000 0.479 171 M N 7.595 127.112 119.600 -0.139 0.000 2.080 171 M HA 0.427 4.907 4.480 0.000 0.000 0.350 171 M C -0.771 175.368 176.300 -0.267 0.000 1.173 171 M CA 0.094 55.313 55.300 -0.135 0.000 1.052 171 M CB 1.149 33.705 32.600 -0.073 0.000 1.577 171 M HN 0.323 nan 8.290 nan 0.000 0.455 172 V N 6.967 126.764 119.914 -0.195 0.000 2.318 172 V HA 0.403 4.523 4.120 0.000 0.000 0.271 172 V C 0.226 176.331 176.094 0.020 0.000 1.030 172 V CA -0.613 61.565 62.300 -0.203 0.000 0.844 172 V CB 0.450 32.208 31.823 -0.109 0.000 1.015 172 V HN 0.792 nan 8.190 nan 0.000 0.460 173 K N 2.283 122.841 120.400 0.264 0.000 2.177 173 K HA 0.272 4.592 4.320 0.000 0.000 0.238 173 K C 1.007 177.716 176.600 0.182 0.000 1.015 173 K CA -0.480 55.950 56.287 0.239 0.000 0.922 173 K CB 0.854 33.512 32.500 0.263 0.000 1.127 173 K HN 0.717 nan 8.250 nan 0.000 0.469 174 D N 0.734 121.191 120.400 0.096 0.000 2.192 174 D HA -0.298 4.342 4.640 0.000 0.000 0.189 174 D C 0.963 177.277 176.300 0.024 0.000 1.007 174 D CA 1.857 55.888 54.000 0.051 0.000 0.859 174 D CB -0.562 40.256 40.800 0.030 0.000 0.936 174 D HN 0.374 nan 8.370 nan 0.000 0.447 175 N N 0.357 119.042 118.700 -0.025 0.000 2.149 175 N HA -0.153 4.587 4.740 0.000 0.000 0.188 175 N C 1.801 177.211 175.510 -0.166 0.000 1.019 175 N CA 1.359 54.335 53.050 -0.125 0.000 0.857 175 N CB -0.606 37.754 38.487 -0.212 0.000 0.997 175 N HN 0.544 nan 8.380 nan 0.000 0.426 176 H N -0.190 118.880 119.070 0.001 0.000 2.357 176 H HA 0.037 4.593 4.556 0.000 0.000 0.301 176 H C 2.128 177.454 175.328 -0.002 0.000 1.082 176 H CA 1.022 57.069 56.048 -0.001 0.000 1.342 176 H CB -0.203 29.558 29.762 -0.003 0.000 1.389 176 H HN -0.066 nan 8.280 nan 0.000 0.511 177 V N 0.212 120.195 119.914 0.116 0.000 2.287 177 V HA -0.266 3.854 4.120 0.000 0.000 0.248 177 V C 2.377 178.490 176.094 0.032 0.000 1.053 177 V CA 1.693 64.029 62.300 0.061 0.000 1.027 177 V CB -0.621 31.230 31.823 0.047 0.000 0.646 177 V HN 0.273 nan 8.190 nan 0.000 0.447 178 V N 0.263 120.186 119.914 0.015 0.000 2.287 178 V HA -0.288 3.832 4.120 0.000 0.000 0.248 178 V C 2.705 178.798 176.094 -0.002 0.000 1.053 178 V CA 2.220 64.520 62.300 -0.001 0.000 1.027 178 V CB -1.194 30.619 31.823 -0.016 0.000 0.646 178 V HN 0.574 nan 8.190 nan 0.000 0.447 179 A N -0.200 122.615 122.820 -0.008 0.000 1.898 179 A HA -0.057 4.263 4.320 0.000 0.000 0.216 179 A C 2.353 179.944 177.584 0.013 0.000 1.181 179 A CA 1.971 54.005 52.037 -0.005 0.000 0.620 179 A CB -0.700 18.289 19.000 -0.018 0.000 0.819 179 A HN 0.585 nan 8.150 nan 0.000 0.442 180 A N -1.932 120.905 122.820 0.028 0.000 2.014 180 A HA 0.362 4.682 4.320 0.000 0.000 0.218 180 A C 1.922 179.516 177.584 0.017 0.000 1.163 180 A CA 1.526 53.579 52.037 0.027 0.000 0.652 180 A CB -0.835 18.187 19.000 0.037 0.000 0.808 180 A HN 1.950 nan 8.150 nan 0.000 0.449 181 G N -2.874 105.934 108.800 0.014 0.000 2.130 181 G HA2 0.375 4.335 3.960 0.000 0.000 0.216 181 G HA3 0.375 4.335 3.960 0.000 0.000 0.216 181 G C 0.841 175.747 174.900 0.010 0.000 0.999 181 G CA 0.302 45.408 45.100 0.009 0.000 0.686 181 G HN 2.317 nan 8.290 nan 0.000 0.515 182 G N -2.908 105.900 108.800 0.013 0.000 2.337 182 G HA2 0.421 4.381 3.960 0.000 0.000 0.310 182 G HA3 0.421 4.381 3.960 0.000 0.000 0.310 182 G C 0.466 175.373 174.900 0.013 0.000 1.534 182 G CA 0.594 45.702 45.100 0.012 0.000 0.982 182 G HN 1.528 nan 8.290 nan 0.000 0.672 183 V N 0.203 120.123 119.914 0.010 0.000 2.295 183 V HA -0.079 4.041 4.120 0.000 0.000 0.246 183 V C 2.348 178.439 176.094 -0.005 0.000 1.049 183 V CA 3.127 65.430 62.300 0.005 0.000 1.024 183 V CB -0.201 31.624 31.823 0.003 0.000 0.648 183 V HN 0.879 nan 8.190 nan 0.000 0.447 184 E N -0.267 119.929 120.200 -0.006 0.000 2.051 184 E HA -0.263 4.087 4.350 0.000 0.000 0.192 184 E C 2.312 178.905 176.600 -0.011 0.000 0.991 184 E CA 1.748 58.140 56.400 -0.012 0.000 0.799 184 E CB -0.121 29.575 29.700 -0.007 0.000 0.748 184 E HN 0.655 nan 8.360 nan 0.000 0.449 185 K N 0.117 120.515 120.400 -0.003 0.000 2.032 185 K HA -0.161 4.159 4.320 0.000 0.000 0.209 185 K C 2.224 178.823 176.600 -0.002 0.000 1.048 185 K CA 1.234 57.520 56.287 -0.001 0.000 0.927 185 K CB -0.229 32.273 32.500 0.004 0.000 0.712 185 K HN 0.089 nan 8.250 nan 0.000 0.441 186 A N 1.119 123.941 122.820 0.004 0.000 1.902 186 A HA -0.142 4.178 4.320 0.000 0.000 0.217 186 A C 2.343 179.916 177.584 -0.018 0.000 1.181 186 A CA 1.683 53.724 52.037 0.007 0.000 0.623 186 A CB -0.776 18.241 19.000 0.029 0.000 0.818 186 A HN 0.185 nan 8.150 nan 0.000 0.443 187 V N -0.112 119.785 119.914 -0.027 0.000 2.453 187 V HA -0.177 3.944 4.120 0.000 0.000 0.247 187 V C 2.496 178.560 176.094 -0.049 0.000 1.048 187 V CA 2.319 64.591 62.300 -0.047 0.000 1.049 187 V CB -0.649 31.141 31.823 -0.055 0.000 0.672 187 V HN 0.658 nan 8.190 nan 0.000 0.457 188 R N -0.081 120.397 120.500 -0.038 0.000 2.083 188 R HA -0.168 4.172 4.340 0.000 0.000 0.237 188 R C 2.267 178.545 176.300 -0.036 0.000 1.137 188 R CA 1.920 57.998 56.100 -0.036 0.000 0.951 188 R CB -0.599 29.687 30.300 -0.024 0.000 0.851 188 R HN 0.589 nan 8.270 nan 0.000 0.434 189 A N 0.539 123.342 122.820 -0.027 0.000 1.902 189 A HA -0.092 4.228 4.320 0.000 0.000 0.217 189 A C 2.334 179.895 177.584 -0.038 0.000 1.181 189 A CA 1.664 53.686 52.037 -0.024 0.000 0.623 189 A CB -0.688 18.306 19.000 -0.011 0.000 0.818 189 A HN 0.543 nan 8.150 nan 0.000 0.443 190 A N -0.288 122.501 122.820 -0.051 0.000 1.902 190 A HA -0.153 4.167 4.320 0.000 0.000 0.217 190 A C 2.186 179.728 177.584 -0.071 0.000 1.181 190 A CA 2.074 54.069 52.037 -0.069 0.000 0.623 190 A CB -0.431 18.516 19.000 -0.088 0.000 0.818 190 A HN 0.457 nan 8.150 nan 0.000 0.443 191 R N -0.030 120.425 120.500 -0.075 0.000 2.096 191 R HA -0.116 4.224 4.340 0.000 0.000 0.235 191 R C 2.232 178.476 176.300 -0.094 0.000 1.127 191 R CA 2.039 58.083 56.100 -0.094 0.000 0.968 191 R CB -0.521 29.721 30.300 -0.096 0.000 0.861 191 R HN 0.702 nan 8.270 nan 0.000 0.440 192 Q N -0.999 118.761 119.800 -0.068 0.000 2.119 192 Q HA -0.040 4.301 4.340 0.000 0.000 0.201 192 Q C 2.027 178.002 176.000 -0.042 0.000 0.972 192 Q CA 1.531 57.303 55.803 -0.053 0.000 0.847 192 Q CB -0.095 28.623 28.738 -0.033 0.000 0.903 192 Q HN 0.453 nan 8.270 nan 0.000 0.433 193 A N 0.808 123.604 122.820 -0.040 0.000 1.929 193 A HA 0.012 4.332 4.320 0.000 0.000 0.216 193 A C 2.216 179.781 177.584 -0.032 0.000 1.176 193 A CA 1.330 53.350 52.037 -0.030 0.000 0.628 193 A CB -0.513 18.469 19.000 -0.030 0.000 0.816 193 A HN 0.364 nan 8.150 nan 0.000 0.444 194 A N -1.155 121.634 122.820 -0.051 0.000 1.929 194 A HA 0.189 4.509 4.320 0.000 0.000 0.216 194 A C 1.030 178.583 177.584 -0.051 0.000 1.176 194 A CA 1.517 53.523 52.037 -0.051 0.000 0.628 194 A CB -0.515 18.444 19.000 -0.068 0.000 0.816 194 A HN 0.616 nan 8.150 nan 0.000 0.444 195 D N -2.975 117.372 120.400 -0.089 0.000 3.393 195 D HA -0.269 4.371 4.640 0.000 0.000 0.178 195 D C 0.338 176.520 176.300 -0.197 0.000 1.201 195 D CA 2.152 56.083 54.000 -0.115 0.000 1.086 195 D CB -1.284 39.529 40.800 0.021 0.000 0.568 195 D HN 0.177 nan 8.370 nan 0.000 0.637 196 F N -0.549 119.397 119.950 -0.006 0.000 2.569 196 F HA 0.375 4.902 4.527 0.000 0.000 0.295 196 F C 2.148 177.944 175.800 -0.006 0.000 1.115 196 F CA 0.864 58.861 58.000 -0.005 0.000 1.450 196 F CB -0.128 38.870 39.000 -0.003 0.000 1.107 196 F HN 0.312 nan 8.300 nan 0.000 0.563 197 A N -0.298 122.611 122.820 0.148 0.000 2.016 197 A HA 0.193 4.513 4.320 0.000 0.000 0.217 197 A C 0.836 178.447 177.584 0.044 0.000 1.162 197 A CA 0.665 52.754 52.037 0.087 0.000 0.662 197 A CB -0.325 18.713 19.000 0.064 0.000 0.812 197 A HN 0.197 nan 8.150 nan 0.000 0.450 198 L N -0.235 121.000 121.223 0.019 0.000 2.342 198 L HA 0.379 4.719 4.340 0.000 0.000 0.271 198 L C -0.274 176.582 176.870 -0.023 0.000 1.008 198 L CA -0.891 53.946 54.840 -0.005 0.000 0.818 198 L CB 1.991 44.041 42.059 -0.015 0.000 1.296 198 L HN 0.070 nan 8.230 nan 0.000 0.427 199 K N 0.764 121.150 120.400 -0.024 0.000 2.107 199 K HA 0.528 4.849 4.320 0.000 0.000 0.251 199 K C -0.999 175.571 176.600 -0.051 0.000 1.012 199 K CA -0.615 55.651 56.287 -0.034 0.000 0.920 199 K CB 1.733 34.220 32.500 -0.022 0.000 1.033 199 K HN 0.200 nan 8.250 nan 0.000 0.478 200 V N 1.657 121.537 119.914 -0.058 0.000 2.448 200 V HA 0.225 4.345 4.120 0.000 0.000 0.295 200 V C -0.462 175.597 176.094 -0.057 0.000 1.025 200 V CA -0.651 61.608 62.300 -0.068 0.000 0.859 200 V CB 1.429 33.205 31.823 -0.078 0.000 0.988 200 V HN 0.762 nan 8.190 nan 0.000 0.431 201 E N 3.524 123.690 120.200 -0.058 0.000 2.212 201 E HA 0.745 5.095 4.350 0.000 0.000 0.268 201 E C -1.795 174.779 176.600 -0.043 0.000 0.902 201 E CA -0.537 55.840 56.400 -0.038 0.000 0.779 201 E CB 2.234 31.921 29.700 -0.021 0.000 1.172 201 E HN 0.450 nan 8.360 nan 0.000 0.409 202 V N 3.740 123.637 119.914 -0.028 0.000 2.531 202 V HA 0.236 4.356 4.120 0.000 0.000 0.301 202 V C -0.416 175.684 176.094 0.009 0.000 1.034 202 V CA -0.861 61.428 62.300 -0.020 0.000 0.865 202 V CB 1.567 33.371 31.823 -0.033 0.000 0.995 202 V HN 0.763 nan 8.190 nan 0.000 0.424 203 E N 3.427 123.646 120.200 0.030 0.000 2.180 203 E HA 0.341 4.691 4.350 0.000 0.000 0.283 203 E C -1.183 175.459 176.600 0.070 0.000 1.061 203 E CA -0.249 56.185 56.400 0.056 0.000 0.861 203 E CB 0.738 30.478 29.700 0.067 0.000 1.056 203 E HN 0.793 nan 8.360 nan 0.000 0.407 204 C N 3.155 122.514 119.300 0.099 0.000 2.455 204 C HA 0.287 4.747 4.460 0.000 0.000 0.320 204 C C 1.200 176.346 174.990 0.260 0.000 1.226 204 C CA -0.606 58.492 59.018 0.135 0.000 1.569 204 C CB 1.295 29.100 27.740 0.108 0.000 2.200 204 C HN 0.864 nan 8.230 nan 0.000 0.491 205 S N 0.270 116.082 115.700 0.187 0.000 2.540 205 S HA 0.264 4.734 4.470 0.000 0.000 0.218 205 S C 0.277 174.874 174.600 -0.005 0.000 0.977 205 S CA 0.155 58.416 58.200 0.102 0.000 0.918 205 S CB -0.174 63.021 63.200 -0.008 0.000 0.806 205 S HN 1.120 nan 8.310 nan 0.000 0.496 206 S N -0.123 115.716 115.700 0.233 0.000 2.588 206 S HA 0.520 4.990 4.470 0.000 0.000 0.269 206 S C 0.136 174.907 174.600 0.286 0.000 1.157 206 S CA -0.669 57.655 58.200 0.207 0.000 0.824 206 S CB 0.804 64.036 63.200 0.053 0.000 1.126 206 S HN 0.187 nan 8.310 nan 0.000 0.464 207 L N 1.312 122.682 121.223 0.245 0.000 2.079 207 L HA -0.033 4.307 4.340 0.000 0.000 0.210 207 L C 2.387 179.325 176.870 0.112 0.000 1.081 207 L CA 2.249 57.187 54.840 0.163 0.000 0.752 207 L CB -1.136 41.004 42.059 0.135 0.000 0.896 207 L HN 0.857 nan 8.230 nan 0.000 0.433 208 Q N -0.045 119.811 119.800 0.093 0.000 2.079 208 Q HA -0.169 4.171 4.340 0.000 0.000 0.200 208 Q C 2.195 178.228 176.000 0.056 0.000 0.974 208 Q CA 2.015 57.858 55.803 0.068 0.000 0.840 208 Q CB -0.280 28.489 28.738 0.050 0.000 0.898 208 Q HN 0.625 nan 8.270 nan 0.000 0.430 209 E N 0.016 120.253 120.200 0.062 0.000 2.077 209 E HA -0.176 4.174 4.350 0.000 0.000 0.193 209 E C 1.930 178.545 176.600 0.025 0.000 0.989 209 E CA 0.948 57.375 56.400 0.045 0.000 0.800 209 E CB -0.213 29.524 29.700 0.062 0.000 0.746 209 E HN 0.380 nan 8.360 nan 0.000 0.452 210 A N 1.027 123.873 122.820 0.044 0.000 1.908 210 A HA -0.158 4.162 4.320 0.000 0.000 0.218 210 A C 2.504 180.051 177.584 -0.061 0.000 1.181 210 A CA 1.237 53.273 52.037 -0.002 0.000 0.627 210 A CB -0.656 18.356 19.000 0.020 0.000 0.818 210 A HN 0.118 nan 8.150 nan 0.000 0.445 211 V N -0.085 119.831 119.914 0.004 0.000 2.307 211 V HA -0.308 3.812 4.120 0.000 0.000 0.245 211 V C 2.649 178.688 176.094 -0.092 0.000 1.045 211 V CA 2.269 64.580 62.300 0.019 0.000 1.024 211 V CB -0.872 31.052 31.823 0.168 0.000 0.651 211 V HN 0.671 nan 8.190 nan 0.000 0.449 212 Q N -0.142 119.634 119.800 -0.040 0.000 2.084 212 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 212 Q C 2.399 178.334 176.000 -0.108 0.000 0.978 212 Q CA 1.779 57.553 55.803 -0.048 0.000 0.844 212 Q CB -0.431 28.298 28.738 -0.015 0.000 0.898 212 Q HN 0.675 nan 8.270 nan 0.000 0.426 213 A N 1.305 124.051 122.820 -0.122 0.000 1.877 213 A HA -0.120 4.200 4.320 0.000 0.000 0.216 213 A C 2.351 179.794 177.584 -0.235 0.000 1.186 213 A CA 1.609 53.564 52.037 -0.137 0.000 0.620 213 A CB -0.935 18.004 19.000 -0.101 0.000 0.822 213 A HN 0.394 nan 8.150 nan 0.000 0.443 214 A N -0.416 122.159 122.820 -0.409 0.000 1.883 214 A HA -0.209 4.111 4.320 0.000 0.000 0.217 214 A C 1.931 179.135 177.584 -0.633 0.000 1.186 214 A CA 1.864 53.485 52.037 -0.693 0.000 0.624 214 A CB -0.620 17.544 19.000 -1.392 0.000 0.822 214 A HN 0.623 nan 8.150 nan 0.000 0.444 215 E N -0.652 119.229 120.200 -0.532 0.000 2.160 215 E HA -0.092 4.258 4.350 0.000 0.000 0.195 215 E C 1.810 178.357 176.600 -0.088 0.000 0.991 215 E CA 0.912 57.218 56.400 -0.158 0.000 0.810 215 E CB -0.181 29.517 29.700 -0.004 0.000 0.742 215 E HN 0.612 nan 8.360 nan 0.000 0.466 216 A N -0.482 122.269 122.820 -0.115 0.000 2.278 216 A HA 0.328 4.648 4.320 0.000 0.000 0.212 216 A C 1.346 178.877 177.584 -0.087 0.000 1.213 216 A CA 0.678 52.669 52.037 -0.077 0.000 0.840 216 A CB 0.012 18.973 19.000 -0.066 0.000 0.866 216 A HN 0.297 nan 8.150 nan 0.000 0.489 217 G N -1.665 107.067 108.800 -0.113 0.000 2.141 217 G HA2 0.171 4.131 3.960 0.000 0.000 0.195 217 G HA3 0.171 4.131 3.960 0.000 0.000 0.195 217 G C 0.300 175.138 174.900 -0.104 0.000 1.012 217 G CA 0.067 45.108 45.100 -0.098 0.000 0.696 217 G HN 1.501 nan 8.290 nan 0.000 0.508 218 A N -0.040 122.705 122.820 -0.126 0.000 2.477 218 A HA 0.543 4.863 4.320 0.000 0.000 0.246 218 A C 1.229 178.762 177.584 -0.085 0.000 1.078 218 A CA 0.765 52.740 52.037 -0.104 0.000 0.770 218 A CB 0.339 19.274 19.000 -0.109 0.000 1.011 218 A HN 0.278 nan 8.150 nan 0.000 0.494 219 D N 0.904 121.269 120.400 -0.059 0.000 2.183 219 D HA 0.065 4.705 4.640 0.000 0.000 0.205 219 D C -0.119 176.169 176.300 -0.019 0.000 0.962 219 D CA 1.269 55.249 54.000 -0.033 0.000 0.849 219 D CB 0.104 40.890 40.800 -0.023 0.000 0.978 219 D HN 0.408 nan 8.370 nan 0.000 0.488 220 L N 0.566 121.776 121.223 -0.020 0.000 2.386 220 L HA 0.337 4.677 4.340 0.000 0.000 0.271 220 L C -0.636 176.224 176.870 -0.017 0.000 0.993 220 L CA -0.671 54.169 54.840 -0.000 0.000 0.819 220 L CB 3.031 45.110 42.059 0.032 0.000 1.294 220 L HN -0.347 nan 8.230 nan 0.000 0.414 221 V N 3.678 123.583 119.914 -0.015 0.000 2.384 221 V HA 0.380 4.500 4.120 0.000 0.000 0.287 221 V C -0.632 175.455 176.094 -0.012 0.000 1.020 221 V CA -0.570 61.714 62.300 -0.027 0.000 0.850 221 V CB 1.780 33.573 31.823 -0.050 0.000 0.987 221 V HN 0.455 nan 8.190 nan 0.000 0.436 222 L N 7.505 128.730 121.223 0.002 0.000 2.259 222 L HA 0.500 4.840 4.340 0.000 0.000 0.288 222 L C -0.377 176.494 176.870 0.001 0.000 1.051 222 L CA 0.035 54.882 54.840 0.012 0.000 0.824 222 L CB 0.664 42.749 42.059 0.042 0.000 1.206 222 L HN 0.518 nan 8.230 nan 0.000 0.429 223 L N 4.946 126.119 121.223 -0.083 0.000 2.295 223 L HA 0.299 4.639 4.340 0.000 0.000 0.288 223 L C -0.249 176.656 176.870 0.059 0.000 1.079 223 L CA -0.233 54.486 54.840 -0.202 0.000 0.830 223 L CB 0.509 42.111 42.059 -0.763 0.000 1.200 223 L HN 0.608 nan 8.230 nan 0.000 0.438 224 D N 3.454 124.041 120.400 0.311 0.000 2.193 224 D HA 0.175 4.815 4.640 0.000 0.000 0.244 224 D C 0.416 176.907 176.300 0.319 0.000 1.064 224 D CA -0.227 53.917 54.000 0.241 0.000 0.845 224 D CB 0.672 41.557 40.800 0.142 0.000 1.148 224 D HN 0.396 nan 8.370 nan 0.000 0.464 225 N N 2.494 121.322 118.700 0.214 0.000 2.735 225 N HA -0.222 4.518 4.740 0.000 0.000 0.248 225 N C -0.888 174.738 175.510 0.192 0.000 1.083 225 N CA 0.572 53.718 53.050 0.160 0.000 0.703 225 N CB -0.995 37.530 38.487 0.063 0.000 1.005 225 N HN 0.330 nan 8.380 nan 0.000 0.550 226 F N 1.360 121.364 119.950 0.089 0.000 2.418 226 F HA 0.220 4.747 4.527 0.000 0.000 0.341 226 F C 1.574 177.443 175.800 0.114 0.000 1.120 226 F CA -0.086 57.960 58.000 0.075 0.000 1.232 226 F CB 0.617 39.644 39.000 0.045 0.000 1.175 226 F HN -0.246 nan 8.300 nan 0.000 0.569 227 K N 4.199 124.702 120.400 0.173 0.000 2.326 227 K HA 0.102 4.422 4.320 0.000 0.000 0.275 227 K C -1.719 174.873 176.600 -0.014 0.000 1.018 227 K CA -1.200 55.129 56.287 0.069 0.000 0.962 227 K CB 0.427 32.937 32.500 0.017 0.000 0.953 227 K HN 0.253 nan 8.250 nan 0.000 0.475 228 P HA -0.284 nan 4.420 nan 0.000 0.217 228 P C 0.841 178.089 177.300 -0.086 0.000 1.151 228 P CA 1.405 64.288 63.100 -0.363 0.000 0.849 228 P CB 0.135 31.553 31.700 -0.468 0.000 0.787 229 E N -0.450 119.732 120.200 -0.029 0.000 2.268 229 E HA -0.185 4.165 4.350 0.000 0.000 0.195 229 E C 1.408 178.045 176.600 0.061 0.000 0.995 229 E CA 1.121 57.540 56.400 0.031 0.000 0.836 229 E CB -0.669 29.039 29.700 0.013 0.000 0.763 229 E HN 0.318 nan 8.360 nan 0.000 0.491 230 E N 0.571 120.820 120.200 0.081 0.000 2.216 230 E HA 0.024 4.374 4.350 0.000 0.000 0.192 230 E C 2.151 178.887 176.600 0.227 0.000 0.973 230 E CA 0.056 56.556 56.400 0.167 0.000 0.851 230 E CB -0.132 29.677 29.700 0.181 0.000 0.804 230 E HN 0.198 nan 8.360 nan 0.000 0.477 231 L N 1.570 122.861 121.223 0.113 0.000 1.989 231 L HA -0.188 4.153 4.340 0.000 0.000 0.211 231 L C 2.261 178.993 176.870 -0.231 0.000 1.071 231 L CA 1.880 56.619 54.840 -0.167 0.000 0.749 231 L CB -0.518 41.333 42.059 -0.346 0.000 0.890 231 L HN 0.135 nan 8.230 nan 0.000 0.431 232 H N -0.725 118.353 119.070 0.013 0.000 2.357 232 H HA -0.007 4.549 4.556 0.000 0.000 0.301 232 H C -0.356 175.003 175.328 0.053 0.000 1.082 232 H CA 1.776 57.845 56.048 0.036 0.000 1.342 232 H CB -1.752 28.027 29.762 0.028 0.000 1.389 232 H HN 0.374 nan 8.280 nan 0.000 0.511 233 P HA -0.079 nan 4.420 nan 0.000 0.216 233 P C 1.581 178.916 177.300 0.059 0.000 1.150 233 P CA 1.606 64.762 63.100 0.094 0.000 0.837 233 P CB -0.043 31.709 31.700 0.086 0.000 0.786 234 T N -0.497 114.090 114.554 0.055 0.000 2.701 234 T HA -0.108 4.242 4.350 0.000 0.000 0.263 234 T C 1.925 176.614 174.700 -0.019 0.000 1.040 234 T CA 1.660 63.779 62.100 0.032 0.000 1.147 234 T CB -0.998 67.891 68.868 0.034 0.000 0.865 234 T HN 0.025 nan 8.240 nan 0.000 0.426 235 A N 1.314 124.108 122.820 -0.044 0.000 1.940 235 A HA -0.151 4.169 4.320 0.000 0.000 0.219 235 A C 2.531 180.076 177.584 -0.066 0.000 1.176 235 A CA 2.183 54.211 52.037 -0.014 0.000 0.631 235 A CB -1.317 17.718 19.000 0.058 0.000 0.814 235 A HN 0.491 nan 8.150 nan 0.000 0.446 236 T N -0.407 114.089 114.554 -0.096 0.000 2.652 236 T HA -0.140 4.211 4.350 0.000 0.000 0.267 236 T C 1.869 176.428 174.700 -0.234 0.000 1.039 236 T CA 1.689 63.585 62.100 -0.341 0.000 1.153 236 T CB -0.497 68.306 68.868 -0.108 0.000 0.863 236 T HN 0.155 nan 8.240 nan 0.000 0.428 237 V N 1.156 121.017 119.914 -0.088 0.000 2.343 237 V HA -0.091 4.029 4.120 0.000 0.000 0.247 237 V C 2.393 178.477 176.094 -0.016 0.000 1.051 237 V CA 1.215 63.489 62.300 -0.044 0.000 1.036 237 V CB -0.593 31.232 31.823 0.003 0.000 0.654 237 V HN 0.291 nan 8.190 nan 0.000 0.451 238 L N -0.086 121.150 121.223 0.022 0.000 2.017 238 L HA -0.122 4.218 4.340 0.000 0.000 0.208 238 L C 2.460 179.396 176.870 0.110 0.000 1.073 238 L CA 1.946 56.862 54.840 0.127 0.000 0.745 238 L CB -0.650 41.467 42.059 0.097 0.000 0.894 238 L HN 0.119 nan 8.230 nan 0.000 0.432 239 K N -0.374 120.022 120.400 -0.007 0.000 2.147 239 K HA -0.037 4.283 4.320 0.000 0.000 0.205 239 K C 2.037 178.607 176.600 -0.050 0.000 1.049 239 K CA 1.197 57.473 56.287 -0.018 0.000 0.936 239 K CB -0.551 31.899 32.500 -0.084 0.000 0.722 239 K HN 0.466 nan 8.250 nan 0.000 0.446 240 A N 0.852 123.609 122.820 -0.105 0.000 1.898 240 A HA -0.177 4.143 4.320 0.000 0.000 0.216 240 A C 2.132 179.629 177.584 -0.146 0.000 1.181 240 A CA 1.439 53.413 52.037 -0.105 0.000 0.620 240 A CB -0.302 18.635 19.000 -0.105 0.000 0.819 240 A HN 0.370 nan 8.150 nan 0.000 0.442 241 Q N -2.169 117.499 119.800 -0.220 0.000 2.302 241 Q HA 0.109 4.449 4.340 0.000 0.000 0.202 241 Q C -0.759 174.786 176.000 -0.759 0.000 0.936 241 Q CA 0.373 55.862 55.803 -0.522 0.000 0.886 241 Q CB 0.280 28.605 28.738 -0.687 0.000 0.986 241 Q HN 0.606 nan 8.270 nan 0.000 0.487 242 F N 0.011 119.951 119.950 -0.017 0.000 2.660 242 F HA 0.355 4.882 4.527 0.000 0.000 0.352 242 F C -2.061 173.736 175.800 -0.006 0.000 1.257 242 F CA -1.999 55.995 58.000 -0.010 0.000 1.200 242 F CB 1.532 40.527 39.000 -0.009 0.000 1.473 242 F HN 0.020 nan 8.300 nan 0.000 0.561 243 P HA -0.086 nan 4.420 nan 0.000 0.223 243 P C 1.192 178.540 177.300 0.080 0.000 1.151 243 P CA 1.078 64.221 63.100 0.071 0.000 0.787 243 P CB 0.215 31.936 31.700 0.036 0.000 0.788 244 S N -1.369 114.388 115.700 0.095 0.000 2.496 244 S HA 0.028 4.498 4.470 0.000 0.000 0.224 244 S C 0.965 175.604 174.600 0.064 0.000 0.996 244 S CA 0.151 58.394 58.200 0.072 0.000 0.927 244 S CB -0.617 62.626 63.200 0.071 0.000 0.774 244 S HN -0.055 nan 8.310 nan 0.000 0.524 245 V N 2.589 122.554 119.914 0.086 0.000 2.530 245 V HA 0.551 4.671 4.120 0.000 0.000 0.282 245 V C 0.524 176.646 176.094 0.046 0.000 1.048 245 V CA -0.837 61.493 62.300 0.049 0.000 0.997 245 V CB 0.561 32.402 31.823 0.030 0.000 0.987 245 V HN 0.440 nan 8.190 nan 0.000 0.477 246 A N 5.182 128.020 122.820 0.030 0.000 2.340 246 A HA 0.696 5.016 4.320 0.000 0.000 0.268 246 A C -0.430 177.176 177.584 0.037 0.000 1.100 246 A CA -0.376 51.682 52.037 0.034 0.000 0.803 246 A CB 0.844 19.861 19.000 0.029 0.000 1.043 246 A HN 0.668 nan 8.150 nan 0.000 0.488 247 V N 2.190 122.136 119.914 0.053 0.000 2.448 247 V HA 0.397 4.517 4.120 0.000 0.000 0.295 247 V C -0.022 176.111 176.094 0.064 0.000 1.025 247 V CA -0.467 61.860 62.300 0.045 0.000 0.859 247 V CB 1.374 33.228 31.823 0.052 0.000 0.988 247 V HN 1.015 nan 8.190 nan 0.000 0.431 248 E N 3.382 123.607 120.200 0.041 0.000 2.183 248 E HA 0.765 5.115 4.350 0.000 0.000 0.271 248 E C -0.644 175.957 176.600 0.002 0.000 0.919 248 E CA -0.640 55.789 56.400 0.050 0.000 0.781 248 E CB 1.862 31.607 29.700 0.074 0.000 1.140 248 E HN 0.831 nan 8.360 nan 0.000 0.402 249 A N 3.075 125.892 122.820 -0.005 0.000 2.330 249 A HA 0.675 4.995 4.320 0.000 0.000 0.327 249 A C -0.715 176.818 177.584 -0.085 0.000 1.155 249 A CA -0.454 51.555 52.037 -0.047 0.000 0.803 249 A CB 1.794 20.781 19.000 -0.022 0.000 1.208 249 A HN 0.459 nan 8.150 nan 0.000 0.477 250 S N 0.013 115.661 115.700 -0.087 0.000 2.588 250 S HA 0.784 5.254 4.470 0.000 0.000 0.269 250 S C -0.563 173.970 174.600 -0.112 0.000 1.157 250 S CA 0.428 58.555 58.200 -0.122 0.000 0.824 250 S CB 1.622 64.796 63.200 -0.042 0.000 1.126 250 S HN 2.673 nan 8.310 nan 0.000 0.464 251 G N 0.700 109.412 108.800 -0.146 0.000 3.373 251 G HA2 0.444 4.404 3.960 0.000 0.000 0.685 251 G HA3 0.444 4.404 3.960 0.000 0.000 0.685 251 G C 0.847 175.659 174.900 -0.146 0.000 1.166 251 G CA 0.357 45.403 45.100 -0.089 0.000 1.063 251 G HN 2.109 nan 8.290 nan 0.000 0.481 252 G N 0.363 109.093 108.800 -0.117 0.000 2.160 252 G HA2 -0.179 3.781 3.960 0.000 0.000 0.251 252 G HA3 -0.179 3.781 3.960 0.000 0.000 0.251 252 G C 0.494 175.288 174.900 -0.176 0.000 1.008 252 G CA 0.595 45.642 45.100 -0.089 0.000 0.724 252 G HN 1.574 nan 8.290 nan 0.000 0.514 253 I N 1.693 122.072 120.570 -0.318 0.000 2.365 253 I HA 0.500 4.670 4.170 0.000 0.000 0.291 253 I C 1.001 177.015 176.117 -0.171 0.000 1.004 253 I CA 0.119 61.169 61.300 -0.416 0.000 1.311 253 I CB 1.419 39.039 38.000 -0.633 0.000 1.401 253 I HN 0.308 nan 8.210 nan 0.000 0.491 254 T N 2.435 116.941 114.554 -0.080 0.000 2.907 254 T HA 0.321 4.671 4.350 0.000 0.000 0.290 254 T C 0.610 175.305 174.700 -0.009 0.000 1.066 254 T CA -0.838 61.245 62.100 -0.029 0.000 1.012 254 T CB 1.740 70.610 68.868 0.003 0.000 1.184 254 T HN 0.400 nan 8.240 nan 0.000 0.522 255 L N 0.889 122.111 121.223 -0.001 0.000 2.013 255 L HA -0.022 4.318 4.340 0.000 0.000 0.212 255 L C 2.077 178.960 176.870 0.023 0.000 1.073 255 L CA 2.442 57.288 54.840 0.010 0.000 0.753 255 L CB -1.085 40.981 42.059 0.010 0.000 0.890 255 L HN 0.964 nan 8.230 nan 0.000 0.432 256 D N -0.738 119.677 120.400 0.027 0.000 2.117 256 D HA -0.213 4.427 4.640 0.000 0.000 0.197 256 D C 1.726 178.057 176.300 0.051 0.000 0.987 256 D CA 1.413 55.433 54.000 0.033 0.000 0.829 256 D CB -0.142 40.676 40.800 0.029 0.000 0.961 256 D HN 0.671 nan 8.370 nan 0.000 0.460 257 N N -0.053 118.697 118.700 0.083 0.000 2.353 257 N HA -0.055 4.685 4.740 0.000 0.000 0.185 257 N C 1.648 177.291 175.510 0.222 0.000 1.098 257 N CA 0.025 53.164 53.050 0.147 0.000 0.872 257 N CB -0.454 38.168 38.487 0.224 0.000 0.970 257 N HN 0.206 nan 8.380 nan 0.000 0.467 258 L N 1.428 122.734 121.223 0.138 0.000 2.034 258 L HA -0.052 4.288 4.340 0.000 0.000 0.217 258 L C -0.918 175.993 176.870 0.069 0.000 1.077 258 L CA 2.172 57.073 54.840 0.101 0.000 0.769 258 L CB -1.632 40.430 42.059 0.006 0.000 0.890 258 L HN 0.070 nan 8.230 nan 0.000 0.435 259 P HA -0.199 nan 4.420 nan 0.000 0.218 259 P C 1.423 178.701 177.300 -0.037 0.000 1.146 259 P CA 1.529 64.620 63.100 -0.015 0.000 0.813 259 P CB -0.114 31.586 31.700 -0.001 0.000 0.778 260 Q N -2.170 117.615 119.800 -0.025 0.000 2.224 260 Q HA -0.075 4.265 4.340 0.000 0.000 0.203 260 Q C 1.451 177.342 176.000 -0.181 0.000 0.970 260 Q CA 1.096 56.816 55.803 -0.138 0.000 0.865 260 Q CB -0.427 28.165 28.738 -0.244 0.000 0.922 260 Q HN 0.329 nan 8.270 nan 0.000 0.445 261 F N -0.449 119.476 119.950 -0.041 0.000 2.664 261 F HA 0.037 4.564 4.527 0.000 0.000 0.296 261 F C 0.887 176.568 175.800 -0.197 0.000 1.125 261 F CA -0.432 57.507 58.000 -0.101 0.000 1.444 261 F CB 0.298 39.188 39.000 -0.183 0.000 1.114 261 F HN -0.050 nan 8.300 nan 0.000 0.576 262 C N 1.410 120.576 119.300 -0.223 0.000 2.632 262 C HA 0.627 5.087 4.460 0.000 0.000 0.415 262 C C 0.970 175.846 174.990 -0.190 0.000 1.332 262 C CA -0.308 58.338 59.018 -0.620 0.000 1.874 262 C CB -0.674 26.744 27.740 -0.536 0.000 2.596 262 C HN 0.574 nan 8.230 nan 0.000 0.590 263 G N 3.759 112.556 108.800 -0.005 0.000 2.623 263 G HA2 0.551 4.511 3.960 0.000 0.000 0.290 263 G HA3 0.551 4.511 3.960 0.000 0.000 0.290 263 G C -2.437 172.622 174.900 0.264 0.000 1.437 263 G CA -0.487 44.649 45.100 0.059 0.000 0.798 263 G HN 0.270 nan 8.290 nan 0.000 0.488 264 P HA -0.043 nan 4.420 nan 0.000 0.226 264 P C 0.506 177.687 177.300 -0.199 0.000 1.153 264 P CA 1.171 64.192 63.100 -0.132 0.000 0.777 264 P CB 0.105 31.591 31.700 -0.356 0.000 0.794 265 H N -1.251 117.931 119.070 0.186 0.000 2.542 265 H HA 0.220 4.776 4.556 0.000 0.000 0.283 265 H C 0.415 175.850 175.328 0.178 0.000 1.059 265 H CA -0.492 55.645 56.048 0.149 0.000 1.162 265 H CB 0.185 30.016 29.762 0.116 0.000 1.539 265 H HN 0.023 nan 8.280 nan 0.000 0.543 266 I N 1.341 122.130 120.570 0.366 0.000 2.354 266 I HA 0.066 4.236 4.170 0.000 0.000 0.292 266 I C 0.261 176.664 176.117 0.477 0.000 0.989 266 I CA -0.305 61.224 61.300 0.382 0.000 1.188 266 I CB 1.741 39.954 38.000 0.356 0.000 1.342 266 I HN 0.251 nan 8.210 nan 0.000 0.457 267 D N 4.192 124.757 120.400 0.275 0.000 2.324 267 D HA 0.106 4.746 4.640 0.000 0.000 0.212 267 D C 0.281 176.642 176.300 0.101 0.000 0.984 267 D CA 1.097 55.145 54.000 0.080 0.000 0.885 267 D CB 1.367 42.161 40.800 -0.010 0.000 0.996 267 D HN 0.211 nan 8.370 nan 0.000 0.505 268 V N 1.494 121.570 119.914 0.271 0.000 2.760 268 V HA 0.396 4.516 4.120 0.000 0.000 0.309 268 V C -0.602 175.643 176.094 0.252 0.000 1.077 268 V CA -0.692 61.745 62.300 0.229 0.000 0.910 268 V CB 2.951 34.773 31.823 -0.001 0.000 1.008 268 V HN -0.099 nan 8.190 nan 0.000 0.424 269 I N 3.770 124.488 120.570 0.247 0.000 2.410 269 I HA 0.479 4.649 4.170 0.000 0.000 0.286 269 I C 0.030 176.129 176.117 -0.030 0.000 1.009 269 I CA -0.158 61.146 61.300 0.007 0.000 1.111 269 I CB 2.137 40.023 38.000 -0.189 0.000 1.262 269 I HN 0.734 nan 8.210 nan 0.000 0.443 270 S N 6.685 122.344 115.700 -0.069 0.000 2.509 270 S HA 0.814 5.284 4.470 0.000 0.000 0.297 270 S C -0.585 173.975 174.600 -0.068 0.000 1.118 270 S CA -0.847 57.320 58.200 -0.055 0.000 1.074 270 S CB 1.885 65.077 63.200 -0.012 0.000 1.038 270 S HN 0.543 nan 8.310 nan 0.000 0.498 271 M N 2.738 122.311 119.600 -0.045 0.000 2.106 271 M HA 0.373 4.853 4.480 0.000 0.000 0.288 271 M C 1.199 177.483 176.300 -0.026 0.000 0.941 271 M CA -0.791 54.474 55.300 -0.057 0.000 0.934 271 M CB 2.068 34.633 32.600 -0.058 0.000 1.551 271 M HN 0.973 nan 8.290 nan 0.000 0.437 272 G N 2.766 111.550 108.800 -0.027 0.000 2.450 272 G HA2 -0.165 3.795 3.960 0.000 0.000 0.220 272 G HA3 -0.165 3.795 3.960 0.000 0.000 0.220 272 G C 1.211 176.106 174.900 -0.009 0.000 1.130 272 G CA 0.788 45.882 45.100 -0.011 0.000 0.760 272 G HN 0.674 nan 8.290 nan 0.000 0.557 273 M N 0.007 119.597 119.600 -0.018 0.000 2.202 273 M HA 0.022 4.502 4.480 0.000 0.000 0.262 273 M C 2.443 178.743 176.300 0.000 0.000 1.063 273 M CA 0.910 56.204 55.300 -0.010 0.000 1.097 273 M CB -0.370 32.220 32.600 -0.017 0.000 1.382 273 M HN 0.190 nan 8.290 nan 0.000 0.413 274 L N -0.405 120.818 121.223 0.001 0.000 2.187 274 L HA -0.204 4.136 4.340 0.000 0.000 0.213 274 L C 2.498 179.380 176.870 0.020 0.000 1.100 274 L CA 1.733 56.580 54.840 0.011 0.000 0.765 274 L CB -1.003 41.063 42.059 0.011 0.000 0.904 274 L HN 0.491 nan 8.230 nan 0.000 0.437 275 T N -5.919 108.647 114.554 0.020 0.000 3.000 275 T HA 0.014 4.364 4.350 0.000 0.000 0.248 275 T C 1.698 176.415 174.700 0.028 0.000 1.034 275 T CA -0.156 61.962 62.100 0.030 0.000 1.060 275 T CB 0.179 69.063 68.868 0.027 0.000 0.983 275 T HN 0.211 nan 8.240 nan 0.000 0.482 276 Q N 0.838 120.647 119.800 0.016 0.000 2.354 276 Q HA 0.432 4.772 4.340 0.000 0.000 0.203 276 Q C 1.194 177.199 176.000 0.008 0.000 0.933 276 Q CA 0.771 56.580 55.803 0.011 0.000 0.901 276 Q CB 0.340 29.081 28.738 0.004 0.000 1.007 276 Q HN 0.638 nan 8.270 nan 0.000 0.495 277 A N 0.043 122.869 122.820 0.009 0.000 2.676 277 A HA 0.572 4.892 4.320 0.000 0.000 0.258 277 A C -0.459 177.132 177.584 0.011 0.000 0.898 277 A CA -0.327 51.715 52.037 0.007 0.000 1.087 277 A CB 0.527 19.528 19.000 0.002 0.000 1.214 277 A HN 0.118 nan 8.150 nan 0.000 0.474 278 A N 1.533 124.365 122.820 0.019 0.000 2.280 278 A HA 0.703 5.024 4.320 0.000 0.000 0.320 278 A C -2.625 174.976 177.584 0.028 0.000 1.366 278 A CA -1.331 50.721 52.037 0.025 0.000 0.938 278 A CB -0.184 18.836 19.000 0.034 0.000 1.157 278 A HN 0.261 nan 8.150 nan 0.000 0.536 279 P HA 0.312 nan 4.420 nan 0.000 0.268 279 P C 0.223 177.543 177.300 0.034 0.000 1.205 279 P CA 0.059 63.171 63.100 0.020 0.000 0.771 279 P CB 0.754 32.460 31.700 0.011 0.000 0.858 280 A N 3.679 126.523 122.820 0.040 0.000 2.483 280 A HA 0.205 4.525 4.320 0.000 0.000 0.238 280 A C 0.328 177.944 177.584 0.053 0.000 1.070 280 A CA -0.221 51.858 52.037 0.070 0.000 0.770 280 A CB -0.366 18.677 19.000 0.072 0.000 1.008 280 A HN 0.538 nan 8.150 nan 0.000 0.497 281 L N 0.941 122.208 121.223 0.072 0.000 2.453 281 L HA 0.208 4.548 4.340 0.000 0.000 0.261 281 L C 0.195 177.006 176.870 -0.098 0.000 1.179 281 L CA -0.549 54.252 54.840 -0.065 0.000 0.813 281 L CB 0.531 42.482 42.059 -0.180 0.000 1.110 281 L HN 0.714 nan 8.230 nan 0.000 0.466 282 D N 1.187 121.457 120.400 -0.215 0.000 2.347 282 D HA 0.362 5.002 4.640 0.000 0.000 0.235 282 D C -1.127 175.030 176.300 -0.238 0.000 1.149 282 D CA 0.075 54.004 54.000 -0.119 0.000 0.850 282 D CB 0.254 41.014 40.800 -0.068 0.000 1.061 282 D HN 0.092 nan 8.370 nan 0.000 0.487 283 F N 1.333 121.361 119.950 0.130 0.000 2.546 283 F HA 0.457 4.984 4.527 0.000 0.000 0.320 283 F C 0.641 176.553 175.800 0.186 0.000 1.076 283 F CA -0.763 57.341 58.000 0.172 0.000 0.928 283 F CB 2.058 41.170 39.000 0.188 0.000 1.189 283 F HN 0.231 nan 8.300 nan 0.000 0.465 284 S N 2.136 118.104 115.700 0.447 0.000 2.599 284 S HA 0.828 5.298 4.470 0.000 0.000 0.287 284 S C -1.822 173.018 174.600 0.400 0.000 1.105 284 S CA -0.784 57.632 58.200 0.361 0.000 0.899 284 S CB 2.109 65.477 63.200 0.280 0.000 1.100 284 S HN 0.593 nan 8.310 nan 0.000 0.482 285 L N 1.639 123.058 121.223 0.328 0.000 2.372 285 L HA 0.620 4.960 4.340 0.000 0.000 0.274 285 L C -1.206 175.831 176.870 0.279 0.000 0.988 285 L CA -0.239 54.777 54.840 0.293 0.000 0.833 285 L CB 1.357 43.571 42.059 0.258 0.000 1.236 285 L HN 0.729 nan 8.230 nan 0.000 0.410 286 K N 6.246 126.854 120.400 0.346 0.000 2.394 286 K HA 0.375 4.695 4.320 0.000 0.000 0.260 286 K C -0.974 175.829 176.600 0.337 0.000 0.967 286 K CA -0.665 55.829 56.287 0.345 0.000 0.855 286 K CB 2.321 35.089 32.500 0.446 0.000 1.101 286 K HN 0.605 nan 8.250 nan 0.000 0.433 287 L N 4.730 126.075 121.223 0.204 0.000 2.361 287 L HA 0.152 4.492 4.340 0.000 0.000 0.278 287 L C 0.326 177.292 176.870 0.161 0.000 1.113 287 L CA -0.031 54.865 54.840 0.092 0.000 0.849 287 L CB -0.026 42.054 42.059 0.035 0.000 1.155 287 L HN 0.677 nan 8.230 nan 0.000 0.452 288 F N 3.159 123.150 119.950 0.069 0.000 2.767 288 F HA 0.707 5.234 4.527 0.000 0.000 0.323 288 F C 0.150 175.980 175.800 0.050 0.000 1.091 288 F CA -0.128 57.915 58.000 0.072 0.000 1.192 288 F CB -0.013 39.048 39.000 0.102 0.000 1.056 288 F HN 0.350 nan 8.300 nan 0.000 0.571 289 A N 1.216 123.856 122.820 -0.300 0.000 2.547 289 A HA 0.705 5.025 4.320 0.000 0.000 0.297 289 A C -1.379 176.103 177.584 -0.170 0.000 1.056 289 A CA -0.767 51.175 52.037 -0.159 0.000 0.688 289 A CB 1.624 20.530 19.000 -0.156 0.000 1.282 289 A HN 0.293 nan 8.150 nan 0.000 0.400 290 K N 1.764 122.119 120.400 -0.075 0.000 2.513 290 K HA 0.649 4.969 4.320 0.000 0.000 0.251 290 K C -0.715 175.866 176.600 -0.032 0.000 0.939 290 K CA 0.033 56.285 56.287 -0.059 0.000 0.793 290 K CB 1.652 34.133 32.500 -0.032 0.000 1.241 290 K HN 1.127 nan 8.250 nan 0.000 0.431 291 E N 0.867 121.048 120.200 -0.032 0.000 6.052 291 E HA 0.228 4.578 4.350 0.000 0.000 0.553 291 E C -2.021 174.569 176.600 -0.016 0.000 1.417 291 E CA 0.137 56.528 56.400 -0.016 0.000 3.048 291 E CB -0.515 29.181 29.700 -0.007 0.000 0.781 291 E HN 0.882 nan 8.360 nan 0.000 0.262 292 V N 0.000 119.908 119.914 -0.010 0.000 2.409 292 V HA 0.000 4.120 4.120 0.000 0.000 0.244 292 V CA 0.000 nan 62.300 nan 0.000 1.235 292 V CB 0.000 nan 31.823 nan 0.000 1.184 292 V HN 0.000 nan 8.190 nan 0.000 0.556