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 3dls_1_C DATA FIRST_RESID 982 DATA SEQUENCE AVELEGLAAC EGEYSQKYST MSPLGSGAFG FVWTAVDKEK NKEVVVKFIK DATA SEQUENCE KEKVXXXXXI EDPKLGKVTL EIAILSRVEH ANIIKVLDIF ENQGFFQLVM DATA SEQUENCE EKHGSGLDLF AFIDRHPRLD EPLASYIFRQ LVSAVGYLRL KDIIHRDIKD DATA SEQUENCE ENIVIAEDFT IKLIDFGSAA YLERGKLFYT FCGTIEYCAP EVLMGNPYRG DATA SEQUENCE PELEMWSLGV TLYTLVFEEN PFCELEETVE AAIHPPYLVS KELMSLVSGL DATA SEQUENCE LQPVPERRTT LEKLVTDPWV TQPVNLADYT WEEVFR 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 982 A HA 0.000 nan 4.320 nan 0.000 0.244 982 A C 0.000 177.598 177.584 0.023 0.000 1.274 982 A CA 0.000 52.047 52.037 0.017 0.000 0.836 982 A CB 0.000 19.009 19.000 0.015 0.000 0.831 983 V N 2.440 122.363 119.914 0.016 0.000 2.313 983 V HA 0.302 4.423 4.120 0.000 0.000 0.278 983 V C 0.334 176.438 176.094 0.017 0.000 1.017 983 V CA -0.401 61.911 62.300 0.019 0.000 0.823 983 V CB 1.068 32.892 31.823 0.003 0.000 1.010 983 V HN 0.885 nan 8.190 nan 0.000 0.443 984 E N 4.318 124.541 120.200 0.038 0.000 2.414 984 E HA 0.175 4.525 4.350 0.000 0.000 0.263 984 E C -0.728 175.886 176.600 0.024 0.000 1.000 984 E CA 0.050 56.476 56.400 0.043 0.000 0.914 984 E CB 0.792 30.540 29.700 0.080 0.000 0.948 984 E HN 0.521 nan 8.360 nan 0.000 0.444 985 L N 3.946 125.169 121.223 0.000 0.000 2.371 985 L HA 0.193 4.533 4.340 0.000 0.000 0.262 985 L C 0.589 177.430 176.870 -0.049 0.000 1.054 985 L CA -0.149 54.666 54.840 -0.041 0.000 0.924 985 L CB 0.564 42.590 42.059 -0.056 0.000 1.295 985 L HN 0.441 nan 8.230 nan 0.000 0.441 986 E N 1.820 121.988 120.200 -0.053 0.000 2.437 986 E HA 0.102 4.452 4.350 0.000 0.000 0.195 986 E C 1.596 178.021 176.600 -0.293 0.000 1.029 986 E CA -0.026 56.328 56.400 -0.078 0.000 0.948 986 E CB 1.235 31.009 29.700 0.122 0.000 1.082 986 E HN 0.817 nan 8.360 nan 0.000 0.456 987 G N 1.136 109.760 108.800 -0.293 0.000 2.440 987 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 987 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 987 G C 1.563 176.235 174.900 -0.380 0.000 1.154 987 G CA 0.458 45.314 45.100 -0.407 0.000 0.767 987 G HN 0.214 nan 8.290 nan 0.000 0.552 988 L N 0.356 121.432 121.223 -0.245 0.000 2.131 988 L HA 0.142 4.482 4.340 0.000 0.000 0.206 988 L C 3.295 180.058 176.870 -0.178 0.000 1.087 988 L CA 0.819 55.552 54.840 -0.178 0.000 0.767 988 L CB -0.272 41.721 42.059 -0.109 0.000 0.917 988 L HN 0.272 nan 8.230 nan 0.000 0.441 989 A N 0.006 122.713 122.820 -0.188 0.000 2.014 989 A HA -0.007 4.313 4.320 0.000 0.000 0.218 989 A C 2.453 179.844 177.584 -0.322 0.000 1.163 989 A CA 1.361 53.317 52.037 -0.135 0.000 0.652 989 A CB -0.467 18.536 19.000 0.006 0.000 0.808 989 A HN 0.360 nan 8.150 nan 0.000 0.449 990 A N -1.567 120.788 122.820 -0.774 0.000 2.014 990 A HA -0.039 4.281 4.320 0.000 0.000 0.218 990 A C 1.955 179.256 177.584 -0.473 0.000 1.163 990 A CA 1.520 52.816 52.037 -1.235 0.000 0.652 990 A CB -0.730 17.234 19.000 -1.728 0.000 0.808 990 A HN 0.567 nan 8.150 nan 0.000 0.449 991 C N -0.565 118.558 119.300 -0.295 0.000 2.912 991 C HA 0.237 4.697 4.460 0.000 0.000 0.274 991 C C 0.968 176.053 174.990 0.159 0.000 1.248 991 C CA -0.363 58.698 59.018 0.072 0.000 1.694 991 C CB -0.928 26.860 27.740 0.080 0.000 2.024 991 C HN 0.655 nan 8.230 nan 0.000 0.605 992 E N 1.041 121.259 120.200 0.030 0.000 2.452 992 E HA 0.412 4.762 4.350 0.000 0.000 0.261 992 E C 0.868 177.504 176.600 0.060 0.000 0.987 992 E CA 1.767 58.187 56.400 0.033 0.000 0.926 992 E CB -0.104 29.599 29.700 0.005 0.000 0.934 992 E HN 0.580 nan 8.360 nan 0.000 0.452 993 G N 4.026 112.839 108.800 0.022 0.000 2.445 993 G HA2 -0.291 3.669 3.960 0.000 0.000 0.212 993 G HA3 -0.291 3.669 3.960 0.000 0.000 0.212 993 G C 0.758 175.609 174.900 -0.081 0.000 1.217 993 G CA 0.058 45.151 45.100 -0.011 0.000 1.002 993 G HN 0.620 nan 8.290 nan 0.000 0.574 994 E N -1.003 119.105 120.200 -0.154 0.000 2.171 994 E HA -0.208 4.142 4.350 0.000 0.000 0.197 994 E C 2.046 178.198 176.600 -0.747 0.000 0.997 994 E CA 2.106 58.265 56.400 -0.401 0.000 0.810 994 E CB -0.187 29.276 29.700 -0.395 0.000 0.738 994 E HN 0.540 nan 8.360 nan 0.000 0.467 995 Y N 0.759 120.660 120.300 -0.664 0.000 2.097 995 Y HA -0.248 4.302 4.550 0.001 0.000 0.282 995 Y C 2.404 178.261 175.900 -0.072 0.000 1.152 995 Y CA 2.091 59.999 58.100 -0.321 0.000 1.136 995 Y CB -0.474 38.045 38.460 0.098 0.000 0.975 995 Y HN -0.055 nan 8.280 nan 0.000 0.498 996 S N 0.240 115.830 115.700 -0.183 0.000 2.423 996 S HA -0.172 4.299 4.470 0.000 0.000 0.231 996 S C 1.766 176.228 174.600 -0.230 0.000 1.014 996 S CA 1.029 59.101 58.200 -0.213 0.000 0.965 996 S CB -0.224 62.951 63.200 -0.042 0.000 0.785 996 S HN 0.551 nan 8.310 nan 0.000 0.495 997 Q N 0.930 120.593 119.800 -0.229 0.000 2.170 997 Q HA -0.044 4.297 4.340 0.000 0.000 0.203 997 Q C 1.997 177.847 176.000 -0.250 0.000 0.976 997 Q CA 1.169 56.850 55.803 -0.204 0.000 0.858 997 Q CB -0.148 28.480 28.738 -0.183 0.000 0.907 997 Q HN 0.491 nan 8.270 nan 0.000 0.433 998 K N -1.149 119.038 120.400 -0.354 0.000 2.262 998 K HA 0.052 4.373 4.320 0.000 0.000 0.200 998 K C -0.197 176.009 176.600 -0.658 0.000 1.058 998 K CA 0.259 56.249 56.287 -0.495 0.000 0.974 998 K CB 0.626 32.809 32.500 -0.529 0.000 0.910 998 K HN -0.029 nan 8.250 nan 0.000 0.484 999 Y N -0.501 119.575 120.300 -0.373 0.000 2.524 999 Y HA 0.398 4.949 4.550 0.001 0.000 0.344 999 Y C -0.440 175.238 175.900 -0.370 0.000 1.012 999 Y CA -1.104 56.785 58.100 -0.351 0.000 1.068 999 Y CB 2.232 40.471 38.460 -0.368 0.000 1.249 999 Y HN -0.247 nan 8.280 nan 0.000 0.468 1000 S N 0.894 116.604 115.700 0.017 0.000 2.449 1000 S HA 0.456 4.927 4.470 0.000 0.000 0.310 1000 S C -0.772 173.919 174.600 0.151 0.000 1.096 1000 S CA -0.658 57.566 58.200 0.039 0.000 1.095 1000 S CB 0.443 63.660 63.200 0.030 0.000 1.007 1000 S HN 0.630 nan 8.310 nan 0.000 0.474 1001 T N 6.435 121.106 114.554 0.195 0.000 2.794 1001 T HA 0.217 4.567 4.350 0.000 0.000 0.296 1001 T C 1.071 175.885 174.700 0.191 0.000 0.949 1001 T CA -0.524 61.721 62.100 0.241 0.000 1.101 1001 T CB 0.749 69.728 68.868 0.186 0.000 0.905 1001 T HN 0.512 nan 8.240 nan 0.000 0.516 1002 M N 1.619 121.386 119.600 0.279 0.000 2.749 1002 M HA 0.229 4.709 4.480 0.000 0.000 0.240 1002 M C 0.951 177.485 176.300 0.391 0.000 1.285 1002 M CA 0.567 56.025 55.300 0.263 0.000 1.267 1002 M CB -0.923 31.797 32.600 0.201 0.000 1.184 1002 M HN 0.665 nan 8.290 nan 0.000 0.526 1003 S N 0.473 116.461 115.700 0.479 0.000 2.556 1003 S HA 0.685 5.155 4.470 0.000 0.000 0.271 1003 S C -2.952 171.769 174.600 0.202 0.000 1.135 1003 S CA -1.328 57.101 58.200 0.381 0.000 0.858 1003 S CB 2.173 65.470 63.200 0.163 0.000 1.114 1003 S HN 0.004 nan 8.310 nan 0.000 0.468 1004 P HA 0.323 nan 4.420 nan 0.000 0.271 1004 P C -0.880 176.170 177.300 -0.416 0.000 1.218 1004 P CA -0.426 62.117 63.100 -0.929 0.000 0.780 1004 P CB 0.641 31.660 31.700 -1.134 0.000 0.901 1005 L N 1.348 122.370 121.223 -0.334 0.000 2.322 1005 L HA 0.699 5.040 4.340 0.000 0.000 0.269 1005 L C 0.847 177.631 176.870 -0.143 0.000 1.012 1005 L CA -0.089 54.659 54.840 -0.154 0.000 0.815 1005 L CB 1.619 43.649 42.059 -0.049 0.000 1.295 1005 L HN 0.771 nan 8.230 nan 0.000 0.438 1006 G N 0.583 109.337 108.800 -0.077 0.000 2.757 1006 G HA2 -0.068 3.892 3.960 0.000 0.000 0.638 1006 G HA3 -0.068 3.892 3.960 0.000 0.000 0.638 1006 G C -0.347 174.521 174.900 -0.053 0.000 1.344 1006 G CA -0.267 44.807 45.100 -0.043 0.000 0.855 1006 G HN 0.990 nan 8.290 nan 0.000 0.537 1007 S N -0.595 115.089 115.700 -0.026 0.000 2.576 1007 S HA 0.908 5.379 4.470 0.000 0.000 0.276 1007 S C 1.597 176.162 174.600 -0.059 0.000 1.339 1007 S CA 1.598 59.782 58.200 -0.027 0.000 1.039 1007 S CB 0.751 63.935 63.200 -0.026 0.000 0.902 1007 S HN 2.815 nan 8.310 nan 0.000 0.516 1008 G N -0.496 108.270 108.800 -0.057 0.000 2.756 1008 G HA2 0.473 4.433 3.960 0.000 0.000 0.678 1008 G HA3 0.473 4.433 3.960 0.000 0.000 0.678 1008 G C -0.140 174.692 174.900 -0.113 0.000 1.349 1008 G CA -0.089 44.977 45.100 -0.057 0.000 0.847 1008 G HN 2.138 nan 8.290 nan 0.000 0.548 1009 A N 0.188 122.963 122.820 -0.075 0.000 2.276 1009 A HA 0.906 5.226 4.320 0.000 0.000 0.300 1009 A C 0.883 178.446 177.584 -0.034 0.000 1.235 1009 A CA 0.793 52.755 52.037 -0.126 0.000 0.867 1009 A CB -0.265 18.782 19.000 0.078 0.000 1.137 1009 A HN 2.043 nan 8.150 nan 0.000 0.527 1010 F N 1.767 121.587 119.950 -0.217 0.000 2.976 1010 F HA -0.133 4.394 4.527 0.000 0.000 0.231 1010 F C 1.670 177.293 175.800 -0.295 0.000 1.102 1010 F CA 2.030 59.814 58.000 -0.361 0.000 1.448 1010 F CB -1.329 37.556 39.000 -0.190 0.000 0.701 1010 F HN 1.965 nan 8.300 nan 0.000 0.507 1011 G N -1.418 107.398 108.800 0.027 0.000 2.443 1011 G HA2 -0.067 3.893 3.960 0.000 0.000 0.209 1011 G HA3 -0.067 3.893 3.960 0.000 0.000 0.209 1011 G C -0.344 174.517 174.900 -0.065 0.000 1.176 1011 G CA -0.177 44.879 45.100 -0.074 0.000 1.074 1011 G HN 0.917 nan 8.290 nan 0.000 0.577 1012 F N 0.641 120.806 119.950 0.359 0.000 2.682 1012 F HA 0.478 5.005 4.527 -0.000 0.000 0.308 1012 F C 0.930 177.095 175.800 0.609 0.000 1.093 1012 F CA 0.006 58.340 58.000 0.556 0.000 1.244 1012 F CB 1.314 40.558 39.000 0.408 0.000 1.052 1012 F HN 0.300 nan 8.300 nan 0.000 0.573 1013 V N -0.273 119.909 119.914 0.445 0.000 2.435 1013 V HA 0.359 4.479 4.120 0.000 0.000 0.290 1013 V C -1.052 175.129 176.094 0.145 0.000 1.030 1013 V CA -0.805 61.673 62.300 0.297 0.000 0.881 1013 V CB 0.994 32.893 31.823 0.125 0.000 0.983 1013 V HN 0.110 nan 8.190 nan 0.000 0.445 1014 W N 0.883 122.255 121.300 0.121 0.000 3.127 1014 W HA 0.536 5.196 4.660 0.000 0.000 0.330 1014 W C 0.017 176.587 176.519 0.085 0.000 1.187 1014 W CA -0.646 56.782 57.345 0.138 0.000 1.198 1014 W CB 1.613 31.227 29.460 0.257 0.000 1.408 1014 W HN 0.350 nan 8.180 nan 0.000 0.529 1015 T N 2.546 117.284 114.554 0.306 0.000 2.870 1015 T HA 0.556 4.906 4.350 0.000 0.000 0.300 1015 T C 0.138 175.005 174.700 0.278 0.000 0.989 1015 T CA 0.280 62.513 62.100 0.222 0.000 1.139 1015 T CB 0.264 69.226 68.868 0.157 0.000 0.920 1015 T HN 0.487 nan 8.240 nan 0.000 0.537 1016 A N 3.161 126.109 122.820 0.213 0.000 2.387 1016 A HA 0.855 5.175 4.320 0.000 0.000 0.303 1016 A C -0.911 176.797 177.584 0.207 0.000 1.145 1016 A CA -0.688 51.488 52.037 0.232 0.000 0.801 1016 A CB 1.496 20.644 19.000 0.247 0.000 1.342 1016 A HN 0.620 nan 8.150 nan 0.000 0.440 1017 V N 1.565 121.614 119.914 0.225 0.000 2.487 1017 V HA 0.264 4.384 4.120 0.000 0.000 0.298 1017 V C -0.670 175.564 176.094 0.233 0.000 1.028 1017 V CA -0.669 61.745 62.300 0.190 0.000 0.860 1017 V CB 1.726 33.617 31.823 0.114 0.000 0.991 1017 V HN 0.937 nan 8.190 nan 0.000 0.427 1018 D N 4.397 124.933 120.400 0.227 0.000 2.342 1018 D HA 0.079 4.719 4.640 0.000 0.000 0.260 1018 D C 1.116 177.387 176.300 -0.049 0.000 1.278 1018 D CA 0.139 54.160 54.000 0.035 0.000 0.910 1018 D CB 0.922 41.763 40.800 0.068 0.000 1.079 1018 D HN 0.499 nan 8.370 nan 0.000 0.496 1019 K N 2.757 123.084 120.400 -0.121 0.000 2.044 1019 K HA -0.204 4.117 4.320 0.000 0.000 0.210 1019 K C 1.684 178.245 176.600 -0.065 0.000 1.049 1019 K CA 1.466 57.704 56.287 -0.082 0.000 0.927 1019 K CB 0.222 32.658 32.500 -0.108 0.000 0.713 1019 K HN 0.548 nan 8.250 nan 0.000 0.443 1020 E N 0.035 120.183 120.200 -0.087 0.000 2.047 1020 E HA -0.180 4.170 4.350 0.000 0.000 0.191 1020 E C 2.287 178.866 176.600 -0.035 0.000 0.987 1020 E CA 1.563 57.927 56.400 -0.059 0.000 0.799 1020 E CB -0.053 29.607 29.700 -0.067 0.000 0.752 1020 E HN 0.302 nan 8.360 nan 0.000 0.449 1021 K N 1.045 121.427 120.400 -0.029 0.000 2.365 1021 K HA -0.029 4.292 4.320 0.000 0.000 0.197 1021 K C 0.742 177.344 176.600 0.005 0.000 1.042 1021 K CA 0.954 57.237 56.287 -0.006 0.000 0.987 1021 K CB -0.873 31.631 32.500 0.007 0.000 0.779 1021 K HN 0.328 nan 8.250 nan 0.000 0.484 1022 N N 0.159 118.862 118.700 0.005 0.000 2.710 1022 N HA -0.227 4.514 4.740 0.000 0.000 0.249 1022 N C -0.428 175.102 175.510 0.033 0.000 1.059 1022 N CA 1.249 54.310 53.050 0.018 0.000 0.720 1022 N CB -1.145 37.349 38.487 0.011 0.000 0.983 1022 N HN 0.871 nan 8.380 nan 0.000 0.544 1023 K N -0.265 120.164 120.400 0.048 0.000 2.164 1023 K HA 0.414 4.734 4.320 0.000 0.000 0.258 1023 K C -0.572 176.079 176.600 0.086 0.000 0.951 1023 K CA -0.853 55.467 56.287 0.056 0.000 0.844 1023 K CB 1.606 34.136 32.500 0.049 0.000 1.099 1023 K HN 0.006 nan 8.250 nan 0.000 0.435 1024 E N 2.036 122.277 120.200 0.069 0.000 2.324 1024 E HA 0.088 4.438 4.350 0.000 0.000 0.271 1024 E C 0.019 176.668 176.600 0.082 0.000 1.028 1024 E CA -0.417 56.031 56.400 0.080 0.000 0.890 1024 E CB 1.245 30.977 29.700 0.055 0.000 1.004 1024 E HN 0.520 nan 8.360 nan 0.000 0.431 1025 V N 0.055 120.030 119.914 0.100 0.000 3.164 1025 V HA 0.653 4.773 4.120 0.000 0.000 0.313 1025 V C -0.429 175.692 176.094 0.046 0.000 1.188 1025 V CA -0.915 61.423 62.300 0.064 0.000 1.058 1025 V CB 1.983 33.841 31.823 0.058 0.000 1.110 1025 V HN 0.292 nan 8.190 nan 0.000 0.453 1026 V N 1.114 121.032 119.914 0.006 0.000 2.448 1026 V HA 0.617 4.738 4.120 0.000 0.000 0.295 1026 V C -0.264 175.795 176.094 -0.058 0.000 1.025 1026 V CA -0.462 61.847 62.300 0.015 0.000 0.859 1026 V CB 1.537 33.375 31.823 0.026 0.000 0.988 1026 V HN 0.893 nan 8.190 nan 0.000 0.431 1027 V N 5.369 125.245 119.914 -0.063 0.000 2.483 1027 V HA 0.637 4.757 4.120 0.000 0.000 0.295 1027 V C -0.324 175.626 176.094 -0.240 0.000 1.035 1027 V CA -0.566 61.577 62.300 -0.262 0.000 0.896 1027 V CB 1.743 33.282 31.823 -0.473 0.000 0.986 1027 V HN 0.926 nan 8.190 nan 0.000 0.447 1028 K N 5.855 126.089 120.400 -0.276 0.000 2.483 1028 K HA 0.500 4.820 4.320 0.000 0.000 0.256 1028 K C -1.465 175.045 176.600 -0.150 0.000 0.961 1028 K CA -0.513 55.722 56.287 -0.086 0.000 0.873 1028 K CB 0.900 33.408 32.500 0.014 0.000 1.107 1028 K HN 0.575 nan 8.250 nan 0.000 0.432 1029 F N 4.883 124.989 119.950 0.261 0.000 2.427 1029 F HA 0.356 4.884 4.527 0.000 0.000 0.352 1029 F C 0.322 176.305 175.800 0.305 0.000 1.100 1029 F CA -0.456 57.733 58.000 0.315 0.000 1.191 1029 F CB 0.664 39.891 39.000 0.379 0.000 1.128 1029 F HN 0.265 nan 8.300 nan 0.000 0.533 1030 I N 3.590 124.431 120.570 0.452 0.000 2.448 1030 I HA 0.208 4.378 4.170 0.000 0.000 0.281 1030 I C -0.287 175.861 176.117 0.051 0.000 1.027 1030 I CA -0.743 60.669 61.300 0.187 0.000 1.111 1030 I CB 1.529 39.637 38.000 0.179 0.000 1.236 1030 I HN 0.499 nan 8.210 nan 0.000 0.452 1031 K N 5.430 125.630 120.400 -0.334 0.000 2.322 1031 K HA 0.214 4.534 4.320 0.000 0.000 0.283 1031 K C -0.071 176.276 176.600 -0.422 0.000 1.042 1031 K CA -0.548 55.238 56.287 -0.835 0.000 0.958 1031 K CB 0.671 32.703 32.500 -0.781 0.000 0.984 1031 K HN 0.299 nan 8.250 nan 0.000 0.473 1032 K N 4.328 124.475 120.400 -0.422 0.000 2.081 1032 K HA -0.033 4.287 4.320 0.000 0.000 0.230 1032 K C -0.506 175.994 176.600 -0.167 0.000 1.199 1032 K CA 0.183 56.351 56.287 -0.199 0.000 1.130 1032 K CB -0.113 32.269 32.500 -0.196 0.000 1.386 1032 K HN 0.540 nan 8.250 nan 0.000 0.280 1033 E N -0.017 120.102 120.200 -0.134 0.000 2.392 1033 E HA 0.318 4.668 4.350 0.000 0.000 0.269 1033 E C -0.952 175.612 176.600 -0.059 0.000 0.924 1033 E CA -1.165 55.174 56.400 -0.100 0.000 0.784 1033 E CB 0.966 30.594 29.700 -0.120 0.000 1.292 1033 E HN 0.093 nan 8.360 nan 0.000 0.447 1034 K N 0.349 120.724 120.400 -0.040 0.000 3.540 1034 K HA -0.181 4.140 4.320 0.000 0.000 0.274 1034 K C 0.173 176.764 176.600 -0.015 0.000 0.890 1034 K CA 0.491 56.764 56.287 -0.024 0.000 0.701 1034 K CB -1.662 30.825 32.500 -0.022 0.000 1.523 1034 K HN 0.422 nan 8.250 nan 0.000 0.450 1042 E N 2.422 122.630 120.200 0.013 0.000 2.432 1042 E HA 0.557 4.907 4.350 0.000 0.000 0.272 1042 E C -1.350 175.252 176.600 0.003 0.000 0.937 1042 E CA -0.713 55.695 56.400 0.013 0.000 0.812 1042 E CB 1.332 31.043 29.700 0.019 0.000 1.377 1042 E HN 0.597 nan 8.360 nan 0.000 0.399 1043 D N 3.404 123.806 120.400 0.003 0.000 2.348 1043 D HA 0.291 4.931 4.640 0.000 0.000 0.253 1043 D C -1.362 174.940 176.300 0.003 0.000 1.161 1043 D CA -1.692 52.307 54.000 -0.002 0.000 0.876 1043 D CB 1.958 42.757 40.800 -0.001 0.000 1.160 1043 D HN 0.213 nan 8.370 nan 0.000 0.459 1044 P HA -0.173 nan 4.420 nan 0.000 0.214 1044 P C 1.228 178.533 177.300 0.009 0.000 1.163 1044 P CA 0.991 64.093 63.100 0.003 0.000 0.883 1044 P CB 0.275 31.973 31.700 -0.004 0.000 0.788 1045 K N -0.909 119.495 120.400 0.006 0.000 2.147 1045 K HA -0.059 4.261 4.320 0.000 0.000 0.205 1045 K C 2.135 178.745 176.600 0.017 0.000 1.049 1045 K CA 1.016 57.309 56.287 0.010 0.000 0.936 1045 K CB -1.386 31.117 32.500 0.004 0.000 0.722 1045 K HN 0.192 nan 8.250 nan 0.000 0.446 1046 L N -2.001 119.232 121.223 0.016 0.000 2.129 1046 L HA 0.287 4.627 4.340 0.000 0.000 0.200 1046 L C 1.991 178.893 176.870 0.053 0.000 1.159 1046 L CA 1.290 56.147 54.840 0.029 0.000 0.795 1046 L CB -0.330 41.734 42.059 0.008 0.000 0.951 1046 L HN 0.518 nan 8.230 nan 0.000 0.463 1047 G N -1.443 107.389 108.800 0.053 0.000 2.168 1047 G HA2 0.046 4.006 3.960 0.000 0.000 0.066 1047 G HA3 0.046 4.006 3.960 0.000 0.000 0.066 1047 G C -1.246 173.696 174.900 0.070 0.000 0.769 1047 G CA -0.477 44.664 45.100 0.069 0.000 1.176 1047 G HN -0.067 nan 8.290 nan 0.000 0.423 1048 K N 0.989 121.458 120.400 0.114 0.000 2.376 1048 K HA 0.704 5.024 4.320 0.000 0.000 0.257 1048 K C -0.471 176.235 176.600 0.176 0.000 0.939 1048 K CA -0.289 56.069 56.287 0.118 0.000 0.809 1048 K CB 1.493 34.062 32.500 0.115 0.000 1.121 1048 K HN 1.235 nan 8.250 nan 0.000 0.425 1049 V N -0.946 118.999 119.914 0.052 0.000 3.181 1049 V HA 0.615 4.735 4.120 0.000 0.000 0.307 1049 V C -0.178 175.833 176.094 -0.138 0.000 1.310 1049 V CA -0.873 61.340 62.300 -0.145 0.000 1.067 1049 V CB 1.617 33.321 31.823 -0.197 0.000 1.081 1049 V HN 0.645 nan 8.190 nan 0.000 0.453 1050 T N -0.150 114.239 114.554 -0.275 0.000 2.927 1050 T HA 0.465 4.815 4.350 0.000 0.000 0.281 1050 T C 0.616 175.249 174.700 -0.113 0.000 0.998 1050 T CA -0.273 61.737 62.100 -0.150 0.000 1.019 1050 T CB 1.100 69.877 68.868 -0.151 0.000 1.061 1050 T HN 0.746 nan 8.240 nan 0.000 0.518 1051 L N 2.199 123.391 121.223 -0.053 0.000 2.191 1051 L HA 0.093 4.433 4.340 0.000 0.000 0.212 1051 L C 2.392 179.229 176.870 -0.055 0.000 1.103 1051 L CA 1.803 56.631 54.840 -0.021 0.000 0.769 1051 L CB -1.001 41.060 42.059 0.003 0.000 0.908 1051 L HN 0.888 nan 8.230 nan 0.000 0.438 1052 E N -0.615 119.543 120.200 -0.070 0.000 2.110 1052 E HA -0.220 4.130 4.350 0.000 0.000 0.193 1052 E C 2.265 178.796 176.600 -0.114 0.000 0.988 1052 E CA 1.395 57.764 56.400 -0.052 0.000 0.804 1052 E CB -0.098 29.576 29.700 -0.043 0.000 0.745 1052 E HN 0.542 nan 8.360 nan 0.000 0.458 1053 I N 0.662 121.129 120.570 -0.171 0.000 2.277 1053 I HA -0.143 4.027 4.170 0.000 0.000 0.243 1053 I C 2.533 178.556 176.117 -0.157 0.000 1.094 1053 I CA 0.777 61.949 61.300 -0.213 0.000 1.393 1053 I CB -0.265 37.512 38.000 -0.373 0.000 1.078 1053 I HN 0.201 nan 8.210 nan 0.000 0.417 1054 A N 1.243 123.995 122.820 -0.113 0.000 1.859 1054 A HA -0.236 4.084 4.320 0.000 0.000 0.217 1054 A C 2.292 179.861 177.584 -0.025 0.000 1.198 1054 A CA 1.861 53.876 52.037 -0.037 0.000 0.629 1054 A CB -1.020 18.003 19.000 0.038 0.000 0.830 1054 A HN 0.363 nan 8.150 nan 0.000 0.446 1055 I N -0.580 119.957 120.570 -0.055 0.000 2.179 1055 I HA -0.252 3.919 4.170 0.000 0.000 0.242 1055 I C 2.407 178.386 176.117 -0.230 0.000 1.088 1055 I CA 1.185 62.411 61.300 -0.123 0.000 1.357 1055 I CB -0.234 37.656 38.000 -0.182 0.000 1.051 1055 I HN 0.297 nan 8.210 nan 0.000 0.409 1056 L N -0.217 120.831 121.223 -0.291 0.000 2.201 1056 L HA -0.159 4.182 4.340 0.000 0.000 0.212 1056 L C 2.511 179.260 176.870 -0.201 0.000 1.105 1056 L CA 0.894 55.530 54.840 -0.340 0.000 0.775 1056 L CB -0.309 41.563 42.059 -0.312 0.000 0.913 1056 L HN 0.207 nan 8.230 nan 0.000 0.440 1057 S N -0.513 115.104 115.700 -0.139 0.000 2.447 1057 S HA -0.121 4.350 4.470 0.000 0.000 0.233 1057 S C 1.945 176.509 174.600 -0.060 0.000 1.006 1057 S CA 1.057 59.202 58.200 -0.090 0.000 0.957 1057 S CB -0.051 63.108 63.200 -0.068 0.000 0.773 1057 S HN 0.426 nan 8.310 nan 0.000 0.507 1058 R N 0.576 121.045 120.500 -0.052 0.000 2.103 1058 R HA 0.143 4.484 4.340 0.000 0.000 0.212 1058 R C 0.667 176.982 176.300 0.026 0.000 1.107 1058 R CA 0.355 56.454 56.100 -0.002 0.000 1.025 1058 R CB -0.167 30.151 30.300 0.031 0.000 0.929 1058 R HN 0.362 nan 8.270 nan 0.000 0.456 1059 V N 0.732 120.649 119.914 0.005 0.000 2.572 1059 V HA 0.496 4.616 4.120 0.000 0.000 0.291 1059 V C -0.409 175.702 176.094 0.028 0.000 1.039 1059 V CA -0.261 62.108 62.300 0.117 0.000 1.055 1059 V CB 0.804 32.695 31.823 0.113 0.000 0.969 1059 V HN 0.329 nan 8.190 nan 0.000 0.482 1060 E N 4.151 124.377 120.200 0.044 0.000 2.244 1060 E HA 0.603 4.953 4.350 0.000 0.000 0.260 1060 E C -0.887 175.530 176.600 -0.305 0.000 0.884 1060 E CA -0.716 55.626 56.400 -0.096 0.000 0.777 1060 E CB 1.427 31.099 29.700 -0.048 0.000 1.197 1060 E HN 1.155 nan 8.360 nan 0.000 0.416 1061 H N 0.914 119.719 119.070 -0.441 0.000 3.046 1061 H HA 0.627 5.183 4.556 0.001 0.000 0.361 1061 H C 0.767 175.918 175.328 -0.296 0.000 1.235 1061 H CA 0.264 55.986 56.048 -0.543 0.000 1.146 1061 H CB 2.169 31.419 29.762 -0.853 0.000 1.859 1061 H HN 0.604 nan 8.280 nan 0.000 0.548 1062 A N 2.845 125.148 122.820 -0.861 0.000 2.019 1062 A HA -0.172 4.148 4.320 0.000 0.000 0.219 1062 A C 0.913 178.347 177.584 -0.249 0.000 1.164 1062 A CA 1.864 53.612 52.037 -0.482 0.000 0.644 1062 A CB -0.405 18.309 19.000 -0.477 0.000 0.805 1062 A HN 0.746 nan 8.150 nan 0.000 0.449 1063 N N -1.327 117.363 118.700 -0.016 0.000 2.282 1063 N HA 0.392 5.132 4.740 0.000 0.000 0.240 1063 N C -0.835 174.696 175.510 0.036 0.000 1.182 1063 N CA -0.060 53.007 53.050 0.028 0.000 0.874 1063 N CB 0.850 39.369 38.487 0.054 0.000 1.126 1063 N HN 0.364 nan 8.380 nan 0.000 0.516 1064 I N 0.682 121.280 120.570 0.048 0.000 2.509 1064 I HA 0.310 4.480 4.170 0.000 0.000 0.293 1064 I C -0.284 175.818 176.117 -0.024 0.000 1.020 1064 I CA -1.219 60.114 61.300 0.054 0.000 1.088 1064 I CB 1.927 39.975 38.000 0.081 0.000 1.267 1064 I HN -0.058 nan 8.210 nan 0.000 0.430 1065 I N 6.601 127.174 120.570 0.004 0.000 2.826 1065 I HA -0.100 4.071 4.170 0.000 0.000 0.295 1065 I C 0.587 176.670 176.117 -0.058 0.000 1.213 1065 I CA 0.422 61.704 61.300 -0.031 0.000 1.436 1065 I CB 0.199 38.212 38.000 0.022 0.000 1.348 1065 I HN 0.538 nan 8.210 nan 0.000 0.570 1066 K N 6.898 127.264 120.400 -0.058 0.000 2.205 1066 K HA 0.425 4.746 4.320 0.000 0.000 0.279 1066 K C -1.226 175.340 176.600 -0.058 0.000 1.027 1066 K CA -0.757 55.492 56.287 -0.062 0.000 0.932 1066 K CB 1.093 33.562 32.500 -0.052 0.000 1.032 1066 K HN 0.369 nan 8.250 nan 0.000 0.466 1067 V N 5.639 125.508 119.914 -0.075 0.000 2.498 1067 V HA 0.076 4.196 4.120 0.000 0.000 0.279 1067 V C 1.098 177.153 176.094 -0.064 0.000 1.048 1067 V CA -0.379 61.871 62.300 -0.083 0.000 0.967 1067 V CB 0.968 32.728 31.823 -0.106 0.000 0.988 1067 V HN 0.840 nan 8.190 nan 0.000 0.473 1068 L N 2.299 123.486 121.223 -0.059 0.000 2.388 1068 L HA 0.395 4.735 4.340 0.000 0.000 0.209 1068 L C 0.268 177.110 176.870 -0.046 0.000 1.061 1068 L CA 0.765 55.595 54.840 -0.016 0.000 0.834 1068 L CB 0.395 42.483 42.059 0.048 0.000 1.029 1068 L HN 0.633 nan 8.230 nan 0.000 0.473 1069 D N -0.799 119.513 120.400 -0.147 0.000 2.717 1069 D HA 0.459 5.100 4.640 0.000 0.000 0.223 1069 D C -1.118 174.927 176.300 -0.426 0.000 1.240 1069 D CA -0.292 53.491 54.000 -0.361 0.000 0.801 1069 D CB 3.161 43.634 40.800 -0.546 0.000 1.556 1069 D HN -0.162 nan 8.370 nan 0.000 0.462 1070 I N 2.134 122.418 120.570 -0.476 0.000 2.439 1070 I HA 0.343 4.514 4.170 0.000 0.000 0.283 1070 I C -0.834 175.144 176.117 -0.231 0.000 1.023 1070 I CA -0.530 60.610 61.300 -0.266 0.000 1.100 1070 I CB 0.835 38.770 38.000 -0.108 0.000 1.238 1070 I HN 0.091 nan 8.210 nan 0.000 0.445 1071 F N 3.743 123.806 119.950 0.189 0.000 2.557 1071 F HA 0.642 5.169 4.527 0.000 0.000 0.336 1071 F C 0.264 176.198 175.800 0.225 0.000 1.058 1071 F CA -1.013 57.110 58.000 0.204 0.000 0.988 1071 F CB 1.309 40.451 39.000 0.237 0.000 1.275 1071 F HN 0.341 nan 8.300 nan 0.000 0.488 1072 E N 0.645 121.063 120.200 0.364 0.000 2.335 1072 E HA 0.364 4.715 4.350 0.000 0.000 0.280 1072 E C -1.685 174.954 176.600 0.065 0.000 0.918 1072 E CA -0.683 55.780 56.400 0.104 0.000 0.765 1072 E CB 1.834 31.545 29.700 0.018 0.000 1.218 1072 E HN 0.748 nan 8.360 nan 0.000 0.425 1073 N N 1.459 120.163 118.700 0.006 0.000 3.294 1073 N HA 0.245 4.986 4.740 0.000 0.000 0.355 1073 N C 0.872 176.363 175.510 -0.031 0.000 1.497 1073 N CA 0.274 53.337 53.050 0.022 0.000 0.707 1073 N CB -0.223 38.308 38.487 0.074 0.000 1.732 1073 N HN 0.411 nan 8.380 nan 0.000 0.640 1074 Q N -1.190 118.614 119.800 0.005 0.000 2.224 1074 Q HA 0.155 4.495 4.340 0.000 0.000 0.203 1074 Q C 1.615 177.599 176.000 -0.027 0.000 0.970 1074 Q CA 1.876 57.671 55.803 -0.014 0.000 0.865 1074 Q CB -1.152 27.590 28.738 0.008 0.000 0.922 1074 Q HN 0.842 nan 8.270 nan 0.000 0.445 1075 G N -2.714 106.115 108.800 0.049 0.000 2.944 1075 G HA2 0.477 4.437 3.960 0.000 0.000 0.223 1075 G HA3 0.477 4.437 3.960 0.000 0.000 0.223 1075 G C -0.010 174.750 174.900 -0.233 0.000 1.071 1075 G CA -0.051 45.046 45.100 -0.005 0.000 0.806 1075 G HN 0.338 nan 8.290 nan 0.000 0.538 1076 F N -0.902 118.975 119.950 -0.122 0.000 2.626 1076 F HA 0.648 5.175 4.527 0.000 0.000 0.311 1076 F C -0.933 174.755 175.800 -0.186 0.000 1.088 1076 F CA -1.245 56.716 58.000 -0.066 0.000 0.949 1076 F CB 2.065 41.108 39.000 0.071 0.000 1.322 1076 F HN -0.167 nan 8.300 nan 0.000 0.461 1077 F N 0.664 120.765 119.950 0.251 0.000 2.458 1077 F HA 0.557 5.084 4.527 0.000 0.000 0.330 1077 F C -0.475 175.428 175.800 0.172 0.000 1.082 1077 F CA -0.761 57.343 58.000 0.172 0.000 0.995 1077 F CB 1.731 40.777 39.000 0.077 0.000 1.170 1077 F HN 0.257 nan 8.300 nan 0.000 0.478 1078 Q N 3.094 123.075 119.800 0.302 0.000 2.381 1078 Q HA 0.374 4.714 4.340 0.000 0.000 0.263 1078 Q C -0.908 175.089 176.000 -0.004 0.000 1.030 1078 Q CA -0.152 55.663 55.803 0.021 0.000 0.772 1078 Q CB 1.864 30.581 28.738 -0.036 0.000 1.232 1078 Q HN 0.528 nan 8.270 nan 0.000 0.476 1079 L N 4.001 125.165 121.223 -0.098 0.000 2.268 1079 L HA 0.478 4.818 4.340 0.000 0.000 0.289 1079 L C -1.110 175.655 176.870 -0.173 0.000 1.064 1079 L CA -0.708 54.063 54.840 -0.115 0.000 0.824 1079 L CB 0.498 42.505 42.059 -0.087 0.000 1.202 1079 L HN 0.393 nan 8.230 nan 0.000 0.433 1080 V N 6.369 126.170 119.914 -0.188 0.000 2.394 1080 V HA 0.469 4.589 4.120 0.000 0.000 0.282 1080 V C 0.211 176.218 176.094 -0.145 0.000 1.031 1080 V CA -0.351 61.816 62.300 -0.222 0.000 0.881 1080 V CB 1.660 33.258 31.823 -0.376 0.000 0.982 1080 V HN 0.802 nan 8.190 nan 0.000 0.451 1081 M N 3.089 122.625 119.600 -0.107 0.000 2.591 1081 M HA 0.454 4.934 4.480 0.000 0.000 0.306 1081 M C -0.037 176.250 176.300 -0.022 0.000 1.190 1081 M CA -0.696 54.571 55.300 -0.055 0.000 0.889 1081 M CB 2.289 34.869 32.600 -0.034 0.000 1.728 1081 M HN 0.833 nan 8.290 nan 0.000 0.458 1082 E N 1.407 121.606 120.200 -0.000 0.000 2.534 1082 E HA -0.063 4.287 4.350 0.000 0.000 0.264 1082 E C -0.786 175.835 176.600 0.034 0.000 0.981 1082 E CA 0.155 56.570 56.400 0.024 0.000 0.948 1082 E CB 0.579 30.297 29.700 0.029 0.000 0.934 1082 E HN 0.451 nan 8.360 nan 0.000 0.459 1083 K N 2.559 122.981 120.400 0.037 0.000 2.267 1083 K HA 0.061 4.381 4.320 0.000 0.000 0.282 1083 K C -1.167 175.455 176.600 0.036 0.000 1.078 1083 K CA -0.588 55.721 56.287 0.036 0.000 0.903 1083 K CB 0.430 32.944 32.500 0.025 0.000 1.111 1083 K HN 0.582 nan 8.250 nan 0.000 0.475 1084 H N 3.988 123.031 119.070 -0.045 0.000 2.820 1084 H HA 0.316 4.872 4.556 0.000 0.000 0.278 1084 H C 0.550 175.816 175.328 -0.104 0.000 1.142 1084 H CA 1.364 57.367 56.048 -0.074 0.000 1.346 1084 H CB 0.357 30.077 29.762 -0.069 0.000 1.438 1084 H HN 0.961 nan 8.280 nan 0.000 0.473 1085 G N 2.889 111.412 108.800 -0.461 0.000 2.525 1085 G HA2 -0.318 3.643 3.960 0.000 0.000 0.248 1085 G HA3 -0.318 3.643 3.960 0.000 0.000 0.248 1085 G C 0.795 175.573 174.900 -0.202 0.000 1.238 1085 G CA 0.169 45.030 45.100 -0.398 0.000 0.926 1085 G HN 1.109 nan 8.290 nan 0.000 0.574 1086 S N 0.090 115.693 115.700 -0.161 0.000 2.614 1086 S HA 0.475 4.945 4.470 0.000 0.000 0.230 1086 S C 1.844 176.431 174.600 -0.022 0.000 0.952 1086 S CA 1.088 59.248 58.200 -0.066 0.000 0.949 1086 S CB 0.203 63.385 63.200 -0.030 0.000 0.786 1086 S HN 2.834 nan 8.310 nan 0.000 0.478 1087 G N 0.763 109.547 108.800 -0.027 0.000 2.136 1087 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 1087 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 1087 G C -0.202 174.711 174.900 0.022 0.000 0.989 1087 G CA 0.157 45.261 45.100 0.006 0.000 0.682 1087 G HN 0.720 nan 8.290 nan 0.000 0.522 1088 L N 1.978 123.207 121.223 0.010 0.000 2.313 1088 L HA 0.604 4.944 4.340 0.000 0.000 0.282 1088 L C 0.465 177.359 176.870 0.041 0.000 1.092 1088 L CA -0.322 54.544 54.840 0.042 0.000 0.831 1088 L CB 0.479 42.553 42.059 0.025 0.000 1.159 1088 L HN 0.386 nan 8.230 nan 0.000 0.442 1089 D N 2.773 123.227 120.400 0.092 0.000 2.332 1089 D HA 0.202 4.842 4.640 0.000 0.000 0.252 1089 D C 0.867 177.263 176.300 0.161 0.000 1.050 1089 D CA -0.704 53.358 54.000 0.103 0.000 0.970 1089 D CB 0.867 41.731 40.800 0.108 0.000 1.141 1089 D HN 0.369 nan 8.370 nan 0.000 0.485 1090 L N 0.344 121.657 121.223 0.151 0.000 2.201 1090 L HA 0.032 4.373 4.340 0.000 0.000 0.212 1090 L C 1.596 178.637 176.870 0.285 0.000 1.105 1090 L CA 1.246 56.215 54.840 0.216 0.000 0.775 1090 L CB -0.895 41.257 42.059 0.156 0.000 0.913 1090 L HN 0.637 nan 8.230 nan 0.000 0.440 1091 F N -0.122 119.908 119.950 0.134 0.000 2.113 1091 F HA -0.185 4.342 4.527 0.000 0.000 0.297 1091 F C 2.315 178.191 175.800 0.126 0.000 1.103 1091 F CA 1.440 59.512 58.000 0.120 0.000 1.248 1091 F CB -0.308 38.745 39.000 0.090 0.000 0.999 1091 F HN 0.063 nan 8.300 nan 0.000 0.475 1092 A N -0.157 122.854 122.820 0.319 0.000 1.930 1092 A HA -0.180 4.141 4.320 0.000 0.000 0.217 1092 A C 2.098 179.821 177.584 0.231 0.000 1.175 1092 A CA 1.411 53.594 52.037 0.243 0.000 0.627 1092 A CB -1.541 17.619 19.000 0.267 0.000 0.815 1092 A HN 0.532 nan 8.150 nan 0.000 0.443 1093 F N 0.645 120.626 119.950 0.051 0.000 2.069 1093 F HA -0.168 4.359 4.527 0.000 0.000 0.298 1093 F C 1.937 177.783 175.800 0.077 0.000 1.113 1093 F CA 1.826 59.831 58.000 0.009 0.000 1.214 1093 F CB -0.308 38.646 39.000 -0.076 0.000 0.978 1093 F HN 0.177 nan 8.300 nan 0.000 0.474 1094 I N -0.074 120.466 120.570 -0.050 0.000 2.315 1094 I HA -0.254 3.917 4.170 0.000 0.000 0.248 1094 I C 2.073 177.953 176.117 -0.394 0.000 1.117 1094 I CA 1.573 62.725 61.300 -0.246 0.000 1.404 1094 I CB -0.553 37.352 38.000 -0.159 0.000 1.071 1094 I HN 0.089 nan 8.210 nan 0.000 0.419 1095 D N 0.927 121.080 120.400 -0.411 0.000 2.133 1095 D HA -0.178 4.462 4.640 0.000 0.000 0.195 1095 D C 2.019 178.154 176.300 -0.275 0.000 0.997 1095 D CA 1.148 54.906 54.000 -0.404 0.000 0.840 1095 D CB 0.043 40.658 40.800 -0.308 0.000 0.947 1095 D HN 0.045 nan 8.370 nan 0.000 0.452 1096 R N -0.071 120.360 120.500 -0.115 0.000 2.328 1096 R HA 0.001 4.341 4.340 0.000 0.000 0.200 1096 R C -0.149 176.101 176.300 -0.084 0.000 0.983 1096 R CA 0.066 56.131 56.100 -0.059 0.000 1.062 1096 R CB -0.513 29.799 30.300 0.020 0.000 0.956 1096 R HN 0.455 nan 8.270 nan 0.000 0.479 1097 H N -0.441 118.533 119.070 -0.160 0.000 2.905 1097 H HA -0.073 4.483 4.556 0.000 0.000 0.331 1097 H C -2.229 172.967 175.328 -0.220 0.000 1.078 1097 H CA -0.140 55.809 56.048 -0.164 0.000 1.084 1097 H CB -1.133 28.558 29.762 -0.118 0.000 1.617 1097 H HN 0.207 nan 8.280 nan 0.000 0.383 1098 P HA 0.187 nan 4.420 nan 0.000 0.274 1098 P C 0.235 177.450 177.300 -0.141 0.000 1.231 1098 P CA -0.161 62.748 63.100 -0.318 0.000 0.790 1098 P CB 0.722 31.965 31.700 -0.761 0.000 0.951 1099 R N 1.894 122.336 120.500 -0.096 0.000 3.171 1099 R HA 0.362 4.702 4.340 0.000 0.000 0.241 1099 R C -0.361 175.917 176.300 -0.037 0.000 1.421 1099 R CA -0.292 55.772 56.100 -0.059 0.000 1.444 1099 R CB -0.390 29.881 30.300 -0.049 0.000 1.247 1099 R HN 0.436 nan 8.270 nan 0.000 0.636 1100 L N 2.463 123.660 121.223 -0.044 0.000 2.322 1100 L HA 0.333 4.673 4.340 0.000 0.000 0.279 1100 L C 0.261 177.104 176.870 -0.046 0.000 1.036 1100 L CA -0.865 53.949 54.840 -0.044 0.000 0.807 1100 L CB 1.307 43.363 42.059 -0.004 0.000 1.226 1100 L HN 0.481 nan 8.230 nan 0.000 0.433 1101 D N 0.737 121.107 120.400 -0.050 0.000 2.549 1101 D HA 0.144 4.784 4.640 0.000 0.000 0.270 1101 D C 0.470 176.769 176.300 -0.003 0.000 1.181 1101 D CA -0.602 53.391 54.000 -0.012 0.000 1.070 1101 D CB 0.842 41.666 40.800 0.041 0.000 1.154 1101 D HN 0.449 nan 8.370 nan 0.000 0.602 1102 E N -0.586 119.648 120.200 0.057 0.000 2.072 1102 E HA -0.078 4.273 4.350 0.000 0.000 0.191 1102 E C -0.907 175.635 176.600 -0.096 0.000 0.985 1102 E CA 1.044 57.536 56.400 0.155 0.000 0.801 1102 E CB -0.973 28.917 29.700 0.316 0.000 0.750 1102 E HN 0.423 nan 8.360 nan 0.000 0.452 1103 P HA -0.167 nan 4.420 nan 0.000 0.215 1103 P C 1.521 178.669 177.300 -0.254 0.000 1.153 1103 P CA 0.902 63.880 63.100 -0.203 0.000 0.853 1103 P CB 0.049 31.731 31.700 -0.031 0.000 0.788 1104 L N -0.410 120.599 121.223 -0.356 0.000 2.068 1104 L HA 0.063 4.404 4.340 0.000 0.000 0.204 1104 L C 2.287 179.045 176.870 -0.187 0.000 1.076 1104 L CA 1.774 56.315 54.840 -0.498 0.000 0.753 1104 L CB -1.608 39.830 42.059 -1.035 0.000 0.910 1104 L HN -0.137 nan 8.230 nan 0.000 0.439 1105 A N -0.765 121.998 122.820 -0.095 0.000 1.948 1105 A HA -0.285 4.036 4.320 0.000 0.000 0.220 1105 A C 2.514 180.159 177.584 0.101 0.000 1.177 1105 A CA 2.368 54.452 52.037 0.078 0.000 0.636 1105 A CB -1.165 17.938 19.000 0.171 0.000 0.815 1105 A HN 0.672 nan 8.150 nan 0.000 0.449 1106 S N -2.060 113.498 115.700 -0.236 0.000 2.406 1106 S HA -0.175 4.295 4.470 0.000 0.000 0.228 1106 S C 1.929 176.449 174.600 -0.133 0.000 1.020 1106 S CA 1.246 59.127 58.200 -0.532 0.000 0.965 1106 S CB -0.728 61.652 63.200 -1.368 0.000 0.798 1106 S HN 0.619 nan 8.310 nan 0.000 0.488 1107 Y N 2.360 122.541 120.300 -0.200 0.000 2.181 1107 Y HA -0.007 4.543 4.550 0.001 0.000 0.288 1107 Y C 1.882 177.769 175.900 -0.022 0.000 1.146 1107 Y CA 1.360 59.394 58.100 -0.109 0.000 1.164 1107 Y CB -0.523 37.858 38.460 -0.132 0.000 0.982 1107 Y HN 0.275 nan 8.280 nan 0.000 0.515 1108 I N -1.217 119.310 120.570 -0.071 0.000 2.226 1108 I HA -0.291 3.880 4.170 0.000 0.000 0.245 1108 I C 2.166 178.281 176.117 -0.004 0.000 1.100 1108 I CA 1.577 62.834 61.300 -0.072 0.000 1.374 1108 I CB -0.530 37.512 38.000 0.070 0.000 1.057 1108 I HN 0.219 nan 8.210 nan 0.000 0.413 1109 F N 2.402 122.334 119.950 -0.030 0.000 2.206 1109 F HA -0.147 4.381 4.527 0.000 0.000 0.298 1109 F C 2.746 178.544 175.800 -0.003 0.000 1.090 1109 F CA 1.313 59.334 58.000 0.035 0.000 1.323 1109 F CB -0.283 38.832 39.000 0.192 0.000 1.028 1109 F HN -0.052 nan 8.300 nan 0.000 0.492 1110 R N 0.257 120.710 120.500 -0.078 0.000 2.148 1110 R HA -0.155 4.185 4.340 0.000 0.000 0.227 1110 R C 1.783 177.958 176.300 -0.209 0.000 1.103 1110 R CA 1.699 57.702 56.100 -0.161 0.000 0.983 1110 R CB -0.911 29.348 30.300 -0.068 0.000 0.874 1110 R HN 0.389 nan 8.270 nan 0.000 0.451 1111 Q N 0.601 120.256 119.800 -0.241 0.000 2.119 1111 Q HA -0.098 4.242 4.340 0.000 0.000 0.201 1111 Q C 2.116 178.010 176.000 -0.175 0.000 0.972 1111 Q CA 1.220 56.898 55.803 -0.208 0.000 0.847 1111 Q CB -0.069 28.505 28.738 -0.274 0.000 0.903 1111 Q HN 0.275 nan 8.270 nan 0.000 0.433 1112 L N 0.138 121.219 121.223 -0.236 0.000 2.056 1112 L HA -0.132 4.208 4.340 0.000 0.000 0.207 1112 L C 2.066 178.755 176.870 -0.301 0.000 1.078 1112 L CA 1.343 56.030 54.840 -0.256 0.000 0.749 1112 L CB -0.402 41.503 42.059 -0.257 0.000 0.901 1112 L HN -0.030 nan 8.230 nan 0.000 0.433 1113 V N -0.612 119.055 119.914 -0.412 0.000 2.332 1113 V HA -0.296 3.824 4.120 0.000 0.000 0.248 1113 V C 2.557 178.547 176.094 -0.173 0.000 1.055 1113 V CA 1.897 64.001 62.300 -0.325 0.000 1.038 1113 V CB -1.000 30.617 31.823 -0.342 0.000 0.651 1113 V HN 0.543 nan 8.190 nan 0.000 0.450 1114 S N 0.649 116.273 115.700 -0.126 0.000 2.359 1114 S HA -0.212 4.259 4.470 0.000 0.000 0.224 1114 S C 2.219 176.708 174.600 -0.185 0.000 1.035 1114 S CA 1.531 59.708 58.200 -0.038 0.000 1.018 1114 S CB -0.591 62.667 63.200 0.097 0.000 0.876 1114 S HN 0.673 nan 8.310 nan 0.000 0.448 1115 A N 0.955 123.623 122.820 -0.253 0.000 1.930 1115 A HA 0.017 4.338 4.320 0.000 0.000 0.217 1115 A C 2.320 179.786 177.584 -0.196 0.000 1.175 1115 A CA 1.319 53.110 52.037 -0.411 0.000 0.627 1115 A CB -0.685 18.203 19.000 -0.188 0.000 0.815 1115 A HN 0.358 nan 8.150 nan 0.000 0.443 1116 V N -0.375 119.449 119.914 -0.149 0.000 2.591 1116 V HA -0.067 4.053 4.120 0.000 0.000 0.249 1116 V C 2.738 178.797 176.094 -0.059 0.000 1.053 1116 V CA 1.562 63.806 62.300 -0.095 0.000 1.068 1116 V CB -1.099 30.654 31.823 -0.118 0.000 0.689 1116 V HN 0.588 nan 8.190 nan 0.000 0.462 1117 G N -0.969 107.794 108.800 -0.063 0.000 2.402 1117 G HA2 -0.328 3.632 3.960 0.000 0.000 0.216 1117 G HA3 -0.328 3.632 3.960 0.000 0.000 0.216 1117 G C 1.536 176.432 174.900 -0.007 0.000 1.162 1117 G CA 1.096 46.181 45.100 -0.025 0.000 0.777 1117 G HN 0.569 nan 8.290 nan 0.000 0.539 1118 Y N 1.148 121.353 120.300 -0.157 0.000 2.145 1118 Y HA -0.058 4.493 4.550 0.000 0.000 0.286 1118 Y C 2.503 178.358 175.900 -0.075 0.000 1.145 1118 Y CA 1.480 59.498 58.100 -0.135 0.000 1.148 1118 Y CB -0.253 38.023 38.460 -0.307 0.000 0.981 1118 Y HN 0.111 nan 8.280 nan 0.000 0.507 1119 L N -0.176 120.991 121.223 -0.094 0.000 2.046 1119 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1119 L C 2.662 179.462 176.870 -0.117 0.000 1.077 1119 L CA 1.566 56.337 54.840 -0.115 0.000 0.747 1119 L CB -0.517 41.581 42.059 0.065 0.000 0.896 1119 L HN 0.113 nan 8.230 nan 0.000 0.432 1120 R N 0.509 120.968 120.500 -0.068 0.000 2.083 1120 R HA -0.206 4.134 4.340 0.000 0.000 0.237 1120 R C 2.153 178.419 176.300 -0.058 0.000 1.137 1120 R CA 1.541 57.620 56.100 -0.035 0.000 0.951 1120 R CB -0.746 29.548 30.300 -0.011 0.000 0.851 1120 R HN 0.155 nan 8.270 nan 0.000 0.434 1121 L N 0.803 121.964 121.223 -0.103 0.000 2.127 1121 L HA -0.166 4.175 4.340 0.000 0.000 0.211 1121 L C 1.413 178.195 176.870 -0.145 0.000 1.089 1121 L CA 1.847 56.619 54.840 -0.114 0.000 0.757 1121 L CB -0.158 41.823 42.059 -0.131 0.000 0.899 1121 L HN 0.106 nan 8.230 nan 0.000 0.434 1122 K N -0.589 119.673 120.400 -0.230 0.000 2.487 1122 K HA -0.007 4.314 4.320 0.000 0.000 0.192 1122 K C -0.145 176.451 176.600 -0.006 0.000 1.027 1122 K CA 0.482 56.670 56.287 -0.166 0.000 1.054 1122 K CB -0.099 32.231 32.500 -0.283 0.000 0.824 1122 K HN 0.311 nan 8.250 nan 0.000 0.510 1123 D N 0.598 121.003 120.400 0.007 0.000 2.800 1123 D HA -0.183 4.457 4.640 0.000 0.000 0.232 1123 D C -0.502 175.867 176.300 0.115 0.000 1.137 1123 D CA 0.850 54.902 54.000 0.085 0.000 0.718 1123 D CB -1.555 39.320 40.800 0.125 0.000 1.084 1123 D HN 0.304 nan 8.370 nan 0.000 0.432 1124 I N 0.649 121.231 120.570 0.020 0.000 2.406 1124 I HA 0.405 4.576 4.170 0.000 0.000 0.290 1124 I C 0.266 176.383 176.117 -0.001 0.000 0.999 1124 I CA -0.948 60.323 61.300 -0.049 0.000 1.124 1124 I CB 1.825 39.767 38.000 -0.097 0.000 1.289 1124 I HN -0.146 nan 8.210 nan 0.000 0.441 1125 I N 5.761 126.325 120.570 -0.010 0.000 2.378 1125 I HA 0.197 4.367 4.170 0.000 0.000 0.291 1125 I C 1.200 177.289 176.117 -0.047 0.000 0.992 1125 I CA -0.024 61.273 61.300 -0.005 0.000 1.154 1125 I CB 1.077 39.080 38.000 0.005 0.000 1.315 1125 I HN 0.584 nan 8.210 nan 0.000 0.448 1126 H N 7.137 126.120 119.070 -0.145 0.000 2.403 1126 H HA 0.033 4.589 4.556 0.000 0.000 0.298 1126 H C 1.009 176.182 175.328 -0.258 0.000 1.059 1126 H CA 1.830 57.721 56.048 -0.260 0.000 1.363 1126 H CB 0.432 29.968 29.762 -0.377 0.000 1.410 1126 H HN 0.705 nan 8.280 nan 0.000 0.528 1127 R N -0.630 119.850 120.500 -0.034 0.000 3.922 1127 R HA -0.168 4.172 4.340 0.000 0.000 0.447 1127 R C -0.530 175.711 176.300 -0.097 0.000 1.035 1127 R CA 1.193 57.227 56.100 -0.109 0.000 1.289 1127 R CB -1.456 28.714 30.300 -0.218 0.000 1.906 1127 R HN 0.291 nan 8.270 nan 0.000 0.540 1128 D N 0.263 120.690 120.400 0.044 0.000 2.992 1128 D HA 0.257 4.897 4.640 0.000 0.000 0.372 1128 D C -0.627 175.658 176.300 -0.025 0.000 1.374 1128 D CA -0.296 53.686 54.000 -0.030 0.000 0.769 1128 D CB 0.276 41.000 40.800 -0.127 0.000 1.215 1128 D HN 0.157 nan 8.370 nan 0.000 0.473 1129 I N 2.241 122.753 120.570 -0.097 0.000 2.436 1129 I HA 0.159 4.329 4.170 0.000 0.000 0.289 1129 I C 0.530 176.445 176.117 -0.336 0.000 1.083 1129 I CA 0.402 61.548 61.300 -0.256 0.000 1.372 1129 I CB 0.167 38.049 38.000 -0.197 0.000 1.408 1129 I HN 0.054 nan 8.210 nan 0.000 0.516 1130 K N 3.143 123.312 120.400 -0.386 0.000 2.615 1130 K HA 0.284 4.604 4.320 0.000 0.000 0.291 1130 K C -0.262 176.229 176.600 -0.181 0.000 1.017 1130 K CA -0.836 55.107 56.287 -0.573 0.000 0.882 1130 K CB 0.863 32.707 32.500 -1.093 0.000 1.522 1130 K HN 0.297 nan 8.250 nan 0.000 0.412 1131 D N 0.475 120.884 120.400 0.015 0.000 2.182 1131 D HA -0.219 4.421 4.640 0.000 0.000 0.201 1131 D C 0.948 177.324 176.300 0.126 0.000 0.986 1131 D CA 1.370 55.456 54.000 0.143 0.000 0.847 1131 D CB -0.121 40.851 40.800 0.287 0.000 0.942 1131 D HN 0.664 nan 8.370 nan 0.000 0.467 1132 E N -0.489 119.755 120.200 0.074 0.000 2.347 1132 E HA -0.034 4.316 4.350 0.000 0.000 0.196 1132 E C 0.679 177.273 176.600 -0.010 0.000 1.008 1132 E CA 0.348 56.769 56.400 0.035 0.000 0.852 1132 E CB 0.031 29.688 29.700 -0.072 0.000 0.783 1132 E HN 0.238 nan 8.360 nan 0.000 0.505 1133 N N 0.099 118.766 118.700 -0.055 0.000 2.235 1133 N HA 0.165 4.906 4.740 0.000 0.000 0.209 1133 N C -0.491 174.971 175.510 -0.079 0.000 1.122 1133 N CA 0.231 53.242 53.050 -0.065 0.000 0.845 1133 N CB 0.755 39.192 38.487 -0.083 0.000 1.004 1133 N HN 0.068 nan 8.380 nan 0.000 0.499 1134 I N 0.772 121.314 120.570 -0.046 0.000 2.433 1134 I HA 0.292 4.462 4.170 0.000 0.000 0.292 1134 I C -0.209 175.904 176.117 -0.006 0.000 1.001 1134 I CA -1.230 60.043 61.300 -0.045 0.000 1.119 1134 I CB 2.080 40.054 38.000 -0.043 0.000 1.289 1134 I HN -0.258 nan 8.210 nan 0.000 0.438 1135 V N 4.929 124.838 119.914 -0.008 0.000 2.513 1135 V HA 0.638 4.759 4.120 0.000 0.000 0.299 1135 V C -0.516 175.616 176.094 0.063 0.000 1.035 1135 V CA -0.645 61.676 62.300 0.036 0.000 0.889 1135 V CB 1.918 33.789 31.823 0.079 0.000 0.988 1135 V HN 0.691 nan 8.190 nan 0.000 0.440 1136 I N 3.787 124.355 120.570 -0.005 0.000 2.493 1136 I HA 0.852 5.023 4.170 0.000 0.000 0.298 1136 I C 0.517 176.492 176.117 -0.238 0.000 0.998 1136 I CA -0.482 60.772 61.300 -0.077 0.000 1.137 1136 I CB 1.816 39.651 38.000 -0.276 0.000 1.310 1136 I HN 1.042 nan 8.210 nan 0.000 0.445 1137 A N 5.259 127.868 122.820 -0.351 0.000 2.517 1137 A HA 0.449 4.770 4.320 0.000 0.000 0.280 1137 A C 0.623 177.615 177.584 -0.987 0.000 1.353 1137 A CA -0.266 51.347 52.037 -0.707 0.000 0.907 1137 A CB 0.461 18.954 19.000 -0.845 0.000 1.495 1137 A HN 0.802 nan 8.150 nan 0.000 0.506 1138 E N -0.289 119.255 120.200 -1.094 0.000 2.442 1138 E HA -0.064 4.286 4.350 0.000 0.000 0.195 1138 E C -0.161 175.939 176.600 -0.834 0.000 1.030 1138 E CA 0.598 56.120 56.400 -1.463 0.000 0.869 1138 E CB 0.057 28.962 29.700 -1.325 0.000 0.857 1138 E HN 0.703 nan 8.360 nan 0.000 0.505 1139 D N -0.319 119.781 120.400 -0.500 0.000 2.325 1139 D HA -0.087 4.553 4.640 0.000 0.000 0.234 1139 D C -0.013 176.316 176.300 0.048 0.000 1.122 1139 D CA -0.349 53.536 54.000 -0.192 0.000 0.850 1139 D CB -0.577 40.191 40.800 -0.054 0.000 0.921 1139 D HN 0.053 nan 8.370 nan 0.000 0.513 1140 F N -1.016 118.993 119.950 0.098 0.000 3.006 1140 F HA -0.240 4.287 4.527 0.000 0.000 0.289 1140 F C 0.383 176.287 175.800 0.172 0.000 0.772 1140 F CA 0.718 58.828 58.000 0.185 0.000 1.162 1140 F CB -2.700 36.472 39.000 0.286 0.000 1.382 1140 F HN -0.086 nan 8.300 nan 0.000 0.406 1141 T N 2.424 117.101 114.554 0.204 0.000 2.856 1141 T HA 0.689 5.039 4.350 0.000 0.000 0.292 1141 T C 0.384 175.165 174.700 0.135 0.000 0.980 1141 T CA -0.203 61.981 62.100 0.140 0.000 1.091 1141 T CB 1.125 70.087 68.868 0.158 0.000 0.936 1141 T HN 0.341 nan 8.240 nan 0.000 0.503 1142 I N 0.010 120.559 120.570 -0.035 0.000 2.693 1142 I HA 0.887 5.058 4.170 0.000 0.000 0.303 1142 I C -0.742 175.210 176.117 -0.275 0.000 1.025 1142 I CA -1.211 60.027 61.300 -0.103 0.000 1.086 1142 I CB 1.944 39.885 38.000 -0.099 0.000 1.268 1142 I HN 0.224 nan 8.210 nan 0.000 0.440 1143 K N 3.921 124.126 120.400 -0.325 0.000 2.443 1143 K HA 0.558 4.878 4.320 0.000 0.000 0.252 1143 K C -1.377 175.141 176.600 -0.137 0.000 0.933 1143 K CA -0.542 55.566 56.287 -0.298 0.000 0.792 1143 K CB 1.994 34.214 32.500 -0.468 0.000 1.185 1143 K HN 0.645 nan 8.250 nan 0.000 0.425 1144 L N 5.894 127.068 121.223 -0.081 0.000 2.319 1144 L HA 0.521 4.861 4.340 0.000 0.000 0.280 1144 L C -0.610 176.313 176.870 0.088 0.000 1.099 1144 L CA 0.133 54.932 54.840 -0.068 0.000 0.828 1144 L CB 0.045 42.021 42.059 -0.137 0.000 1.150 1144 L HN 0.688 nan 8.230 nan 0.000 0.442 1145 I N 0.411 121.015 120.570 0.057 0.000 3.436 1145 I HA 0.646 4.816 4.170 0.000 0.000 0.300 1145 I C -0.542 175.666 176.117 0.153 0.000 1.131 1145 I CA -1.052 60.349 61.300 0.169 0.000 1.001 1145 I CB 1.380 39.432 38.000 0.087 0.000 1.305 1145 I HN 0.570 nan 8.210 nan 0.000 0.494 1146 D N 0.775 121.282 120.400 0.177 0.000 3.729 1146 D HA -0.223 4.417 4.640 0.000 0.000 0.242 1146 D C -0.822 175.373 176.300 -0.175 0.000 1.091 1146 D CA 0.644 54.674 54.000 0.050 0.000 1.096 1146 D CB -0.849 39.950 40.800 -0.003 0.000 0.901 1146 D HN 0.568 nan 8.370 nan 0.000 0.416 1147 F N 0.499 120.350 119.950 -0.165 0.000 2.668 1147 F HA 0.382 4.909 4.527 0.001 0.000 0.297 1147 F C 2.200 177.833 175.800 -0.277 0.000 1.124 1147 F CA 0.240 58.056 58.000 -0.307 0.000 1.353 1147 F CB 0.601 39.494 39.000 -0.178 0.000 0.992 1147 F HN 0.369 nan 8.300 nan 0.000 0.524 1148 G N -0.835 107.883 108.800 -0.136 0.000 2.484 1148 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 1148 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 1148 G C 1.604 176.412 174.900 -0.153 0.000 1.130 1148 G CA 0.752 45.783 45.100 -0.114 0.000 0.784 1148 G HN 0.316 nan 8.290 nan 0.000 0.543 1149 S N 0.109 115.661 115.700 -0.246 0.000 2.540 1149 S HA 0.527 4.997 4.470 0.000 0.000 0.218 1149 S C 1.202 175.651 174.600 -0.251 0.000 0.977 1149 S CA 0.004 58.059 58.200 -0.241 0.000 0.918 1149 S CB 0.414 63.443 63.200 -0.285 0.000 0.806 1149 S HN 0.594 nan 8.310 nan 0.000 0.496 1150 A N 1.649 124.306 122.820 -0.272 0.000 2.445 1150 A HA 0.714 5.034 4.320 0.000 0.000 0.242 1150 A C 0.334 177.824 177.584 -0.156 0.000 1.075 1150 A CA 0.088 51.987 52.037 -0.230 0.000 0.777 1150 A CB 0.140 19.067 19.000 -0.122 0.000 1.013 1150 A HN 0.491 nan 8.150 nan 0.000 0.493 1151 A N 0.940 123.669 122.820 -0.153 0.000 2.569 1151 A HA 0.705 5.025 4.320 0.000 0.000 0.290 1151 A C -1.398 176.138 177.584 -0.081 0.000 1.136 1151 A CA -0.576 51.437 52.037 -0.040 0.000 0.710 1151 A CB 0.649 19.748 19.000 0.164 0.000 1.303 1151 A HN 0.735 nan 8.150 nan 0.000 0.413 1152 Y N 0.321 120.729 120.300 0.181 0.000 2.313 1152 Y HA 0.459 5.009 4.550 0.000 0.000 0.332 1152 Y C 0.221 176.237 175.900 0.194 0.000 1.071 1152 Y CA -0.443 57.739 58.100 0.138 0.000 1.169 1152 Y CB 0.983 39.485 38.460 0.069 0.000 1.192 1152 Y HN 0.411 nan 8.280 nan 0.000 0.487 1153 L N 3.286 124.687 121.223 0.297 0.000 2.410 1153 L HA 0.381 4.721 4.340 0.000 0.000 0.273 1153 L C 0.316 177.264 176.870 0.130 0.000 1.152 1153 L CA -0.270 54.699 54.840 0.215 0.000 0.855 1153 L CB -0.087 42.069 42.059 0.161 0.000 1.129 1153 L HN 0.830 nan 8.230 nan 0.000 0.463 1154 E N 2.659 122.886 120.200 0.045 0.000 2.293 1154 E HA 0.536 4.886 4.350 0.000 0.000 0.270 1154 E C -0.407 176.180 176.600 -0.021 0.000 0.879 1154 E CA -1.216 55.181 56.400 -0.004 0.000 0.756 1154 E CB 1.061 30.733 29.700 -0.047 0.000 1.208 1154 E HN 0.490 nan 8.360 nan 0.000 0.428 1155 R N 0.859 121.349 120.500 -0.015 0.000 2.488 1155 R HA 0.335 4.675 4.340 0.000 0.000 0.317 1155 R C 1.164 177.447 176.300 -0.029 0.000 0.941 1155 R CA 1.861 57.953 56.100 -0.015 0.000 1.076 1155 R CB -0.665 29.628 30.300 -0.013 0.000 0.917 1155 R HN 1.717 nan 8.270 nan 0.000 0.407 1156 G N 3.627 112.411 108.800 -0.027 0.000 2.338 1156 G HA2 -0.341 3.619 3.960 0.000 0.000 0.296 1156 G HA3 -0.341 3.619 3.960 0.000 0.000 0.296 1156 G C -0.217 174.646 174.900 -0.061 0.000 1.040 1156 G CA 0.695 45.775 45.100 -0.034 0.000 1.004 1156 G HN 0.644 nan 8.290 nan 0.000 0.509 1157 K N -0.580 119.759 120.400 -0.102 0.000 2.259 1157 K HA 0.800 5.120 4.320 0.000 0.000 0.249 1157 K C -0.275 176.157 176.600 -0.280 0.000 0.942 1157 K CA -1.036 55.136 56.287 -0.191 0.000 0.816 1157 K CB 1.075 33.416 32.500 -0.265 0.000 1.155 1157 K HN 0.149 nan 8.250 nan 0.000 0.428 1158 L N 3.417 124.408 121.223 -0.386 0.000 2.354 1158 L HA 0.499 4.839 4.340 0.000 0.000 0.269 1158 L C -0.922 175.385 176.870 -0.937 0.000 1.005 1158 L CA -0.887 53.598 54.840 -0.591 0.000 0.819 1158 L CB 1.473 43.182 42.059 -0.583 0.000 1.311 1158 L HN 0.538 nan 8.230 nan 0.000 0.423 1159 F N 1.214 120.642 119.950 -0.870 0.000 2.404 1159 F HA 0.283 4.810 4.527 -0.000 0.000 0.339 1159 F C 0.094 175.407 175.800 -0.811 0.000 1.105 1159 F CA 0.099 57.611 58.000 -0.814 0.000 1.087 1159 F CB 0.899 39.238 39.000 -1.103 0.000 1.143 1159 F HN 0.326 nan 8.300 nan 0.000 0.491 1160 Y N 1.093 121.406 120.300 0.022 0.000 2.612 1160 Y HA 0.384 4.934 4.550 -0.000 0.000 0.250 1160 Y C 0.950 176.927 175.900 0.128 0.000 1.175 1160 Y CA -0.080 58.054 58.100 0.057 0.000 1.205 1160 Y CB 0.188 38.657 38.460 0.016 0.000 1.201 1160 Y HN 0.643 nan 8.280 nan 0.000 0.532 1161 T N -0.506 114.220 114.554 0.287 0.000 2.893 1161 T HA 0.507 4.857 4.350 0.000 0.000 0.293 1161 T C -1.286 173.651 174.700 0.394 0.000 1.027 1161 T CA -0.648 61.620 62.100 0.281 0.000 0.988 1161 T CB 0.939 69.926 68.868 0.199 0.000 1.043 1161 T HN -0.003 nan 8.240 nan 0.000 0.461 1162 F N 3.608 123.674 119.950 0.194 0.000 2.334 1162 F HA 0.476 5.003 4.527 0.000 0.000 0.367 1162 F C 0.224 176.062 175.800 0.064 0.000 1.115 1162 F CA -1.350 56.735 58.000 0.142 0.000 1.116 1162 F CB 0.629 39.665 39.000 0.061 0.000 1.230 1162 F HN 0.520 nan 8.300 nan 0.000 0.484 1163 C N 4.961 123.967 119.300 -0.490 0.000 2.668 1163 C HA 0.554 5.015 4.460 0.000 0.000 0.301 1163 C C 1.251 175.860 174.990 -0.635 0.000 1.351 1163 C CA -0.165 58.591 59.018 -0.436 0.000 1.757 1163 C CB -1.366 26.250 27.740 -0.208 0.000 2.179 1163 C HN 0.979 nan 8.230 nan 0.000 0.586 1164 G N 0.376 108.408 108.800 -1.281 0.000 2.971 1164 G HA2 0.541 4.502 3.960 0.000 0.000 0.235 1164 G HA3 0.541 4.502 3.960 0.000 0.000 0.235 1164 G C -0.800 173.776 174.900 -0.539 0.000 1.351 1164 G CA -0.030 44.566 45.100 -0.840 0.000 1.039 1164 G HN 0.208 nan 8.290 nan 0.000 0.563 1165 T N 1.658 116.175 114.554 -0.062 0.000 2.744 1165 T HA 0.198 4.548 4.350 0.000 0.000 0.291 1165 T C 1.488 176.471 174.700 0.471 0.000 0.957 1165 T CA -0.465 61.737 62.100 0.171 0.000 1.002 1165 T CB 1.324 70.277 68.868 0.141 0.000 0.919 1165 T HN 0.225 nan 8.240 nan 0.000 0.468 1166 I N 2.448 123.273 120.570 0.426 0.000 2.335 1166 I HA -0.110 4.061 4.170 0.000 0.000 0.251 1166 I C 2.024 178.279 176.117 0.230 0.000 1.129 1166 I CA 1.545 63.057 61.300 0.354 0.000 1.402 1166 I CB -0.518 37.621 38.000 0.232 0.000 1.069 1166 I HN 0.682 nan 8.210 nan 0.000 0.424 1167 E N -0.695 119.663 120.200 0.263 0.000 2.347 1167 E HA -0.165 4.185 4.350 0.000 0.000 0.196 1167 E C 1.229 177.897 176.600 0.113 0.000 1.008 1167 E CA 0.776 57.278 56.400 0.171 0.000 0.852 1167 E CB -0.106 29.674 29.700 0.133 0.000 0.783 1167 E HN 0.488 nan 8.360 nan 0.000 0.505 1168 Y N -1.394 119.055 120.300 0.249 0.000 2.458 1168 Y HA 0.199 4.749 4.550 0.000 0.000 0.256 1168 Y C 0.406 176.542 175.900 0.393 0.000 1.159 1168 Y CA -0.725 57.557 58.100 0.303 0.000 1.261 1168 Y CB 0.399 38.991 38.460 0.220 0.000 1.119 1168 Y HN -0.012 nan 8.280 nan 0.000 0.524 1169 C N 1.775 121.258 119.300 0.306 0.000 2.527 1169 C HA 0.769 5.229 4.460 0.000 0.000 0.396 1169 C C 0.940 175.663 174.990 -0.446 0.000 1.289 1169 C CA -0.910 58.051 59.018 -0.094 0.000 2.047 1169 C CB -0.929 26.515 27.740 -0.493 0.000 2.568 1169 C HN 0.465 nan 8.230 nan 0.000 0.573 1170 A N 8.110 130.490 122.820 -0.734 0.000 2.371 1170 A HA 0.489 4.809 4.320 0.000 0.000 0.257 1170 A C -1.083 175.944 177.584 -0.928 0.000 1.089 1170 A CA -0.842 50.421 52.037 -1.291 0.000 0.794 1170 A CB 0.119 18.679 19.000 -0.733 0.000 1.029 1170 A HN 0.800 nan 8.150 nan 0.000 0.488 1171 P HA -0.275 nan 4.420 nan 0.000 0.214 1171 P C 1.235 178.290 177.300 -0.407 0.000 1.169 1171 P CA 1.880 64.617 63.100 -0.605 0.000 0.908 1171 P CB -0.075 31.300 31.700 -0.543 0.000 0.791 1172 E N 0.240 120.231 120.200 -0.348 0.000 2.273 1172 E HA -0.124 4.226 4.350 0.000 0.000 0.198 1172 E C 1.733 178.218 176.600 -0.193 0.000 1.002 1172 E CA 1.345 57.615 56.400 -0.216 0.000 0.828 1172 E CB -1.219 28.390 29.700 -0.151 0.000 0.747 1172 E HN 0.150 nan 8.360 nan 0.000 0.491 1173 V N 1.191 120.936 119.914 -0.282 0.000 2.575 1173 V HA -0.076 4.044 4.120 0.000 0.000 0.242 1173 V C 2.622 178.533 176.094 -0.305 0.000 1.045 1173 V CA 0.714 62.850 62.300 -0.274 0.000 1.065 1173 V CB -0.391 31.178 31.823 -0.423 0.000 0.717 1173 V HN 0.140 nan 8.190 nan 0.000 0.467 1174 L N -0.282 120.718 121.223 -0.372 0.000 2.127 1174 L HA -0.197 4.144 4.340 0.000 0.000 0.211 1174 L C 2.349 179.106 176.870 -0.189 0.000 1.089 1174 L CA 1.568 56.230 54.840 -0.298 0.000 0.757 1174 L CB -0.443 41.435 42.059 -0.301 0.000 0.899 1174 L HN 0.351 nan 8.230 nan 0.000 0.434 1175 M N -0.908 118.588 119.600 -0.175 0.000 2.618 1175 M HA 0.141 4.622 4.480 0.000 0.000 0.240 1175 M C 1.303 177.559 176.300 -0.073 0.000 1.123 1175 M CA 0.927 56.157 55.300 -0.116 0.000 1.060 1175 M CB 0.078 32.608 32.600 -0.117 0.000 1.535 1175 M HN 0.429 nan 8.290 nan 0.000 0.507 1176 G N 1.381 110.140 108.800 -0.069 0.000 2.134 1176 G HA2 -0.184 3.777 3.960 0.000 0.000 0.209 1176 G HA3 -0.184 3.777 3.960 0.000 0.000 0.209 1176 G C -0.362 174.550 174.900 0.021 0.000 0.993 1176 G CA -0.520 44.572 45.100 -0.014 0.000 0.669 1176 G HN 0.481 nan 8.290 nan 0.000 0.519 1177 N N 1.495 120.198 118.700 0.006 0.000 2.479 1177 N HA 0.463 5.203 4.740 0.000 0.000 0.285 1177 N C -2.670 172.889 175.510 0.082 0.000 1.075 1177 N CA -1.023 52.048 53.050 0.035 0.000 0.967 1177 N CB 1.526 40.016 38.487 0.005 0.000 1.137 1177 N HN 0.078 nan 8.380 nan 0.000 0.472 1178 P HA 0.103 nan 4.420 nan 0.000 0.271 1178 P C -0.945 176.354 177.300 -0.002 0.000 1.218 1178 P CA 0.125 63.201 63.100 -0.040 0.000 0.780 1178 P CB 0.218 31.747 31.700 -0.284 0.000 0.901 1179 Y N -0.484 119.785 120.300 -0.050 0.000 2.549 1179 Y HA 0.619 5.169 4.550 -0.000 0.000 0.339 1179 Y C 1.396 177.345 175.900 0.082 0.000 1.053 1179 Y CA -1.336 56.773 58.100 0.014 0.000 1.105 1179 Y CB 1.076 39.557 38.460 0.035 0.000 1.258 1179 Y HN 0.194 nan 8.280 nan 0.000 0.478 1180 R N 0.476 121.084 120.500 0.180 0.000 2.066 1180 R HA 0.300 4.640 4.340 0.000 0.000 0.224 1180 R C 0.981 177.486 176.300 0.342 0.000 1.122 1180 R CA 1.724 57.919 56.100 0.157 0.000 0.974 1180 R CB -0.385 29.976 30.300 0.100 0.000 0.871 1180 R HN 1.223 nan 8.270 nan 0.000 0.435 1181 G N -1.480 107.554 108.800 0.390 0.000 4.083 1181 G HA2 -0.150 3.810 3.960 0.000 0.000 0.179 1181 G HA3 -0.150 3.810 3.960 0.000 0.000 0.179 1181 G C -1.667 173.349 174.900 0.193 0.000 2.061 1181 G CA -0.005 45.305 45.100 0.350 0.000 1.122 1181 G HN 0.182 nan 8.290 nan 0.000 0.350 1182 P HA -0.088 nan 4.420 nan 0.000 0.217 1182 P C 1.441 178.805 177.300 0.107 0.000 1.158 1182 P CA 2.172 65.336 63.100 0.107 0.000 0.887 1182 P CB -0.110 31.646 31.700 0.093 0.000 0.792 1183 E N -1.103 119.164 120.200 0.112 0.000 2.072 1183 E HA -0.139 4.212 4.350 0.000 0.000 0.191 1183 E C 1.930 178.600 176.600 0.116 0.000 0.985 1183 E CA 0.728 57.193 56.400 0.107 0.000 0.801 1183 E CB -1.112 28.640 29.700 0.087 0.000 0.750 1183 E HN 0.135 nan 8.360 nan 0.000 0.452 1184 L N 1.257 122.522 121.223 0.071 0.000 2.046 1184 L HA -0.184 4.156 4.340 0.000 0.000 0.208 1184 L C 2.234 179.171 176.870 0.111 0.000 1.077 1184 L CA 1.916 56.768 54.840 0.019 0.000 0.747 1184 L CB -0.316 41.622 42.059 -0.203 0.000 0.896 1184 L HN 0.127 nan 8.230 nan 0.000 0.432 1185 E N -0.846 119.408 120.200 0.091 0.000 2.070 1185 E HA -0.286 4.064 4.350 0.000 0.000 0.197 1185 E C 2.096 178.778 176.600 0.137 0.000 1.004 1185 E CA 1.979 58.438 56.400 0.098 0.000 0.805 1185 E CB -0.068 29.672 29.700 0.068 0.000 0.744 1185 E HN 0.424 nan 8.360 nan 0.000 0.451 1186 M N -0.095 119.593 119.600 0.147 0.000 2.213 1186 M HA -0.170 4.310 4.480 0.000 0.000 0.263 1186 M C 2.073 178.493 176.300 0.199 0.000 1.062 1186 M CA 1.125 56.519 55.300 0.157 0.000 1.105 1186 M CB -1.482 31.203 32.600 0.141 0.000 1.385 1186 M HN 0.463 nan 8.290 nan 0.000 0.417 1187 W N 1.625 122.963 121.300 0.064 0.000 2.381 1187 W HA -0.181 4.480 4.660 0.001 0.000 0.301 1187 W C 2.384 178.969 176.519 0.111 0.000 1.205 1187 W CA 2.237 59.623 57.345 0.068 0.000 1.285 1187 W CB -0.503 28.974 29.460 0.028 0.000 1.133 1187 W HN 0.438 nan 8.180 nan 0.000 0.521 1188 S N 0.819 116.725 115.700 0.343 0.000 2.399 1188 S HA -0.220 4.250 4.470 0.000 0.000 0.231 1188 S C 2.028 176.776 174.600 0.246 0.000 1.022 1188 S CA 1.419 59.825 58.200 0.343 0.000 0.983 1188 S CB -0.984 62.404 63.200 0.314 0.000 0.803 1188 S HN 0.334 nan 8.310 nan 0.000 0.480 1189 L N 1.207 122.538 121.223 0.180 0.000 2.156 1189 L HA 0.121 4.461 4.340 0.000 0.000 0.208 1189 L C 2.973 179.954 176.870 0.184 0.000 1.095 1189 L CA 0.904 55.887 54.840 0.239 0.000 0.770 1189 L CB -1.042 41.162 42.059 0.242 0.000 0.914 1189 L HN 0.522 nan 8.230 nan 0.000 0.439 1190 G N -0.168 108.628 108.800 -0.007 0.000 2.421 1190 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 1190 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 1190 G C 1.558 176.321 174.900 -0.227 0.000 1.171 1190 G CA 0.998 45.983 45.100 -0.193 0.000 0.775 1190 G HN 0.190 nan 8.290 nan 0.000 0.543 1191 V N 1.120 120.878 119.914 -0.260 0.000 2.343 1191 V HA -0.177 3.944 4.120 0.000 0.000 0.247 1191 V C 3.132 179.226 176.094 -0.000 0.000 1.051 1191 V CA 2.311 64.460 62.300 -0.252 0.000 1.036 1191 V CB -1.140 30.429 31.823 -0.424 0.000 0.654 1191 V HN 0.389 nan 8.190 nan 0.000 0.451 1192 T N 0.783 115.476 114.554 0.231 0.000 2.746 1192 T HA -0.187 4.163 4.350 0.000 0.000 0.267 1192 T C 1.905 176.679 174.700 0.124 0.000 1.039 1192 T CA 1.835 64.115 62.100 0.301 0.000 1.142 1192 T CB -0.361 68.698 68.868 0.319 0.000 0.866 1192 T HN 0.304 nan 8.240 nan 0.000 0.444 1193 L N 0.260 121.462 121.223 -0.036 0.000 2.017 1193 L HA -0.005 4.335 4.340 0.000 0.000 0.208 1193 L C 2.171 178.889 176.870 -0.252 0.000 1.073 1193 L CA 1.676 56.300 54.840 -0.360 0.000 0.745 1193 L CB -1.042 40.519 42.059 -0.829 0.000 0.894 1193 L HN 0.257 nan 8.230 nan 0.000 0.432 1194 Y N 0.280 120.427 120.300 -0.255 0.000 2.165 1194 Y HA -0.266 4.285 4.550 0.001 0.000 0.286 1194 Y C 2.400 178.249 175.900 -0.085 0.000 1.155 1194 Y CA 2.406 60.426 58.100 -0.133 0.000 1.164 1194 Y CB -0.647 37.705 38.460 -0.180 0.000 0.978 1194 Y HN 0.285 nan 8.280 nan 0.000 0.513 1195 T N 0.621 115.258 114.554 0.139 0.000 2.821 1195 T HA -0.170 4.180 4.350 0.000 0.000 0.267 1195 T C 1.817 176.522 174.700 0.008 0.000 1.046 1195 T CA 1.298 63.458 62.100 0.100 0.000 1.139 1195 T CB -0.577 68.375 68.868 0.141 0.000 0.871 1195 T HN 0.323 nan 8.240 nan 0.000 0.454 1196 L N 2.208 123.425 121.223 -0.009 0.000 2.027 1196 L HA -0.040 4.300 4.340 0.000 0.000 0.206 1196 L C 2.543 179.355 176.870 -0.098 0.000 1.074 1196 L CA 1.501 56.343 54.840 0.004 0.000 0.745 1196 L CB -0.554 41.539 42.059 0.058 0.000 0.898 1196 L HN 0.260 nan 8.230 nan 0.000 0.433 1197 V N -3.869 115.862 119.914 -0.305 0.000 2.379 1197 V HA -0.055 4.066 4.120 0.000 0.000 0.243 1197 V C 1.973 177.752 176.094 -0.526 0.000 1.035 1197 V CA 1.212 63.218 62.300 -0.490 0.000 1.035 1197 V CB -1.122 30.202 31.823 -0.832 0.000 0.673 1197 V HN 0.273 nan 8.190 nan 0.000 0.457 1198 F N 1.058 120.745 119.950 -0.438 0.000 2.765 1198 F HA 0.423 4.950 4.527 0.001 0.000 0.302 1198 F C 1.358 176.848 175.800 -0.517 0.000 1.111 1198 F CA -0.009 57.551 58.000 -0.733 0.000 1.359 1198 F CB -0.774 37.568 39.000 -1.096 0.000 1.097 1198 F HN 0.258 nan 8.300 nan 0.000 0.577 1199 E N 0.517 120.638 120.200 -0.132 0.000 2.883 1199 E HA -0.262 4.088 4.350 0.000 0.000 0.271 1199 E C -0.036 176.528 176.600 -0.061 0.000 1.049 1199 E CA 0.963 57.316 56.400 -0.079 0.000 0.817 1199 E CB -1.636 28.048 29.700 -0.027 0.000 1.407 1199 E HN 0.738 nan 8.360 nan 0.000 0.434 1200 E N -0.570 119.632 120.200 0.004 0.000 2.413 1200 E HA 0.415 4.765 4.350 0.000 0.000 0.277 1200 E C -0.757 175.920 176.600 0.129 0.000 0.958 1200 E CA -1.021 55.406 56.400 0.046 0.000 0.779 1200 E CB 1.035 30.750 29.700 0.026 0.000 1.278 1200 E HN -0.036 nan 8.360 nan 0.000 0.456 1201 N N 1.540 120.251 118.700 0.020 0.000 2.454 1201 N HA 0.026 4.766 4.740 0.000 0.000 0.254 1201 N C -1.698 173.578 175.510 -0.390 0.000 1.228 1201 N CA -0.779 52.195 53.050 -0.127 0.000 0.900 1201 N CB 0.890 39.309 38.487 -0.113 0.000 1.089 1201 N HN 0.362 nan 8.380 nan 0.000 0.449 1202 P HA -0.042 nan 4.420 nan 0.000 0.216 1202 P C -0.596 175.884 177.300 -1.367 0.000 1.150 1202 P CA 1.419 63.409 63.100 -1.850 0.000 0.837 1202 P CB 0.202 30.526 31.700 -2.294 0.000 0.786 1203 F N -3.142 116.645 119.950 -0.272 0.000 2.539 1203 F HA 0.452 4.979 4.527 0.001 0.000 0.328 1203 F C 1.582 177.332 175.800 -0.083 0.000 1.148 1203 F CA -1.163 56.753 58.000 -0.140 0.000 0.940 1203 F CB -0.596 38.355 39.000 -0.082 0.000 1.194 1203 F HN -0.092 nan 8.300 nan 0.000 0.438 1204 C N 0.692 120.044 119.300 0.087 0.000 2.429 1204 C HA 0.044 4.504 4.460 0.000 0.000 0.277 1204 C C 1.150 176.180 174.990 0.067 0.000 1.262 1204 C CA 1.163 60.214 59.018 0.055 0.000 1.733 1204 C CB -0.284 27.477 27.740 0.035 0.000 2.010 1204 C HN 0.617 nan 8.230 nan 0.000 0.483 1205 E N 0.102 120.348 120.200 0.077 0.000 2.207 1205 E HA 0.402 4.752 4.350 0.000 0.000 0.270 1205 E C 0.392 177.013 176.600 0.036 0.000 0.927 1205 E CA -0.597 55.830 56.400 0.045 0.000 0.799 1205 E CB 1.481 31.194 29.700 0.021 0.000 1.172 1205 E HN 0.225 nan 8.360 nan 0.000 0.404 1206 L N 1.853 123.081 121.223 0.009 0.000 2.131 1206 L HA -0.150 4.190 4.340 0.000 0.000 0.210 1206 L C 1.694 178.509 176.870 -0.092 0.000 1.092 1206 L CA 1.889 56.714 54.840 -0.025 0.000 0.759 1206 L CB -0.147 41.896 42.059 -0.026 0.000 0.903 1206 L HN 0.564 nan 8.230 nan 0.000 0.435 1207 E N -0.849 119.301 120.200 -0.083 0.000 2.318 1207 E HA -0.116 4.234 4.350 0.000 0.000 0.193 1207 E C 1.170 177.682 176.600 -0.147 0.000 0.998 1207 E CA 0.473 56.805 56.400 -0.114 0.000 0.859 1207 E CB 0.093 29.746 29.700 -0.078 0.000 0.812 1207 E HN 0.630 nan 8.360 nan 0.000 0.492 1208 E N 0.550 120.671 120.200 -0.130 0.000 2.405 1208 E HA -0.021 4.329 4.350 0.000 0.000 0.194 1208 E C 0.822 177.163 176.600 -0.431 0.000 1.149 1208 E CA 0.465 56.772 56.400 -0.155 0.000 0.933 1208 E CB 0.158 29.847 29.700 -0.019 0.000 1.028 1208 E HN -0.088 nan 8.360 nan 0.000 0.487 1209 T N 0.239 114.484 114.554 -0.514 0.000 3.015 1209 T HA -0.007 4.343 4.350 0.000 0.000 0.250 1209 T C 1.765 176.187 174.700 -0.463 0.000 1.057 1209 T CA 0.646 62.287 62.100 -0.765 0.000 1.066 1209 T CB 0.483 69.025 68.868 -0.542 0.000 0.959 1209 T HN 0.335 nan 8.240 nan 0.000 0.488 1210 V N 0.652 120.373 119.914 -0.321 0.000 2.626 1210 V HA 0.089 4.209 4.120 0.000 0.000 0.252 1210 V C 2.101 178.100 176.094 -0.158 0.000 1.067 1210 V CA 2.263 64.424 62.300 -0.231 0.000 1.081 1210 V CB -1.091 30.627 31.823 -0.176 0.000 0.686 1210 V HN 0.504 nan 8.190 nan 0.000 0.468 1211 E N 0.048 120.158 120.200 -0.149 0.000 2.251 1211 E HA 0.514 4.864 4.350 0.000 0.000 0.194 1211 E C 1.715 178.286 176.600 -0.048 0.000 0.964 1211 E CA 1.232 57.586 56.400 -0.078 0.000 0.868 1211 E CB -0.488 29.182 29.700 -0.049 0.000 0.828 1211 E HN 2.256 nan 8.360 nan 0.000 0.481 1212 A N -0.791 121.946 122.820 -0.139 0.000 2.687 1212 A HA 0.116 4.436 4.320 0.000 0.000 0.299 1212 A C 0.919 178.631 177.584 0.212 0.000 1.497 1212 A CA 0.835 52.860 52.037 -0.020 0.000 0.751 1212 A CB -2.369 16.756 19.000 0.208 0.000 1.048 1212 A HN 1.766 nan 8.150 nan 0.000 0.464 1213 A N 0.680 123.614 122.820 0.191 0.000 2.343 1213 A HA 0.569 4.889 4.320 0.000 0.000 0.305 1213 A C 0.412 178.076 177.584 0.133 0.000 1.308 1213 A CA 0.215 52.327 52.037 0.125 0.000 0.949 1213 A CB -0.406 18.671 19.000 0.128 0.000 1.148 1213 A HN 1.719 nan 8.150 nan 0.000 0.545 1214 I N 0.414 120.945 120.570 -0.066 0.000 2.331 1214 I HA 0.443 4.613 4.170 0.000 0.000 0.292 1214 I C -0.549 175.355 176.117 -0.354 0.000 0.998 1214 I CA -0.397 60.785 61.300 -0.196 0.000 1.267 1214 I CB 0.952 38.814 38.000 -0.231 0.000 1.386 1214 I HN 0.517 nan 8.210 nan 0.000 0.476 1215 H N 5.862 124.855 119.070 -0.128 0.000 2.645 1215 H HA 0.379 4.935 4.556 0.000 0.000 0.257 1215 H C -2.324 172.870 175.328 -0.224 0.000 1.269 1215 H CA -1.479 54.486 56.048 -0.137 0.000 1.409 1215 H CB 0.850 30.558 29.762 -0.089 0.000 1.434 1215 H HN 0.513 nan 8.280 nan 0.000 0.505 1216 P HA 0.010 nan 4.420 nan 0.000 0.265 1216 P C -1.512 175.534 177.300 -0.423 0.000 1.193 1216 P CA -0.955 61.681 63.100 -0.773 0.000 0.765 1216 P CB 0.899 31.922 31.700 -1.127 0.000 0.823 1217 P HA -0.077 nan 4.420 nan 0.000 0.222 1217 P C -0.228 177.149 177.300 0.129 0.000 1.153 1217 P CA 1.356 64.361 63.100 -0.158 0.000 0.798 1217 P CB 0.194 31.729 31.700 -0.277 0.000 0.796 1218 Y N -0.529 119.804 120.300 0.056 0.000 2.457 1218 Y HA 0.420 4.971 4.550 0.001 0.000 0.333 1218 Y C 0.568 176.539 175.900 0.118 0.000 1.119 1218 Y CA -2.784 55.395 58.100 0.132 0.000 1.143 1218 Y CB 0.194 38.787 38.460 0.221 0.000 1.230 1218 Y HN -0.273 nan 8.280 nan 0.000 0.469 1219 L N 4.120 125.483 121.223 0.234 0.000 2.313 1219 L HA 0.529 4.870 4.340 0.000 0.000 0.282 1219 L C -0.283 176.676 176.870 0.148 0.000 1.092 1219 L CA -0.259 54.666 54.840 0.142 0.000 0.831 1219 L CB -0.157 41.947 42.059 0.075 0.000 1.159 1219 L HN 0.442 nan 8.230 nan 0.000 0.442 1220 V N 1.665 121.665 119.914 0.144 0.000 3.102 1220 V HA 0.789 4.909 4.120 0.000 0.000 0.312 1220 V C 0.096 176.230 176.094 0.068 0.000 1.135 1220 V CA -0.512 61.850 62.300 0.104 0.000 1.022 1220 V CB 1.408 33.288 31.823 0.094 0.000 1.056 1220 V HN 0.847 nan 8.190 nan 0.000 0.436 1221 S N 0.711 116.450 115.700 0.065 0.000 2.576 1221 S HA 0.386 4.856 4.470 0.000 0.000 0.272 1221 S C 1.331 175.950 174.600 0.031 0.000 1.352 1221 S CA 0.350 58.589 58.200 0.065 0.000 1.021 1221 S CB 0.787 64.058 63.200 0.117 0.000 0.887 1221 S HN 1.741 nan 8.310 nan 0.000 0.542 1222 K N 1.000 121.420 120.400 0.033 0.000 2.209 1222 K HA -0.090 4.230 4.320 0.000 0.000 0.204 1222 K C 1.773 178.377 176.600 0.006 0.000 1.048 1222 K CA 2.006 58.303 56.287 0.016 0.000 0.940 1222 K CB -1.233 31.280 32.500 0.022 0.000 0.729 1222 K HN 0.827 nan 8.250 nan 0.000 0.451 1223 E N -0.255 119.968 120.200 0.039 0.000 2.152 1223 E HA -0.006 4.345 4.350 0.000 0.000 0.192 1223 E C 1.918 178.487 176.600 -0.051 0.000 0.983 1223 E CA 0.917 57.354 56.400 0.061 0.000 0.818 1223 E CB -0.059 29.744 29.700 0.172 0.000 0.758 1223 E HN 0.408 nan 8.360 nan 0.000 0.467 1224 L N -0.135 120.954 121.223 -0.224 0.000 2.068 1224 L HA -0.039 4.301 4.340 0.000 0.000 0.204 1224 L C 1.878 178.531 176.870 -0.361 0.000 1.076 1224 L CA 1.527 55.971 54.840 -0.660 0.000 0.753 1224 L CB -0.372 41.136 42.059 -0.920 0.000 0.910 1224 L HN 0.134 nan 8.230 nan 0.000 0.439 1225 M N -0.149 119.345 119.600 -0.176 0.000 2.108 1225 M HA -0.212 4.268 4.480 0.000 0.000 0.257 1225 M C 2.547 178.794 176.300 -0.089 0.000 1.071 1225 M CA 2.117 57.362 55.300 -0.092 0.000 1.093 1225 M CB -1.461 31.113 32.600 -0.043 0.000 1.345 1225 M HN 0.651 nan 8.290 nan 0.000 0.403 1226 S N -0.172 115.483 115.700 -0.074 0.000 2.406 1226 S HA -0.099 4.372 4.470 0.000 0.000 0.228 1226 S C 1.880 176.446 174.600 -0.058 0.000 1.020 1226 S CA 0.856 59.028 58.200 -0.046 0.000 0.965 1226 S CB -0.772 62.419 63.200 -0.014 0.000 0.798 1226 S HN 0.405 nan 8.310 nan 0.000 0.488 1227 L N 2.923 124.084 121.223 -0.104 0.000 2.017 1227 L HA -0.007 4.333 4.340 0.000 0.000 0.208 1227 L C 2.563 179.352 176.870 -0.135 0.000 1.073 1227 L CA 2.055 56.829 54.840 -0.109 0.000 0.745 1227 L CB -0.891 41.065 42.059 -0.173 0.000 0.894 1227 L HN 0.358 nan 8.230 nan 0.000 0.432 1228 V N -3.606 116.192 119.914 -0.194 0.000 2.358 1228 V HA -0.159 3.961 4.120 0.000 0.000 0.246 1228 V C 2.349 178.379 176.094 -0.106 0.000 1.047 1228 V CA 1.829 64.033 62.300 -0.160 0.000 1.035 1228 V CB -1.480 30.280 31.823 -0.104 0.000 0.658 1228 V HN 0.450 nan 8.190 nan 0.000 0.452 1229 S N 1.535 117.191 115.700 -0.075 0.000 2.368 1229 S HA -0.044 4.426 4.470 0.000 0.000 0.225 1229 S C 2.104 176.693 174.600 -0.018 0.000 1.030 1229 S CA 1.557 59.730 58.200 -0.044 0.000 0.999 1229 S CB -1.011 62.167 63.200 -0.036 0.000 0.844 1229 S HN 0.827 nan 8.310 nan 0.000 0.459 1230 G N 1.844 110.635 108.800 -0.015 0.000 2.446 1230 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 1230 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 1230 G C 1.300 176.218 174.900 0.031 0.000 1.168 1230 G CA 0.834 45.944 45.100 0.016 0.000 0.771 1230 G HN 0.465 nan 8.290 nan 0.000 0.551 1231 L N -0.264 120.958 121.223 -0.002 0.000 2.240 1231 L HA 0.217 4.558 4.340 0.000 0.000 0.211 1231 L C 1.644 178.479 176.870 -0.058 0.000 1.106 1231 L CA 0.234 55.075 54.840 0.002 0.000 0.793 1231 L CB -0.098 41.948 42.059 -0.022 0.000 0.927 1231 L HN 0.099 nan 8.230 nan 0.000 0.446 1232 L N 0.763 121.891 121.223 -0.158 0.000 3.001 1232 L HA 0.150 4.490 4.340 0.000 0.000 0.234 1232 L C 0.173 177.117 176.870 0.122 0.000 1.321 1232 L CA -0.322 54.318 54.840 -0.333 0.000 1.138 1232 L CB -0.170 41.631 42.059 -0.429 0.000 1.503 1232 L HN 0.172 nan 8.230 nan 0.000 0.487 1233 Q N 0.928 120.876 119.800 0.246 0.000 2.303 1233 Q HA 0.276 4.616 4.340 0.000 0.000 0.257 1233 Q C -1.974 174.211 176.000 0.308 0.000 0.941 1233 Q CA -1.649 54.292 55.803 0.231 0.000 0.931 1233 Q CB 1.661 30.478 28.738 0.132 0.000 1.215 1233 Q HN -0.078 nan 8.270 nan 0.000 0.437 1234 P HA -0.105 nan 4.420 nan 0.000 0.218 1234 P C -0.522 176.761 177.300 -0.027 0.000 1.149 1234 P CA 0.694 63.815 63.100 0.035 0.000 0.817 1234 P CB 0.214 31.903 31.700 -0.018 0.000 0.785 1235 V N 1.676 121.600 119.914 0.018 0.000 2.389 1235 V HA 0.112 4.232 4.120 0.000 0.000 0.264 1235 V C -1.303 174.807 176.094 0.028 0.000 1.049 1235 V CA -1.245 61.058 62.300 0.004 0.000 0.932 1235 V CB 0.674 32.503 31.823 0.010 0.000 1.011 1235 V HN 0.009 nan 8.190 nan 0.000 0.475 1236 P HA -0.196 nan 4.420 nan 0.000 0.216 1236 P C 1.310 178.638 177.300 0.046 0.000 1.150 1236 P CA 1.266 64.385 63.100 0.032 0.000 0.843 1236 P CB 0.226 31.933 31.700 0.011 0.000 0.787 1237 E N -0.600 119.621 120.200 0.034 0.000 2.478 1237 E HA -0.033 4.317 4.350 0.000 0.000 0.194 1237 E C 1.502 178.125 176.600 0.038 0.000 1.045 1237 E CA 0.484 56.905 56.400 0.035 0.000 0.868 1237 E CB -0.335 29.380 29.700 0.025 0.000 0.885 1237 E HN 0.350 nan 8.360 nan 0.000 0.505 1238 R N 0.725 121.250 120.500 0.042 0.000 2.308 1238 R HA 0.193 4.534 4.340 0.000 0.000 0.202 1238 R C 1.064 177.400 176.300 0.059 0.000 0.898 1238 R CA -0.296 55.831 56.100 0.045 0.000 1.046 1238 R CB 0.400 30.723 30.300 0.039 0.000 1.026 1238 R HN -0.058 nan 8.270 nan 0.000 0.512 1239 R N 2.117 122.662 120.500 0.076 0.000 2.389 1239 R HA 0.062 4.402 4.340 0.000 0.000 0.295 1239 R C -0.578 175.772 176.300 0.084 0.000 1.075 1239 R CA 0.021 56.179 56.100 0.098 0.000 1.005 1239 R CB 0.678 31.062 30.300 0.140 0.000 0.987 1239 R HN -0.118 nan 8.270 nan 0.000 0.452 1240 T N 3.233 117.835 114.554 0.079 0.000 2.830 1240 T HA -0.140 4.210 4.350 0.000 0.000 0.282 1240 T C 0.502 175.250 174.700 0.080 0.000 1.024 1240 T CA 0.763 62.907 62.100 0.074 0.000 1.144 1240 T CB 0.439 69.352 68.868 0.075 0.000 1.035 1240 T HN 0.603 nan 8.240 nan 0.000 0.507 1241 T N 1.780 116.376 114.554 0.070 0.000 2.847 1241 T HA 0.298 4.648 4.350 0.000 0.000 0.279 1241 T C 1.378 176.117 174.700 0.066 0.000 0.984 1241 T CA -0.925 61.215 62.100 0.066 0.000 0.988 1241 T CB 0.578 69.479 68.868 0.055 0.000 1.040 1241 T HN 0.462 nan 8.240 nan 0.000 0.528 1242 L N 2.064 123.321 121.223 0.057 0.000 2.056 1242 L HA 0.065 4.405 4.340 0.000 0.000 0.207 1242 L C 2.341 179.236 176.870 0.042 0.000 1.078 1242 L CA 1.969 56.837 54.840 0.046 0.000 0.749 1242 L CB -0.736 41.343 42.059 0.032 0.000 0.901 1242 L HN 0.723 nan 8.230 nan 0.000 0.433 1243 E N -0.127 120.098 120.200 0.041 0.000 2.097 1243 E HA -0.274 4.077 4.350 0.000 0.000 0.196 1243 E C 2.193 178.821 176.600 0.046 0.000 1.000 1243 E CA 1.575 57.999 56.400 0.039 0.000 0.804 1243 E CB -0.292 29.430 29.700 0.036 0.000 0.740 1243 E HN 0.421 nan 8.360 nan 0.000 0.454 1244 K N 0.196 120.627 120.400 0.052 0.000 2.103 1244 K HA -0.027 4.293 4.320 0.000 0.000 0.204 1244 K C 2.075 178.720 176.600 0.075 0.000 1.052 1244 K CA 0.483 56.806 56.287 0.060 0.000 0.945 1244 K CB -0.075 32.461 32.500 0.060 0.000 0.722 1244 K HN 0.156 nan 8.250 nan 0.000 0.443 1245 L N 1.076 122.347 121.223 0.080 0.000 2.017 1245 L HA -0.183 4.158 4.340 0.000 0.000 0.208 1245 L C 2.122 179.051 176.870 0.099 0.000 1.073 1245 L CA 1.351 56.255 54.840 0.107 0.000 0.745 1245 L CB -0.255 41.865 42.059 0.101 0.000 0.894 1245 L HN 0.044 nan 8.230 nan 0.000 0.432 1246 V N -1.237 118.713 119.914 0.061 0.000 2.490 1246 V HA -0.271 3.849 4.120 0.000 0.000 0.250 1246 V C 2.340 178.470 176.094 0.060 0.000 1.061 1246 V CA 2.191 64.519 62.300 0.045 0.000 1.064 1246 V CB -0.793 31.047 31.823 0.028 0.000 0.670 1246 V HN 0.465 nan 8.190 nan 0.000 0.461 1247 T N -1.251 113.342 114.554 0.065 0.000 3.107 1247 T HA 0.002 4.352 4.350 0.000 0.000 0.249 1247 T C 0.709 175.457 174.700 0.079 0.000 1.096 1247 T CA -0.186 61.951 62.100 0.063 0.000 1.012 1247 T CB -0.543 68.357 68.868 0.052 0.000 0.977 1247 T HN 0.526 nan 8.240 nan 0.000 0.527 1248 D N 1.538 122.002 120.400 0.107 0.000 2.424 1248 D HA 0.056 4.696 4.640 0.000 0.000 0.244 1248 D C -1.653 174.733 176.300 0.144 0.000 1.134 1248 D CA -1.686 52.397 54.000 0.137 0.000 0.881 1248 D CB 1.906 42.818 40.800 0.188 0.000 1.191 1248 D HN 0.102 nan 8.370 nan 0.000 0.445 1249 P HA -0.073 nan 4.420 nan 0.000 0.218 1249 P C 1.132 178.523 177.300 0.152 0.000 1.149 1249 P CA 0.716 63.888 63.100 0.121 0.000 0.817 1249 P CB 0.071 31.837 31.700 0.110 0.000 0.785 1250 W N -0.008 121.319 121.300 0.045 0.000 2.381 1250 W HA -0.133 4.528 4.660 0.001 0.000 0.301 1250 W C 1.954 178.516 176.519 0.072 0.000 1.205 1250 W CA 1.167 58.538 57.345 0.043 0.000 1.285 1250 W CB -0.691 28.783 29.460 0.024 0.000 1.133 1250 W HN -0.326 nan 8.180 nan 0.000 0.521 1251 V N 0.297 120.390 119.914 0.299 0.000 2.515 1251 V HA -0.265 3.855 4.120 0.000 0.000 0.250 1251 V C 2.189 178.300 176.094 0.028 0.000 1.058 1251 V CA 2.419 64.842 62.300 0.204 0.000 1.064 1251 V CB -1.319 30.666 31.823 0.270 0.000 0.675 1251 V HN 0.407 nan 8.190 nan 0.000 0.461 1252 T N -1.540 113.029 114.554 0.025 0.000 3.060 1252 T HA 0.095 4.445 4.350 0.000 0.000 0.249 1252 T C 0.865 175.546 174.700 -0.032 0.000 1.079 1252 T CA -0.238 61.865 62.100 0.005 0.000 1.013 1252 T CB -0.272 68.614 68.868 0.030 0.000 0.975 1252 T HN 0.703 nan 8.240 nan 0.000 0.518 1253 Q N 1.881 121.628 119.800 -0.088 0.000 2.354 1253 Q HA 0.171 4.511 4.340 0.000 0.000 0.310 1253 Q C -2.550 173.401 176.000 -0.082 0.000 1.104 1253 Q CA -1.355 54.386 55.803 -0.103 0.000 0.968 1253 Q CB -0.718 27.904 28.738 -0.193 0.000 1.251 1253 Q HN 0.105 nan 8.270 nan 0.000 0.411 1254 P HA -0.007 nan 4.420 nan 0.000 0.262 1254 P C -1.229 176.043 177.300 -0.047 0.000 1.182 1254 P CA -0.013 63.064 63.100 -0.038 0.000 0.761 1254 P CB 0.749 32.432 31.700 -0.027 0.000 0.795 1255 V N 4.190 124.083 119.914 -0.035 0.000 2.623 1255 V HA 0.363 4.483 4.120 0.000 0.000 0.304 1255 V C -0.946 175.132 176.094 -0.027 0.000 1.054 1255 V CA -0.737 61.550 62.300 -0.021 0.000 0.882 1255 V CB 1.782 33.578 31.823 -0.046 0.000 1.002 1255 V HN 0.466 nan 8.190 nan 0.000 0.424 1256 N N 5.978 124.677 118.700 -0.002 0.000 2.527 1256 N HA 0.310 5.050 4.740 0.000 0.000 0.236 1256 N C 0.811 176.304 175.510 -0.027 0.000 0.999 1256 N CA -0.286 52.736 53.050 -0.046 0.000 0.935 1256 N CB 1.576 40.013 38.487 -0.083 0.000 1.132 1256 N HN 0.793 nan 8.380 nan 0.000 0.511 1257 L N 2.494 123.697 121.223 -0.033 0.000 2.201 1257 L HA -0.084 4.256 4.340 0.000 0.000 0.212 1257 L C 2.252 179.154 176.870 0.054 0.000 1.105 1257 L CA 0.794 55.652 54.840 0.031 0.000 0.775 1257 L CB -0.140 41.849 42.059 -0.116 0.000 0.913 1257 L HN 0.549 nan 8.230 nan 0.000 0.440 1258 A N -0.418 122.386 122.820 -0.027 0.000 2.125 1258 A HA -0.203 4.117 4.320 0.000 0.000 0.219 1258 A C 1.578 179.097 177.584 -0.109 0.000 1.156 1258 A CA 1.612 53.629 52.037 -0.034 0.000 0.671 1258 A CB -0.426 18.550 19.000 -0.040 0.000 0.794 1258 A HN 0.335 nan 8.150 nan 0.000 0.459 1259 D N -1.856 118.373 120.400 -0.285 0.000 2.363 1259 D HA 0.076 4.716 4.640 0.000 0.000 0.220 1259 D C -0.568 175.355 176.300 -0.629 0.000 0.994 1259 D CA 0.839 54.521 54.000 -0.529 0.000 0.890 1259 D CB -0.063 40.251 40.800 -0.810 0.000 0.906 1259 D HN 0.562 nan 8.370 nan 0.000 0.530 1260 Y N -0.456 119.841 120.300 -0.005 0.000 2.364 1260 Y HA 0.485 5.036 4.550 0.001 0.000 0.340 1260 Y C 0.185 176.231 175.900 0.244 0.000 0.975 1260 Y CA -1.004 57.113 58.100 0.029 0.000 1.089 1260 Y CB 1.857 40.187 38.460 -0.216 0.000 1.192 1260 Y HN -0.395 nan 8.280 nan 0.000 0.454 1261 T N 2.858 117.671 114.554 0.432 0.000 2.824 1261 T HA 0.026 4.376 4.350 0.000 0.000 0.282 1261 T C 0.320 175.360 174.700 0.567 0.000 0.993 1261 T CA -0.734 61.622 62.100 0.427 0.000 0.967 1261 T CB 1.166 70.176 68.868 0.237 0.000 0.960 1261 T HN 0.903 nan 8.240 nan 0.000 0.441 1262 W N 2.853 124.346 121.300 0.320 0.000 2.338 1262 W HA -0.195 4.465 4.660 0.000 0.000 0.304 1262 W C 1.817 178.495 176.519 0.265 0.000 1.212 1262 W CA 2.235 59.708 57.345 0.213 0.000 1.264 1262 W CB -0.195 29.211 29.460 -0.090 0.000 1.142 1262 W HN 0.942 nan 8.180 nan 0.000 0.512 1263 E N 0.894 121.251 120.200 0.261 0.000 2.338 1263 E HA -0.213 4.137 4.350 0.000 0.000 0.197 1263 E C 1.551 178.175 176.600 0.040 0.000 1.007 1263 E CA 1.694 58.169 56.400 0.125 0.000 0.849 1263 E CB -0.674 29.120 29.700 0.157 0.000 0.774 1263 E HN 0.684 nan 8.360 nan 0.000 0.506 1264 E N -0.750 119.501 120.200 0.085 0.000 2.389 1264 E HA 0.092 4.442 4.350 0.000 0.000 0.199 1264 E C 2.061 178.686 176.600 0.041 0.000 0.978 1264 E CA 0.609 57.043 56.400 0.056 0.000 0.912 1264 E CB 0.814 30.566 29.700 0.087 0.000 0.907 1264 E HN 0.376 nan 8.360 nan 0.000 0.494 1265 V N 0.682 120.648 119.914 0.087 0.000 2.500 1265 V HA -0.008 4.112 4.120 0.000 0.000 0.243 1265 V C 0.372 176.439 176.094 -0.046 0.000 1.039 1265 V CA 0.888 63.234 62.300 0.077 0.000 1.053 1265 V CB 0.061 32.052 31.823 0.280 0.000 0.695 1265 V HN 0.112 nan 8.190 nan 0.000 0.463 1266 F N 1.207 120.904 119.950 -0.422 0.000 2.460 1266 F HA 0.715 5.242 4.527 0.000 0.000 0.341 1266 F C 0.097 175.678 175.800 -0.365 0.000 1.130 1266 F CA -0.995 56.679 58.000 -0.543 0.000 0.962 1266 F CB 0.899 39.295 39.000 -1.006 0.000 1.171 1266 F HN -0.117 nan 8.300 nan 0.000 0.436 1267 R N 0.000 120.100 120.500 -0.667 0.000 2.786 1267 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1267 R CA 0.000 55.851 56.100 -0.415 0.000 0.921 1267 R CB 0.000 30.155 30.300 -0.242 0.000 0.687 1267 R HN 0.000 nan 8.270 nan 0.000 0.535