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 3eu7_1_A DATA FIRST_RESID 854 DATA SEQUENCE NLQLVSELKN PSGSCSVDVS AMFWEXXGCK EPCIITACED VVSLWKALDA DATA SEQUENCE WQWEKLYTWH FAEVPVLQIV PVPDVYNLVC VALGNLEIRE IRALFCXXXX DATA SEQUENCE XSEKQVLLKS GNIKAVLGLT KRRLVSSSGT LSDQQVEVMT FAXXGGGKEN DATA SEQUENCE QFLMPPEETI LTFAEVQGMQ EALLGTTIMN NIVIWNLKTG QLLKKMHIDD DATA SEQUENCE SYQASVCHKA YSEMGLLFIV LSHXXXXXXX XXXXPVFQLI VINPKTTLSV DATA SEQUENCE GVMLYCLPPG QAGRFLEGDV KDHXAAAILT SGTIAIWDLL LGQCTALLPP DATA SEQUENCE VSDQHWSFVK WSGTDSHLLA GQKDGNIFVY HYS 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 854 N HA 0.000 nan 4.740 nan 0.000 0.220 854 N C 0.000 175.545 175.510 0.058 0.000 1.280 854 N CA 0.000 53.065 53.050 0.026 0.000 0.885 854 N CB 0.000 38.497 38.487 0.016 0.000 1.341 855 L N 1.269 122.515 121.223 0.038 0.000 2.264 855 L HA 0.508 4.766 4.340 -0.136 0.000 0.289 855 L C 0.099 177.097 176.870 0.213 0.000 1.044 855 L CA -0.322 54.567 54.840 0.082 0.000 0.807 855 L CB 1.664 43.650 42.059 -0.122 0.000 1.192 855 L HN 0.775 nan 8.230 nan 0.000 0.425 856 Q N 4.057 124.049 119.800 0.319 0.000 2.381 856 Q HA 0.235 4.494 4.340 -0.136 0.000 0.263 856 Q C -0.828 175.344 176.000 0.286 0.000 1.030 856 Q CA -1.121 54.857 55.803 0.291 0.000 0.772 856 Q CB 1.662 30.539 28.738 0.233 0.000 1.232 856 Q HN 0.483 nan 8.270 nan 0.000 0.476 857 L N 5.740 127.090 121.223 0.212 0.000 2.700 857 L HA -0.093 4.165 4.340 -0.136 0.000 0.272 857 L C 0.351 177.185 176.870 -0.060 0.000 1.176 857 L CA 0.910 55.646 54.840 -0.174 0.000 0.961 857 L CB 0.714 42.681 42.059 -0.153 0.000 1.249 857 L HN 0.647 nan 8.230 nan 0.000 0.487 858 V N 1.162 121.040 119.914 -0.061 0.000 3.455 858 V HA 0.494 4.533 4.120 -0.136 0.000 0.250 858 V C 0.612 176.749 176.094 0.070 0.000 1.230 858 V CA 0.784 63.100 62.300 0.028 0.000 1.105 858 V CB -0.281 31.588 31.823 0.076 0.000 0.850 858 V HN 0.895 nan 8.190 nan 0.000 0.461 859 S N 0.167 115.909 115.700 0.071 0.000 2.636 859 S HA 0.724 5.112 4.470 -0.136 0.000 0.268 859 S C -1.199 173.513 174.600 0.186 0.000 1.159 859 S CA -0.004 58.343 58.200 0.243 0.000 0.815 859 S CB 2.259 65.657 63.200 0.331 0.000 1.130 859 S HN 0.965 nan 8.310 nan 0.000 0.471 860 E N 0.044 120.416 120.200 0.288 0.000 2.429 860 E HA 0.720 4.988 4.350 -0.136 0.000 0.280 860 E C -2.013 174.578 176.600 -0.016 0.000 1.068 860 E CA -1.223 55.173 56.400 -0.007 0.000 0.837 860 E CB 1.518 31.138 29.700 -0.134 0.000 1.357 860 E HN 0.748 nan 8.360 nan 0.000 0.455 861 L N 0.832 121.860 121.223 -0.325 0.000 2.516 861 L HA 0.488 4.746 4.340 -0.136 0.000 0.267 861 L C -1.652 174.971 176.870 -0.413 0.000 0.957 861 L CA -0.567 54.023 54.840 -0.416 0.000 0.860 861 L CB 1.594 43.184 42.059 -0.782 0.000 1.265 861 L HN 0.511 nan 8.230 nan 0.000 0.403 862 K N 3.073 123.319 120.400 -0.257 0.000 2.206 862 K HA 0.384 4.623 4.320 -0.136 0.000 0.264 862 K C -0.814 175.737 176.600 -0.081 0.000 0.967 862 K CA -0.721 55.473 56.287 -0.155 0.000 0.844 862 K CB 1.794 34.265 32.500 -0.048 0.000 1.099 862 K HN 0.364 nan 8.250 nan 0.000 0.441 863 N N 3.304 121.987 118.700 -0.028 0.000 2.791 863 N HA 0.143 4.801 4.740 -0.136 0.000 0.265 863 N C -2.550 173.031 175.510 0.119 0.000 1.580 863 N CA -1.886 51.236 53.050 0.119 0.000 0.809 863 N CB 0.759 39.320 38.487 0.124 0.000 1.178 863 N HN 0.267 nan 8.380 nan 0.000 0.499 864 P HA 0.090 nan 4.420 nan 0.000 0.264 864 P C 0.024 177.381 177.300 0.094 0.000 1.537 864 P CA 0.128 63.278 63.100 0.084 0.000 1.189 864 P CB -0.195 31.547 31.700 0.071 0.000 1.687 865 S N 0.747 116.507 115.700 0.100 0.000 2.554 865 S HA 0.268 4.656 4.470 -0.136 0.000 0.226 865 S C 1.538 176.190 174.600 0.087 0.000 0.980 865 S CA 0.216 58.477 58.200 0.102 0.000 0.939 865 S CB -0.592 62.681 63.200 0.123 0.000 0.832 865 S HN 0.462 nan 8.310 nan 0.000 0.486 866 G N 0.911 109.756 108.800 0.074 0.000 2.361 866 G HA2 -0.236 3.643 3.960 -0.136 0.000 0.294 866 G HA3 -0.236 3.643 3.960 -0.136 0.000 0.294 866 G C -0.030 174.912 174.900 0.070 0.000 1.004 866 G CA 0.636 45.774 45.100 0.064 0.000 0.870 866 G HN 1.058 nan 8.290 nan 0.000 0.510 867 S N -1.999 113.749 115.700 0.080 0.000 2.543 867 S HA 0.468 4.856 4.470 -0.136 0.000 0.271 867 S C 0.224 174.877 174.600 0.088 0.000 1.148 867 S CA -0.006 58.245 58.200 0.084 0.000 0.914 867 S CB 1.231 64.490 63.200 0.097 0.000 1.096 867 S HN 1.121 nan 8.310 nan 0.000 0.471 868 C N 3.884 123.233 119.300 0.082 0.000 2.596 868 C HA 0.435 4.813 4.460 -0.136 0.000 0.414 868 C C 0.979 176.037 174.990 0.113 0.000 1.396 868 C CA 0.327 59.401 59.018 0.093 0.000 1.698 868 C CB -0.899 26.889 27.740 0.080 0.000 2.572 868 C HN 0.843 nan 8.230 nan 0.000 0.604 869 S N 2.878 118.674 115.700 0.161 0.000 2.545 869 S HA 0.348 4.737 4.470 -0.136 0.000 0.275 869 S C 0.834 175.593 174.600 0.264 0.000 1.299 869 S CA -0.313 58.019 58.200 0.220 0.000 1.048 869 S CB 1.218 64.615 63.200 0.329 0.000 0.938 869 S HN 0.881 nan 8.310 nan 0.000 0.496 870 V N -0.261 119.653 119.914 0.000 0.000 3.539 870 V HA 0.504 4.542 4.120 -0.136 0.000 0.262 870 V C 0.092 175.731 176.094 -0.759 0.000 1.381 870 V CA -0.043 62.163 62.300 -0.157 0.000 1.060 870 V CB 0.190 31.956 31.823 -0.096 0.000 0.842 870 V HN 0.633 nan 8.190 nan 0.000 0.445 871 D N -1.450 118.279 120.400 -1.119 0.000 2.683 871 D HA 0.625 5.183 4.640 -0.136 0.000 0.246 871 D C -1.748 174.098 176.300 -0.756 0.000 1.238 871 D CA 0.132 53.449 54.000 -1.138 0.000 0.759 871 D CB 2.704 43.223 40.800 -0.467 0.000 1.349 871 D HN 0.128 nan 8.370 nan 0.000 0.426 872 V N 0.744 120.394 119.914 -0.440 0.000 3.147 872 V HA 0.930 4.968 4.120 -0.136 0.000 0.306 872 V C -1.535 174.515 176.094 -0.075 0.000 1.209 872 V CA 0.260 62.479 62.300 -0.135 0.000 1.023 872 V CB 2.012 33.865 31.823 0.051 0.000 1.059 872 V HN 0.872 nan 8.190 nan 0.000 0.435 873 S N 3.594 119.264 115.700 -0.050 0.000 2.567 873 S HA 0.904 5.292 4.470 -0.136 0.000 0.270 873 S C -0.925 173.660 174.600 -0.024 0.000 1.152 873 S CA -0.146 58.043 58.200 -0.018 0.000 0.835 873 S CB 1.480 64.682 63.200 0.003 0.000 1.115 873 S HN 2.234 nan 8.310 nan 0.000 0.459 874 A N 2.749 125.563 122.820 -0.010 0.000 2.318 874 A HA 0.863 5.102 4.320 -0.136 0.000 0.324 874 A C -0.200 177.375 177.584 -0.015 0.000 1.170 874 A CA -0.856 51.165 52.037 -0.027 0.000 0.810 874 A CB 0.790 19.767 19.000 -0.039 0.000 1.198 874 A HN 1.545 nan 8.150 nan 0.000 0.484 875 M N 0.700 120.305 119.600 0.009 0.000 2.618 875 M HA 0.794 5.192 4.480 -0.136 0.000 0.281 875 M C -1.831 174.487 176.300 0.030 0.000 1.267 875 M CA -0.569 54.759 55.300 0.048 0.000 0.845 875 M CB 1.449 34.182 32.600 0.221 0.000 1.732 875 M HN 0.347 nan 8.290 nan 0.000 0.461 876 F N 1.800 121.928 119.950 0.296 0.000 2.412 876 F HA 0.387 4.831 4.527 -0.139 0.000 0.348 876 F C 0.278 176.292 175.800 0.357 0.000 1.102 876 F CA 0.034 58.156 58.000 0.203 0.000 1.196 876 F CB 0.710 39.632 39.000 -0.130 0.000 1.144 876 F HN 0.544 nan 8.300 nan 0.000 0.541 877 W N 1.440 122.921 121.300 0.301 0.000 2.093 877 W HA 0.609 5.187 4.660 -0.137 0.000 0.626 877 W C -0.237 176.400 176.519 0.197 0.000 1.436 877 W CA 0.364 57.868 57.345 0.264 0.000 1.314 877 W CB 0.684 30.303 29.460 0.265 0.000 3.308 877 W HN 0.449 nan 8.180 nan 0.000 0.758 882 C N 0.431 119.749 119.300 0.029 0.000 2.880 882 C HA 0.543 4.922 4.460 -0.136 0.000 0.320 882 C C 0.254 175.240 174.990 -0.006 0.000 1.176 882 C CA -1.341 57.676 59.018 -0.001 0.000 1.390 882 C CB 1.796 29.544 27.740 0.014 0.000 1.846 882 C HN 0.358 nan 8.230 nan 0.000 0.478 883 K N 1.848 122.184 120.400 -0.106 0.000 2.472 883 K HA 0.410 4.649 4.320 -0.136 0.000 0.280 883 K C 0.239 176.866 176.600 0.044 0.000 1.028 883 K CA 0.992 57.182 56.287 -0.163 0.000 1.045 883 K CB 0.277 32.473 32.500 -0.506 0.000 0.902 883 K HN 0.875 nan 8.250 nan 0.000 0.478 884 E N 4.837 125.190 120.200 0.255 0.000 2.290 884 E HA 0.265 4.534 4.350 -0.136 0.000 0.274 884 E C -2.854 174.025 176.600 0.466 0.000 0.889 884 E CA -2.147 54.454 56.400 0.334 0.000 0.760 884 E CB 1.221 31.069 29.700 0.246 0.000 1.206 884 E HN 0.321 nan 8.360 nan 0.000 0.419 885 P HA 0.323 nan 4.420 nan 0.000 0.266 885 P C -0.411 177.076 177.300 0.312 0.000 1.215 885 P CA -0.032 63.215 63.100 0.244 0.000 0.763 885 P CB 0.285 32.120 31.700 0.225 0.000 0.806 886 C N 4.181 123.642 119.300 0.268 0.000 2.822 886 C HA 0.617 4.995 4.460 -0.136 0.000 0.341 886 C C 0.416 175.490 174.990 0.140 0.000 1.301 886 C CA -0.557 58.651 59.018 0.317 0.000 1.706 886 C CB 1.596 29.505 27.740 0.282 0.000 2.178 886 C HN 0.471 nan 8.230 nan 0.000 0.481 887 I N 2.376 122.980 120.570 0.056 0.000 2.465 887 I HA 0.430 4.519 4.170 -0.136 0.000 0.291 887 I C -0.883 175.270 176.117 0.061 0.000 1.014 887 I CA -0.278 60.933 61.300 -0.148 0.000 1.093 887 I CB 1.286 38.894 38.000 -0.653 0.000 1.267 887 I HN 0.333 nan 8.210 nan 0.000 0.431 888 I N 4.872 125.471 120.570 0.047 0.000 2.359 888 I HA 0.340 4.428 4.170 -0.136 0.000 0.294 888 I C 0.368 176.529 176.117 0.074 0.000 0.987 888 I CA -0.352 61.023 61.300 0.125 0.000 1.225 888 I CB 1.463 39.511 38.000 0.080 0.000 1.366 888 I HN 0.543 nan 8.210 nan 0.000 0.466 889 T N 2.388 117.051 114.554 0.181 0.000 2.885 889 T HA 0.885 5.153 4.350 -0.136 0.000 0.285 889 T C -0.431 174.339 174.700 0.117 0.000 1.019 889 T CA -0.846 61.323 62.100 0.115 0.000 1.010 889 T CB 2.347 71.329 68.868 0.190 0.000 1.022 889 T HN 0.731 nan 8.240 nan 0.000 0.466 890 A N 1.450 124.282 122.820 0.019 0.000 2.343 890 A HA 0.716 4.954 4.320 -0.136 0.000 0.308 890 A C -0.155 177.437 177.584 0.012 0.000 1.092 890 A CA -0.812 51.229 52.037 0.006 0.000 0.751 890 A CB 0.614 19.559 19.000 -0.091 0.000 1.203 890 A HN 1.094 nan 8.150 nan 0.000 0.452 891 C N 0.373 119.713 119.300 0.066 0.000 2.668 891 C HA 0.468 4.846 4.460 -0.136 0.000 0.355 891 C C 1.838 176.863 174.990 0.058 0.000 1.277 891 C CA -0.427 58.634 59.018 0.071 0.000 1.787 891 C CB 1.204 29.008 27.740 0.107 0.000 2.233 891 C HN 1.056 nan 8.230 nan 0.000 0.495 892 E N 0.951 121.186 120.200 0.059 0.000 2.130 892 E HA -0.253 4.016 4.350 -0.136 0.000 0.196 892 E C 0.615 177.276 176.600 0.101 0.000 0.998 892 E CA 2.162 58.593 56.400 0.050 0.000 0.806 892 E CB -0.063 29.671 29.700 0.056 0.000 0.738 892 E HN 0.819 nan 8.360 nan 0.000 0.459 893 D N -1.183 119.312 120.400 0.158 0.000 2.503 893 D HA 0.123 4.681 4.640 -0.136 0.000 0.218 893 D C -0.214 176.275 176.300 0.315 0.000 1.183 893 D CA -0.287 53.862 54.000 0.248 0.000 0.827 893 D CB 0.894 41.808 40.800 0.190 0.000 1.034 893 D HN -0.017 nan 8.370 nan 0.000 0.510 894 V N -0.211 119.866 119.914 0.271 0.000 3.000 894 V HA 0.558 4.596 4.120 -0.136 0.000 0.300 894 V C -1.901 174.329 176.094 0.228 0.000 1.251 894 V CA -0.739 61.662 62.300 0.168 0.000 0.972 894 V CB 2.308 34.105 31.823 -0.043 0.000 1.065 894 V HN -0.063 nan 8.190 nan 0.000 0.431 895 V N 4.787 124.876 119.914 0.292 0.000 2.656 895 V HA 0.786 4.825 4.120 -0.136 0.000 0.307 895 V C -0.180 176.111 176.094 0.327 0.000 1.051 895 V CA -0.279 62.214 62.300 0.322 0.000 0.893 895 V CB 2.320 34.389 31.823 0.411 0.000 0.999 895 V HN 0.965 nan 8.190 nan 0.000 0.426 896 S N 4.112 119.975 115.700 0.271 0.000 2.548 896 S HA 0.696 5.084 4.470 -0.136 0.000 0.286 896 S C -0.879 173.833 174.600 0.186 0.000 1.098 896 S CA -0.512 57.756 58.200 0.114 0.000 0.930 896 S CB 1.969 65.079 63.200 -0.149 0.000 1.070 896 S HN 0.692 nan 8.310 nan 0.000 0.480 897 L N 2.706 123.954 121.223 0.042 0.000 2.295 897 L HA 0.685 4.943 4.340 -0.136 0.000 0.285 897 L C -1.913 174.894 176.870 -0.104 0.000 1.035 897 L CA -0.468 54.410 54.840 0.063 0.000 0.806 897 L CB 0.586 42.649 42.059 0.007 0.000 1.214 897 L HN 0.724 nan 8.230 nan 0.000 0.426 898 W N 4.773 126.074 121.300 0.002 0.000 2.736 898 W HA 0.549 5.128 4.660 -0.136 0.000 0.335 898 W C -0.694 175.976 176.519 0.251 0.000 1.059 898 W CA -0.651 56.747 57.345 0.088 0.000 1.226 898 W CB 1.587 31.111 29.460 0.107 0.000 1.416 898 W HN 0.354 nan 8.180 nan 0.000 0.505 899 K N 1.018 121.691 120.400 0.454 0.000 2.281 899 K HA 0.924 5.162 4.320 -0.136 0.000 0.242 899 K C -0.337 176.312 176.600 0.081 0.000 0.971 899 K CA -1.063 55.432 56.287 0.347 0.000 0.834 899 K CB 1.799 34.374 32.500 0.124 0.000 1.181 899 K HN 0.459 nan 8.250 nan 0.000 0.435 900 A N 2.548 125.131 122.820 -0.395 0.000 2.522 900 A HA 0.067 4.306 4.320 -0.136 0.000 0.256 900 A C 0.666 177.974 177.584 -0.461 0.000 1.086 900 A CA -0.523 50.979 52.037 -0.892 0.000 0.763 900 A CB -0.122 18.403 19.000 -0.791 0.000 1.024 900 A HN 0.776 nan 8.150 nan 0.000 0.502 901 L N 2.183 123.117 121.223 -0.481 0.000 2.049 901 L HA 0.203 4.461 4.340 -0.136 0.000 0.203 901 L C 0.677 177.361 176.870 -0.309 0.000 1.074 901 L CA 2.610 57.262 54.840 -0.312 0.000 0.749 901 L CB -0.582 41.301 42.059 -0.295 0.000 0.907 901 L HN 0.895 nan 8.230 nan 0.000 0.439 902 D N -3.113 117.050 120.400 -0.396 0.000 3.236 902 D HA 0.310 4.869 4.640 -0.136 0.000 0.325 902 D C 0.934 177.060 176.300 -0.289 0.000 1.352 902 D CA 0.086 53.913 54.000 -0.287 0.000 0.979 902 D CB 0.048 40.707 40.800 -0.234 0.000 1.410 902 D HN -0.026 nan 8.370 nan 0.000 0.588 903 A N -0.566 122.176 122.820 -0.130 0.000 2.032 903 A HA -0.073 4.166 4.320 -0.136 0.000 0.221 903 A C 1.264 178.875 177.584 0.045 0.000 1.165 903 A CA 2.150 54.172 52.037 -0.025 0.000 0.645 903 A CB -0.970 18.075 19.000 0.076 0.000 0.807 903 A HN 0.664 nan 8.150 nan 0.000 0.453 904 W N -2.296 118.910 121.300 -0.156 0.000 2.355 904 W HA 0.373 4.951 4.660 -0.137 0.000 0.303 904 W C -0.171 176.266 176.519 -0.137 0.000 0.939 904 W CA -0.218 57.058 57.345 -0.116 0.000 1.377 904 W CB -0.075 29.356 29.460 -0.048 0.000 1.048 904 W HN 0.197 nan 8.180 nan 0.000 0.542 905 Q N 0.617 119.933 119.800 -0.806 0.000 2.226 905 Q HA 0.363 4.622 4.340 -0.136 0.000 0.256 905 Q C -1.746 173.858 176.000 -0.661 0.000 0.962 905 Q CA -0.289 55.026 55.803 -0.814 0.000 0.887 905 Q CB 1.979 30.096 28.738 -1.034 0.000 1.282 905 Q HN -0.066 nan 8.270 nan 0.000 0.449 906 W N 1.331 122.504 121.300 -0.211 0.000 2.736 906 W HA 0.302 4.880 4.660 -0.137 0.000 0.335 906 W C -0.368 176.255 176.519 0.173 0.000 1.059 906 W CA -0.547 56.787 57.345 -0.018 0.000 1.226 906 W CB 1.409 30.824 29.460 -0.075 0.000 1.416 906 W HN 0.501 nan 8.180 nan 0.000 0.505 907 E N 1.623 122.052 120.200 0.383 0.000 2.212 907 E HA 0.431 4.700 4.350 -0.136 0.000 0.268 907 E C -0.937 175.718 176.600 0.093 0.000 0.902 907 E CA -1.271 55.280 56.400 0.251 0.000 0.779 907 E CB 2.192 31.896 29.700 0.007 0.000 1.172 907 E HN 0.307 nan 8.360 nan 0.000 0.409 908 K N 2.797 122.959 120.400 -0.397 0.000 2.379 908 K HA 0.062 4.300 4.320 -0.136 0.000 0.284 908 K C -0.240 176.023 176.600 -0.561 0.000 1.044 908 K CA -0.303 55.437 56.287 -0.913 0.000 0.974 908 K CB 0.559 32.321 32.500 -1.231 0.000 0.962 908 K HN 0.516 nan 8.250 nan 0.000 0.474 909 L N 4.666 125.539 121.223 -0.584 0.000 2.433 909 L HA 0.238 4.497 4.340 -0.136 0.000 0.200 909 L C -0.334 175.931 176.870 -1.008 0.000 1.059 909 L CA 0.758 55.147 54.840 -0.751 0.000 0.835 909 L CB -0.226 41.354 42.059 -0.798 0.000 1.076 909 L HN 0.609 nan 8.230 nan 0.000 0.481 910 Y N -2.092 117.919 120.300 -0.481 0.000 2.576 910 Y HA 0.638 5.107 4.550 -0.136 0.000 0.346 910 Y C 0.129 175.586 175.900 -0.739 0.000 1.018 910 Y CA -1.109 56.591 58.100 -0.667 0.000 1.050 910 Y CB 1.832 39.764 38.460 -0.879 0.000 1.280 910 Y HN -0.314 nan 8.280 nan 0.000 0.474 911 T N 1.624 115.758 114.554 -0.701 0.000 2.916 911 T HA 0.551 4.819 4.350 -0.136 0.000 0.305 911 T C -2.107 172.172 174.700 -0.702 0.000 1.119 911 T CA -0.565 61.206 62.100 -0.549 0.000 1.008 911 T CB 0.831 69.465 68.868 -0.391 0.000 1.129 911 T HN 0.563 nan 8.240 nan 0.000 0.480 912 W N 2.543 123.674 121.300 -0.283 0.000 2.998 912 W HA 0.415 4.994 4.660 -0.135 0.000 0.335 912 W C -0.673 175.457 176.519 -0.649 0.000 1.110 912 W CA -0.624 56.505 57.345 -0.360 0.000 1.230 912 W CB 1.690 30.989 29.460 -0.269 0.000 1.405 912 W HN 0.756 nan 8.180 nan 0.000 0.493 913 H N 0.939 119.756 119.070 -0.421 0.000 2.529 913 H HA 0.541 5.016 4.556 -0.135 0.000 0.348 913 H C -1.143 173.737 175.328 -0.747 0.000 1.152 913 H CA -0.267 55.528 56.048 -0.422 0.000 1.202 913 H CB 1.696 31.345 29.762 -0.189 0.000 1.562 913 H HN 0.060 nan 8.280 nan 0.000 0.515 914 F N 1.009 121.069 119.950 0.184 0.000 2.539 914 F HA 0.615 5.061 4.527 -0.136 0.000 0.328 914 F C -0.212 175.645 175.800 0.095 0.000 1.148 914 F CA -0.802 57.266 58.000 0.113 0.000 0.940 914 F CB 1.444 40.489 39.000 0.075 0.000 1.194 914 F HN 0.563 nan 8.300 nan 0.000 0.438 915 A N 1.958 124.901 122.820 0.205 0.000 2.350 915 A HA 0.941 5.180 4.320 -0.136 0.000 0.324 915 A C 0.389 178.046 177.584 0.122 0.000 1.118 915 A CA 0.667 52.785 52.037 0.136 0.000 0.783 915 A CB 1.211 20.258 19.000 0.078 0.000 1.236 915 A HN 1.399 nan 8.150 nan 0.000 0.457 916 E N -0.047 120.210 120.200 0.095 0.000 3.738 916 E HA -0.156 4.112 4.350 -0.136 0.000 0.187 916 E C 0.741 177.385 176.600 0.075 0.000 1.068 916 E CA 1.126 57.572 56.400 0.076 0.000 2.396 916 E CB -2.180 27.563 29.700 0.072 0.000 1.701 916 E HN 2.363 nan 8.360 nan 0.000 0.466 917 V N 4.567 124.530 119.914 0.082 0.000 2.383 917 V HA 0.639 4.678 4.120 -0.136 0.000 0.275 917 V C -2.431 173.689 176.094 0.043 0.000 1.036 917 V CA -1.294 61.037 62.300 0.052 0.000 0.889 917 V CB 1.477 33.322 31.823 0.036 0.000 0.985 917 V HN 0.736 nan 8.190 nan 0.000 0.459 918 P HA 0.155 nan 4.420 nan 0.000 0.275 918 P C -0.316 176.933 177.300 -0.085 0.000 1.228 918 P CA 0.017 63.118 63.100 0.002 0.000 0.786 918 P CB 1.103 32.811 31.700 0.013 0.000 0.927 919 V N 3.924 123.746 119.914 -0.152 0.000 2.655 919 V HA -0.071 3.968 4.120 -0.136 0.000 0.300 919 V C 1.656 177.667 176.094 -0.138 0.000 1.044 919 V CA 0.350 62.499 62.300 -0.251 0.000 1.095 919 V CB 0.561 32.179 31.823 -0.341 0.000 0.952 919 V HN 0.522 nan 8.190 nan 0.000 0.485 920 L N 3.495 124.638 121.223 -0.133 0.000 2.445 920 L HA 0.313 4.571 4.340 -0.136 0.000 0.207 920 L C 0.646 177.460 176.870 -0.094 0.000 1.053 920 L CA 1.274 56.063 54.840 -0.084 0.000 0.841 920 L CB 0.118 42.140 42.059 -0.061 0.000 1.074 920 L HN 0.958 nan 8.230 nan 0.000 0.479 921 Q N -1.453 118.279 119.800 -0.113 0.000 2.578 921 Q HA 0.398 4.656 4.340 -0.136 0.000 0.284 921 Q C -1.283 174.648 176.000 -0.114 0.000 0.960 921 Q CA -0.719 55.017 55.803 -0.112 0.000 0.809 921 Q CB 1.210 29.909 28.738 -0.066 0.000 1.462 921 Q HN 0.031 nan 8.270 nan 0.000 0.392 922 I N 1.007 121.513 120.570 -0.108 0.000 2.662 922 I HA 0.345 4.433 4.170 -0.136 0.000 0.291 922 I C -0.519 175.572 176.117 -0.045 0.000 1.046 922 I CA -1.051 60.201 61.300 -0.080 0.000 1.361 922 I CB 1.621 39.579 38.000 -0.070 0.000 1.429 922 I HN 0.430 nan 8.210 nan 0.000 0.558 923 V N 6.511 126.406 119.914 -0.033 0.000 2.289 923 V HA 0.262 4.300 4.120 -0.136 0.000 0.272 923 V C -2.313 173.783 176.094 0.003 0.000 1.026 923 V CA -1.682 60.614 62.300 -0.006 0.000 0.807 923 V CB 0.686 32.508 31.823 -0.002 0.000 1.044 923 V HN 0.573 nan 8.190 nan 0.000 0.443 924 P HA 0.152 nan 4.420 nan 0.000 0.268 924 P C -0.606 176.709 177.300 0.025 0.000 1.204 924 P CA 0.158 63.276 63.100 0.029 0.000 0.768 924 P CB 0.785 32.514 31.700 0.048 0.000 0.842 925 V N 5.740 125.661 119.914 0.010 0.000 2.376 925 V HA 0.292 4.331 4.120 -0.136 0.000 0.287 925 V C -2.203 173.879 176.094 -0.019 0.000 1.015 925 V CA -2.183 60.120 62.300 0.004 0.000 0.834 925 V CB 1.355 33.178 31.823 -0.001 0.000 1.001 925 V HN 0.473 nan 8.190 nan 0.000 0.428 926 P HA 0.176 nan 4.420 nan 0.000 0.264 926 P C -0.042 177.203 177.300 -0.091 0.000 1.183 926 P CA 0.557 63.659 63.100 0.003 0.000 0.763 926 P CB 0.241 31.956 31.700 0.025 0.000 0.807 927 D N -0.667 119.623 120.400 -0.183 0.000 3.091 927 D HA -0.109 4.449 4.640 -0.136 0.000 0.216 927 D C -0.591 175.258 176.300 -0.752 0.000 1.129 927 D CA 0.675 54.419 54.000 -0.427 0.000 0.913 927 D CB -1.813 38.883 40.800 -0.174 0.000 1.101 927 D HN 0.135 nan 8.370 nan 0.000 0.426 928 V N 0.594 120.069 119.914 -0.731 0.000 2.487 928 V HA 0.390 4.428 4.120 -0.136 0.000 0.298 928 V C 0.325 176.089 176.094 -0.551 0.000 1.028 928 V CA -0.542 61.397 62.300 -0.601 0.000 0.860 928 V CB 1.801 33.405 31.823 -0.366 0.000 0.991 928 V HN 0.112 nan 8.190 nan 0.000 0.427 929 Y N 2.653 122.849 120.300 -0.174 0.000 2.563 929 Y HA 0.191 4.659 4.550 -0.138 0.000 0.250 929 Y C 1.534 177.039 175.900 -0.659 0.000 1.126 929 Y CA -0.464 57.505 58.100 -0.219 0.000 1.231 929 Y CB 0.717 39.109 38.460 -0.115 0.000 1.288 929 Y HN 0.732 nan 8.280 nan 0.000 0.537 930 N N 0.853 119.223 118.700 -0.549 0.000 2.171 930 N HA 0.172 4.830 4.740 -0.136 0.000 0.212 930 N C -0.365 174.755 175.510 -0.651 0.000 1.184 930 N CA 0.178 52.762 53.050 -0.777 0.000 0.888 930 N CB 0.463 38.700 38.487 -0.417 0.000 1.038 930 N HN 0.347 nan 8.380 nan 0.000 0.517 931 L N -3.803 117.144 121.223 -0.461 0.000 2.720 931 L HA 0.774 5.032 4.340 -0.136 0.000 0.261 931 L C -1.393 175.518 176.870 0.069 0.000 1.046 931 L CA -1.275 53.522 54.840 -0.072 0.000 0.886 931 L CB 1.670 43.626 42.059 -0.172 0.000 1.493 931 L HN -0.293 nan 8.230 nan 0.000 0.407 932 V N 0.316 120.267 119.914 0.063 0.000 2.444 932 V HA 0.537 4.576 4.120 -0.136 0.000 0.294 932 V C -0.485 175.535 176.094 -0.124 0.000 1.022 932 V CA -0.337 61.952 62.300 -0.019 0.000 0.850 932 V CB 1.522 33.270 31.823 -0.125 0.000 0.992 932 V HN 0.976 nan 8.190 nan 0.000 0.426 933 C N 5.269 124.510 119.300 -0.099 0.000 2.365 933 C HA 0.827 5.205 4.460 -0.136 0.000 0.351 933 C C 0.278 175.220 174.990 -0.080 0.000 1.240 933 C CA -0.576 58.393 59.018 -0.080 0.000 2.062 933 C CB 0.883 28.602 27.740 -0.034 0.000 2.387 933 C HN 0.802 nan 8.230 nan 0.000 0.537 934 V N 0.445 120.302 119.914 -0.096 0.000 3.040 934 V HA 0.989 5.027 4.120 -0.136 0.000 0.312 934 V C -0.322 175.699 176.094 -0.123 0.000 1.115 934 V CA -0.715 61.505 62.300 -0.132 0.000 0.998 934 V CB 1.598 33.282 31.823 -0.231 0.000 1.042 934 V HN 1.093 nan 8.190 nan 0.000 0.433 935 A N 3.860 126.606 122.820 -0.123 0.000 2.318 935 A HA 0.898 5.137 4.320 -0.136 0.000 0.324 935 A C -0.643 176.858 177.584 -0.139 0.000 1.170 935 A CA -0.714 51.265 52.037 -0.097 0.000 0.810 935 A CB 0.761 19.730 19.000 -0.053 0.000 1.198 935 A HN 1.000 nan 8.150 nan 0.000 0.484 936 L N 1.919 123.067 121.223 -0.126 0.000 2.331 936 L HA 0.913 5.172 4.340 -0.136 0.000 0.275 936 L C 0.584 177.417 176.870 -0.062 0.000 1.022 936 L CA -0.448 54.315 54.840 -0.128 0.000 0.812 936 L CB 2.006 43.980 42.059 -0.141 0.000 1.257 936 L HN 0.969 nan 8.230 nan 0.000 0.435 937 G N 1.250 110.021 108.800 -0.049 0.000 2.358 937 G HA2 0.035 3.914 3.960 -0.136 0.000 0.301 937 G HA3 0.035 3.914 3.960 -0.136 0.000 0.301 937 G C -0.696 174.197 174.900 -0.012 0.000 1.539 937 G CA -0.674 44.414 45.100 -0.020 0.000 0.893 937 G HN 0.592 nan 8.290 nan 0.000 0.636 938 N N -0.921 117.780 118.700 0.001 0.000 2.376 938 N HA 0.192 4.850 4.740 -0.136 0.000 0.177 938 N C 1.621 177.136 175.510 0.008 0.000 1.024 938 N CA 1.432 54.486 53.050 0.007 0.000 0.893 938 N CB 0.302 38.797 38.487 0.014 0.000 0.980 938 N HN 0.411 nan 8.380 nan 0.000 0.439 939 L N -1.164 120.064 121.223 0.008 0.000 1.906 939 L HA 0.313 4.572 4.340 -0.136 0.000 0.169 939 L C -1.004 175.872 176.870 0.010 0.000 1.261 939 L CA 0.207 55.054 54.840 0.011 0.000 1.110 939 L CB 0.283 42.351 42.059 0.015 0.000 2.318 939 L HN -0.146 nan 8.230 nan 0.000 0.489 940 E N 1.155 121.361 120.200 0.010 0.000 2.319 940 E HA 0.407 4.675 4.350 -0.136 0.000 0.268 940 E C -0.625 175.978 176.600 0.005 0.000 1.050 940 E CA -0.678 55.728 56.400 0.010 0.000 0.878 940 E CB 1.509 31.217 29.700 0.013 0.000 1.066 940 E HN 0.193 nan 8.360 nan 0.000 0.406 941 I N 2.437 123.011 120.570 0.006 0.000 2.556 941 I HA 0.009 4.097 4.170 -0.136 0.000 0.284 941 I C 1.352 177.471 176.117 0.004 0.000 1.114 941 I CA 0.481 61.781 61.300 0.000 0.000 1.418 941 I CB 0.413 38.416 38.000 0.004 0.000 1.394 941 I HN 0.451 nan 8.210 nan 0.000 0.552 942 R N 3.828 124.328 120.500 -0.001 0.000 2.257 942 R HA 0.240 4.498 4.340 -0.136 0.000 0.195 942 R C -0.166 176.138 176.300 0.006 0.000 0.921 942 R CA 0.227 56.330 56.100 0.006 0.000 1.069 942 R CB 0.552 30.857 30.300 0.009 0.000 1.115 942 R HN 0.651 nan 8.270 nan 0.000 0.571 943 E N 0.490 120.687 120.200 -0.004 0.000 2.408 943 E HA 0.457 4.725 4.350 -0.136 0.000 0.275 943 E C -1.160 175.431 176.600 -0.014 0.000 0.935 943 E CA -0.683 55.717 56.400 0.000 0.000 0.775 943 E CB 2.913 32.620 29.700 0.012 0.000 1.277 943 E HN -0.072 nan 8.360 nan 0.000 0.455 944 I N 1.520 122.089 120.570 -0.001 0.000 2.466 944 I HA 0.434 4.523 4.170 -0.136 0.000 0.289 944 I C -0.440 175.688 176.117 0.020 0.000 1.026 944 I CA -0.607 60.691 61.300 -0.004 0.000 1.078 944 I CB 1.629 39.632 38.000 0.006 0.000 1.249 944 I HN 0.241 nan 8.210 nan 0.000 0.429 945 R N 3.884 124.390 120.500 0.010 0.000 2.803 945 R HA 0.834 5.093 4.340 -0.136 0.000 0.276 945 R C -0.890 175.430 176.300 0.032 0.000 0.978 945 R CA -0.931 55.198 56.100 0.048 0.000 0.939 945 R CB 2.358 32.706 30.300 0.081 0.000 1.179 945 R HN 0.669 nan 8.270 nan 0.000 0.472 946 A N 3.226 126.089 122.820 0.073 0.000 2.292 946 A HA 0.559 4.797 4.320 -0.136 0.000 0.319 946 A C -0.526 177.095 177.584 0.063 0.000 1.206 946 A CA -0.669 51.397 52.037 0.047 0.000 0.835 946 A CB 0.487 19.532 19.000 0.075 0.000 1.164 946 A HN 0.548 nan 8.150 nan 0.000 0.505 947 L N 3.053 124.196 121.223 -0.134 0.000 2.307 947 L HA 0.812 5.071 4.340 -0.136 0.000 0.284 947 L C -0.395 176.424 176.870 -0.084 0.000 1.023 947 L CA -0.410 54.123 54.840 -0.511 0.000 0.810 947 L CB 0.764 41.965 42.059 -1.429 0.000 1.231 947 L HN 0.876 nan 8.230 nan 0.000 0.423 948 F N -0.179 119.825 119.950 0.089 0.000 2.923 948 F HA 0.761 5.207 4.527 -0.136 0.000 0.323 948 F C -0.592 175.479 175.800 0.452 0.000 1.189 948 F CA -1.134 57.063 58.000 0.329 0.000 0.930 948 F CB 0.743 39.811 39.000 0.113 0.000 1.414 948 F HN 0.297 nan 8.300 nan 0.000 0.496 956 E N 2.886 122.975 120.200 -0.185 0.000 2.384 956 E HA 0.572 4.841 4.350 -0.136 0.000 0.266 956 E C 0.447 176.977 176.600 -0.117 0.000 1.012 956 E CA 0.176 56.431 56.400 -0.241 0.000 0.901 956 E CB 0.648 29.858 29.700 -0.816 0.000 0.967 956 E HN 0.780 nan 8.360 nan 0.000 0.435 957 K N 1.973 122.312 120.400 -0.102 0.000 2.536 957 K HA 0.594 4.833 4.320 -0.136 0.000 0.269 957 K C -1.248 175.099 176.600 -0.421 0.000 0.965 957 K CA -1.040 55.062 56.287 -0.309 0.000 0.860 957 K CB 1.758 33.953 32.500 -0.509 0.000 1.423 957 K HN 0.623 nan 8.250 nan 0.000 0.438 958 Q N -0.335 119.327 119.800 -0.230 0.000 2.421 958 Q HA 0.820 5.078 4.340 -0.136 0.000 0.280 958 Q C -1.492 174.547 176.000 0.066 0.000 1.085 958 Q CA -1.015 54.733 55.803 -0.092 0.000 0.807 958 Q CB 2.320 31.068 28.738 0.016 0.000 1.405 958 Q HN 0.335 nan 8.270 nan 0.000 0.419 959 V N 2.334 122.357 119.914 0.181 0.000 2.588 959 V HA 0.296 4.335 4.120 -0.136 0.000 0.304 959 V C -0.800 175.378 176.094 0.141 0.000 1.042 959 V CA -0.896 61.522 62.300 0.196 0.000 0.877 959 V CB 1.737 33.732 31.823 0.287 0.000 0.996 959 V HN 0.804 nan 8.190 nan 0.000 0.425 960 L N 5.441 126.729 121.223 0.109 0.000 2.369 960 L HA 0.302 4.561 4.340 -0.136 0.000 0.279 960 L C 0.657 177.571 176.870 0.073 0.000 1.108 960 L CA 0.829 55.719 54.840 0.085 0.000 0.852 960 L CB 0.246 42.347 42.059 0.070 0.000 1.169 960 L HN 0.641 nan 8.230 nan 0.000 0.452 961 L N 3.546 124.810 121.223 0.068 0.000 2.253 961 L HA 0.246 4.504 4.340 -0.136 0.000 0.205 961 L C 0.731 177.608 176.870 0.012 0.000 1.078 961 L CA 0.387 55.259 54.840 0.053 0.000 0.805 961 L CB -0.001 42.108 42.059 0.083 0.000 0.963 961 L HN 0.624 nan 8.230 nan 0.000 0.459 962 K N -1.427 118.981 120.400 0.013 0.000 2.597 962 K HA 0.411 4.650 4.320 -0.136 0.000 0.282 962 K C -1.480 175.126 176.600 0.009 0.000 0.975 962 K CA -0.316 55.970 56.287 -0.002 0.000 0.867 962 K CB 2.422 34.907 32.500 -0.026 0.000 1.465 962 K HN -0.211 nan 8.250 nan 0.000 0.417 963 S N 0.499 116.205 115.700 0.011 0.000 2.562 963 S HA 0.826 5.215 4.470 -0.136 0.000 0.274 963 S C -0.959 173.652 174.600 0.019 0.000 1.160 963 S CA 0.430 58.641 58.200 0.018 0.000 0.933 963 S CB 1.353 64.567 63.200 0.024 0.000 1.100 963 S HN 1.063 nan 8.310 nan 0.000 0.468 964 G N 1.856 110.668 108.800 0.020 0.000 2.278 964 G HA2 0.252 4.131 3.960 -0.136 0.000 0.265 964 G HA3 0.252 4.131 3.960 -0.136 0.000 0.265 964 G C -0.375 174.538 174.900 0.022 0.000 1.329 964 G CA -0.113 45.000 45.100 0.023 0.000 1.017 964 G HN 1.484 nan 8.290 nan 0.000 0.472 965 N N -0.018 118.698 118.700 0.025 0.000 3.124 965 N HA 0.575 5.234 4.740 -0.136 0.000 0.284 965 N C 0.259 175.786 175.510 0.028 0.000 1.209 965 N CA 0.289 53.354 53.050 0.025 0.000 1.149 965 N CB -0.219 38.284 38.487 0.026 0.000 1.434 965 N HN 0.679 nan 8.380 nan 0.000 0.529 966 I N 0.558 121.143 120.570 0.025 0.000 2.416 966 I HA 0.167 4.255 4.170 -0.136 0.000 0.288 966 I C 0.944 177.080 176.117 0.033 0.000 1.051 966 I CA -0.544 60.774 61.300 0.031 0.000 1.375 966 I CB 1.631 39.647 38.000 0.026 0.000 1.407 966 I HN 0.309 nan 8.210 nan 0.000 0.516 967 K N 4.933 125.358 120.400 0.041 0.000 2.348 967 K HA 0.454 4.692 4.320 -0.136 0.000 0.194 967 K C 0.088 176.703 176.600 0.025 0.000 1.052 967 K CA 0.235 56.538 56.287 0.026 0.000 1.004 967 K CB 0.749 33.257 32.500 0.014 0.000 0.873 967 K HN 0.684 nan 8.250 nan 0.000 0.523 968 A N 0.384 123.249 122.820 0.075 0.000 2.594 968 A HA 0.592 4.830 4.320 -0.136 0.000 0.296 968 A C -1.632 176.129 177.584 0.294 0.000 1.061 968 A CA -0.600 51.510 52.037 0.121 0.000 0.689 968 A CB 1.685 20.647 19.000 -0.063 0.000 1.280 968 A HN -0.106 nan 8.150 nan 0.000 0.406 969 V N 1.766 121.851 119.914 0.284 0.000 3.048 969 V HA 0.884 4.922 4.120 -0.136 0.000 0.303 969 V C -2.187 173.999 176.094 0.153 0.000 1.214 969 V CA -0.491 61.910 62.300 0.168 0.000 0.984 969 V CB 1.952 33.814 31.823 0.065 0.000 1.054 969 V HN 1.778 nan 8.190 nan 0.000 0.430 970 L N 4.626 125.844 121.223 -0.007 0.000 2.565 970 L HA 0.878 5.137 4.340 -0.136 0.000 0.261 970 L C 0.002 176.825 176.870 -0.079 0.000 0.932 970 L CA 0.610 55.444 54.840 -0.010 0.000 0.878 970 L CB 1.960 44.037 42.059 0.030 0.000 1.333 970 L HN 0.897 nan 8.230 nan 0.000 0.409 971 G N 4.641 113.429 108.800 -0.020 0.000 2.403 971 G HA2 0.556 4.435 3.960 -0.136 0.000 0.259 971 G HA3 0.556 4.435 3.960 -0.136 0.000 0.259 971 G C -0.917 173.967 174.900 -0.028 0.000 1.244 971 G CA -0.366 44.729 45.100 -0.009 0.000 0.849 971 G HN 0.614 nan 8.290 nan 0.000 0.532 972 L N 0.839 122.037 121.223 -0.042 0.000 2.323 972 L HA 0.468 4.726 4.340 -0.136 0.000 0.265 972 L C 0.982 177.836 176.870 -0.027 0.000 1.012 972 L CA -1.152 53.658 54.840 -0.050 0.000 0.820 972 L CB 2.318 44.317 42.059 -0.099 0.000 1.334 972 L HN 0.697 nan 8.230 nan 0.000 0.427 973 T N -1.545 112.997 114.554 -0.020 0.000 2.906 973 T HA 0.095 4.364 4.350 -0.136 0.000 0.320 973 T C 0.267 174.952 174.700 -0.024 0.000 1.088 973 T CA -0.344 61.749 62.100 -0.012 0.000 1.120 973 T CB 0.256 69.124 68.868 -0.001 0.000 1.000 973 T HN 0.701 nan 8.240 nan 0.000 0.550 974 K N 1.157 121.542 120.400 -0.025 0.000 3.167 974 K HA -0.213 4.025 4.320 -0.136 0.000 0.272 974 K C 0.352 176.935 176.600 -0.029 0.000 1.137 974 K CA 0.644 56.912 56.287 -0.032 0.000 0.800 974 K CB -1.581 30.901 32.500 -0.029 0.000 1.253 974 K HN 0.826 nan 8.250 nan 0.000 0.497 975 R N -2.137 118.359 120.500 -0.008 0.000 3.762 975 R HA -0.178 4.081 4.340 -0.136 0.000 0.328 975 R C -0.487 175.867 176.300 0.090 0.000 1.164 975 R CA 1.255 57.411 56.100 0.093 0.000 0.861 975 R CB -1.344 29.008 30.300 0.086 0.000 1.408 975 R HN 0.380 nan 8.270 nan 0.000 0.502 976 R N 0.638 121.129 120.500 -0.015 0.000 2.668 976 R HA 0.578 4.837 4.340 -0.136 0.000 0.279 976 R C -0.561 175.674 176.300 -0.107 0.000 0.976 976 R CA -0.933 55.082 56.100 -0.142 0.000 0.978 976 R CB 1.259 31.461 30.300 -0.164 0.000 1.133 976 R HN -0.064 nan 8.270 nan 0.000 0.484 977 L N 2.818 123.905 121.223 -0.225 0.000 2.404 977 L HA 0.462 4.720 4.340 -0.136 0.000 0.272 977 L C -1.410 175.284 176.870 -0.293 0.000 0.980 977 L CA -0.661 54.072 54.840 -0.179 0.000 0.836 977 L CB 1.704 43.704 42.059 -0.099 0.000 1.238 977 L HN 0.458 nan 8.230 nan 0.000 0.408 978 V N 5.530 125.228 119.914 -0.360 0.000 2.547 978 V HA 0.919 4.958 4.120 -0.136 0.000 0.299 978 V C -0.217 175.580 176.094 -0.495 0.000 1.040 978 V CA 0.316 62.291 62.300 -0.542 0.000 0.913 978 V CB 2.026 33.336 31.823 -0.854 0.000 0.992 978 V HN 1.085 nan 8.190 nan 0.000 0.449 979 S N 4.012 119.488 115.700 -0.372 0.000 2.596 979 S HA 0.796 5.185 4.470 -0.136 0.000 0.270 979 S C -0.803 173.821 174.600 0.040 0.000 1.155 979 S CA -0.293 57.856 58.200 -0.086 0.000 0.827 979 S CB 1.812 64.971 63.200 -0.069 0.000 1.130 979 S HN 1.419 nan 8.310 nan 0.000 0.467 980 S N 0.324 116.137 115.700 0.189 0.000 2.546 980 S HA 0.889 5.278 4.470 -0.136 0.000 0.274 980 S C -0.905 173.753 174.600 0.096 0.000 1.121 980 S CA -0.068 58.227 58.200 0.159 0.000 0.887 980 S CB 1.322 64.667 63.200 0.242 0.000 1.094 980 S HN 1.690 nan 8.310 nan 0.000 0.474 981 S N 1.927 117.673 115.700 0.078 0.000 2.720 981 S HA 0.976 5.364 4.470 -0.136 0.000 0.287 981 S C 0.530 175.167 174.600 0.061 0.000 1.168 981 S CA -0.325 57.911 58.200 0.060 0.000 0.832 981 S CB 0.446 63.677 63.200 0.051 0.000 1.166 981 S HN 2.265 nan 8.310 nan 0.000 0.493 982 G N 0.440 109.269 108.800 0.048 0.000 2.749 982 G HA2 -0.067 3.811 3.960 -0.136 0.000 0.242 982 G HA3 -0.067 3.811 3.960 -0.136 0.000 0.242 982 G C 0.455 175.379 174.900 0.040 0.000 1.364 982 G CA 1.029 46.155 45.100 0.044 0.000 0.888 982 G HN 2.076 nan 8.290 nan 0.000 0.566 983 T N -3.176 111.400 114.554 0.036 0.000 3.048 983 T HA 0.561 4.829 4.350 -0.136 0.000 0.254 983 T C 1.531 176.249 174.700 0.031 0.000 0.942 983 T CA 1.174 63.292 62.100 0.030 0.000 0.931 983 T CB 0.078 68.959 68.868 0.021 0.000 1.220 983 T HN 0.915 nan 8.240 nan 0.000 0.503 984 L N -0.242 121.001 121.223 0.033 0.000 2.959 984 L HA 0.552 4.811 4.340 -0.136 0.000 0.222 984 L C 1.954 178.845 176.870 0.036 0.000 1.653 984 L CA -0.212 54.647 54.840 0.030 0.000 2.504 984 L CB -0.502 41.569 42.059 0.021 0.000 2.343 984 L HN 0.010 nan 8.230 nan 0.000 0.729 985 S N 0.198 115.914 115.700 0.027 0.000 2.515 985 S HA -0.106 4.283 4.470 -0.136 0.000 0.231 985 S C 1.171 175.788 174.600 0.028 0.000 0.987 985 S CA 1.234 59.450 58.200 0.026 0.000 0.936 985 S CB -0.432 62.778 63.200 0.017 0.000 0.766 985 S HN 0.660 nan 8.310 nan 0.000 0.528 986 D N 0.112 120.530 120.400 0.031 0.000 2.348 986 D HA -0.034 4.524 4.640 -0.136 0.000 0.211 986 D C 0.806 177.135 176.300 0.048 0.000 0.998 986 D CA -0.026 53.993 54.000 0.032 0.000 0.873 986 D CB -0.614 40.203 40.800 0.028 0.000 0.925 986 D HN 0.415 nan 8.370 nan 0.000 0.524 987 Q N 0.647 120.482 119.800 0.059 0.000 2.286 987 Q HA 0.002 4.260 4.340 -0.136 0.000 0.290 987 Q C -0.566 175.498 176.000 0.106 0.000 1.049 987 Q CA 0.534 56.386 55.803 0.081 0.000 0.923 987 Q CB 0.483 29.275 28.738 0.091 0.000 1.183 987 Q HN 0.237 nan 8.270 nan 0.000 0.383 988 Q N 1.905 121.779 119.800 0.123 0.000 2.345 988 Q HA 0.615 4.873 4.340 -0.136 0.000 0.268 988 Q C -1.428 174.654 176.000 0.136 0.000 1.054 988 Q CA -0.894 55.015 55.803 0.178 0.000 0.835 988 Q CB 2.493 31.379 28.738 0.246 0.000 1.339 988 Q HN 0.410 nan 8.270 nan 0.000 0.447 989 V N 1.897 121.880 119.914 0.116 0.000 2.483 989 V HA 0.414 4.453 4.120 -0.136 0.000 0.297 989 V C -0.812 175.169 176.094 -0.188 0.000 1.027 989 V CA -0.673 61.608 62.300 -0.032 0.000 0.855 989 V CB 1.710 33.468 31.823 -0.108 0.000 0.995 989 V HN 0.758 nan 8.190 nan 0.000 0.424 990 E N 3.339 123.351 120.200 -0.313 0.000 2.314 990 E HA 0.721 4.989 4.350 -0.136 0.000 0.272 990 E C -1.667 174.664 176.600 -0.448 0.000 0.884 990 E CA -0.847 55.264 56.400 -0.482 0.000 0.753 990 E CB 3.181 32.541 29.700 -0.565 0.000 1.213 990 E HN 0.369 nan 8.360 nan 0.000 0.432 991 V N 3.481 123.131 119.914 -0.440 0.000 2.443 991 V HA 0.371 4.409 4.120 -0.136 0.000 0.293 991 V C -0.195 175.677 176.094 -0.370 0.000 1.021 991 V CA -0.663 61.402 62.300 -0.392 0.000 0.848 991 V CB 1.000 32.617 31.823 -0.343 0.000 0.998 991 V HN 0.672 nan 8.190 nan 0.000 0.424 992 M N 3.201 122.566 119.600 -0.391 0.000 2.598 992 M HA 0.844 5.242 4.480 -0.136 0.000 0.317 992 M C -0.391 175.609 176.300 -0.500 0.000 1.201 992 M CA -0.151 54.894 55.300 -0.425 0.000 0.971 992 M CB 2.021 34.351 32.600 -0.450 0.000 1.657 992 M HN 0.401 nan 8.290 nan 0.000 0.470 993 T N 1.013 115.281 114.554 -0.476 0.000 2.908 993 T HA 0.730 4.998 4.350 -0.136 0.000 0.290 993 T C -1.136 173.260 174.700 -0.506 0.000 1.034 993 T CA -0.405 61.431 62.100 -0.440 0.000 1.010 993 T CB 1.060 69.792 68.868 -0.227 0.000 1.068 993 T HN 0.459 nan 8.240 nan 0.000 0.481 994 F N 0.964 120.844 119.950 -0.116 0.000 2.492 994 F HA 0.732 5.176 4.527 -0.137 0.000 0.327 994 F C 0.763 176.492 175.800 -0.119 0.000 1.079 994 F CA -1.146 56.780 58.000 -0.123 0.000 0.967 994 F CB 1.033 39.948 39.000 -0.140 0.000 1.169 994 F HN 0.719 nan 8.300 nan 0.000 0.472 999 G N -0.369 108.418 108.800 -0.022 0.000 2.685 999 G HA2 0.747 4.625 3.960 -0.136 0.000 0.298 999 G HA3 0.747 4.625 3.960 -0.136 0.000 0.298 999 G C 0.527 175.453 174.900 0.043 0.000 1.277 999 G CA -0.090 45.012 45.100 0.003 0.000 0.986 999 G HN 1.309 nan 8.290 nan 0.000 0.487 1000 G N -0.482 108.333 108.800 0.026 0.000 2.239 1000 G HA2 0.255 4.134 3.960 -0.136 0.000 0.278 1000 G HA3 0.255 4.134 3.960 -0.136 0.000 0.278 1000 G C 0.586 175.444 174.900 -0.069 0.000 1.071 1000 G CA 0.203 45.277 45.100 -0.044 0.000 1.198 1000 G HN 0.642 nan 8.290 nan 0.000 0.410 1001 K N 1.236 121.567 120.400 -0.114 0.000 2.273 1001 K HA 0.156 4.395 4.320 -0.136 0.000 0.206 1001 K C 0.245 176.785 176.600 -0.101 0.000 1.072 1001 K CA 0.418 56.650 56.287 -0.092 0.000 0.953 1001 K CB 0.396 32.843 32.500 -0.089 0.000 1.043 1001 K HN 0.428 nan 8.250 nan 0.000 0.477 1002 E N 0.498 120.611 120.200 -0.146 0.000 2.393 1002 E HA 0.234 4.502 4.350 -0.136 0.000 0.273 1002 E C -1.632 174.854 176.600 -0.191 0.000 0.918 1002 E CA -0.772 55.546 56.400 -0.137 0.000 0.773 1002 E CB 1.901 31.526 29.700 -0.125 0.000 1.275 1002 E HN 0.064 nan 8.360 nan 0.000 0.451 1003 N N 1.266 119.861 118.700 -0.176 0.000 2.533 1003 N HA 0.073 4.731 4.740 -0.136 0.000 0.289 1003 N C -1.616 173.746 175.510 -0.247 0.000 1.103 1003 N CA -0.272 52.616 53.050 -0.270 0.000 0.877 1003 N CB 1.367 39.675 38.487 -0.298 0.000 1.419 1003 N HN 0.344 nan 8.380 nan 0.000 0.517 1004 Q N 3.668 123.304 119.800 -0.274 0.000 2.307 1004 Q HA 0.381 4.639 4.340 -0.136 0.000 0.262 1004 Q C -0.969 174.877 176.000 -0.258 0.000 0.961 1004 Q CA -0.530 55.174 55.803 -0.165 0.000 0.882 1004 Q CB 0.796 29.461 28.738 -0.122 0.000 1.264 1004 Q HN 0.409 nan 8.270 nan 0.000 0.446 1005 F N 2.404 122.297 119.950 -0.095 0.000 2.382 1005 F HA 0.288 4.733 4.527 -0.136 0.000 0.331 1005 F C -0.087 175.648 175.800 -0.109 0.000 1.121 1005 F CA -0.390 57.551 58.000 -0.097 0.000 1.183 1005 F CB 0.562 39.529 39.000 -0.055 0.000 1.207 1005 F HN 0.417 nan 8.300 nan 0.000 0.555 1006 L N 2.317 123.543 121.223 0.005 0.000 2.330 1006 L HA 0.415 4.673 4.340 -0.136 0.000 0.271 1006 L C -0.076 176.870 176.870 0.127 0.000 1.013 1006 L CA -1.156 53.646 54.840 -0.063 0.000 0.816 1006 L CB 1.547 43.271 42.059 -0.560 0.000 1.287 1006 L HN 0.583 nan 8.230 nan 0.000 0.435 1007 M N 6.060 125.820 119.600 0.266 0.000 2.356 1007 M HA 0.194 4.592 4.480 -0.136 0.000 0.348 1007 M C -2.244 174.323 176.300 0.445 0.000 1.595 1007 M CA -0.938 54.543 55.300 0.301 0.000 1.095 1007 M CB 0.663 33.414 32.600 0.252 0.000 1.963 1007 M HN 0.241 nan 8.290 nan 0.000 0.459 1008 P HA 0.274 nan 4.420 nan 0.000 0.284 1008 P C -2.596 174.835 177.300 0.218 0.000 1.253 1008 P CA -1.266 62.015 63.100 0.301 0.000 0.800 1008 P CB 0.490 32.304 31.700 0.191 0.000 0.961 1009 P HA 0.033 nan 4.420 nan 0.000 0.249 1009 P C -0.056 177.280 177.300 0.060 0.000 1.229 1009 P CA 0.283 63.429 63.100 0.077 0.000 0.788 1009 P CB -0.006 31.704 31.700 0.016 0.000 1.072 1010 E N 0.152 120.401 120.200 0.082 0.000 2.360 1010 E HA -0.200 4.068 4.350 -0.136 0.000 0.238 1010 E C -0.670 175.952 176.600 0.037 0.000 1.186 1010 E CA 0.641 57.074 56.400 0.055 0.000 0.719 1010 E CB -1.749 27.976 29.700 0.041 0.000 1.236 1010 E HN 0.574 nan 8.360 nan 0.000 0.386 1011 E N -0.230 119.994 120.200 0.039 0.000 2.290 1011 E HA 0.229 4.497 4.350 -0.136 0.000 0.274 1011 E C -0.669 175.945 176.600 0.023 0.000 0.889 1011 E CA -0.709 55.704 56.400 0.021 0.000 0.760 1011 E CB 1.705 31.409 29.700 0.007 0.000 1.206 1011 E HN -0.079 nan 8.360 nan 0.000 0.419 1012 T N 3.091 117.652 114.554 0.013 0.000 2.908 1012 T HA 0.018 4.286 4.350 -0.136 0.000 0.301 1012 T C 0.466 175.152 174.700 -0.022 0.000 1.019 1012 T CA -0.058 62.044 62.100 0.005 0.000 1.152 1012 T CB -0.024 68.844 68.868 0.001 0.000 0.966 1012 T HN 0.202 nan 8.240 nan 0.000 0.540 1013 I N 4.511 125.056 120.570 -0.041 0.000 2.496 1013 I HA 0.118 4.207 4.170 -0.136 0.000 0.285 1013 I C 1.241 177.258 176.117 -0.165 0.000 1.080 1013 I CA -0.440 60.780 61.300 -0.134 0.000 1.404 1013 I CB 0.627 38.473 38.000 -0.256 0.000 1.403 1013 I HN 0.674 nan 8.210 nan 0.000 0.539 1014 L N 4.020 125.138 121.223 -0.175 0.000 2.362 1014 L HA 0.138 4.397 4.340 -0.136 0.000 0.204 1014 L C 0.691 177.456 176.870 -0.175 0.000 1.060 1014 L CA 0.548 55.306 54.840 -0.135 0.000 0.827 1014 L CB -0.148 41.857 42.059 -0.089 0.000 1.027 1014 L HN 0.745 nan 8.230 nan 0.000 0.474 1015 T N -2.557 111.853 114.554 -0.240 0.000 2.923 1015 T HA 0.552 4.820 4.350 -0.136 0.000 0.311 1015 T C -0.886 173.643 174.700 -0.285 0.000 1.183 1015 T CA -0.570 61.408 62.100 -0.203 0.000 1.020 1015 T CB 1.876 70.680 68.868 -0.107 0.000 1.165 1015 T HN -0.144 nan 8.240 nan 0.000 0.482 1016 F N 0.885 120.855 119.950 0.034 0.000 2.408 1016 F HA 0.826 5.270 4.527 -0.138 0.000 0.325 1016 F C 0.732 176.547 175.800 0.024 0.000 1.082 1016 F CA -0.707 57.327 58.000 0.057 0.000 1.032 1016 F CB 1.738 40.758 39.000 0.034 0.000 1.259 1016 F HN 1.033 nan 8.300 nan 0.000 0.503 1017 A N 1.288 124.261 122.820 0.256 0.000 2.488 1017 A HA 0.432 4.670 4.320 -0.136 0.000 0.295 1017 A C -1.209 176.441 177.584 0.109 0.000 1.045 1017 A CA -0.694 51.415 52.037 0.120 0.000 0.703 1017 A CB 1.189 20.211 19.000 0.038 0.000 1.271 1017 A HN 0.758 nan 8.150 nan 0.000 0.400 1018 E N 1.510 121.745 120.200 0.059 0.000 2.338 1018 E HA 0.429 4.698 4.350 -0.136 0.000 0.272 1018 E C -0.650 175.961 176.600 0.019 0.000 1.029 1018 E CA -0.369 56.057 56.400 0.043 0.000 0.872 1018 E CB 0.894 30.606 29.700 0.020 0.000 1.015 1018 E HN 0.449 nan 8.360 nan 0.000 0.417 1019 V N 5.339 125.274 119.914 0.036 0.000 2.427 1019 V HA 0.014 4.052 4.120 -0.136 0.000 0.268 1019 V C 0.440 176.557 176.094 0.039 0.000 1.046 1019 V CA -0.043 62.273 62.300 0.026 0.000 0.970 1019 V CB 0.825 32.681 31.823 0.055 0.000 1.001 1019 V HN 0.737 nan 8.190 nan 0.000 0.476 1020 Q N 3.125 122.942 119.800 0.028 0.000 2.289 1020 Q HA 0.412 4.671 4.340 -0.136 0.000 0.273 1020 Q C 1.141 177.221 176.000 0.134 0.000 1.029 1020 Q CA 0.959 56.816 55.803 0.090 0.000 0.896 1020 Q CB 0.662 29.490 28.738 0.150 0.000 1.182 1020 Q HN 1.126 nan 8.270 nan 0.000 0.385 1021 G N 3.001 111.861 108.800 0.100 0.000 2.163 1021 G HA2 -0.186 3.692 3.960 -0.136 0.000 0.213 1021 G HA3 -0.186 3.692 3.960 -0.136 0.000 0.213 1021 G C -0.177 174.768 174.900 0.074 0.000 0.991 1021 G CA 0.223 45.377 45.100 0.091 0.000 0.653 1021 G HN 0.549 nan 8.290 nan 0.000 0.518 1022 M N -1.103 118.537 119.600 0.066 0.000 2.755 1022 M HA 0.671 5.069 4.480 -0.136 0.000 0.273 1022 M C -0.730 175.597 176.300 0.045 0.000 1.278 1022 M CA -0.958 54.374 55.300 0.053 0.000 0.819 1022 M CB 1.594 34.228 32.600 0.056 0.000 1.694 1022 M HN 0.001 nan 8.290 nan 0.000 0.460 1023 Q N 0.447 120.269 119.800 0.037 0.000 2.345 1023 Q HA 0.387 4.646 4.340 -0.136 0.000 0.268 1023 Q C -0.729 175.290 176.000 0.032 0.000 1.054 1023 Q CA -0.528 55.293 55.803 0.030 0.000 0.835 1023 Q CB 1.845 30.596 28.738 0.023 0.000 1.339 1023 Q HN 0.716 nan 8.270 nan 0.000 0.447 1024 E N -1.623 118.594 120.200 0.028 0.000 3.628 1024 E HA -0.201 4.068 4.350 -0.136 0.000 0.309 1024 E C -1.065 175.569 176.600 0.057 0.000 0.839 1024 E CA 1.102 57.520 56.400 0.031 0.000 1.123 1024 E CB -1.743 27.972 29.700 0.026 0.000 1.568 1024 E HN 0.627 nan 8.360 nan 0.000 0.440 1025 A N 0.671 123.530 122.820 0.064 0.000 2.276 1025 A HA 0.680 4.919 4.320 -0.136 0.000 0.316 1025 A C -0.301 177.353 177.584 0.118 0.000 1.229 1025 A CA -0.549 51.544 52.037 0.093 0.000 0.851 1025 A CB 0.812 19.858 19.000 0.076 0.000 1.165 1025 A HN 0.097 nan 8.150 nan 0.000 0.513 1026 L N 3.037 124.380 121.223 0.200 0.000 2.341 1026 L HA 0.737 4.995 4.340 -0.136 0.000 0.278 1026 L C -0.855 176.247 176.870 0.387 0.000 1.005 1026 L CA -0.533 54.472 54.840 0.276 0.000 0.818 1026 L CB 1.596 43.812 42.059 0.263 0.000 1.259 1026 L HN 0.728 nan 8.230 nan 0.000 0.418 1027 L N 4.118 125.529 121.223 0.314 0.000 2.331 1027 L HA 0.978 5.236 4.340 -0.136 0.000 0.275 1027 L C -0.201 176.877 176.870 0.347 0.000 1.022 1027 L CA -0.168 54.808 54.840 0.226 0.000 0.812 1027 L CB 1.633 43.747 42.059 0.092 0.000 1.257 1027 L HN 0.759 nan 8.230 nan 0.000 0.435 1028 G N 0.902 109.804 108.800 0.170 0.000 2.563 1028 G HA2 0.592 4.471 3.960 -0.136 0.000 0.302 1028 G HA3 0.592 4.471 3.960 -0.136 0.000 0.302 1028 G C -1.088 173.772 174.900 -0.067 0.000 1.301 1028 G CA -0.342 44.815 45.100 0.096 0.000 0.965 1028 G HN 0.649 nan 8.290 nan 0.000 0.480 1029 T N -1.613 112.875 114.554 -0.109 0.000 2.888 1029 T HA 0.764 5.032 4.350 -0.136 0.000 0.284 1029 T C 0.240 174.872 174.700 -0.113 0.000 1.017 1029 T CA -0.374 61.659 62.100 -0.112 0.000 1.022 1029 T CB 1.726 70.527 68.868 -0.111 0.000 1.013 1029 T HN 0.996 nan 8.240 nan 0.000 0.465 1030 T N -0.316 114.185 114.554 -0.088 0.000 2.930 1030 T HA 0.487 4.755 4.350 -0.136 0.000 0.290 1030 T C 1.236 175.908 174.700 -0.047 0.000 1.052 1030 T CA -1.082 60.980 62.100 -0.064 0.000 1.017 1030 T CB 1.283 70.126 68.868 -0.042 0.000 1.137 1030 T HN 0.650 nan 8.240 nan 0.000 0.511 1031 I N 0.461 121.012 120.570 -0.031 0.000 2.381 1031 I HA -0.154 3.934 4.170 -0.136 0.000 0.255 1031 I C 1.326 177.441 176.117 -0.002 0.000 1.140 1031 I CA 1.356 62.646 61.300 -0.017 0.000 1.404 1031 I CB -0.014 37.981 38.000 -0.008 0.000 1.075 1031 I HN 0.558 nan 8.210 nan 0.000 0.433 1032 M N 0.347 119.951 119.600 0.007 0.000 2.691 1032 M HA -0.003 4.395 4.480 -0.136 0.000 0.227 1032 M C 0.812 177.157 176.300 0.075 0.000 1.120 1032 M CA 0.395 55.722 55.300 0.045 0.000 1.034 1032 M CB -1.984 30.648 32.600 0.052 0.000 1.675 1032 M HN 0.266 nan 8.290 nan 0.000 0.514 1033 N N 1.039 119.735 118.700 -0.008 0.000 2.714 1033 N HA -0.180 4.478 4.740 -0.136 0.000 0.250 1033 N C -0.935 174.459 175.510 -0.193 0.000 1.117 1033 N CA 0.406 53.391 53.050 -0.108 0.000 0.719 1033 N CB -0.718 37.686 38.487 -0.138 0.000 1.081 1033 N HN 0.347 nan 8.380 nan 0.000 0.557 1034 N N 0.145 118.800 118.700 -0.076 0.000 2.466 1034 N HA 0.499 5.158 4.740 -0.136 0.000 0.294 1034 N C -0.102 175.343 175.510 -0.108 0.000 1.129 1034 N CA -0.219 52.786 53.050 -0.076 0.000 0.931 1034 N CB 0.955 39.433 38.487 -0.014 0.000 1.193 1034 N HN 0.171 nan 8.380 nan 0.000 0.500 1035 I N 1.266 121.765 120.570 -0.118 0.000 2.378 1035 I HA 0.290 4.378 4.170 -0.136 0.000 0.291 1035 I C -0.100 175.917 176.117 -0.168 0.000 0.992 1035 I CA -1.016 60.207 61.300 -0.128 0.000 1.154 1035 I CB 1.485 39.419 38.000 -0.110 0.000 1.315 1035 I HN 0.164 nan 8.210 nan 0.000 0.448 1036 V N 5.296 125.062 119.914 -0.246 0.000 2.667 1036 V HA 0.621 4.660 4.120 -0.136 0.000 0.308 1036 V C -0.504 175.325 176.094 -0.443 0.000 1.048 1036 V CA -0.658 61.388 62.300 -0.424 0.000 0.928 1036 V CB 2.207 33.603 31.823 -0.713 0.000 1.004 1036 V HN 0.396 nan 8.190 nan 0.000 0.444 1037 I N 3.116 123.432 120.570 -0.424 0.000 2.465 1037 I HA 0.502 4.591 4.170 -0.136 0.000 0.291 1037 I C -0.594 175.356 176.117 -0.278 0.000 1.014 1037 I CA -0.514 60.643 61.300 -0.238 0.000 1.093 1037 I CB 1.797 39.739 38.000 -0.097 0.000 1.267 1037 I HN 0.716 nan 8.210 nan 0.000 0.431 1038 W N 3.585 124.909 121.300 0.040 0.000 2.647 1038 W HA 0.313 4.890 4.660 -0.139 0.000 0.353 1038 W C 0.363 176.895 176.519 0.021 0.000 1.080 1038 W CA -0.602 56.763 57.345 0.033 0.000 1.208 1038 W CB 1.518 31.003 29.460 0.042 0.000 1.396 1038 W HN 0.422 nan 8.180 nan 0.000 0.573 1039 N N 2.174 121.026 118.700 0.254 0.000 2.406 1039 N HA 0.114 4.773 4.740 -0.136 0.000 0.251 1039 N C 0.631 176.219 175.510 0.130 0.000 1.069 1039 N CA 0.073 53.213 53.050 0.150 0.000 0.947 1039 N CB 0.978 39.527 38.487 0.102 0.000 1.111 1039 N HN 0.408 nan 8.380 nan 0.000 0.497 1040 L N 2.444 123.717 121.223 0.082 0.000 2.362 1040 L HA -0.138 4.120 4.340 -0.136 0.000 0.219 1040 L C 2.354 179.223 176.870 -0.003 0.000 1.134 1040 L CA 0.739 55.588 54.840 0.015 0.000 0.807 1040 L CB -0.147 41.904 42.059 -0.012 0.000 0.927 1040 L HN 0.394 nan 8.230 nan 0.000 0.447 1041 K N -0.540 119.871 120.400 0.018 0.000 2.067 1041 K HA -0.069 4.169 4.320 -0.136 0.000 0.203 1041 K C 2.257 178.866 176.600 0.014 0.000 1.048 1041 K CA 1.507 57.798 56.287 0.007 0.000 0.954 1041 K CB -0.343 32.164 32.500 0.012 0.000 0.737 1041 K HN 0.643 nan 8.250 nan 0.000 0.444 1042 T N -3.984 110.591 114.554 0.035 0.000 3.057 1042 T HA 0.246 4.514 4.350 -0.136 0.000 0.254 1042 T C 1.604 176.337 174.700 0.055 0.000 1.094 1042 T CA 1.163 63.287 62.100 0.041 0.000 1.088 1042 T CB 0.413 69.310 68.868 0.048 0.000 0.934 1042 T HN 0.666 nan 8.240 nan 0.000 0.497 1043 G N 1.121 109.962 108.800 0.069 0.000 2.199 1043 G HA2 -0.257 3.622 3.960 -0.136 0.000 0.254 1043 G HA3 -0.257 3.622 3.960 -0.136 0.000 0.254 1043 G C -0.049 174.967 174.900 0.192 0.000 0.982 1043 G CA 0.058 45.210 45.100 0.086 0.000 0.632 1043 G HN 0.702 nan 8.290 nan 0.000 0.529 1044 Q N -0.125 119.781 119.800 0.175 0.000 2.364 1044 Q HA 0.492 4.751 4.340 -0.136 0.000 0.267 1044 Q C 0.122 176.275 176.000 0.255 0.000 0.999 1044 Q CA -0.423 55.490 55.803 0.183 0.000 0.886 1044 Q CB 1.278 30.078 28.738 0.104 0.000 1.243 1044 Q HN 0.300 nan 8.270 nan 0.000 0.415 1045 L N 4.203 125.535 121.223 0.182 0.000 2.342 1045 L HA 0.089 4.348 4.340 -0.136 0.000 0.285 1045 L C 0.020 176.842 176.870 -0.079 0.000 1.095 1045 L CA 0.708 55.520 54.840 -0.046 0.000 0.843 1045 L CB 0.114 42.135 42.059 -0.062 0.000 1.201 1045 L HN 0.768 nan 8.230 nan 0.000 0.445 1046 L N 3.219 124.381 121.223 -0.102 0.000 2.270 1046 L HA 0.160 4.419 4.340 -0.136 0.000 0.210 1046 L C 0.485 177.304 176.870 -0.085 0.000 1.104 1046 L CA 0.386 55.191 54.840 -0.059 0.000 0.804 1046 L CB -0.199 41.843 42.059 -0.029 0.000 0.937 1046 L HN 0.596 nan 8.230 nan 0.000 0.450 1047 K N -0.129 120.185 120.400 -0.143 0.000 2.610 1047 K HA 0.297 4.535 4.320 -0.136 0.000 0.267 1047 K C -1.415 175.085 176.600 -0.167 0.000 0.943 1047 K CA -0.543 55.670 56.287 -0.123 0.000 0.862 1047 K CB 1.684 34.128 32.500 -0.093 0.000 1.376 1047 K HN -0.209 nan 8.250 nan 0.000 0.412 1048 K N 4.081 124.406 120.400 -0.125 0.000 2.324 1048 K HA 0.664 4.903 4.320 -0.136 0.000 0.253 1048 K C -1.323 175.233 176.600 -0.073 0.000 0.932 1048 K CA -0.509 55.705 56.287 -0.121 0.000 0.799 1048 K CB 1.175 33.612 32.500 -0.104 0.000 1.154 1048 K HN 0.593 nan 8.250 nan 0.000 0.425 1049 M N 3.572 123.132 119.600 -0.067 0.000 2.183 1049 M HA 0.199 4.597 4.480 -0.136 0.000 0.277 1049 M C -1.160 175.133 176.300 -0.013 0.000 0.995 1049 M CA -0.931 54.347 55.300 -0.036 0.000 0.969 1049 M CB 1.786 34.351 32.600 -0.059 0.000 1.659 1049 M HN 0.668 nan 8.290 nan 0.000 0.462 1050 H N 2.851 121.886 119.070 -0.059 0.000 2.683 1050 H HA 0.499 4.974 4.556 -0.135 0.000 0.339 1050 H C -1.225 174.075 175.328 -0.048 0.000 1.081 1050 H CA 0.420 56.437 56.048 -0.052 0.000 1.432 1050 H CB 0.771 30.508 29.762 -0.043 0.000 1.462 1050 H HN 0.640 nan 8.280 nan 0.000 0.557 1051 I N 4.288 124.480 120.570 -0.629 0.000 2.392 1051 I HA 0.045 4.133 4.170 -0.136 0.000 0.295 1051 I C 0.265 176.117 176.117 -0.442 0.000 0.985 1051 I CA -0.672 60.389 61.300 -0.398 0.000 1.221 1051 I CB 1.004 38.825 38.000 -0.298 0.000 1.366 1051 I HN 0.737 nan 8.210 nan 0.000 0.467 1052 D N 5.628 125.949 120.400 -0.132 0.000 2.923 1052 D HA -0.160 4.399 4.640 -0.136 0.000 0.220 1052 D C 0.369 176.654 176.300 -0.025 0.000 1.099 1052 D CA 0.456 54.448 54.000 -0.013 0.000 0.807 1052 D CB 0.675 41.470 40.800 -0.008 0.000 1.155 1052 D HN 0.508 nan 8.370 nan 0.000 0.524 1053 D N 2.375 122.855 120.400 0.132 0.000 2.429 1053 D HA 0.066 4.625 4.640 -0.136 0.000 0.230 1053 D C 0.448 176.775 176.300 0.044 0.000 1.005 1053 D CA 1.264 55.367 54.000 0.172 0.000 0.963 1053 D CB -0.271 40.639 40.800 0.183 0.000 0.872 1053 D HN 0.631 nan 8.370 nan 0.000 0.524 1054 S N -2.649 113.053 115.700 0.002 0.000 2.925 1054 S HA 0.429 4.818 4.470 -0.136 0.000 0.262 1054 S C -0.405 174.187 174.600 -0.014 0.000 0.725 1054 S CA -0.683 57.507 58.200 -0.016 0.000 0.871 1054 S CB -0.946 62.251 63.200 -0.005 0.000 1.096 1054 S HN 0.433 nan 8.310 nan 0.000 0.551 1055 Y N -0.489 119.797 120.300 -0.023 0.000 2.377 1055 Y HA 0.918 5.387 4.550 -0.136 0.000 0.330 1055 Y C 0.974 176.841 175.900 -0.054 0.000 1.108 1055 Y CA 0.896 58.975 58.100 -0.036 0.000 1.308 1055 Y CB 0.075 38.514 38.460 -0.035 0.000 1.216 1055 Y HN 2.695 nan 8.280 nan 0.000 0.518 1056 Q N 0.553 120.310 119.800 -0.072 0.000 1.911 1056 Q HA 0.532 4.791 4.340 -0.136 0.000 0.264 1056 Q C -0.466 175.491 176.000 -0.072 0.000 0.635 1056 Q CA 0.121 55.886 55.803 -0.065 0.000 0.400 1056 Q CB -1.914 26.800 28.738 -0.041 0.000 0.464 1056 Q HN 3.484 nan 8.270 nan 0.000 0.319 1057 A N 0.492 123.264 122.820 -0.081 0.000 1.621 1057 A HA 1.023 5.261 4.320 -0.136 0.000 0.299 1057 A C 0.041 177.568 177.584 -0.096 0.000 0.673 1057 A CA 1.474 53.459 52.037 -0.087 0.000 0.504 1057 A CB -1.049 17.895 19.000 -0.094 0.000 1.366 1057 A HN 3.269 nan 8.150 nan 0.000 0.349 1058 S N -0.647 114.995 115.700 -0.097 0.000 1.495 1058 S HA 0.186 4.574 4.470 -0.136 0.000 0.254 1058 S C 0.451 174.986 174.600 -0.107 0.000 0.682 1058 S CA 1.161 59.309 58.200 -0.086 0.000 1.326 1058 S CB -1.745 61.415 63.200 -0.066 0.000 0.714 1058 S HN 2.209 nan 8.310 nan 0.000 0.488 1059 V N 2.024 121.855 119.914 -0.138 0.000 2.350 1059 V HA 0.560 4.598 4.120 -0.136 0.000 0.285 1059 V C 0.270 176.174 176.094 -0.317 0.000 1.014 1059 V CA -0.304 61.860 62.300 -0.226 0.000 0.831 1059 V CB 0.743 32.422 31.823 -0.240 0.000 1.000 1059 V HN 1.250 nan 8.190 nan 0.000 0.433 1060 C N 5.822 124.971 119.300 -0.253 0.000 2.347 1060 C HA 0.458 4.837 4.460 -0.136 0.000 0.353 1060 C C 1.500 176.346 174.990 -0.240 0.000 1.273 1060 C CA -0.253 58.655 59.018 -0.184 0.000 1.861 1060 C CB -0.241 27.446 27.740 -0.087 0.000 2.420 1060 C HN 0.972 nan 8.230 nan 0.000 0.542 1061 H N 2.491 121.580 119.070 0.032 0.000 2.553 1061 H HA 0.199 4.672 4.556 -0.138 0.000 0.276 1061 H C 0.238 175.548 175.328 -0.030 0.000 0.979 1061 H CA 0.548 56.625 56.048 0.050 0.000 1.268 1061 H CB 0.497 30.328 29.762 0.115 0.000 1.450 1061 H HN 0.584 nan 8.280 nan 0.000 0.527 1062 K N 0.154 120.549 120.400 -0.009 0.000 2.589 1062 K HA 0.541 4.779 4.320 -0.136 0.000 0.265 1062 K C -1.938 174.472 176.600 -0.317 0.000 0.935 1062 K CA -0.406 55.758 56.287 -0.205 0.000 0.850 1062 K CB 1.898 34.232 32.500 -0.277 0.000 1.372 1062 K HN 0.067 nan 8.250 nan 0.000 0.420 1063 A N 2.804 125.366 122.820 -0.430 0.000 2.414 1063 A HA 0.806 5.044 4.320 -0.136 0.000 0.306 1063 A C -1.841 175.497 177.584 -0.410 0.000 1.054 1063 A CA -0.578 51.268 52.037 -0.318 0.000 0.724 1063 A CB 0.733 19.680 19.000 -0.089 0.000 1.267 1063 A HN 0.516 nan 8.150 nan 0.000 0.418 1064 Y N 0.207 120.595 120.300 0.148 0.000 2.512 1064 Y HA 0.675 5.168 4.550 -0.095 0.000 0.348 1064 Y C 0.551 176.590 175.900 0.231 0.000 0.990 1064 Y CA -0.704 57.489 58.100 0.155 0.000 1.033 1064 Y CB 2.483 41.012 38.460 0.116 0.000 1.259 1064 Y HN 0.588 nan 8.280 nan 0.000 0.461 1065 S N 1.835 117.731 115.700 0.327 0.000 2.451 1065 S HA 0.656 5.044 4.470 -0.136 0.000 0.301 1065 S C -1.164 173.593 174.600 0.261 0.000 1.116 1065 S CA -0.275 58.088 58.200 0.271 0.000 1.093 1065 S CB 0.968 64.261 63.200 0.154 0.000 1.017 1065 S HN 0.682 nan 8.310 nan 0.000 0.482 1066 E N 4.038 124.434 120.200 0.326 0.000 2.321 1066 E HA 0.401 4.670 4.350 -0.136 0.000 0.281 1066 E C -0.649 176.097 176.600 0.243 0.000 0.910 1066 E CA -0.476 56.066 56.400 0.237 0.000 0.770 1066 E CB 0.675 30.463 29.700 0.146 0.000 1.225 1066 E HN 0.583 nan 8.360 nan 0.000 0.417 1067 M N 3.021 122.701 119.600 0.134 0.000 2.175 1067 M HA -0.198 4.200 4.480 -0.136 0.000 0.192 1067 M C 0.927 177.279 176.300 0.086 0.000 0.473 1067 M CA 1.605 56.966 55.300 0.101 0.000 0.414 1067 M CB -2.596 30.065 32.600 0.102 0.000 1.069 1067 M HN 1.110 nan 8.290 nan 0.000 0.933 1068 G N -0.535 108.309 108.800 0.072 0.000 2.180 1068 G HA2 -0.278 3.600 3.960 -0.136 0.000 0.263 1068 G HA3 -0.278 3.600 3.960 -0.136 0.000 0.263 1068 G C 0.163 175.069 174.900 0.011 0.000 0.989 1068 G CA 0.834 45.957 45.100 0.038 0.000 0.692 1068 G HN 0.564 nan 8.290 nan 0.000 0.526 1069 L N -0.915 120.321 121.223 0.021 0.000 2.319 1069 L HA 0.752 5.011 4.340 -0.136 0.000 0.267 1069 L C 0.425 177.203 176.870 -0.153 0.000 1.011 1069 L CA -1.219 53.542 54.840 -0.132 0.000 0.818 1069 L CB 1.893 43.785 42.059 -0.279 0.000 1.316 1069 L HN -0.002 nan 8.230 nan 0.000 0.432 1070 L N 1.519 122.578 121.223 -0.274 0.000 2.307 1070 L HA 0.464 4.723 4.340 -0.136 0.000 0.284 1070 L C -1.244 175.440 176.870 -0.310 0.000 1.023 1070 L CA -0.238 54.514 54.840 -0.145 0.000 0.810 1070 L CB 1.406 43.422 42.059 -0.072 0.000 1.231 1070 L HN 0.330 nan 8.230 nan 0.000 0.423 1071 F N 4.565 124.586 119.950 0.119 0.000 2.402 1071 F HA 0.515 5.001 4.527 -0.069 0.000 0.355 1071 F C 0.020 175.919 175.800 0.164 0.000 1.123 1071 F CA -0.370 57.734 58.000 0.173 0.000 1.021 1071 F CB 1.116 40.271 39.000 0.259 0.000 1.160 1071 F HN 0.182 nan 8.300 nan 0.000 0.451 1072 I N 4.213 124.912 120.570 0.215 0.000 2.418 1072 I HA 0.364 4.453 4.170 -0.136 0.000 0.287 1072 I C -0.919 175.275 176.117 0.128 0.000 1.008 1072 I CA -0.933 60.433 61.300 0.109 0.000 1.104 1072 I CB 1.842 39.858 38.000 0.026 0.000 1.264 1072 I HN 0.161 nan 8.210 nan 0.000 0.438 1073 V N 7.428 127.406 119.914 0.107 0.000 2.364 1073 V HA 0.442 4.481 4.120 -0.136 0.000 0.272 1073 V C 0.175 176.367 176.094 0.164 0.000 1.036 1073 V CA -0.342 62.041 62.300 0.139 0.000 0.880 1073 V CB 0.915 32.788 31.823 0.084 0.000 0.991 1073 V HN 0.480 nan 8.190 nan 0.000 0.460 1074 L N 3.827 125.153 121.223 0.171 0.000 2.286 1074 L HA 0.818 5.076 4.340 -0.136 0.000 0.265 1074 L C 0.106 177.056 176.870 0.133 0.000 1.012 1074 L CA -0.657 54.257 54.840 0.123 0.000 0.818 1074 L CB 2.259 44.319 42.059 0.002 0.000 1.337 1074 L HN 0.648 nan 8.230 nan 0.000 0.438 1075 S N -2.200 113.446 115.700 -0.089 0.000 2.502 1075 S HA 0.729 5.117 4.470 -0.136 0.000 0.304 1075 S C -0.276 173.946 174.600 -0.629 0.000 1.097 1075 S CA -0.573 57.244 58.200 -0.639 0.000 1.045 1075 S CB 0.920 63.268 63.200 -1.421 0.000 1.019 1075 S HN 0.795 nan 8.310 nan 0.000 0.481 1089 V N 0.190 120.045 119.914 -0.099 0.000 2.922 1089 V HA 0.303 4.341 4.120 -0.136 0.000 0.242 1089 V C 0.399 176.103 176.094 -0.650 0.000 1.094 1089 V CA 1.069 63.210 62.300 -0.266 0.000 1.106 1089 V CB -0.359 31.367 31.823 -0.162 0.000 0.799 1089 V HN 0.413 nan 8.190 nan 0.000 0.474 1090 F N -0.156 119.584 119.950 -0.351 0.000 2.577 1090 F HA 0.694 5.144 4.527 -0.128 0.000 0.318 1090 F C -0.038 175.754 175.800 -0.013 0.000 1.065 1090 F CA -0.801 57.046 58.000 -0.255 0.000 0.929 1090 F CB 1.777 40.536 39.000 -0.402 0.000 1.237 1090 F HN -0.097 nan 8.300 nan 0.000 0.468 1091 Q N 1.991 121.920 119.800 0.216 0.000 2.353 1091 Q HA 0.599 4.857 4.340 -0.136 0.000 0.268 1091 Q C -1.579 174.557 176.000 0.227 0.000 1.045 1091 Q CA -1.143 54.761 55.803 0.168 0.000 0.811 1091 Q CB 3.168 31.936 28.738 0.050 0.000 1.305 1091 Q HN 0.540 nan 8.270 nan 0.000 0.447 1092 L N 3.414 124.773 121.223 0.228 0.000 2.276 1092 L HA 0.498 4.757 4.340 -0.136 0.000 0.286 1092 L C -1.379 175.569 176.870 0.129 0.000 1.024 1092 L CA -0.096 54.886 54.840 0.237 0.000 0.826 1092 L CB 0.563 42.809 42.059 0.311 0.000 1.211 1092 L HN 0.549 nan 8.230 nan 0.000 0.422 1093 I N 5.687 126.312 120.570 0.093 0.000 2.385 1093 I HA 0.370 4.459 4.170 -0.136 0.000 0.294 1093 I C -0.522 175.585 176.117 -0.015 0.000 0.988 1093 I CA -0.894 60.420 61.300 0.023 0.000 1.265 1093 I CB 1.788 39.779 38.000 -0.015 0.000 1.388 1093 I HN 0.304 nan 8.210 nan 0.000 0.480 1094 V N 7.404 127.266 119.914 -0.086 0.000 2.417 1094 V HA 0.508 4.546 4.120 -0.136 0.000 0.291 1094 V C -0.020 175.944 176.094 -0.216 0.000 1.024 1094 V CA -0.429 61.717 62.300 -0.258 0.000 0.861 1094 V CB 1.852 33.512 31.823 -0.271 0.000 0.985 1094 V HN 0.481 nan 8.190 nan 0.000 0.436 1095 I N 3.772 124.190 120.570 -0.253 0.000 2.582 1095 I HA 0.416 4.505 4.170 -0.136 0.000 0.292 1095 I C -0.429 175.587 176.117 -0.168 0.000 1.066 1095 I CA -0.653 60.548 61.300 -0.165 0.000 1.053 1095 I CB 2.314 40.241 38.000 -0.122 0.000 1.241 1095 I HN 0.506 nan 8.210 nan 0.000 0.421 1096 N N 7.588 126.217 118.700 -0.118 0.000 2.437 1096 N HA 0.260 4.919 4.740 -0.136 0.000 0.243 1096 N C -2.021 173.447 175.510 -0.070 0.000 1.041 1096 N CA -2.120 50.875 53.050 -0.092 0.000 0.940 1096 N CB 1.618 40.064 38.487 -0.069 0.000 1.133 1096 N HN 0.235 nan 8.380 nan 0.000 0.506 1097 P HA -0.074 nan 4.420 nan 0.000 0.220 1097 P C 0.966 178.242 177.300 -0.040 0.000 1.148 1097 P CA 1.059 64.129 63.100 -0.050 0.000 0.803 1097 P CB 0.559 32.236 31.700 -0.038 0.000 0.782 1098 K N -0.166 120.214 120.400 -0.033 0.000 2.044 1098 K HA -0.053 4.185 4.320 -0.136 0.000 0.204 1098 K C 2.021 178.605 176.600 -0.027 0.000 1.049 1098 K CA 1.959 58.231 56.287 -0.025 0.000 0.945 1098 K CB -1.293 31.195 32.500 -0.019 0.000 0.724 1098 K HN 0.171 nan 8.250 nan 0.000 0.440 1099 T N -3.757 110.779 114.554 -0.029 0.000 3.023 1099 T HA 0.007 4.276 4.350 -0.136 0.000 0.266 1099 T C 0.943 175.625 174.700 -0.029 0.000 1.093 1099 T CA 1.257 63.341 62.100 -0.027 0.000 1.129 1099 T CB -0.237 68.615 68.868 -0.026 0.000 0.899 1099 T HN 0.239 nan 8.240 nan 0.000 0.491 1100 T N 0.133 114.665 114.554 -0.037 0.000 6.424 1100 T HA -0.105 4.164 4.350 -0.136 0.000 0.279 1100 T C -0.276 174.402 174.700 -0.037 0.000 2.176 1100 T CA 0.691 62.768 62.100 -0.038 0.000 3.628 1100 T CB -1.421 67.430 68.868 -0.029 0.000 1.165 1100 T HN 0.337 nan 8.240 nan 0.000 1.080 1101 L N 2.041 123.241 121.223 -0.037 0.000 2.371 1101 L HA 0.556 4.814 4.340 -0.136 0.000 0.272 1101 L C 0.783 177.623 176.870 -0.050 0.000 1.124 1101 L CA 0.060 54.879 54.840 -0.035 0.000 0.816 1101 L CB 1.127 43.168 42.059 -0.029 0.000 1.129 1101 L HN 0.076 nan 8.230 nan 0.000 0.448 1102 S N 1.048 116.721 115.700 -0.047 0.000 2.523 1102 S HA 0.292 4.680 4.470 -0.136 0.000 0.275 1102 S C 0.839 175.406 174.600 -0.055 0.000 1.281 1102 S CA -0.506 57.658 58.200 -0.060 0.000 1.050 1102 S CB 1.153 64.322 63.200 -0.053 0.000 0.937 1102 S HN 0.543 nan 8.310 nan 0.000 0.492 1103 V N 0.877 120.748 119.914 -0.071 0.000 3.528 1103 V HA 0.701 4.739 4.120 -0.136 0.000 0.294 1103 V C 0.549 176.615 176.094 -0.047 0.000 1.404 1103 V CA 0.707 62.971 62.300 -0.060 0.000 1.065 1103 V CB -0.458 31.317 31.823 -0.079 0.000 0.904 1103 V HN 0.948 nan 8.190 nan 0.000 0.435 1104 G N -0.674 108.099 108.800 -0.044 0.000 2.336 1104 G HA2 0.472 4.351 3.960 -0.136 0.000 0.300 1104 G HA3 0.472 4.351 3.960 -0.136 0.000 0.300 1104 G C -1.662 173.226 174.900 -0.020 0.000 1.375 1104 G CA 0.086 45.171 45.100 -0.025 0.000 0.885 1104 G HN 0.842 nan 8.290 nan 0.000 0.599 1105 V N 0.282 120.189 119.914 -0.011 0.000 2.752 1105 V HA 0.660 4.699 4.120 -0.136 0.000 0.302 1105 V C -0.390 175.688 176.094 -0.026 0.000 1.133 1105 V CA -0.562 61.732 62.300 -0.009 0.000 0.919 1105 V CB 1.678 33.490 31.823 -0.019 0.000 1.026 1105 V HN 1.177 nan 8.190 nan 0.000 0.429 1106 M N 5.604 125.184 119.600 -0.034 0.000 2.423 1106 M HA 0.712 5.111 4.480 -0.136 0.000 0.335 1106 M C -1.496 174.662 176.300 -0.235 0.000 1.177 1106 M CA -0.225 54.991 55.300 -0.140 0.000 1.038 1106 M CB 1.421 33.919 32.600 -0.170 0.000 1.641 1106 M HN 0.567 nan 8.290 nan 0.000 0.455 1107 L N 4.902 125.935 121.223 -0.317 0.000 2.317 1107 L HA 0.468 4.726 4.340 -0.136 0.000 0.281 1107 L C -1.522 175.043 176.870 -0.507 0.000 1.024 1107 L CA -0.690 53.977 54.840 -0.288 0.000 0.810 1107 L CB 1.378 43.365 42.059 -0.120 0.000 1.240 1107 L HN 0.688 nan 8.230 nan 0.000 0.427 1108 Y N 1.648 121.886 120.300 -0.104 0.000 2.356 1108 Y HA 0.405 4.869 4.550 -0.143 0.000 0.334 1108 Y C -0.026 175.808 175.900 -0.109 0.000 0.958 1108 Y CA -0.593 57.373 58.100 -0.223 0.000 1.196 1108 Y CB 1.558 39.594 38.460 -0.707 0.000 1.137 1108 Y HN 0.460 nan 8.280 nan 0.000 0.485 1109 C N 3.816 123.339 119.300 0.372 0.000 2.614 1109 C HA 0.561 4.939 4.460 -0.136 0.000 0.320 1109 C C 0.151 175.504 174.990 0.605 0.000 1.200 1109 C CA -1.327 57.919 59.018 0.379 0.000 1.700 1109 C CB 1.332 29.192 27.740 0.199 0.000 2.275 1109 C HN 0.750 nan 8.230 nan 0.000 0.492 1110 L N 2.991 124.494 121.223 0.466 0.000 2.461 1110 L HA 0.223 4.481 4.340 -0.136 0.000 0.272 1110 L C -1.779 175.192 176.870 0.169 0.000 1.197 1110 L CA -0.798 54.220 54.840 0.297 0.000 0.836 1110 L CB 0.092 42.273 42.059 0.205 0.000 1.105 1110 L HN 0.458 nan 8.230 nan 0.000 0.477 1111 P HA 0.048 nan 4.420 nan 0.000 0.271 1111 P C -1.904 175.423 177.300 0.046 0.000 1.238 1111 P CA -0.856 62.274 63.100 0.049 0.000 0.794 1111 P CB -0.161 31.537 31.700 -0.003 0.000 0.959 1112 P HA -0.232 nan 4.420 nan 0.000 0.218 1112 P C 0.586 177.902 177.300 0.027 0.000 1.018 1112 P CA 2.153 65.271 63.100 0.030 0.000 1.016 1112 P CB -0.581 31.130 31.700 0.019 0.000 0.748 1113 G N -0.860 107.951 108.800 0.017 0.000 2.347 1113 G HA2 0.492 4.371 3.960 -0.136 0.000 0.314 1113 G HA3 0.492 4.371 3.960 -0.136 0.000 0.314 1113 G C -1.066 173.842 174.900 0.013 0.000 1.126 1113 G CA 0.153 45.261 45.100 0.015 0.000 0.929 1113 G HN 0.127 nan 8.290 nan 0.000 0.441 1114 Q N 0.812 120.625 119.800 0.022 0.000 2.536 1114 Q HA 0.516 4.775 4.340 -0.136 0.000 0.231 1114 Q C -0.323 175.696 176.000 0.032 0.000 0.811 1114 Q CA -0.381 55.433 55.803 0.019 0.000 0.966 1114 Q CB 1.154 29.904 28.738 0.019 0.000 1.512 1114 Q HN 0.939 nan 8.270 nan 0.000 0.456 1115 A N 1.738 124.570 122.820 0.021 0.000 2.366 1115 A HA 0.876 5.115 4.320 -0.136 0.000 0.249 1115 A C 0.448 178.052 177.584 0.032 0.000 1.084 1115 A CA 0.712 52.764 52.037 0.026 0.000 0.794 1115 A CB 0.217 19.228 19.000 0.017 0.000 1.034 1115 A HN 1.580 nan 8.150 nan 0.000 0.491 1116 G N -1.739 107.086 108.800 0.041 0.000 2.627 1116 G HA2 0.595 4.474 3.960 -0.136 0.000 0.680 1116 G HA3 0.595 4.474 3.960 -0.136 0.000 0.680 1116 G C -0.670 174.270 174.900 0.066 0.000 1.341 1116 G CA 0.044 45.170 45.100 0.044 0.000 0.835 1116 G HN 1.856 nan 8.290 nan 0.000 0.643 1117 R N 0.993 121.530 120.500 0.061 0.000 2.720 1117 R HA 0.903 5.161 4.340 -0.136 0.000 0.272 1117 R C 0.229 176.583 176.300 0.089 0.000 0.991 1117 R CA -0.246 55.905 56.100 0.084 0.000 1.010 1117 R CB 0.839 31.185 30.300 0.076 0.000 1.141 1117 R HN 1.796 nan 8.270 nan 0.000 0.494 1118 F N 1.670 121.594 119.950 -0.044 0.000 2.607 1118 F HA 0.221 4.666 4.527 -0.136 0.000 0.374 1118 F C 0.975 176.749 175.800 -0.044 0.000 1.104 1118 F CA 0.370 58.311 58.000 -0.098 0.000 1.296 1118 F CB 0.820 39.689 39.000 -0.218 0.000 1.085 1118 F HN 0.489 nan 8.300 nan 0.000 0.584 1119 L N 4.144 124.857 121.223 -0.850 0.000 2.641 1119 L HA 0.372 4.631 4.340 -0.136 0.000 0.207 1119 L C -0.365 176.000 176.870 -0.842 0.000 1.049 1119 L CA 1.109 55.618 54.840 -0.552 0.000 0.866 1119 L CB -0.372 41.534 42.059 -0.255 0.000 1.264 1119 L HN 0.794 nan 8.230 nan 0.000 0.483 1120 E N -2.070 117.410 120.200 -1.200 0.000 2.435 1120 E HA 0.587 4.856 4.350 -0.136 0.000 0.277 1120 E C -0.893 175.418 176.600 -0.482 0.000 1.106 1120 E CA -0.613 55.340 56.400 -0.744 0.000 0.868 1120 E CB 0.919 30.531 29.700 -0.146 0.000 1.454 1120 E HN 0.099 nan 8.360 nan 0.000 0.452 1121 G N -0.051 108.798 108.800 0.081 0.000 2.340 1121 G HA2 0.445 4.323 3.960 -0.136 0.000 0.299 1121 G HA3 0.445 4.323 3.960 -0.136 0.000 0.299 1121 G C -2.118 172.963 174.900 0.303 0.000 1.291 1121 G CA -0.113 45.121 45.100 0.222 0.000 0.841 1121 G HN 0.622 nan 8.290 nan 0.000 0.500 1122 D N -1.701 118.889 120.400 0.316 0.000 2.736 1122 D HA 0.595 5.154 4.640 -0.136 0.000 0.223 1122 D C -1.237 175.320 176.300 0.427 0.000 1.231 1122 D CA -0.164 54.052 54.000 0.360 0.000 0.818 1122 D CB 2.423 43.419 40.800 0.327 0.000 1.587 1122 D HN 0.434 nan 8.370 nan 0.000 0.463 1123 V N 3.082 123.159 119.914 0.271 0.000 2.588 1123 V HA 0.530 4.569 4.120 -0.136 0.000 0.304 1123 V C -0.527 175.490 176.094 -0.128 0.000 1.042 1123 V CA -0.739 61.558 62.300 -0.005 0.000 0.877 1123 V CB 1.906 33.667 31.823 -0.103 0.000 0.996 1123 V HN 0.502 nan 8.190 nan 0.000 0.425 1124 K N 3.719 123.791 120.400 -0.548 0.000 2.397 1124 K HA 0.435 4.673 4.320 -0.136 0.000 0.253 1124 K C -0.179 176.196 176.600 -0.376 0.000 0.932 1124 K CA -0.456 55.589 56.287 -0.404 0.000 0.795 1124 K CB 1.510 33.721 32.500 -0.480 0.000 1.159 1124 K HN 0.793 nan 8.250 nan 0.000 0.424 1125 D N 0.806 121.138 120.400 -0.113 0.000 4.056 1125 D HA -0.300 4.259 4.640 -0.136 0.000 0.169 1125 D C 0.369 176.706 176.300 0.063 0.000 0.744 1125 D CA 2.075 56.093 54.000 0.031 0.000 1.006 1125 D CB -0.886 39.947 40.800 0.054 0.000 0.448 1125 D HN 0.885 nan 8.370 nan 0.000 0.412 1129 A N 0.906 124.066 122.820 0.568 0.000 2.365 1129 A HA 1.036 5.275 4.320 -0.136 0.000 0.318 1129 A C -0.034 177.842 177.584 0.487 0.000 1.091 1129 A CA -0.015 52.275 52.037 0.421 0.000 0.763 1129 A CB 1.402 20.372 19.000 -0.051 0.000 1.248 1129 A HN 2.607 nan 8.150 nan 0.000 0.442 1130 A N 1.662 124.723 122.820 0.402 0.000 2.449 1130 A HA 0.718 4.957 4.320 -0.136 0.000 0.302 1130 A C -0.831 176.746 177.584 -0.012 0.000 1.048 1130 A CA -0.428 51.735 52.037 0.211 0.000 0.708 1130 A CB 0.783 19.948 19.000 0.275 0.000 1.274 1130 A HN 0.747 nan 8.150 nan 0.000 0.410 1131 I N 2.656 123.134 120.570 -0.152 0.000 2.352 1131 I HA 0.219 4.308 4.170 -0.136 0.000 0.290 1131 I C -0.328 175.686 176.117 -0.173 0.000 1.036 1131 I CA 0.007 61.226 61.300 -0.135 0.000 1.336 1131 I CB 0.847 38.783 38.000 -0.106 0.000 1.407 1131 I HN 0.513 nan 8.210 nan 0.000 0.497 1132 L N 5.120 126.296 121.223 -0.078 0.000 2.399 1132 L HA 0.289 4.548 4.340 -0.136 0.000 0.265 1132 L C 1.702 178.548 176.870 -0.042 0.000 1.089 1132 L CA -0.498 54.310 54.840 -0.054 0.000 0.802 1132 L CB 1.250 43.310 42.059 0.002 0.000 1.180 1132 L HN 0.677 nan 8.230 nan 0.000 0.454 1133 T N -3.287 111.257 114.554 -0.015 0.000 2.822 1133 T HA -0.199 4.070 4.350 -0.136 0.000 0.270 1133 T C 1.841 176.559 174.700 0.030 0.000 1.064 1133 T CA 1.540 63.653 62.100 0.021 0.000 1.131 1133 T CB -0.301 68.587 68.868 0.033 0.000 0.858 1133 T HN 0.576 nan 8.240 nan 0.000 0.483 1134 S N 1.380 117.075 115.700 -0.008 0.000 2.389 1134 S HA 0.029 4.417 4.470 -0.136 0.000 0.229 1134 S C 2.128 176.588 174.600 -0.233 0.000 1.048 1134 S CA 2.116 60.281 58.200 -0.058 0.000 1.117 1134 S CB -1.069 62.092 63.200 -0.066 0.000 1.020 1134 S HN 1.132 nan 8.310 nan 0.000 0.430 1135 G N -1.091 107.528 108.800 -0.302 0.000 2.296 1135 G HA2 -0.154 3.724 3.960 -0.136 0.000 0.188 1135 G HA3 -0.154 3.724 3.960 -0.136 0.000 0.188 1135 G C 0.195 174.955 174.900 -0.234 0.000 1.000 1135 G CA 0.135 44.844 45.100 -0.650 0.000 0.672 1135 G HN 0.531 nan 8.290 nan 0.000 0.483 1136 T N 1.454 115.936 114.554 -0.121 0.000 2.910 1136 T HA 0.604 4.872 4.350 -0.136 0.000 0.293 1136 T C 0.502 175.223 174.700 0.035 0.000 1.015 1136 T CA 0.190 62.301 62.100 0.018 0.000 1.094 1136 T CB 1.593 70.436 68.868 -0.041 0.000 0.968 1136 T HN 0.270 nan 8.240 nan 0.000 0.521 1137 I N 2.186 122.753 120.570 -0.004 0.000 2.385 1137 I HA 0.557 4.645 4.170 -0.136 0.000 0.294 1137 I C 0.305 176.320 176.117 -0.171 0.000 0.988 1137 I CA -0.498 60.699 61.300 -0.172 0.000 1.265 1137 I CB 1.211 38.924 38.000 -0.478 0.000 1.388 1137 I HN 0.645 nan 8.210 nan 0.000 0.480 1138 A N 7.566 130.314 122.820 -0.121 0.000 2.355 1138 A HA 0.870 5.109 4.320 -0.136 0.000 0.324 1138 A C -0.809 176.652 177.584 -0.206 0.000 1.117 1138 A CA -0.535 51.353 52.037 -0.248 0.000 0.785 1138 A CB 1.205 20.018 19.000 -0.313 0.000 1.254 1138 A HN 0.539 nan 8.150 nan 0.000 0.453 1139 I N 0.912 121.236 120.570 -0.410 0.000 2.647 1139 I HA 0.450 4.539 4.170 -0.136 0.000 0.295 1139 I C -1.133 174.837 176.117 -0.244 0.000 1.078 1139 I CA -0.263 60.976 61.300 -0.101 0.000 1.048 1139 I CB 1.739 39.706 38.000 -0.056 0.000 1.239 1139 I HN 0.703 nan 8.210 nan 0.000 0.421 1140 W N 3.309 124.637 121.300 0.047 0.000 2.915 1140 W HA 0.255 4.832 4.660 -0.139 0.000 0.337 1140 W C -0.535 175.916 176.519 -0.114 0.000 1.102 1140 W CA -0.438 56.900 57.345 -0.012 0.000 1.224 1140 W CB 2.359 31.788 29.460 -0.052 0.000 1.416 1140 W HN 0.437 nan 8.180 nan 0.000 0.503 1141 D N 2.568 123.059 120.400 0.152 0.000 2.295 1141 D HA 0.176 4.735 4.640 -0.136 0.000 0.248 1141 D C 0.811 177.171 176.300 0.101 0.000 1.154 1141 D CA -0.024 53.993 54.000 0.027 0.000 0.857 1141 D CB 1.517 42.356 40.800 0.066 0.000 1.117 1141 D HN 0.317 nan 8.370 nan 0.000 0.468 1142 L N 3.614 124.822 121.223 -0.026 0.000 2.217 1142 L HA -0.135 4.123 4.340 -0.136 0.000 0.211 1142 L C 2.099 179.067 176.870 0.163 0.000 1.107 1142 L CA 0.028 54.854 54.840 -0.025 0.000 0.783 1142 L CB -0.106 41.851 42.059 -0.169 0.000 0.919 1142 L HN 0.454 nan 8.230 nan 0.000 0.442 1143 L N 0.079 121.371 121.223 0.116 0.000 1.989 1143 L HA -0.204 4.055 4.340 -0.136 0.000 0.211 1143 L C 2.424 179.352 176.870 0.097 0.000 1.071 1143 L CA 2.147 57.020 54.840 0.055 0.000 0.749 1143 L CB -1.218 40.851 42.059 0.017 0.000 0.890 1143 L HN 0.312 nan 8.230 nan 0.000 0.431 1144 L N -3.188 118.118 121.223 0.138 0.000 2.249 1144 L HA 0.449 4.708 4.340 -0.136 0.000 0.207 1144 L C 1.610 178.587 176.870 0.177 0.000 1.090 1144 L CA 1.052 55.968 54.840 0.125 0.000 0.802 1144 L CB -1.004 41.120 42.059 0.108 0.000 0.947 1144 L HN 0.303 nan 8.230 nan 0.000 0.453 1145 G N -1.487 107.514 108.800 0.335 0.000 2.175 1145 G HA2 -0.185 3.693 3.960 -0.136 0.000 0.244 1145 G HA3 -0.185 3.693 3.960 -0.136 0.000 0.244 1145 G C 0.249 175.432 174.900 0.472 0.000 0.982 1145 G CA 0.295 45.641 45.100 0.410 0.000 0.641 1145 G HN 0.824 nan 8.290 nan 0.000 0.527 1146 Q N -0.586 119.430 119.800 0.361 0.000 2.235 1146 Q HA 0.619 4.877 4.340 -0.136 0.000 0.250 1146 Q C 0.790 176.905 176.000 0.192 0.000 0.909 1146 Q CA -0.002 55.957 55.803 0.260 0.000 0.910 1146 Q CB 1.192 30.005 28.738 0.124 0.000 1.223 1146 Q HN 1.503 nan 8.270 nan 0.000 0.432 1147 C N 3.283 122.543 119.300 -0.067 0.000 2.595 1147 C HA 0.321 4.699 4.460 -0.136 0.000 0.374 1147 C C 1.709 176.519 174.990 -0.300 0.000 1.250 1147 C CA 0.572 59.246 59.018 -0.574 0.000 1.595 1147 C CB -1.554 25.850 27.740 -0.560 0.000 2.257 1147 C HN 0.927 nan 8.230 nan 0.000 0.568 1148 T N 2.055 116.471 114.554 -0.231 0.000 3.169 1148 T HA 0.462 4.731 4.350 -0.136 0.000 0.250 1148 T C 0.298 174.921 174.700 -0.130 0.000 1.111 1148 T CA 0.482 62.512 62.100 -0.117 0.000 1.010 1148 T CB -0.108 68.733 68.868 -0.045 0.000 0.984 1148 T HN 1.500 nan 8.240 nan 0.000 0.537 1149 A N 0.274 122.970 122.820 -0.205 0.000 2.592 1149 A HA 0.580 4.818 4.320 -0.136 0.000 0.300 1149 A C -1.619 175.826 177.584 -0.232 0.000 0.994 1149 A CA -1.027 50.903 52.037 -0.179 0.000 0.707 1149 A CB 0.318 19.233 19.000 -0.140 0.000 1.273 1149 A HN 0.313 nan 8.150 nan 0.000 0.413 1150 L N 0.980 122.091 121.223 -0.186 0.000 2.322 1150 L HA 0.872 5.131 4.340 -0.136 0.000 0.269 1150 L C -0.806 175.967 176.870 -0.162 0.000 1.012 1150 L CA -1.042 53.692 54.840 -0.177 0.000 0.815 1150 L CB 2.012 43.991 42.059 -0.133 0.000 1.295 1150 L HN 0.721 nan 8.230 nan 0.000 0.438 1151 L N 3.515 124.652 121.223 -0.142 0.000 2.595 1151 L HA 0.517 4.775 4.340 -0.136 0.000 0.259 1151 L C -2.683 174.250 176.870 0.105 0.000 1.033 1151 L CA -1.095 53.680 54.840 -0.108 0.000 0.901 1151 L CB 1.384 43.241 42.059 -0.336 0.000 1.151 1151 L HN 0.190 nan 8.230 nan 0.000 0.453 1152 P HA 0.352 nan 4.420 nan 0.000 0.272 1152 P C -2.673 174.629 177.300 0.003 0.000 1.240 1152 P CA -1.259 61.855 63.100 0.023 0.000 0.791 1152 P CB -0.170 31.500 31.700 -0.049 0.000 0.978 1153 P HA 0.034 nan 4.420 nan 0.000 0.271 1153 P C -0.697 176.276 177.300 -0.545 0.000 1.216 1153 P CA 0.100 62.725 63.100 -0.792 0.000 0.771 1153 P CB 0.201 31.517 31.700 -0.641 0.000 0.864 1154 V N 3.624 123.103 119.914 -0.724 0.000 2.439 1154 V HA 0.278 4.316 4.120 -0.136 0.000 0.271 1154 V C 1.026 176.893 176.094 -0.379 0.000 1.040 1154 V CA 0.992 62.995 62.300 -0.494 0.000 1.002 1154 V CB -0.329 31.084 31.823 -0.684 0.000 1.000 1154 V HN 1.076 nan 8.190 nan 0.000 0.477 1155 S N 3.852 119.411 115.700 -0.235 0.000 3.786 1155 S HA -0.219 4.169 4.470 -0.136 0.000 0.632 1155 S C 1.010 175.519 174.600 -0.153 0.000 2.181 1155 S CA 1.396 59.500 58.200 -0.160 0.000 2.807 1155 S CB -1.449 61.669 63.200 -0.137 0.000 0.312 1155 S HN 1.401 nan 8.310 nan 0.000 1.420 1156 D N 0.958 121.290 120.400 -0.114 0.000 2.369 1156 D HA 0.366 4.924 4.640 -0.136 0.000 0.211 1156 D C 0.860 177.119 176.300 -0.068 0.000 1.077 1156 D CA 0.636 54.591 54.000 -0.075 0.000 0.842 1156 D CB -0.145 40.620 40.800 -0.058 0.000 0.947 1156 D HN 0.593 nan 8.370 nan 0.000 0.509 1157 Q N 0.926 120.642 119.800 -0.139 0.000 2.344 1157 Q HA 0.161 4.419 4.340 -0.136 0.000 0.253 1157 Q C -0.519 175.360 176.000 -0.202 0.000 1.050 1157 Q CA -0.273 55.443 55.803 -0.145 0.000 0.912 1157 Q CB 0.330 28.973 28.738 -0.159 0.000 1.258 1157 Q HN 0.655 nan 8.270 nan 0.000 0.443 1158 H N 1.487 120.407 119.070 -0.250 0.000 3.016 1158 H HA -0.095 4.379 4.556 -0.135 0.000 0.345 1158 H C -0.339 174.862 175.328 -0.211 0.000 1.066 1158 H CA -0.104 55.806 56.048 -0.230 0.000 1.390 1158 H CB 0.576 30.279 29.762 -0.098 0.000 1.344 1158 H HN 0.519 nan 8.280 nan 0.000 0.605 1159 W N 1.869 123.136 121.300 -0.055 0.000 2.251 1159 W HA -0.039 4.541 4.660 -0.133 0.000 0.327 1159 W C 1.495 177.945 176.519 -0.116 0.000 1.361 1159 W CA -0.067 57.205 57.345 -0.123 0.000 1.234 1159 W CB 0.666 30.030 29.460 -0.160 0.000 1.212 1159 W HN 0.539 nan 8.180 nan 0.000 0.557 1160 S N 3.353 119.092 115.700 0.065 0.000 2.468 1160 S HA 0.185 4.573 4.470 -0.136 0.000 0.226 1160 S C -0.181 174.451 174.600 0.054 0.000 1.051 1160 S CA 0.249 58.452 58.200 0.005 0.000 0.943 1160 S CB 0.048 63.231 63.200 -0.028 0.000 0.810 1160 S HN 0.336 nan 8.310 nan 0.000 0.509 1161 F N -0.836 119.175 119.950 0.102 0.000 2.686 1161 F HA 0.815 5.260 4.527 -0.137 0.000 0.311 1161 F C -1.034 174.739 175.800 -0.046 0.000 1.128 1161 F CA -1.321 56.691 58.000 0.021 0.000 0.946 1161 F CB 1.538 40.549 39.000 0.019 0.000 1.336 1161 F HN -0.161 nan 8.300 nan 0.000 0.457 1162 V N 1.884 121.885 119.914 0.145 0.000 2.888 1162 V HA 0.747 4.785 4.120 -0.136 0.000 0.309 1162 V C -1.656 174.421 176.094 -0.029 0.000 1.114 1162 V CA -0.518 61.739 62.300 -0.071 0.000 0.940 1162 V CB 2.206 33.883 31.823 -0.242 0.000 1.021 1162 V HN 0.846 nan 8.190 nan 0.000 0.426 1163 K N 4.887 125.215 120.400 -0.120 0.000 2.543 1163 K HA 0.307 4.545 4.320 -0.136 0.000 0.255 1163 K C -1.601 174.905 176.600 -0.156 0.000 0.934 1163 K CA -0.327 55.924 56.287 -0.060 0.000 0.810 1163 K CB 1.918 34.444 32.500 0.043 0.000 1.315 1163 K HN 0.718 nan 8.250 nan 0.000 0.433 1164 W N 1.384 122.699 121.300 0.025 0.000 2.170 1164 W HA 0.133 4.722 4.660 -0.119 0.000 0.336 1164 W C 1.326 177.859 176.519 0.025 0.000 1.283 1164 W CA 0.216 57.571 57.345 0.016 0.000 1.224 1164 W CB 0.555 30.015 29.460 0.000 0.000 1.132 1164 W HN 0.413 nan 8.180 nan 0.000 0.571 1165 S N 1.691 117.557 115.700 0.275 0.000 2.531 1165 S HA 0.272 4.660 4.470 -0.136 0.000 0.279 1165 S C 1.141 175.829 174.600 0.147 0.000 1.305 1165 S CA -0.039 58.263 58.200 0.168 0.000 1.058 1165 S CB 0.647 63.958 63.200 0.185 0.000 0.899 1165 S HN 0.704 nan 8.310 nan 0.000 0.493 1166 G N 2.451 111.300 108.800 0.082 0.000 2.920 1166 G HA2 0.044 3.923 3.960 -0.136 0.000 0.208 1166 G HA3 0.044 3.923 3.960 -0.136 0.000 0.208 1166 G C 1.122 176.019 174.900 -0.005 0.000 1.159 1166 G CA 0.629 45.770 45.100 0.068 0.000 0.784 1166 G HN 0.865 nan 8.290 nan 0.000 0.535 1167 T N -2.524 111.966 114.554 -0.107 0.000 3.000 1167 T HA 0.287 4.555 4.350 -0.136 0.000 0.248 1167 T C 0.550 175.285 174.700 0.058 0.000 1.034 1167 T CA 0.724 62.631 62.100 -0.322 0.000 1.060 1167 T CB 0.478 68.882 68.868 -0.773 0.000 0.983 1167 T HN 0.393 nan 8.240 nan 0.000 0.482 1168 D N -0.004 120.460 120.400 0.107 0.000 3.103 1168 D HA 0.333 4.891 4.640 -0.136 0.000 0.337 1168 D C -1.010 175.317 176.300 0.044 0.000 1.356 1168 D CA -0.779 53.298 54.000 0.130 0.000 0.951 1168 D CB 0.378 41.303 40.800 0.208 0.000 1.438 1168 D HN -0.152 nan 8.370 nan 0.000 0.562 1169 S N -0.846 114.773 115.700 -0.135 0.000 3.983 1169 S HA 0.289 4.677 4.470 -0.136 0.000 0.194 1169 S C -1.079 173.195 174.600 -0.543 0.000 1.464 1169 S CA -0.265 57.770 58.200 -0.275 0.000 1.021 1169 S CB -1.140 61.868 63.200 -0.320 0.000 1.424 1169 S HN 0.277 nan 8.310 nan 0.000 0.473 1170 H N 0.209 119.369 119.070 0.150 0.000 2.768 1170 H HA 0.447 4.923 4.556 -0.133 0.000 0.371 1170 H C -0.745 174.661 175.328 0.129 0.000 1.151 1170 H CA -0.848 55.286 56.048 0.142 0.000 1.165 1170 H CB 1.145 30.994 29.762 0.145 0.000 1.722 1170 H HN 0.174 nan 8.280 nan 0.000 0.543 1171 L N 3.885 125.195 121.223 0.146 0.000 2.282 1171 L HA 0.404 4.663 4.340 -0.136 0.000 0.288 1171 L C -1.106 175.729 176.870 -0.059 0.000 1.033 1171 L CA -0.634 54.091 54.840 -0.192 0.000 0.807 1171 L CB 0.624 42.413 42.059 -0.451 0.000 1.209 1171 L HN 0.588 nan 8.230 nan 0.000 0.423 1172 L N 5.150 126.287 121.223 -0.144 0.000 2.272 1172 L HA 0.579 4.837 4.340 -0.136 0.000 0.289 1172 L C 0.073 176.845 176.870 -0.163 0.000 1.032 1172 L CA -0.322 54.463 54.840 -0.092 0.000 0.810 1172 L CB 1.476 43.498 42.059 -0.062 0.000 1.205 1172 L HN 0.668 nan 8.230 nan 0.000 0.422 1173 A N 2.556 125.286 122.820 -0.151 0.000 2.330 1173 A HA 0.846 5.084 4.320 -0.136 0.000 0.313 1173 A C -0.078 177.467 177.584 -0.065 0.000 1.124 1173 A CA -0.370 51.438 52.037 -0.383 0.000 0.774 1173 A CB 1.447 19.769 19.000 -1.130 0.000 1.198 1173 A HN 0.732 nan 8.150 nan 0.000 0.465 1174 G N 0.982 109.632 108.800 -0.250 0.000 2.482 1174 G HA2 0.592 4.471 3.960 -0.136 0.000 0.317 1174 G HA3 0.592 4.471 3.960 -0.136 0.000 0.317 1174 G C -0.857 173.825 174.900 -0.363 0.000 1.241 1174 G CA -0.547 44.265 45.100 -0.481 0.000 0.967 1174 G HN 0.774 nan 8.290 nan 0.000 0.482 1175 Q N 0.501 120.217 119.800 -0.141 0.000 2.301 1175 Q HA 0.358 4.616 4.340 -0.136 0.000 0.267 1175 Q C -0.626 175.338 176.000 -0.059 0.000 1.035 1175 Q CA -0.891 54.866 55.803 -0.076 0.000 0.856 1175 Q CB 2.634 31.375 28.738 0.005 0.000 1.337 1175 Q HN 0.380 nan 8.270 nan 0.000 0.450 1176 K N 1.112 121.516 120.400 0.007 0.000 2.382 1176 K HA 0.165 4.403 4.320 -0.136 0.000 0.286 1176 K C 0.050 176.678 176.600 0.046 0.000 1.062 1176 K CA 1.267 57.601 56.287 0.078 0.000 1.000 1176 K CB 0.053 32.599 32.500 0.076 0.000 0.954 1176 K HN 0.916 nan 8.250 nan 0.000 0.470 1177 D N 2.029 122.465 120.400 0.061 0.000 1.367 1177 D HA 0.007 4.565 4.640 -0.136 0.000 0.758 1177 D C 0.554 176.886 176.300 0.053 0.000 0.713 1177 D CA -0.001 54.026 54.000 0.045 0.000 1.249 1177 D CB -0.242 40.578 40.800 0.034 0.000 1.531 1177 D HN 0.512 nan 8.370 nan 0.000 0.449 1178 G N 1.610 110.446 108.800 0.060 0.000 3.678 1178 G HA2 0.471 4.350 3.960 -0.136 0.000 0.344 1178 G HA3 0.471 4.350 3.960 -0.136 0.000 0.344 1178 G C -0.795 174.105 174.900 -0.000 0.000 1.450 1178 G CA -0.231 44.908 45.100 0.066 0.000 1.078 1178 G HN 0.263 nan 8.290 nan 0.000 0.474 1179 N N 1.897 120.575 118.700 -0.036 0.000 2.470 1179 N HA 0.170 4.829 4.740 -0.136 0.000 0.268 1179 N C 0.092 175.471 175.510 -0.218 0.000 1.136 1179 N CA -0.134 52.809 53.050 -0.178 0.000 0.961 1179 N CB 1.894 40.286 38.487 -0.158 0.000 1.067 1179 N HN 0.184 nan 8.380 nan 0.000 0.468 1180 I N 3.035 123.389 120.570 -0.361 0.000 2.353 1180 I HA 0.309 4.398 4.170 -0.136 0.000 0.293 1180 I C -0.021 175.799 176.117 -0.494 0.000 0.992 1180 I CA -0.506 60.619 61.300 -0.292 0.000 1.268 1180 I CB -0.158 37.653 38.000 -0.315 0.000 1.387 1180 I HN 0.225 nan 8.210 nan 0.000 0.478 1181 F N 5.174 125.138 119.950 0.023 0.000 2.411 1181 F HA 0.396 4.841 4.527 -0.137 0.000 0.352 1181 F C 0.291 175.993 175.800 -0.162 0.000 1.123 1181 F CA -0.838 57.139 58.000 -0.038 0.000 1.044 1181 F CB 1.593 40.697 39.000 0.174 0.000 1.135 1181 F HN 0.027 nan 8.300 nan 0.000 0.461 1182 V N 4.892 124.726 119.914 -0.134 0.000 2.364 1182 V HA 0.260 4.299 4.120 -0.136 0.000 0.272 1182 V C -0.606 175.354 176.094 -0.223 0.000 1.036 1182 V CA -0.881 61.348 62.300 -0.119 0.000 0.880 1182 V CB 0.095 31.853 31.823 -0.109 0.000 0.991 1182 V HN 0.535 nan 8.190 nan 0.000 0.460 1183 Y N 2.869 123.214 120.300 0.075 0.000 2.387 1183 Y HA 0.429 4.897 4.550 -0.136 0.000 0.336 1183 Y C 0.583 176.689 175.900 0.343 0.000 1.067 1183 Y CA -0.681 57.507 58.100 0.146 0.000 1.114 1183 Y CB 1.073 39.551 38.460 0.030 0.000 1.208 1183 Y HN 0.566 nan 8.280 nan 0.000 0.458 1184 H N 2.535 121.877 119.070 0.453 0.000 2.668 1184 H HA 0.289 4.764 4.556 -0.134 0.000 0.303 1184 H C -1.110 174.349 175.328 0.220 0.000 1.074 1184 H CA 0.010 56.296 56.048 0.396 0.000 1.406 1184 H CB -0.021 29.928 29.762 0.312 0.000 1.442 1184 H HN 0.891 nan 8.280 nan 0.000 0.482 1185 Y N 3.040 123.176 120.300 -0.274 0.000 2.326 1185 Y HA 0.500 4.968 4.550 -0.136 0.000 0.337 1185 Y C 0.132 175.833 175.900 -0.333 0.000 1.023 1185 Y CA -0.358 57.652 58.100 -0.149 0.000 1.143 1185 Y CB 0.833 39.337 38.460 0.072 0.000 1.183 1185 Y HN 0.836 nan 8.280 nan 0.000 0.485 1186 S N 0.000 115.668 115.700 -0.053 0.000 2.498 1186 S HA 0.000 4.388 4.470 -0.136 0.000 0.327 1186 S CA 0.000 58.216 58.200 0.027 0.000 1.107 1186 S CB 0.000 63.318 63.200 0.196 0.000 0.593 1186 S HN 0.000 nan 8.310 nan 0.000 0.517