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 2c7s_1_A DATA FIRST_RESID 865 DATA SEQUENCE MPAIRVADLL QHINLMKTSD SYGFKEEYES FFEGQSASWD VAKKDQNRAK DATA SEQUENCE NRYGNIIAYD HSRVILQPVX XDPSSDYINA NYIDGYQRPS HYIATQGPVH DATA SEQUENCE ETVYDFWRMI WQEQSACIVM VTNLVEVGRV KCYKYWPDDT EVYGDFKVTC DATA SEQUENCE VEMEPLAEYV VRTFTLERRG YNEIREVKQF HFTGWPDHGV PYHATGLLSF DATA SEQUENCE IRRVKLSNPP SAGPIVVHCS AGAGRTGCYI VIDIMLDMAE REGVVDIYNC DATA SEQUENCE VKALRSRRIN MVQTEEQYIF IHDAILEACL cGETAIPVcE F 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 865 M HA 0.000 nan 4.480 nan 0.000 0.227 865 M C 0.000 176.319 176.300 0.032 0.000 1.140 865 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 865 M CB 0.000 32.561 32.600 -0.065 0.000 1.302 866 P HA 0.620 nan 4.420 nan 0.000 0.276 866 P C -0.369 176.939 177.300 0.014 0.000 1.244 866 P CA -0.407 62.698 63.100 0.008 0.000 0.801 866 P CB 0.700 32.390 31.700 -0.017 0.000 1.006 867 A N 1.691 124.523 122.820 0.019 0.000 2.406 867 A HA 0.373 4.694 4.320 0.001 0.000 0.243 867 A C 0.272 177.832 177.584 -0.040 0.000 1.082 867 A CA -0.322 51.721 52.037 0.010 0.000 0.786 867 A CB -0.442 18.571 19.000 0.022 0.000 1.029 867 A HN 0.510 nan 8.150 nan 0.000 0.495 868 I N 1.353 121.884 120.570 -0.066 0.000 2.354 868 I HA 0.271 4.442 4.170 0.001 0.000 0.292 868 I C 0.551 176.635 176.117 -0.055 0.000 0.989 868 I CA -0.315 60.921 61.300 -0.107 0.000 1.188 868 I CB 1.451 39.329 38.000 -0.203 0.000 1.342 868 I HN 0.664 nan 8.210 nan 0.000 0.457 869 R N 3.767 124.243 120.500 -0.040 0.000 2.570 869 R HA 0.071 4.412 4.340 0.001 0.000 0.277 869 R C 1.056 177.346 176.300 -0.018 0.000 1.039 869 R CA -0.231 55.855 56.100 -0.024 0.000 1.065 869 R CB 0.757 31.048 30.300 -0.015 0.000 0.964 869 R HN 0.518 nan 8.270 nan 0.000 0.428 870 V N 2.963 122.865 119.914 -0.019 0.000 2.392 870 V HA -0.292 3.829 4.120 0.001 0.000 0.249 870 V C 2.191 178.284 176.094 -0.002 0.000 1.059 870 V CA 2.386 64.677 62.300 -0.016 0.000 1.051 870 V CB -0.604 31.203 31.823 -0.028 0.000 0.658 870 V HN 0.980 nan 8.190 nan 0.000 0.455 871 A N -0.576 122.243 122.820 -0.001 0.000 2.019 871 A HA -0.198 4.122 4.320 0.001 0.000 0.219 871 A C 1.807 179.401 177.584 0.016 0.000 1.164 871 A CA 1.784 53.825 52.037 0.006 0.000 0.644 871 A CB -0.354 18.648 19.000 0.003 0.000 0.805 871 A HN 0.557 nan 8.150 nan 0.000 0.449 872 D N -1.013 119.398 120.400 0.018 0.000 2.349 872 D HA 0.062 4.702 4.640 0.001 0.000 0.214 872 D C 1.501 177.843 176.300 0.071 0.000 1.063 872 D CA 0.007 54.027 54.000 0.034 0.000 0.847 872 D CB 0.263 41.074 40.800 0.019 0.000 0.933 872 D HN 0.336 nan 8.370 nan 0.000 0.513 873 L N 0.791 122.054 121.223 0.067 0.000 2.083 873 L HA -0.099 4.242 4.340 0.001 0.000 0.209 873 L C 1.929 178.884 176.870 0.142 0.000 1.083 873 L CA 1.199 56.111 54.840 0.120 0.000 0.752 873 L CB -0.493 41.611 42.059 0.077 0.000 0.899 873 L HN 0.005 nan 8.230 nan 0.000 0.433 874 L N -0.664 120.611 121.223 0.086 0.000 2.017 874 L HA -0.225 4.116 4.340 0.001 0.000 0.208 874 L C 2.464 179.373 176.870 0.065 0.000 1.073 874 L CA 1.820 56.701 54.840 0.069 0.000 0.745 874 L CB -0.816 41.269 42.059 0.045 0.000 0.894 874 L HN 0.422 nan 8.230 nan 0.000 0.432 875 Q N -1.645 118.195 119.800 0.066 0.000 2.119 875 Q HA -0.266 4.075 4.340 0.001 0.000 0.201 875 Q C 2.191 178.228 176.000 0.062 0.000 0.972 875 Q CA 1.580 57.415 55.803 0.052 0.000 0.847 875 Q CB -0.162 28.605 28.738 0.047 0.000 0.903 875 Q HN 0.698 nan 8.270 nan 0.000 0.433 876 H N 0.498 119.574 119.070 0.011 0.000 2.353 876 H HA -0.102 4.455 4.556 0.001 0.000 0.300 876 H C 1.731 177.035 175.328 -0.040 0.000 1.090 876 H CA 1.857 57.904 56.048 -0.002 0.000 1.327 876 H CB -0.145 29.640 29.762 0.038 0.000 1.383 876 H HN 0.170 nan 8.280 nan 0.000 0.508 877 I N 0.333 120.867 120.570 -0.060 0.000 2.202 877 I HA -0.293 3.878 4.170 0.001 0.000 0.242 877 I C 2.698 178.751 176.117 -0.108 0.000 1.091 877 I CA 1.453 62.707 61.300 -0.075 0.000 1.368 877 I CB -0.508 37.576 38.000 0.140 0.000 1.058 877 I HN 0.484 nan 8.210 nan 0.000 0.410 878 N N 1.707 120.378 118.700 -0.048 0.000 2.036 878 N HA -0.254 4.487 4.740 0.001 0.000 0.195 878 N C 2.201 177.652 175.510 -0.097 0.000 1.037 878 N CA 1.680 54.704 53.050 -0.042 0.000 0.855 878 N CB -0.124 38.355 38.487 -0.014 0.000 1.033 878 N HN 0.361 nan 8.380 nan 0.000 0.423 879 L N 0.559 121.704 121.223 -0.130 0.000 2.042 879 L HA -0.158 4.183 4.340 0.001 0.000 0.210 879 L C 2.418 179.135 176.870 -0.256 0.000 1.076 879 L CA 1.208 55.959 54.840 -0.147 0.000 0.749 879 L CB -0.230 41.764 42.059 -0.108 0.000 0.893 879 L HN 0.221 nan 8.230 nan 0.000 0.432 880 M N -0.341 118.966 119.600 -0.487 0.000 2.296 880 M HA -0.162 4.318 4.480 0.001 0.000 0.265 880 M C 1.953 177.936 176.300 -0.528 0.000 1.064 880 M CA 1.538 56.360 55.300 -0.796 0.000 1.109 880 M CB -0.728 30.824 32.600 -1.746 0.000 1.396 880 M HN 0.281 nan 8.290 nan 0.000 0.430 881 K N -1.234 119.029 120.400 -0.228 0.000 2.426 881 K HA 0.043 4.364 4.320 0.001 0.000 0.193 881 K C 1.529 178.111 176.600 -0.031 0.000 1.028 881 K CA 0.581 56.868 56.287 -0.000 0.000 1.047 881 K CB 0.353 32.899 32.500 0.076 0.000 0.821 881 K HN 0.190 nan 8.250 nan 0.000 0.513 882 T N -0.607 113.902 114.554 -0.076 0.000 3.058 882 T HA 0.008 4.359 4.350 0.001 0.000 0.247 882 T C 0.464 175.135 174.700 -0.048 0.000 0.987 882 T CA -0.071 62.000 62.100 -0.048 0.000 1.062 882 T CB 0.424 69.266 68.868 -0.043 0.000 1.048 882 T HN 0.071 nan 8.240 nan 0.000 0.468 883 S N 1.692 117.350 115.700 -0.071 0.000 2.549 883 S HA 0.276 4.746 4.470 0.001 0.000 0.286 883 S C 1.205 175.785 174.600 -0.033 0.000 1.314 883 S CA 0.781 58.954 58.200 -0.045 0.000 1.062 883 S CB 0.586 63.762 63.200 -0.041 0.000 0.865 883 S HN 0.518 nan 8.310 nan 0.000 0.498 884 D N 3.510 123.903 120.400 -0.012 0.000 2.249 884 D HA 0.132 4.773 4.640 0.001 0.000 0.205 884 D C 2.367 178.672 176.300 0.009 0.000 0.962 884 D CA 1.356 55.353 54.000 -0.004 0.000 0.860 884 D CB -1.043 39.757 40.800 -0.000 0.000 0.955 884 D HN 0.805 nan 8.370 nan 0.000 0.505 885 S N -1.410 114.304 115.700 0.024 0.000 2.329 885 S HA 0.284 4.755 4.470 0.001 0.000 0.215 885 S C 0.767 175.435 174.600 0.113 0.000 1.031 885 S CA 1.281 59.514 58.200 0.056 0.000 0.985 885 S CB -0.157 63.075 63.200 0.054 0.000 0.917 885 S HN 0.639 nan 8.310 nan 0.000 0.441 886 Y N 0.231 120.501 120.300 -0.050 0.000 2.315 886 Y HA 0.532 5.083 4.550 0.001 0.000 0.324 886 Y C 0.073 175.913 175.900 -0.100 0.000 1.062 886 Y CA -0.551 57.512 58.100 -0.062 0.000 1.159 886 Y CB 0.923 39.343 38.460 -0.066 0.000 1.145 886 Y HN 0.331 nan 8.280 nan 0.000 0.442 887 G N 2.724 111.227 108.800 -0.495 0.000 3.183 887 G HA2 0.187 4.148 3.960 0.001 0.000 0.247 887 G HA3 0.187 4.148 3.960 0.001 0.000 0.247 887 G C -0.413 174.188 174.900 -0.498 0.000 1.211 887 G CA -0.667 44.142 45.100 -0.485 0.000 0.835 887 G HN 0.442 nan 8.290 nan 0.000 0.604 888 F N 0.512 120.336 119.950 -0.210 0.000 2.171 888 F HA 0.071 4.598 4.527 0.001 0.000 0.300 888 F C 2.669 178.462 175.800 -0.012 0.000 1.090 888 F CA 1.549 59.503 58.000 -0.076 0.000 1.293 888 F CB 0.078 39.053 39.000 -0.043 0.000 1.013 888 F HN 0.378 nan 8.300 nan 0.000 0.486 889 K N 0.459 120.932 120.400 0.122 0.000 2.026 889 K HA -0.222 4.099 4.320 0.001 0.000 0.208 889 K C 1.889 178.510 176.600 0.035 0.000 1.048 889 K CA 1.928 58.274 56.287 0.097 0.000 0.929 889 K CB -0.074 32.456 32.500 0.049 0.000 0.713 889 K HN 0.095 nan 8.250 nan 0.000 0.439 890 E N 0.692 120.823 120.200 -0.115 0.000 2.072 890 E HA -0.182 4.169 4.350 0.001 0.000 0.191 890 E C 1.860 178.370 176.600 -0.150 0.000 0.985 890 E CA 1.454 57.767 56.400 -0.144 0.000 0.801 890 E CB -0.044 29.525 29.700 -0.218 0.000 0.750 890 E HN 0.431 nan 8.360 nan 0.000 0.452 891 E N -0.576 119.434 120.200 -0.317 0.000 2.031 891 E HA -0.239 4.112 4.350 0.001 0.000 0.193 891 E C 1.939 178.465 176.600 -0.123 0.000 0.994 891 E CA 0.958 57.284 56.400 -0.123 0.000 0.800 891 E CB -0.256 29.446 29.700 0.004 0.000 0.752 891 E HN 0.319 nan 8.360 nan 0.000 0.447 892 Y N 1.574 121.819 120.300 -0.091 0.000 2.165 892 Y HA -0.167 4.383 4.550 0.001 0.000 0.286 892 Y C 1.773 177.648 175.900 -0.041 0.000 1.155 892 Y CA 2.025 60.064 58.100 -0.102 0.000 1.164 892 Y CB -0.006 38.502 38.460 0.080 0.000 0.978 892 Y HN 0.120 nan 8.280 nan 0.000 0.513 893 E N -0.789 119.389 120.200 -0.038 0.000 2.338 893 E HA -0.145 4.206 4.350 0.001 0.000 0.197 893 E C 2.119 178.647 176.600 -0.120 0.000 1.007 893 E CA 0.981 57.337 56.400 -0.073 0.000 0.849 893 E CB -0.155 29.555 29.700 0.018 0.000 0.774 893 E HN 0.566 nan 8.360 nan 0.000 0.506 894 S N 0.054 115.659 115.700 -0.159 0.000 2.522 894 S HA -0.022 4.449 4.470 0.001 0.000 0.227 894 S C 0.566 175.109 174.600 -0.095 0.000 0.986 894 S CA -0.167 57.974 58.200 -0.098 0.000 0.929 894 S CB -0.210 62.970 63.200 -0.033 0.000 0.769 894 S HN -0.042 nan 8.310 nan 0.000 0.529 895 F N 1.754 121.646 119.950 -0.096 0.000 2.496 895 F HA 0.373 4.900 4.527 0.001 0.000 0.344 895 F C 0.388 176.144 175.800 -0.074 0.000 1.155 895 F CA -1.728 56.187 58.000 -0.143 0.000 1.302 895 F CB 0.047 38.832 39.000 -0.358 0.000 1.159 895 F HN 0.115 nan 8.300 nan 0.000 0.595 896 F N 2.995 123.014 119.950 0.115 0.000 2.466 896 F HA 0.142 4.670 4.527 0.001 0.000 0.363 896 F C 0.519 176.336 175.800 0.029 0.000 1.109 896 F CA -0.185 57.843 58.000 0.048 0.000 1.161 896 F CB -0.079 38.946 39.000 0.041 0.000 1.117 896 F HN 0.422 nan 8.300 nan 0.000 0.539 897 E N 4.924 124.943 120.200 -0.302 0.000 2.283 897 E HA 0.496 4.847 4.350 0.001 0.000 0.278 897 E C 0.468 176.950 176.600 -0.197 0.000 1.027 897 E CA 0.443 56.742 56.400 -0.169 0.000 0.843 897 E CB 1.005 30.607 29.700 -0.163 0.000 1.062 897 E HN 0.989 nan 8.360 nan 0.000 0.401 898 G N 3.066 111.903 108.800 0.063 0.000 2.660 898 G HA2 -0.285 3.676 3.960 0.001 0.000 0.215 898 G HA3 -0.285 3.676 3.960 0.001 0.000 0.215 898 G C -0.483 174.627 174.900 0.350 0.000 1.345 898 G CA -0.236 44.962 45.100 0.164 0.000 0.877 898 G HN 0.615 nan 8.290 nan 0.000 0.549 899 Q N 0.139 120.090 119.800 0.251 0.000 2.281 899 Q HA 0.461 4.802 4.340 0.001 0.000 0.267 899 Q C 1.495 177.565 176.000 0.117 0.000 1.053 899 Q CA 0.619 56.454 55.803 0.053 0.000 0.905 899 Q CB 0.306 28.805 28.738 -0.399 0.000 1.195 899 Q HN 1.124 nan 8.270 nan 0.000 0.398 900 S N 2.163 117.825 115.700 -0.064 0.000 2.523 900 S HA 0.488 4.959 4.470 0.001 0.000 0.217 900 S C 0.093 174.313 174.600 -0.632 0.000 0.996 900 S CA 0.078 57.985 58.200 -0.487 0.000 0.921 900 S CB 0.813 63.617 63.200 -0.660 0.000 0.829 900 S HN 0.581 nan 8.310 nan 0.000 0.495 901 A N 1.459 123.776 122.820 -0.838 0.000 2.609 901 A HA 0.754 5.075 4.320 0.001 0.000 0.291 901 A C -0.176 177.087 177.584 -0.535 0.000 1.096 901 A CA -0.389 51.201 52.037 -0.744 0.000 0.684 901 A CB 0.684 19.140 19.000 -0.908 0.000 1.282 901 A HN 0.771 nan 8.150 nan 0.000 0.412 902 S N -0.043 115.497 115.700 -0.266 0.000 2.558 902 S HA 0.318 4.788 4.470 0.001 0.000 0.288 902 S C -0.300 174.381 174.600 0.135 0.000 1.318 902 S CA 0.660 58.794 58.200 -0.110 0.000 1.056 902 S CB -0.158 63.035 63.200 -0.010 0.000 0.853 902 S HN 1.730 nan 8.310 nan 0.000 0.505 903 W N 1.550 122.959 121.300 0.182 0.000 1.259 903 W HA 0.520 5.181 4.660 0.001 0.000 0.299 903 W C -0.393 176.173 176.519 0.079 0.000 0.843 903 W CA -1.768 55.686 57.345 0.182 0.000 2.171 903 W CB -1.315 28.278 29.460 0.221 0.000 1.945 903 W HN 0.513 nan 8.180 nan 0.000 0.493 904 D N 0.969 121.555 120.400 0.311 0.000 2.097 904 D HA -0.174 4.467 4.640 0.001 0.000 0.195 904 D C 2.070 178.424 176.300 0.090 0.000 0.989 904 D CA 1.644 55.755 54.000 0.186 0.000 0.827 904 D CB -0.141 40.731 40.800 0.121 0.000 0.966 904 D HN 0.210 nan 8.370 nan 0.000 0.456 905 V N 1.635 121.595 119.914 0.077 0.000 2.343 905 V HA -0.210 3.911 4.120 0.001 0.000 0.247 905 V C 2.576 178.506 176.094 -0.273 0.000 1.051 905 V CA 1.720 64.006 62.300 -0.024 0.000 1.036 905 V CB -0.793 31.073 31.823 0.073 0.000 0.654 905 V HN 0.172 nan 8.190 nan 0.000 0.451 906 A N -0.926 121.723 122.820 -0.284 0.000 1.972 906 A HA -0.190 4.131 4.320 0.001 0.000 0.219 906 A C 2.199 179.499 177.584 -0.472 0.000 1.169 906 A CA 1.531 53.189 52.037 -0.631 0.000 0.635 906 A CB -0.312 18.570 19.000 -0.196 0.000 0.810 906 A HN 0.365 nan 8.150 nan 0.000 0.446 907 K N 0.374 120.628 120.400 -0.242 0.000 2.426 907 K HA 0.013 4.334 4.320 0.001 0.000 0.193 907 K C 0.427 176.953 176.600 -0.122 0.000 1.028 907 K CA 0.297 56.484 56.287 -0.166 0.000 1.047 907 K CB 0.028 32.526 32.500 -0.004 0.000 0.821 907 K HN 0.801 nan 8.250 nan 0.000 0.513 908 K N 1.000 121.318 120.400 -0.138 0.000 2.258 908 K HA 0.050 4.371 4.320 0.001 0.000 0.264 908 K C -0.055 176.485 176.600 -0.101 0.000 1.007 908 K CA -0.137 56.095 56.287 -0.090 0.000 0.941 908 K CB 0.744 33.203 32.500 -0.069 0.000 0.966 908 K HN -0.277 nan 8.250 nan 0.000 0.480 909 D N 2.144 122.508 120.400 -0.061 0.000 2.190 909 D HA -0.164 4.477 4.640 0.001 0.000 0.200 909 D C 1.600 177.868 176.300 -0.055 0.000 0.992 909 D CA 1.640 55.609 54.000 -0.051 0.000 0.854 909 D CB 0.010 40.792 40.800 -0.030 0.000 0.936 909 D HN 0.557 nan 8.370 nan 0.000 0.462 910 Q N -0.002 119.766 119.800 -0.053 0.000 2.297 910 Q HA 0.032 4.373 4.340 0.001 0.000 0.204 910 Q C 1.052 177.022 176.000 -0.050 0.000 0.962 910 Q CA 0.618 56.398 55.803 -0.039 0.000 0.879 910 Q CB 0.088 28.812 28.738 -0.023 0.000 0.947 910 Q HN 0.187 nan 8.270 nan 0.000 0.462 911 N N -0.791 117.844 118.700 -0.107 0.000 2.230 911 N HA 0.063 4.804 4.740 0.001 0.000 0.202 911 N C 1.494 176.929 175.510 -0.124 0.000 1.119 911 N CA 0.595 53.559 53.050 -0.143 0.000 0.851 911 N CB 0.219 38.456 38.487 -0.417 0.000 0.990 911 N HN 0.271 nan 8.380 nan 0.000 0.497 912 R N 1.222 121.664 120.500 -0.098 0.000 2.083 912 R HA 0.064 4.405 4.340 0.001 0.000 0.237 912 R C 2.049 178.313 176.300 -0.061 0.000 1.137 912 R CA 1.764 57.813 56.100 -0.085 0.000 0.951 912 R CB -1.465 28.796 30.300 -0.065 0.000 0.851 912 R HN 0.272 nan 8.270 nan 0.000 0.434 913 A N 0.673 123.469 122.820 -0.041 0.000 2.209 913 A HA 0.020 4.341 4.320 0.001 0.000 0.212 913 A C 1.963 179.531 177.584 -0.027 0.000 1.158 913 A CA 1.240 53.257 52.037 -0.034 0.000 0.742 913 A CB -0.091 18.895 19.000 -0.023 0.000 0.790 913 A HN 0.622 nan 8.150 nan 0.000 0.472 914 K N 0.130 120.531 120.400 0.003 0.000 2.374 914 K HA 0.098 4.419 4.320 0.001 0.000 0.196 914 K C -0.567 176.063 176.600 0.050 0.000 1.023 914 K CA -0.061 56.253 56.287 0.046 0.000 1.103 914 K CB 0.258 32.861 32.500 0.172 0.000 0.848 914 K HN 0.275 nan 8.250 nan 0.000 0.528 915 N N 1.467 120.171 118.700 0.008 0.000 2.446 915 N HA 0.101 4.842 4.740 0.001 0.000 0.265 915 N C 0.218 175.682 175.510 -0.077 0.000 0.975 915 N CA -0.102 52.938 53.050 -0.017 0.000 0.928 915 N CB 1.801 40.261 38.487 -0.045 0.000 1.160 915 N HN 0.047 nan 8.380 nan 0.000 0.495 916 R N 2.329 122.772 120.500 -0.095 0.000 2.073 916 R HA -0.055 4.286 4.340 0.001 0.000 0.234 916 R C -0.345 175.711 176.300 -0.407 0.000 1.134 916 R CA 1.461 57.420 56.100 -0.234 0.000 0.952 916 R CB 0.159 30.335 30.300 -0.207 0.000 0.850 916 R HN 0.488 nan 8.270 nan 0.000 0.433 917 Y N -1.240 119.022 120.300 -0.063 0.000 2.328 917 Y HA 0.339 4.890 4.550 0.001 0.000 0.336 917 Y C 1.050 176.890 175.900 -0.100 0.000 0.960 917 Y CA -0.572 57.489 58.100 -0.064 0.000 1.134 917 Y CB 2.063 40.492 38.460 -0.052 0.000 1.166 917 Y HN 0.084 nan 8.280 nan 0.000 0.464 918 G N 1.915 110.724 108.800 0.015 0.000 2.498 918 G HA2 -0.218 3.742 3.960 0.001 0.000 0.219 918 G HA3 -0.218 3.742 3.960 0.001 0.000 0.219 918 G C 1.082 175.901 174.900 -0.134 0.000 1.119 918 G CA 0.710 45.762 45.100 -0.080 0.000 0.766 918 G HN 0.549 nan 8.290 nan 0.000 0.552 919 N N 0.089 118.764 118.700 -0.042 0.000 2.373 919 N HA 0.073 4.814 4.740 0.001 0.000 0.181 919 N C 0.246 175.712 175.510 -0.074 0.000 1.082 919 N CA 0.263 53.293 53.050 -0.034 0.000 0.885 919 N CB 0.803 39.327 38.487 0.062 0.000 0.977 919 N HN 0.174 nan 8.380 nan 0.000 0.462 920 I N 3.124 123.643 120.570 -0.086 0.000 2.557 920 I HA 0.345 4.516 4.170 0.001 0.000 0.277 920 I C -0.003 176.029 176.117 -0.140 0.000 1.106 920 I CA -0.423 60.830 61.300 -0.078 0.000 1.180 920 I CB -0.010 37.963 38.000 -0.045 0.000 1.392 920 I HN -0.088 nan 8.210 nan 0.000 0.506 921 I N 0.698 121.090 120.570 -0.296 0.000 3.042 921 I HA 0.907 5.078 4.170 0.001 0.000 0.310 921 I C -0.074 175.972 176.117 -0.119 0.000 1.117 921 I CA -1.093 60.048 61.300 -0.264 0.000 1.003 921 I CB 2.365 40.073 38.000 -0.487 0.000 1.228 921 I HN 0.288 nan 8.210 nan 0.000 0.443 922 A N 2.932 125.779 122.820 0.045 0.000 2.362 922 A HA 0.502 4.823 4.320 0.001 0.000 0.276 922 A C -0.862 176.884 177.584 0.269 0.000 1.153 922 A CA -0.163 51.921 52.037 0.079 0.000 0.813 922 A CB -0.208 18.828 19.000 0.061 0.000 1.081 922 A HN 0.523 nan 8.150 nan 0.000 0.507 923 Y N 1.666 122.124 120.300 0.263 0.000 2.578 923 Y HA -0.016 4.535 4.550 0.001 0.000 0.339 923 Y C 1.486 177.470 175.900 0.139 0.000 1.231 923 Y CA -0.232 58.013 58.100 0.241 0.000 1.461 923 Y CB 0.285 38.823 38.460 0.131 0.000 1.323 923 Y HN 0.789 nan 8.280 nan 0.000 0.590 924 D N 0.627 121.250 120.400 0.372 0.000 2.092 924 D HA -0.228 4.413 4.640 0.001 0.000 0.193 924 D C 2.066 178.473 176.300 0.178 0.000 0.994 924 D CA 2.074 56.221 54.000 0.245 0.000 0.828 924 D CB -0.366 40.562 40.800 0.215 0.000 0.963 924 D HN 0.817 nan 8.370 nan 0.000 0.450 925 H N 0.357 119.514 119.070 0.145 0.000 2.489 925 H HA 0.013 4.569 4.556 0.001 0.000 0.293 925 H C 1.254 176.669 175.328 0.146 0.000 1.066 925 H CA 1.640 57.752 56.048 0.106 0.000 1.305 925 H CB -0.086 29.702 29.762 0.043 0.000 1.386 925 H HN 0.161 nan 8.280 nan 0.000 0.551 926 S N 0.277 115.751 115.700 -0.377 0.000 2.701 926 S HA 0.155 4.626 4.470 0.001 0.000 0.242 926 S C 0.808 175.415 174.600 0.012 0.000 1.025 926 S CA -0.913 57.188 58.200 -0.165 0.000 1.016 926 S CB 0.335 63.340 63.200 -0.326 0.000 0.977 926 S HN 0.547 nan 8.310 nan 0.000 0.546 927 R N 0.798 121.305 120.500 0.012 0.000 2.582 927 R HA 0.549 4.889 4.340 0.001 0.000 0.271 927 R C -0.798 175.442 176.300 -0.100 0.000 1.078 927 R CA -0.621 55.451 56.100 -0.047 0.000 1.127 927 R CB 0.393 30.712 30.300 0.032 0.000 1.038 927 R HN 0.024 nan 8.270 nan 0.000 0.500 928 V N 4.572 124.288 119.914 -0.330 0.000 2.415 928 V HA 0.135 4.256 4.120 0.001 0.000 0.267 928 V C 0.581 176.586 176.094 -0.147 0.000 1.042 928 V CA -0.138 61.939 62.300 -0.371 0.000 1.000 928 V CB 0.183 31.674 31.823 -0.555 0.000 1.015 928 V HN 0.588 nan 8.190 nan 0.000 0.478 929 I N 6.505 127.075 120.570 -0.000 0.000 2.312 929 I HA 0.300 4.471 4.170 0.001 0.000 0.291 929 I C -0.008 176.116 176.117 0.012 0.000 1.031 929 I CA -0.214 61.101 61.300 0.025 0.000 1.293 929 I CB 0.854 38.900 38.000 0.076 0.000 1.403 929 I HN 0.383 nan 8.210 nan 0.000 0.484 930 L N 5.902 127.118 121.223 -0.012 0.000 2.326 930 L HA 0.320 4.661 4.340 0.001 0.000 0.278 930 L C 0.908 177.799 176.870 0.035 0.000 1.092 930 L CA -0.407 54.430 54.840 -0.004 0.000 0.810 930 L CB 0.748 42.783 42.059 -0.039 0.000 1.153 930 L HN 0.710 nan 8.230 nan 0.000 0.439 931 Q N 4.137 123.967 119.800 0.051 0.000 2.286 931 Q HA 0.244 4.585 4.340 0.001 0.000 0.290 931 Q C -2.329 173.711 176.000 0.065 0.000 1.049 931 Q CA -1.303 54.539 55.803 0.064 0.000 0.923 931 Q CB -1.127 27.659 28.738 0.080 0.000 1.183 931 Q HN 0.395 nan 8.270 nan 0.000 0.383 932 P HA 0.470 nan 4.420 nan 0.000 0.267 932 P C -0.414 176.933 177.300 0.078 0.000 1.200 932 P CA 0.416 63.556 63.100 0.068 0.000 0.772 932 P CB 0.431 32.167 31.700 0.060 0.000 0.855 937 P HA -0.048 nan 4.420 nan 0.000 0.220 937 P C 0.940 178.269 177.300 0.047 0.000 1.148 937 P CA 0.506 63.630 63.100 0.040 0.000 0.803 937 P CB 0.375 32.093 31.700 0.031 0.000 0.782 938 S N -0.034 115.693 115.700 0.044 0.000 2.603 938 S HA -0.003 4.467 4.470 0.001 0.000 0.220 938 S C 1.510 176.157 174.600 0.079 0.000 0.967 938 S CA 0.631 58.862 58.200 0.051 0.000 0.920 938 S CB -0.711 62.507 63.200 0.030 0.000 0.773 938 S HN 0.332 nan 8.310 nan 0.000 0.529 939 S N 1.711 117.457 115.700 0.076 0.000 2.754 939 S HA -0.005 4.466 4.470 0.001 0.000 0.223 939 S C 0.996 175.643 174.600 0.079 0.000 0.951 939 S CA -0.029 58.222 58.200 0.085 0.000 0.954 939 S CB -0.246 63.008 63.200 0.089 0.000 0.780 939 S HN 0.595 nan 8.310 nan 0.000 0.509 940 D N -0.158 120.297 120.400 0.092 0.000 2.339 940 D HA -0.025 4.616 4.640 0.001 0.000 0.217 940 D C 0.018 176.373 176.300 0.092 0.000 1.050 940 D CA -0.317 53.732 54.000 0.081 0.000 0.856 940 D CB -0.282 40.570 40.800 0.087 0.000 0.922 940 D HN 0.546 nan 8.370 nan 0.000 0.518 941 Y N 0.800 121.091 120.300 -0.014 0.000 2.341 941 Y HA 0.545 5.096 4.550 0.001 0.000 0.337 941 Y C -1.021 174.844 175.900 -0.058 0.000 1.014 941 Y CA -1.236 56.845 58.100 -0.031 0.000 1.111 941 Y CB 1.013 39.458 38.460 -0.025 0.000 1.194 941 Y HN -0.099 nan 8.280 nan 0.000 0.462 942 I N 5.545 125.524 120.570 -0.984 0.000 2.722 942 I HA 0.306 4.477 4.170 0.001 0.000 0.295 942 I C -1.193 174.246 176.117 -1.131 0.000 1.161 942 I CA -0.933 59.851 61.300 -0.861 0.000 1.032 942 I CB 1.706 39.437 38.000 -0.448 0.000 1.244 942 I HN 0.678 nan 8.210 nan 0.000 0.421 943 N N 5.977 124.239 118.700 -0.730 0.000 2.671 943 N HA 0.514 5.255 4.740 0.001 0.000 0.274 943 N C -1.212 174.130 175.510 -0.279 0.000 1.188 943 N CA 0.224 53.047 53.050 -0.378 0.000 1.065 943 N CB 0.005 38.420 38.487 -0.119 0.000 1.415 943 N HN 0.658 nan 8.380 nan 0.000 0.511 944 A N 2.730 125.367 122.820 -0.306 0.000 2.566 944 A HA 0.623 4.944 4.320 0.001 0.000 0.297 944 A C -1.255 176.164 177.584 -0.275 0.000 1.059 944 A CA -0.945 50.926 52.037 -0.276 0.000 0.691 944 A CB 0.979 19.775 19.000 -0.340 0.000 1.282 944 A HN 0.596 nan 8.150 nan 0.000 0.401 945 N N -0.032 118.528 118.700 -0.233 0.000 2.235 945 N HA 0.589 5.330 4.740 0.001 0.000 0.293 945 N C -1.593 173.813 175.510 -0.174 0.000 1.083 945 N CA -0.466 52.465 53.050 -0.198 0.000 0.801 945 N CB 1.141 39.577 38.487 -0.085 0.000 1.559 945 N HN 0.556 nan 8.380 nan 0.000 0.472 946 Y N 0.982 121.273 120.300 -0.015 0.000 2.425 946 Y HA 0.371 4.921 4.550 0.001 0.000 0.331 946 Y C 0.239 176.176 175.900 0.061 0.000 1.157 946 Y CA 0.096 58.208 58.100 0.021 0.000 1.372 946 Y CB 0.370 38.837 38.460 0.012 0.000 1.253 946 Y HN 0.258 nan 8.280 nan 0.000 0.536 947 I N 3.351 124.093 120.570 0.287 0.000 2.533 947 I HA 0.213 4.383 4.170 0.001 0.000 0.290 947 I C -0.858 175.455 176.117 0.328 0.000 1.056 947 I CA -1.112 60.344 61.300 0.260 0.000 1.057 947 I CB 1.740 39.865 38.000 0.208 0.000 1.240 947 I HN 0.482 nan 8.210 nan 0.000 0.423 948 D N 4.029 124.575 120.400 0.244 0.000 2.399 948 D HA 0.335 4.976 4.640 0.001 0.000 0.241 948 D C 0.359 176.858 176.300 0.331 0.000 1.133 948 D CA 0.314 54.442 54.000 0.214 0.000 0.890 948 D CB 1.348 42.221 40.800 0.123 0.000 1.201 948 D HN 0.678 nan 8.370 nan 0.000 0.432 949 G N -0.028 108.932 108.800 0.268 0.000 2.613 949 G HA2 0.251 4.212 3.960 0.001 0.000 0.303 949 G HA3 0.251 4.212 3.960 0.001 0.000 0.303 949 G C -1.023 173.960 174.900 0.139 0.000 1.312 949 G CA -0.613 44.665 45.100 0.298 0.000 1.036 949 G HN 0.418 nan 8.290 nan 0.000 0.513 950 Y N 0.932 121.235 120.300 0.006 0.000 2.650 950 Y HA 0.142 4.693 4.550 0.001 0.000 0.342 950 Y C 1.339 177.191 175.900 -0.080 0.000 1.110 950 Y CA 0.667 58.749 58.100 -0.029 0.000 1.438 950 Y CB -0.216 38.224 38.460 -0.033 0.000 1.181 950 Y HN 0.742 nan 8.280 nan 0.000 0.526 951 Q N 3.589 123.074 119.800 -0.524 0.000 2.461 951 Q HA -0.309 4.031 4.340 0.001 0.000 0.273 951 Q C -0.669 175.191 176.000 -0.234 0.000 1.163 951 Q CA 1.168 56.721 55.803 -0.415 0.000 0.929 951 Q CB -1.123 27.287 28.738 -0.546 0.000 1.334 951 Q HN 0.751 nan 8.270 nan 0.000 0.499 952 R N -0.034 120.361 120.500 -0.176 0.000 2.680 952 R HA 0.302 4.643 4.340 0.001 0.000 0.278 952 R C -2.752 173.514 176.300 -0.058 0.000 1.582 952 R CA -1.792 54.213 56.100 -0.158 0.000 1.177 952 R CB 1.350 31.439 30.300 -0.352 0.000 1.232 952 R HN -0.083 nan 8.270 nan 0.000 0.528 953 P HA 0.026 nan 4.420 nan 0.000 0.268 953 P C -0.336 176.962 177.300 -0.005 0.000 1.204 953 P CA 0.159 63.247 63.100 -0.021 0.000 0.768 953 P CB 0.948 32.619 31.700 -0.048 0.000 0.842 954 S N 0.288 116.007 115.700 0.031 0.000 3.559 954 S HA -0.237 4.233 4.470 0.001 0.000 0.369 954 S C 1.021 175.673 174.600 0.087 0.000 0.987 954 S CA 0.923 59.158 58.200 0.059 0.000 1.187 954 S CB -2.038 61.067 63.200 -0.159 0.000 0.914 954 S HN 0.734 nan 8.310 nan 0.000 0.480 955 H N -0.294 118.735 119.070 -0.068 0.000 2.428 955 H HA 0.200 4.757 4.556 0.001 0.000 0.296 955 H C 0.356 175.447 175.328 -0.394 0.000 1.062 955 H CA 1.673 57.546 56.048 -0.292 0.000 1.350 955 H CB 0.199 29.668 29.762 -0.488 0.000 1.403 955 H HN 0.683 nan 8.280 nan 0.000 0.533 956 Y N -0.996 119.335 120.300 0.052 0.000 2.549 956 Y HA 0.444 4.995 4.550 0.001 0.000 0.339 956 Y C -0.445 175.481 175.900 0.043 0.000 1.053 956 Y CA -1.275 56.825 58.100 -0.001 0.000 1.105 956 Y CB 1.607 40.101 38.460 0.057 0.000 1.258 956 Y HN -0.200 nan 8.280 nan 0.000 0.478 957 I N 2.074 122.723 120.570 0.133 0.000 2.389 957 I HA 0.547 4.718 4.170 0.001 0.000 0.288 957 I C -0.535 175.584 176.117 0.003 0.000 0.999 957 I CA -0.808 60.482 61.300 -0.016 0.000 1.129 957 I CB 1.424 39.322 38.000 -0.171 0.000 1.288 957 I HN 0.737 nan 8.210 nan 0.000 0.444 958 A N 4.765 127.575 122.820 -0.016 0.000 2.276 958 A HA 0.712 5.033 4.320 0.001 0.000 0.300 958 A C -0.143 177.402 177.584 -0.064 0.000 1.235 958 A CA -0.164 51.860 52.037 -0.021 0.000 0.867 958 A CB 0.860 19.848 19.000 -0.020 0.000 1.137 958 A HN 0.636 nan 8.150 nan 0.000 0.527 959 T N 1.137 115.672 114.554 -0.033 0.000 2.864 959 T HA 0.480 4.831 4.350 0.001 0.000 0.299 959 T C -0.331 174.358 174.700 -0.019 0.000 1.166 959 T CA -0.569 61.493 62.100 -0.062 0.000 1.007 959 T CB 1.151 69.963 68.868 -0.095 0.000 1.219 959 T HN 0.891 nan 8.240 nan 0.000 0.506 960 Q N 1.280 121.043 119.800 -0.061 0.000 2.443 960 Q HA 0.502 4.843 4.340 0.001 0.000 0.232 960 Q C 0.540 176.452 176.000 -0.148 0.000 1.026 960 Q CA -0.633 55.144 55.803 -0.043 0.000 0.924 960 Q CB 0.104 28.820 28.738 -0.037 0.000 1.256 960 Q HN 0.747 nan 8.270 nan 0.000 0.519 961 G N 2.212 110.957 108.800 -0.092 0.000 2.334 961 G HA2 0.286 4.246 3.960 0.001 0.000 0.261 961 G HA3 0.286 4.246 3.960 0.001 0.000 0.261 961 G C -2.360 172.356 174.900 -0.307 0.000 1.257 961 G CA -0.984 43.960 45.100 -0.260 0.000 0.935 961 G HN 0.486 nan 8.290 nan 0.000 0.480 962 P HA 0.102 nan 4.420 nan 0.000 0.266 962 P C 0.566 177.748 177.300 -0.198 0.000 1.193 962 P CA -0.187 62.657 63.100 -0.427 0.000 0.770 962 P CB 0.827 32.097 31.700 -0.717 0.000 0.836 963 V N 0.483 120.282 119.914 -0.192 0.000 3.109 963 V HA 0.306 4.427 4.120 0.001 0.000 0.317 963 V C 1.690 177.573 176.094 -0.352 0.000 1.074 963 V CA -0.203 62.012 62.300 -0.142 0.000 1.033 963 V CB 0.736 32.497 31.823 -0.103 0.000 1.111 963 V HN 0.533 nan 8.190 nan 0.000 0.458 964 H N 1.258 120.011 119.070 -0.529 0.000 2.357 964 H HA -0.165 4.391 4.556 0.001 0.000 0.296 964 H C 1.700 176.769 175.328 -0.432 0.000 1.108 964 H CA 2.801 58.331 56.048 -0.864 0.000 1.273 964 H CB 0.051 29.592 29.762 -0.367 0.000 1.367 964 H HN 0.873 nan 8.280 nan 0.000 0.498 965 E N -1.052 118.965 120.200 -0.306 0.000 2.482 965 E HA -0.009 4.342 4.350 0.001 0.000 0.196 965 E C 1.546 178.039 176.600 -0.177 0.000 1.047 965 E CA 1.131 57.391 56.400 -0.234 0.000 0.869 965 E CB 0.160 29.806 29.700 -0.090 0.000 0.836 965 E HN 0.722 nan 8.360 nan 0.000 0.520 966 T N -4.099 110.328 114.554 -0.212 0.000 3.043 966 T HA 0.169 4.520 4.350 0.001 0.000 0.272 966 T C 1.614 176.206 174.700 -0.180 0.000 0.990 966 T CA -0.164 61.843 62.100 -0.155 0.000 0.897 966 T CB -0.082 68.694 68.868 -0.154 0.000 1.111 966 T HN -0.068 nan 8.240 nan 0.000 0.529 967 V N 1.106 120.871 119.914 -0.249 0.000 2.332 967 V HA -0.163 3.958 4.120 0.001 0.000 0.248 967 V C 2.186 178.269 176.094 -0.018 0.000 1.055 967 V CA 2.106 64.267 62.300 -0.230 0.000 1.038 967 V CB -0.909 30.753 31.823 -0.268 0.000 0.651 967 V HN 0.660 nan 8.190 nan 0.000 0.450 968 Y N 1.461 121.745 120.300 -0.025 0.000 2.200 968 Y HA -0.212 4.339 4.550 0.001 0.000 0.290 968 Y C 2.348 178.292 175.900 0.074 0.000 1.137 968 Y CA 1.885 60.060 58.100 0.124 0.000 1.163 968 Y CB -0.455 38.078 38.460 0.122 0.000 0.988 968 Y HN 0.333 nan 8.280 nan 0.000 0.518 969 D N -0.220 120.091 120.400 -0.147 0.000 2.144 969 D HA -0.215 4.426 4.640 0.001 0.000 0.199 969 D C 2.057 178.182 176.300 -0.292 0.000 0.984 969 D CA 1.380 55.233 54.000 -0.245 0.000 0.834 969 D CB -0.815 39.906 40.800 -0.131 0.000 0.955 969 D HN 0.418 nan 8.370 nan 0.000 0.465 970 F N 0.304 119.983 119.950 -0.451 0.000 2.043 970 F HA -0.231 4.296 4.527 0.001 0.000 0.297 970 F C 2.060 177.453 175.800 -0.679 0.000 1.121 970 F CA 1.725 59.348 58.000 -0.628 0.000 1.199 970 F CB -0.606 37.885 39.000 -0.849 0.000 0.968 970 F HN -0.020 nan 8.300 nan 0.000 0.478 971 W N 0.579 121.624 121.300 -0.424 0.000 2.363 971 W HA -0.118 4.542 4.660 0.001 0.000 0.296 971 W C 2.673 178.636 176.519 -0.927 0.000 1.212 971 W CA 1.208 58.122 57.345 -0.717 0.000 1.260 971 W CB -0.483 28.512 29.460 -0.776 0.000 1.131 971 W HN -0.144 nan 8.180 nan 0.000 0.530 972 R N -0.067 120.090 120.500 -0.572 0.000 2.091 972 R HA -0.218 4.123 4.340 0.001 0.000 0.238 972 R C 2.189 178.383 176.300 -0.176 0.000 1.136 972 R CA 1.883 57.812 56.100 -0.285 0.000 0.959 972 R CB -0.834 29.296 30.300 -0.283 0.000 0.856 972 R HN 0.320 nan 8.270 nan 0.000 0.437 973 M N 0.583 119.994 119.600 -0.315 0.000 2.117 973 M HA -0.159 4.322 4.480 0.001 0.000 0.262 973 M C 2.034 178.157 176.300 -0.296 0.000 1.065 973 M CA 1.668 56.784 55.300 -0.307 0.000 1.114 973 M CB -0.012 32.328 32.600 -0.434 0.000 1.361 973 M HN 0.095 nan 8.290 nan 0.000 0.408 974 I N -0.682 119.638 120.570 -0.416 0.000 2.226 974 I HA -0.335 3.836 4.170 0.001 0.000 0.245 974 I C 2.375 178.444 176.117 -0.081 0.000 1.100 974 I CA 1.386 62.505 61.300 -0.301 0.000 1.374 974 I CB -0.685 37.114 38.000 -0.334 0.000 1.057 974 I HN 0.654 nan 8.210 nan 0.000 0.413 975 W N 1.890 123.082 121.300 -0.179 0.000 2.378 975 W HA -0.247 4.414 4.660 0.002 0.000 0.313 975 W C 2.518 179.013 176.519 -0.040 0.000 1.197 975 W CA 1.781 59.097 57.345 -0.048 0.000 1.304 975 W CB -0.460 29.052 29.460 0.088 0.000 1.148 975 W HN 0.236 nan 8.180 nan 0.000 0.494 976 Q N 0.129 120.039 119.800 0.183 0.000 2.077 976 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 976 Q C 1.754 177.748 176.000 -0.011 0.000 0.989 976 Q CA 1.995 57.855 55.803 0.095 0.000 0.853 976 Q CB -0.218 28.567 28.738 0.078 0.000 0.907 976 Q HN 0.123 nan 8.270 nan 0.000 0.418 977 E N 0.125 120.297 120.200 -0.047 0.000 2.478 977 E HA -0.058 4.293 4.350 0.001 0.000 0.194 977 E C -0.119 176.434 176.600 -0.078 0.000 1.045 977 E CA 0.260 56.635 56.400 -0.042 0.000 0.868 977 E CB 0.255 29.929 29.700 -0.042 0.000 0.885 977 E HN 0.423 nan 8.360 nan 0.000 0.505 978 Q N 0.438 120.157 119.800 -0.135 0.000 2.468 978 Q HA -0.135 4.206 4.340 0.001 0.000 0.289 978 Q C -0.642 175.292 176.000 -0.109 0.000 1.299 978 Q CA 0.351 56.057 55.803 -0.162 0.000 0.838 978 Q CB -2.189 26.459 28.738 -0.151 0.000 1.195 978 Q HN 0.032 nan 8.270 nan 0.000 0.456 979 S N -0.438 115.200 115.700 -0.104 0.000 2.549 979 S HA 0.354 4.825 4.470 0.001 0.000 0.283 979 S C 1.165 175.745 174.600 -0.034 0.000 1.320 979 S CA 0.135 58.286 58.200 -0.081 0.000 1.058 979 S CB 1.508 64.636 63.200 -0.120 0.000 0.882 979 S HN 0.505 nan 8.310 nan 0.000 0.498 980 A N 1.751 124.568 122.820 -0.005 0.000 2.063 980 A HA 0.286 4.607 4.320 0.001 0.000 0.211 980 A C 0.637 178.292 177.584 0.118 0.000 1.177 980 A CA 0.194 52.261 52.037 0.050 0.000 0.759 980 A CB 0.041 19.067 19.000 0.043 0.000 0.857 980 A HN 0.734 nan 8.150 nan 0.000 0.468 981 C N -0.039 119.325 119.300 0.107 0.000 2.498 981 C HA 0.706 5.167 4.460 0.001 0.000 0.316 981 C C -0.346 174.728 174.990 0.140 0.000 1.209 981 C CA -0.811 58.334 59.018 0.212 0.000 1.518 981 C CB 0.686 28.539 27.740 0.187 0.000 2.147 981 C HN 0.448 nan 8.230 nan 0.000 0.483 982 I N 2.548 123.246 120.570 0.214 0.000 2.404 982 I HA 0.494 4.665 4.170 0.001 0.000 0.293 982 I C -0.610 175.635 176.117 0.213 0.000 0.992 982 I CA -0.454 60.950 61.300 0.173 0.000 1.149 982 I CB 1.585 39.717 38.000 0.220 0.000 1.315 982 I HN 0.265 nan 8.210 nan 0.000 0.446 983 V N 7.083 127.040 119.914 0.072 0.000 2.357 983 V HA 0.384 4.505 4.120 0.001 0.000 0.284 983 V C -0.165 175.844 176.094 -0.142 0.000 1.018 983 V CA -0.481 61.819 62.300 -0.001 0.000 0.841 983 V CB 1.574 33.175 31.823 -0.371 0.000 0.991 983 V HN 0.698 nan 8.190 nan 0.000 0.437 984 M N 6.855 126.402 119.600 -0.088 0.000 2.114 984 M HA 0.484 4.965 4.480 0.001 0.000 0.332 984 M C -0.279 175.953 176.300 -0.114 0.000 1.014 984 M CA -0.583 54.470 55.300 -0.411 0.000 0.956 984 M CB 1.345 33.695 32.600 -0.418 0.000 1.551 984 M HN 0.501 nan 8.290 nan 0.000 0.427 985 V N 1.413 121.210 119.914 -0.195 0.000 2.843 985 V HA 0.472 4.593 4.120 0.001 0.000 0.366 985 V C -0.226 175.825 176.094 -0.071 0.000 1.283 985 V CA -0.229 62.035 62.300 -0.060 0.000 1.303 985 V CB -0.351 31.389 31.823 -0.137 0.000 1.418 985 V HN 0.884 nan 8.190 nan 0.000 0.598 986 T N 0.548 115.116 114.554 0.023 0.000 2.868 986 T HA 0.501 4.852 4.350 0.001 0.000 0.306 986 T C -0.756 174.071 174.700 0.212 0.000 1.224 986 T CA -0.431 61.701 62.100 0.052 0.000 1.012 986 T CB 2.065 70.945 68.868 0.020 0.000 1.221 986 T HN 0.542 nan 8.240 nan 0.000 0.499 987 N N 1.290 120.097 118.700 0.179 0.000 2.463 987 N HA 0.445 5.186 4.740 0.001 0.000 0.270 987 N C 1.397 177.011 175.510 0.173 0.000 1.205 987 N CA -0.601 52.588 53.050 0.231 0.000 0.974 987 N CB 0.887 39.449 38.487 0.124 0.000 1.197 987 N HN 0.465 nan 8.380 nan 0.000 0.504 988 L N 0.271 121.602 121.223 0.179 0.000 2.046 988 L HA 0.002 4.343 4.340 0.001 0.000 0.208 988 L C 0.065 176.968 176.870 0.053 0.000 1.077 988 L CA 0.851 55.752 54.840 0.101 0.000 0.747 988 L CB -0.002 42.085 42.059 0.046 0.000 0.896 988 L HN 0.286 nan 8.230 nan 0.000 0.432 989 V N -0.250 119.691 119.914 0.044 0.000 2.588 989 V HA 0.317 4.438 4.120 0.001 0.000 0.304 989 V C -0.779 175.327 176.094 0.021 0.000 1.042 989 V CA -0.729 61.584 62.300 0.022 0.000 0.877 989 V CB 1.893 33.718 31.823 0.003 0.000 0.996 989 V HN 0.121 nan 8.190 nan 0.000 0.425 990 E N 3.784 123.992 120.200 0.014 0.000 2.241 990 E HA 0.720 5.071 4.350 0.001 0.000 0.263 990 E C 0.328 176.927 176.600 -0.001 0.000 0.882 990 E CA -0.005 56.389 56.400 -0.010 0.000 0.769 990 E CB 2.071 31.753 29.700 -0.031 0.000 1.185 990 E HN 0.919 nan 8.360 nan 0.000 0.415 991 V N 2.393 122.307 119.914 -0.000 0.000 0.690 991 V HA -0.367 3.754 4.120 0.001 0.000 0.092 991 V C 1.043 177.152 176.094 0.024 0.000 0.786 991 V CA 1.931 64.251 62.300 0.034 0.000 3.100 991 V CB -1.437 30.429 31.823 0.073 0.000 0.193 991 V HN 0.812 nan 8.190 nan 0.000 0.095 992 G N 1.149 109.966 108.800 0.029 0.000 3.575 992 G HA2 0.521 4.482 3.960 0.001 0.000 0.273 992 G HA3 0.521 4.482 3.960 0.001 0.000 0.273 992 G C 0.453 175.363 174.900 0.016 0.000 1.053 992 G CA 0.516 45.626 45.100 0.017 0.000 0.803 992 G HN 0.916 nan 8.290 nan 0.000 0.528 993 R N 0.694 121.209 120.500 0.025 0.000 2.265 993 R HA 0.331 4.672 4.340 0.001 0.000 0.319 993 R C -0.760 175.553 176.300 0.022 0.000 1.006 993 R CA -0.528 55.589 56.100 0.027 0.000 0.880 993 R CB 2.369 32.698 30.300 0.047 0.000 1.077 993 R HN -0.036 nan 8.270 nan 0.000 0.454 994 V N 5.489 125.410 119.914 0.011 0.000 2.397 994 V HA 0.012 4.133 4.120 0.001 0.000 0.262 994 V C 1.134 177.243 176.094 0.025 0.000 1.047 994 V CA 0.145 62.451 62.300 0.009 0.000 1.003 994 V CB 0.624 32.445 31.823 -0.003 0.000 1.037 994 V HN 0.610 nan 8.190 nan 0.000 0.480 995 K N 2.314 122.743 120.400 0.048 0.000 2.314 995 K HA 0.184 4.505 4.320 0.001 0.000 0.198 995 K C 0.310 176.963 176.600 0.087 0.000 1.045 995 K CA 0.521 56.857 56.287 0.081 0.000 0.988 995 K CB 0.140 32.691 32.500 0.085 0.000 0.783 995 K HN 0.632 nan 8.250 nan 0.000 0.484 996 C N 0.016 119.364 119.300 0.079 0.000 3.113 996 C HA 0.362 4.823 4.460 0.001 0.000 0.376 996 C C -1.120 173.928 174.990 0.097 0.000 1.077 996 C CA -1.421 57.658 59.018 0.101 0.000 1.253 996 C CB 0.177 28.023 27.740 0.177 0.000 1.637 996 C HN 0.486 nan 8.230 nan 0.000 0.535 997 Y N 3.518 123.805 120.300 -0.022 0.000 2.397 997 Y HA 0.301 4.852 4.550 0.001 0.000 0.335 997 Y C 0.768 176.609 175.900 -0.097 0.000 1.213 997 Y CA 0.598 58.674 58.100 -0.041 0.000 1.391 997 Y CB 0.622 39.070 38.460 -0.020 0.000 1.293 997 Y HN 0.708 nan 8.280 nan 0.000 0.557 998 K N 6.419 126.451 120.400 -0.613 0.000 2.127 998 K HA 0.013 4.333 4.320 0.001 0.000 0.261 998 K C -0.445 175.848 176.600 -0.512 0.000 1.129 998 K CA -0.259 55.525 56.287 -0.838 0.000 0.993 998 K CB -0.391 31.540 32.500 -0.949 0.000 1.410 998 K HN 0.810 nan 8.250 nan 0.000 0.380 999 Y N 1.441 121.704 120.300 -0.062 0.000 2.529 999 Y HA 0.153 4.704 4.550 0.001 0.000 0.290 999 Y C -0.418 175.678 175.900 0.327 0.000 1.177 999 Y CA -1.208 56.972 58.100 0.135 0.000 1.305 999 Y CB -0.603 37.739 38.460 -0.196 0.000 1.047 999 Y HN 0.367 nan 8.280 nan 0.000 0.522 1000 W N 0.679 121.954 121.300 -0.042 0.000 2.864 1000 W HA 0.819 5.480 4.660 0.002 0.000 0.343 1000 W C -3.192 173.443 176.519 0.193 0.000 1.109 1000 W CA -3.119 54.288 57.345 0.104 0.000 1.192 1000 W CB 0.948 30.327 29.460 -0.136 0.000 1.426 1000 W HN -0.309 nan 8.180 nan 0.000 0.529 1001 P HA 0.157 nan 4.420 nan 0.000 0.284 1001 P C -0.024 177.518 177.300 0.404 0.000 1.258 1001 P CA -0.079 63.175 63.100 0.257 0.000 0.824 1001 P CB 1.973 33.820 31.700 0.245 0.000 1.038 1002 D N 0.028 120.556 120.400 0.212 0.000 2.183 1002 D HA -0.112 4.529 4.640 0.001 0.000 0.203 1002 D C 0.964 177.378 176.300 0.190 0.000 0.969 1002 D CA 1.514 55.651 54.000 0.228 0.000 0.842 1002 D CB 0.096 40.966 40.800 0.117 0.000 0.957 1002 D HN 0.450 nan 8.370 nan 0.000 0.484 1003 D N -1.354 119.138 120.400 0.152 0.000 3.040 1003 D HA 0.100 4.741 4.640 0.001 0.000 0.221 1003 D C -0.417 175.964 176.300 0.134 0.000 1.515 1003 D CA 0.604 54.672 54.000 0.114 0.000 1.379 1003 D CB 0.718 41.556 40.800 0.064 0.000 0.992 1003 D HN -0.077 nan 8.370 nan 0.000 0.234 1004 T N -0.075 114.532 114.554 0.088 0.000 2.916 1004 T HA 0.621 4.972 4.350 0.001 0.000 0.305 1004 T C -1.301 173.400 174.700 0.002 0.000 1.119 1004 T CA -0.591 61.547 62.100 0.064 0.000 1.008 1004 T CB 2.754 71.642 68.868 0.033 0.000 1.129 1004 T HN 0.131 nan 8.240 nan 0.000 0.480 1005 E N 0.719 120.884 120.200 -0.057 0.000 2.412 1005 E HA 0.668 5.019 4.350 0.001 0.000 0.279 1005 E C -1.901 174.476 176.600 -0.373 0.000 0.984 1005 E CA -0.650 55.610 56.400 -0.233 0.000 0.788 1005 E CB 1.848 31.373 29.700 -0.292 0.000 1.277 1005 E HN 0.381 nan 8.360 nan 0.000 0.455 1006 V N 3.262 122.892 119.914 -0.473 0.000 2.495 1006 V HA 0.509 4.630 4.120 0.001 0.000 0.298 1006 V C -1.221 174.553 176.094 -0.534 0.000 1.031 1006 V CA -0.606 61.470 62.300 -0.373 0.000 0.871 1006 V CB 1.180 32.901 31.823 -0.170 0.000 0.988 1006 V HN 0.587 nan 8.190 nan 0.000 0.432 1007 Y N 3.056 123.418 120.300 0.103 0.000 2.363 1007 Y HA 0.650 5.201 4.550 0.001 0.000 0.325 1007 Y C 1.031 177.080 175.900 0.249 0.000 0.984 1007 Y CA 0.136 58.352 58.100 0.194 0.000 1.248 1007 Y CB 1.524 40.179 38.460 0.324 0.000 1.116 1007 Y HN 0.926 nan 8.280 nan 0.000 0.470 1008 G N 2.800 111.642 108.800 0.069 0.000 2.634 1008 G HA2 -0.422 3.539 3.960 0.001 0.000 0.318 1008 G HA3 -0.422 3.539 3.960 0.001 0.000 0.318 1008 G C 0.628 175.487 174.900 -0.069 0.000 1.207 1008 G CA 0.937 45.918 45.100 -0.199 0.000 0.987 1008 G HN 0.769 nan 8.290 nan 0.000 0.547 1009 D N 0.693 121.058 120.400 -0.058 0.000 2.358 1009 D HA 0.378 5.019 4.640 0.001 0.000 0.224 1009 D C 0.160 176.203 176.300 -0.428 0.000 1.123 1009 D CA -0.138 53.720 54.000 -0.236 0.000 0.833 1009 D CB -0.271 40.350 40.800 -0.298 0.000 0.946 1009 D HN 0.224 nan 8.370 nan 0.000 0.505 1010 F N 0.936 120.903 119.950 0.029 0.000 2.443 1010 F HA 0.390 4.918 4.527 0.001 0.000 0.335 1010 F C 0.689 176.442 175.800 -0.079 0.000 1.104 1010 F CA -1.038 56.930 58.000 -0.054 0.000 1.013 1010 F CB 2.010 41.002 39.000 -0.012 0.000 1.136 1010 F HN -0.331 nan 8.300 nan 0.000 0.470 1011 K N 3.270 123.713 120.400 0.072 0.000 2.394 1011 K HA 0.669 4.990 4.320 0.001 0.000 0.260 1011 K C -1.735 174.862 176.600 -0.006 0.000 0.967 1011 K CA -0.470 55.818 56.287 0.002 0.000 0.855 1011 K CB 1.277 33.775 32.500 -0.003 0.000 1.101 1011 K HN 0.508 nan 8.250 nan 0.000 0.433 1012 V N 3.426 123.301 119.914 -0.065 0.000 2.417 1012 V HA 0.399 4.520 4.120 0.001 0.000 0.291 1012 V C -0.466 175.678 176.094 0.084 0.000 1.024 1012 V CA -0.632 61.615 62.300 -0.088 0.000 0.861 1012 V CB 1.732 33.356 31.823 -0.331 0.000 0.985 1012 V HN 0.822 nan 8.190 nan 0.000 0.436 1013 T N 3.235 117.904 114.554 0.193 0.000 2.841 1013 T HA 0.233 4.584 4.350 0.001 0.000 0.285 1013 T C -0.492 174.418 174.700 0.349 0.000 0.991 1013 T CA -0.309 61.924 62.100 0.222 0.000 0.966 1013 T CB 1.315 70.262 68.868 0.133 0.000 0.962 1013 T HN 0.777 nan 8.240 nan 0.000 0.438 1014 C N 4.819 124.322 119.300 0.338 0.000 2.464 1014 C HA 0.446 4.907 4.460 0.001 0.000 0.370 1014 C C 1.838 176.828 174.990 -0.000 0.000 1.267 1014 C CA -0.305 58.780 59.018 0.112 0.000 1.781 1014 C CB -1.733 26.090 27.740 0.138 0.000 2.431 1014 C HN 0.839 nan 8.230 nan 0.000 0.556 1015 V N 2.176 122.042 119.914 -0.080 0.000 3.621 1015 V HA 0.383 4.504 4.120 0.001 0.000 0.263 1015 V C 0.373 176.422 176.094 -0.074 0.000 1.272 1015 V CA 0.530 62.805 62.300 -0.042 0.000 1.080 1015 V CB -0.648 31.169 31.823 -0.009 0.000 0.816 1015 V HN 0.884 nan 8.190 nan 0.000 0.451 1016 E N 0.673 120.785 120.200 -0.146 0.000 2.363 1016 E HA 0.574 4.924 4.350 0.001 0.000 0.281 1016 E C -1.400 175.094 176.600 -0.176 0.000 0.953 1016 E CA -0.797 55.528 56.400 -0.125 0.000 0.778 1016 E CB 2.215 31.856 29.700 -0.100 0.000 1.220 1016 E HN 0.357 nan 8.360 nan 0.000 0.431 1017 M N 3.050 122.584 119.600 -0.111 0.000 2.259 1017 M HA 0.456 4.936 4.480 0.001 0.000 0.304 1017 M C -1.772 174.487 176.300 -0.069 0.000 1.019 1017 M CA -0.212 55.028 55.300 -0.100 0.000 0.922 1017 M CB 1.941 34.510 32.600 -0.051 0.000 1.600 1017 M HN 0.355 nan 8.290 nan 0.000 0.433 1018 E N 6.184 126.342 120.200 -0.070 0.000 2.255 1018 E HA 0.513 4.864 4.350 0.001 0.000 0.245 1018 E C -2.707 173.853 176.600 -0.067 0.000 0.909 1018 E CA -1.987 54.381 56.400 -0.054 0.000 0.747 1018 E CB 1.483 31.161 29.700 -0.037 0.000 1.215 1018 E HN 0.527 nan 8.360 nan 0.000 0.424 1019 P HA 0.254 nan 4.420 nan 0.000 0.297 1019 P C -0.826 176.373 177.300 -0.168 0.000 1.331 1019 P CA -0.420 62.614 63.100 -0.110 0.000 0.803 1019 P CB 1.151 32.805 31.700 -0.077 0.000 0.929 1020 L N 2.449 123.493 121.223 -0.297 0.000 2.492 1020 L HA 0.623 4.964 4.340 0.001 0.000 0.263 1020 L C 2.122 178.824 176.870 -0.281 0.000 1.062 1020 L CA -0.510 54.112 54.840 -0.362 0.000 0.817 1020 L CB -0.335 41.297 42.059 -0.712 0.000 1.441 1020 L HN 0.279 nan 8.230 nan 0.000 0.493 1021 A N -0.703 121.987 122.820 -0.216 0.000 1.877 1021 A HA -0.099 4.222 4.320 0.001 0.000 0.216 1021 A C 1.645 179.141 177.584 -0.147 0.000 1.186 1021 A CA 1.676 53.630 52.037 -0.137 0.000 0.620 1021 A CB -0.365 18.584 19.000 -0.085 0.000 0.822 1021 A HN 0.801 nan 8.150 nan 0.000 0.443 1022 E N -2.522 117.599 120.200 -0.131 0.000 2.583 1022 E HA 0.265 4.616 4.350 0.001 0.000 0.213 1022 E C -0.999 175.506 176.600 -0.160 0.000 0.989 1022 E CA -0.220 56.071 56.400 -0.183 0.000 0.991 1022 E CB 0.602 30.241 29.700 -0.101 0.000 1.040 1022 E HN 0.794 nan 8.360 nan 0.000 0.481 1023 Y N -3.611 116.627 120.300 -0.104 0.000 2.677 1023 Y HA 0.564 5.115 4.550 0.001 0.000 0.334 1023 Y C -1.326 174.598 175.900 0.039 0.000 1.196 1023 Y CA -1.441 56.654 58.100 -0.008 0.000 1.059 1023 Y CB 0.833 39.513 38.460 0.365 0.000 1.315 1023 Y HN -0.336 nan 8.280 nan 0.000 0.455 1024 V N 2.158 122.199 119.914 0.212 0.000 2.604 1024 V HA 0.625 4.746 4.120 0.001 0.000 0.305 1024 V C -0.833 175.384 176.094 0.205 0.000 1.043 1024 V CA -0.961 61.395 62.300 0.094 0.000 0.888 1024 V CB 1.692 33.522 31.823 0.011 0.000 0.995 1024 V HN 0.717 nan 8.190 nan 0.000 0.429 1025 V N 5.274 125.238 119.914 0.085 0.000 2.370 1025 V HA 0.521 4.642 4.120 0.001 0.000 0.283 1025 V C 0.075 176.050 176.094 -0.197 0.000 1.023 1025 V CA -0.651 61.594 62.300 -0.091 0.000 0.857 1025 V CB 1.307 33.089 31.823 -0.069 0.000 0.985 1025 V HN 0.799 nan 8.190 nan 0.000 0.443 1026 R N 2.734 123.053 120.500 -0.301 0.000 2.387 1026 R HA 0.604 4.945 4.340 0.001 0.000 0.314 1026 R C -0.629 175.331 176.300 -0.567 0.000 0.958 1026 R CA -0.507 55.327 56.100 -0.443 0.000 0.846 1026 R CB 1.905 31.919 30.300 -0.476 0.000 1.147 1026 R HN 0.641 nan 8.270 nan 0.000 0.447 1027 T N 3.976 118.189 114.554 -0.568 0.000 2.767 1027 T HA 0.474 4.825 4.350 0.001 0.000 0.284 1027 T C -0.588 173.802 174.700 -0.516 0.000 0.973 1027 T CA -0.278 61.591 62.100 -0.386 0.000 0.996 1027 T CB 0.415 69.169 68.868 -0.190 0.000 0.927 1027 T HN 0.221 nan 8.240 nan 0.000 0.456 1028 F N 1.344 121.332 119.950 0.064 0.000 2.538 1028 F HA 0.577 5.105 4.527 0.001 0.000 0.325 1028 F C 1.069 176.921 175.800 0.087 0.000 1.066 1028 F CA -1.113 56.945 58.000 0.096 0.000 0.946 1028 F CB 1.577 40.670 39.000 0.155 0.000 1.199 1028 F HN 0.477 nan 8.300 nan 0.000 0.473 1029 T N 0.368 115.084 114.554 0.271 0.000 2.907 1029 T HA 0.680 5.031 4.350 0.001 0.000 0.284 1029 T C -1.167 173.652 174.700 0.198 0.000 1.004 1029 T CA -0.660 61.562 62.100 0.205 0.000 1.063 1029 T CB 1.599 70.555 68.868 0.147 0.000 0.992 1029 T HN 0.498 nan 8.240 nan 0.000 0.483 1030 L N 1.791 123.142 121.223 0.213 0.000 2.372 1030 L HA 0.569 4.910 4.340 0.001 0.000 0.274 1030 L C -0.849 176.249 176.870 0.380 0.000 0.988 1030 L CA -0.409 54.574 54.840 0.239 0.000 0.833 1030 L CB 1.522 43.759 42.059 0.297 0.000 1.236 1030 L HN 0.864 nan 8.230 nan 0.000 0.410 1031 E N 4.226 124.585 120.200 0.266 0.000 2.212 1031 E HA 0.576 4.927 4.350 0.001 0.000 0.268 1031 E C -1.109 175.473 176.600 -0.032 0.000 0.902 1031 E CA -0.900 55.618 56.400 0.198 0.000 0.779 1031 E CB 2.487 32.256 29.700 0.115 0.000 1.172 1031 E HN 0.415 nan 8.360 nan 0.000 0.409 1032 R N 2.013 122.302 120.500 -0.351 0.000 2.437 1032 R HA 0.337 4.678 4.340 0.001 0.000 0.310 1032 R C -0.679 175.435 176.300 -0.310 0.000 0.955 1032 R CA -1.006 54.621 56.100 -0.788 0.000 0.851 1032 R CB 1.032 30.215 30.300 -1.862 0.000 1.161 1032 R HN 0.313 nan 8.270 nan 0.000 0.446 1033 R N 1.996 122.335 120.500 -0.268 0.000 2.502 1033 R HA 0.076 4.417 4.340 0.001 0.000 0.292 1033 R C 0.784 177.107 176.300 0.038 0.000 0.998 1033 R CA 2.086 58.130 56.100 -0.093 0.000 1.056 1033 R CB 0.257 30.489 30.300 -0.114 0.000 0.939 1033 R HN 0.940 nan 8.270 nan 0.000 0.411 1034 G N 2.405 111.222 108.800 0.030 0.000 2.157 1034 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 1034 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 1034 G C -0.597 174.204 174.900 -0.164 0.000 0.979 1034 G CA 0.159 45.223 45.100 -0.060 0.000 0.650 1034 G HN 0.561 nan 8.290 nan 0.000 0.529 1035 Y N -0.535 119.746 120.300 -0.031 0.000 2.361 1035 Y HA 0.540 5.091 4.550 0.001 0.000 0.337 1035 Y C 0.869 176.836 175.900 0.112 0.000 0.965 1035 Y CA -0.889 57.257 58.100 0.077 0.000 1.091 1035 Y CB 1.709 40.272 38.460 0.171 0.000 1.182 1035 Y HN -0.000 nan 8.280 nan 0.000 0.450 1036 N N 1.986 120.819 118.700 0.222 0.000 2.457 1036 N HA -0.113 4.627 4.740 0.001 0.000 0.180 1036 N C -0.045 175.581 175.510 0.193 0.000 1.050 1036 N CA 0.365 53.511 53.050 0.160 0.000 0.906 1036 N CB 0.281 38.827 38.487 0.099 0.000 0.968 1036 N HN 0.833 nan 8.380 nan 0.000 0.445 1037 E N 0.344 120.710 120.200 0.277 0.000 2.259 1037 E HA 0.210 4.561 4.350 0.001 0.000 0.281 1037 E C -0.553 176.216 176.600 0.281 0.000 1.027 1037 E CA -0.414 56.124 56.400 0.230 0.000 0.838 1037 E CB 1.042 30.850 29.700 0.180 0.000 1.066 1037 E HN 0.144 nan 8.360 nan 0.000 0.401 1038 I N 3.801 124.485 120.570 0.190 0.000 2.312 1038 I HA 0.303 4.474 4.170 0.001 0.000 0.290 1038 I C 0.451 176.654 176.117 0.144 0.000 1.008 1038 I CA -0.687 60.729 61.300 0.194 0.000 1.226 1038 I CB 0.917 39.002 38.000 0.143 0.000 1.371 1038 I HN 0.399 nan 8.210 nan 0.000 0.468 1039 R N 4.488 125.087 120.500 0.166 0.000 2.573 1039 R HA 0.440 4.781 4.340 0.001 0.000 0.272 1039 R C -0.374 176.000 176.300 0.122 0.000 1.009 1039 R CA -0.811 55.340 56.100 0.084 0.000 1.059 1039 R CB 1.854 32.148 30.300 -0.009 0.000 1.112 1039 R HN 0.576 nan 8.270 nan 0.000 0.517 1040 E N 1.501 121.757 120.200 0.094 0.000 2.204 1040 E HA 0.367 4.718 4.350 0.001 0.000 0.276 1040 E C -1.352 175.336 176.600 0.147 0.000 0.974 1040 E CA -0.704 55.770 56.400 0.123 0.000 0.815 1040 E CB 1.485 31.238 29.700 0.089 0.000 1.119 1040 E HN 0.200 nan 8.360 nan 0.000 0.393 1041 V N 4.326 124.375 119.914 0.225 0.000 2.638 1041 V HA 0.366 4.486 4.120 0.001 0.000 0.306 1041 V C -0.620 175.649 176.094 0.292 0.000 1.052 1041 V CA -0.926 61.535 62.300 0.267 0.000 0.885 1041 V CB 1.879 33.928 31.823 0.377 0.000 0.999 1041 V HN 0.665 nan 8.190 nan 0.000 0.424 1042 K N 3.358 123.868 120.400 0.183 0.000 2.274 1042 K HA 0.494 4.815 4.320 0.001 0.000 0.262 1042 K C -0.731 175.843 176.600 -0.044 0.000 0.961 1042 K CA -0.557 55.724 56.287 -0.009 0.000 0.833 1042 K CB 2.341 34.758 32.500 -0.138 0.000 1.102 1042 K HN 0.690 nan 8.250 nan 0.000 0.436 1043 Q N 3.914 123.654 119.800 -0.100 0.000 2.314 1043 Q HA 0.272 4.612 4.340 0.001 0.000 0.259 1043 Q C -1.413 174.416 176.000 -0.285 0.000 0.951 1043 Q CA -0.589 55.200 55.803 -0.023 0.000 0.909 1043 Q CB 0.659 29.476 28.738 0.133 0.000 1.236 1043 Q HN 0.433 nan 8.270 nan 0.000 0.444 1044 F N 3.435 123.456 119.950 0.119 0.000 2.332 1044 F HA 0.248 4.776 4.527 0.001 0.000 0.368 1044 F C 0.125 176.214 175.800 0.480 0.000 1.110 1044 F CA -0.615 57.510 58.000 0.208 0.000 1.087 1044 F CB 0.844 39.757 39.000 -0.146 0.000 1.235 1044 F HN 0.543 nan 8.300 nan 0.000 0.470 1045 H N 4.734 124.072 119.070 0.446 0.000 2.661 1045 H HA 0.244 4.800 4.556 0.001 0.000 0.290 1045 H C -1.104 174.391 175.328 0.278 0.000 1.082 1045 H CA -0.951 55.243 56.048 0.242 0.000 1.234 1045 H CB 0.595 30.361 29.762 0.005 0.000 1.387 1045 H HN 0.554 nan 8.280 nan 0.000 0.476 1046 F N 5.229 125.191 119.950 0.020 0.000 2.445 1046 F HA 0.079 4.607 4.527 0.001 0.000 0.359 1046 F C 0.993 176.729 175.800 -0.107 0.000 1.101 1046 F CA 0.056 57.849 58.000 -0.344 0.000 1.177 1046 F CB 1.130 39.562 39.000 -0.947 0.000 1.110 1046 F HN 0.578 nan 8.300 nan 0.000 0.522 1047 T N 0.467 114.638 114.554 -0.638 0.000 3.010 1047 T HA 0.201 4.552 4.350 0.001 0.000 0.257 1047 T C 1.484 175.871 174.700 -0.521 0.000 1.020 1047 T CA 0.418 62.234 62.100 -0.473 0.000 0.938 1047 T CB 0.164 68.778 68.868 -0.423 0.000 1.049 1047 T HN 0.629 nan 8.240 nan 0.000 0.522 1048 G N 0.186 108.328 108.800 -1.097 0.000 3.233 1048 G HA2 0.148 4.109 3.960 0.001 0.000 0.227 1048 G HA3 0.148 4.109 3.960 0.001 0.000 0.227 1048 G C -0.014 174.735 174.900 -0.250 0.000 1.175 1048 G CA -0.653 44.027 45.100 -0.700 0.000 0.781 1048 G HN 0.453 nan 8.290 nan 0.000 0.542 1049 W N 2.802 124.025 121.300 -0.129 0.000 2.304 1049 W HA 0.325 4.986 4.660 0.001 0.000 0.313 1049 W C -2.076 174.418 176.519 -0.041 0.000 1.323 1049 W CA -2.443 54.967 57.345 0.107 0.000 1.223 1049 W CB 1.255 30.818 29.460 0.171 0.000 1.237 1049 W HN 0.042 nan 8.180 nan 0.000 0.535 1050 P HA -0.006 nan 4.420 nan 0.000 0.272 1050 P C 0.490 177.858 177.300 0.112 0.000 1.223 1050 P CA 0.169 63.307 63.100 0.063 0.000 0.784 1050 P CB 1.291 32.975 31.700 -0.026 0.000 0.923 1051 D N -0.316 120.048 120.400 -0.061 0.000 2.133 1051 D HA -0.138 4.503 4.640 0.001 0.000 0.195 1051 D C 0.417 176.402 176.300 -0.525 0.000 0.997 1051 D CA 1.774 55.586 54.000 -0.313 0.000 0.840 1051 D CB -0.127 40.394 40.800 -0.465 0.000 0.947 1051 D HN 0.508 nan 8.370 nan 0.000 0.452 1052 H N -1.426 117.693 119.070 0.082 0.000 2.689 1052 H HA 0.550 5.107 4.556 0.001 0.000 0.346 1052 H C 1.054 176.418 175.328 0.060 0.000 1.037 1052 H CA 0.020 56.110 56.048 0.069 0.000 1.234 1052 H CB 1.736 31.521 29.762 0.039 0.000 1.572 1052 H HN 0.206 nan 8.280 nan 0.000 0.524 1053 G N 1.186 110.094 108.800 0.180 0.000 2.416 1053 G HA2 -0.049 3.912 3.960 0.001 0.000 0.203 1053 G HA3 -0.049 3.912 3.960 0.001 0.000 0.203 1053 G C -0.879 174.055 174.900 0.057 0.000 1.227 1053 G CA -0.331 44.819 45.100 0.083 0.000 1.041 1053 G HN 0.821 nan 8.290 nan 0.000 0.546 1054 V N -2.775 117.029 119.914 -0.184 0.000 2.960 1054 V HA 0.871 4.992 4.120 0.001 0.000 0.315 1054 V C -2.448 173.203 176.094 -0.739 0.000 1.087 1054 V CA -2.158 59.759 62.300 -0.639 0.000 0.982 1054 V CB 1.609 33.031 31.823 -0.669 0.000 1.039 1054 V HN 0.775 nan 8.190 nan 0.000 0.437 1055 P HA -0.038 nan 4.420 nan 0.000 0.263 1055 P C 0.553 177.708 177.300 -0.240 0.000 1.175 1055 P CA 0.483 63.242 63.100 -0.567 0.000 0.761 1055 P CB 0.102 31.498 31.700 -0.506 0.000 0.794 1056 Y N 2.114 122.344 120.300 -0.116 0.000 2.293 1056 Y HA -0.115 4.436 4.550 0.001 0.000 0.291 1056 Y C 1.058 176.856 175.900 -0.170 0.000 1.137 1056 Y CA 1.329 59.366 58.100 -0.104 0.000 1.202 1056 Y CB -0.202 38.221 38.460 -0.061 0.000 0.990 1056 Y HN 0.397 nan 8.280 nan 0.000 0.537 1057 H N -1.777 117.321 119.070 0.047 0.000 2.538 1057 H HA 0.553 5.110 4.556 0.001 0.000 0.353 1057 H C 0.936 176.342 175.328 0.130 0.000 1.109 1057 H CA 0.147 56.239 56.048 0.072 0.000 1.192 1057 H CB 1.959 31.740 29.762 0.032 0.000 1.555 1057 H HN 0.215 nan 8.280 nan 0.000 0.518 1058 A N 2.597 125.562 122.820 0.242 0.000 2.167 1058 A HA -0.074 4.246 4.320 0.001 0.000 0.214 1058 A C 1.951 179.612 177.584 0.129 0.000 1.151 1058 A CA 1.117 53.250 52.037 0.161 0.000 0.735 1058 A CB -0.360 18.569 19.000 -0.119 0.000 0.802 1058 A HN 0.702 nan 8.150 nan 0.000 0.467 1059 T N 0.057 114.694 114.554 0.138 0.000 2.684 1059 T HA -0.131 4.219 4.350 0.001 0.000 0.267 1059 T C 1.991 176.776 174.700 0.141 0.000 1.036 1059 T CA 1.678 63.828 62.100 0.084 0.000 1.148 1059 T CB -0.584 68.280 68.868 -0.006 0.000 0.863 1059 T HN 0.562 nan 8.240 nan 0.000 0.436 1060 G N 1.152 110.081 108.800 0.215 0.000 2.402 1060 G HA2 -0.123 3.838 3.960 0.001 0.000 0.216 1060 G HA3 -0.123 3.838 3.960 0.001 0.000 0.216 1060 G C 1.524 176.705 174.900 0.469 0.000 1.162 1060 G CA 0.675 45.993 45.100 0.363 0.000 0.777 1060 G HN 0.411 nan 8.290 nan 0.000 0.539 1061 L N 0.484 121.883 121.223 0.293 0.000 2.083 1061 L HA 0.093 4.434 4.340 0.001 0.000 0.209 1061 L C 2.720 179.640 176.870 0.084 0.000 1.083 1061 L CA 1.281 56.071 54.840 -0.084 0.000 0.752 1061 L CB -0.347 41.554 42.059 -0.263 0.000 0.899 1061 L HN 0.208 nan 8.230 nan 0.000 0.433 1062 L N -1.491 119.781 121.223 0.082 0.000 2.017 1062 L HA -0.218 4.123 4.340 0.001 0.000 0.208 1062 L C 2.519 179.436 176.870 0.079 0.000 1.073 1062 L CA 1.448 56.317 54.840 0.047 0.000 0.745 1062 L CB -0.837 41.229 42.059 0.012 0.000 0.894 1062 L HN 0.207 nan 8.230 nan 0.000 0.432 1063 S N -0.184 115.601 115.700 0.141 0.000 2.359 1063 S HA -0.236 4.235 4.470 0.001 0.000 0.224 1063 S C 1.799 176.470 174.600 0.118 0.000 1.035 1063 S CA 1.670 59.974 58.200 0.172 0.000 1.018 1063 S CB -0.496 62.876 63.200 0.287 0.000 0.876 1063 S HN 0.356 nan 8.310 nan 0.000 0.448 1064 F N 2.086 121.970 119.950 -0.109 0.000 2.065 1064 F HA -0.154 4.374 4.527 0.001 0.000 0.298 1064 F C 1.922 177.588 175.800 -0.223 0.000 1.112 1064 F CA 1.377 59.105 58.000 -0.454 0.000 1.212 1064 F CB -0.449 38.384 39.000 -0.279 0.000 0.975 1064 F HN 0.121 nan 8.300 nan 0.000 0.476 1065 I N 0.113 120.697 120.570 0.024 0.000 2.208 1065 I HA -0.315 3.855 4.170 0.001 0.000 0.245 1065 I C 2.549 178.586 176.117 -0.135 0.000 1.097 1065 I CA 1.461 62.747 61.300 -0.024 0.000 1.363 1065 I CB -0.460 37.545 38.000 0.009 0.000 1.051 1065 I HN 0.107 nan 8.210 nan 0.000 0.413 1066 R N 0.040 120.484 120.500 -0.094 0.000 2.115 1066 R HA -0.160 4.181 4.340 0.001 0.000 0.230 1066 R C 2.388 178.617 176.300 -0.118 0.000 1.111 1066 R CA 0.945 56.995 56.100 -0.082 0.000 0.976 1066 R CB -0.293 29.990 30.300 -0.029 0.000 0.870 1066 R HN 0.178 nan 8.270 nan 0.000 0.445 1067 R N 0.975 121.377 120.500 -0.164 0.000 2.081 1067 R HA -0.090 4.251 4.340 0.001 0.000 0.235 1067 R C 1.929 178.003 176.300 -0.376 0.000 1.131 1067 R CA 1.438 57.438 56.100 -0.167 0.000 0.960 1067 R CB -0.657 29.590 30.300 -0.088 0.000 0.856 1067 R HN -0.001 nan 8.270 nan 0.000 0.436 1068 V N 1.292 120.805 119.914 -0.669 0.000 2.295 1068 V HA -0.247 3.874 4.120 0.001 0.000 0.246 1068 V C 2.171 178.031 176.094 -0.389 0.000 1.049 1068 V CA 2.215 63.993 62.300 -0.870 0.000 1.024 1068 V CB -0.499 30.830 31.823 -0.823 0.000 0.648 1068 V HN 0.362 nan 8.190 nan 0.000 0.447 1069 K N -0.265 120.007 120.400 -0.214 0.000 2.113 1069 K HA -0.219 4.101 4.320 0.001 0.000 0.208 1069 K C 2.079 178.633 176.600 -0.077 0.000 1.047 1069 K CA 1.623 57.852 56.287 -0.097 0.000 0.928 1069 K CB -0.398 32.062 32.500 -0.067 0.000 0.716 1069 K HN 0.306 nan 8.250 nan 0.000 0.446 1070 L N 0.464 121.636 121.223 -0.085 0.000 2.291 1070 L HA -0.053 4.288 4.340 0.001 0.000 0.214 1070 L C 1.674 178.533 176.870 -0.017 0.000 1.120 1070 L CA 1.531 56.349 54.840 -0.037 0.000 0.799 1070 L CB 0.110 42.158 42.059 -0.019 0.000 0.925 1070 L HN -0.054 nan 8.230 nan 0.000 0.446 1071 S N -1.174 114.499 115.700 -0.047 0.000 2.483 1071 S HA 0.104 4.574 4.470 0.001 0.000 0.221 1071 S C 0.718 175.343 174.600 0.041 0.000 1.030 1071 S CA -0.176 58.049 58.200 0.042 0.000 0.925 1071 S CB -0.289 63.020 63.200 0.182 0.000 0.795 1071 S HN 0.447 nan 8.310 nan 0.000 0.511 1072 N N 3.203 121.888 118.700 -0.024 0.000 2.442 1072 N HA 0.230 4.971 4.740 0.001 0.000 0.265 1072 N C -2.983 172.539 175.510 0.019 0.000 1.138 1072 N CA -1.533 51.519 53.050 0.002 0.000 0.956 1072 N CB 0.513 38.983 38.487 -0.029 0.000 1.067 1072 N HN 0.015 nan 8.380 nan 0.000 0.474 1073 P HA 0.172 nan 4.420 nan 0.000 0.276 1073 P C -1.968 175.343 177.300 0.020 0.000 1.230 1073 P CA -1.199 61.913 63.100 0.020 0.000 0.776 1073 P CB 0.574 32.284 31.700 0.017 0.000 0.888 1074 P HA -0.163 nan 4.420 nan 0.000 0.219 1074 P C 0.987 178.290 177.300 0.006 0.000 1.146 1074 P CA 1.394 64.502 63.100 0.012 0.000 0.808 1074 P CB -0.165 31.532 31.700 -0.005 0.000 0.779 1075 S N -1.203 114.496 115.700 -0.001 0.000 2.522 1075 S HA 0.245 4.716 4.470 0.001 0.000 0.227 1075 S C 1.259 175.850 174.600 -0.014 0.000 0.986 1075 S CA 0.026 58.221 58.200 -0.009 0.000 0.929 1075 S CB -0.773 62.421 63.200 -0.010 0.000 0.769 1075 S HN 0.207 nan 8.310 nan 0.000 0.529 1076 A N 1.543 124.357 122.820 -0.010 0.000 2.327 1076 A HA 0.651 4.972 4.320 0.001 0.000 0.255 1076 A C 1.003 178.567 177.584 -0.032 0.000 1.099 1076 A CA -0.084 51.940 52.037 -0.022 0.000 0.801 1076 A CB -0.556 18.436 19.000 -0.014 0.000 1.062 1076 A HN 0.497 nan 8.150 nan 0.000 0.496 1077 G N -0.670 108.101 108.800 -0.049 0.000 2.553 1077 G HA2 0.484 4.445 3.960 0.001 0.000 0.278 1077 G HA3 0.484 4.445 3.960 0.001 0.000 0.278 1077 G C -2.627 172.229 174.900 -0.075 0.000 1.349 1077 G CA -1.091 43.978 45.100 -0.052 0.000 1.037 1077 G HN 0.565 nan 8.290 nan 0.000 0.508 1078 P HA 0.115 nan 4.420 nan 0.000 0.266 1078 P C -0.156 177.050 177.300 -0.156 0.000 1.195 1078 P CA 0.105 63.136 63.100 -0.114 0.000 0.768 1078 P CB 0.508 32.221 31.700 0.021 0.000 0.838 1079 I N 2.222 122.635 120.570 -0.261 0.000 2.533 1079 I HA 0.015 4.186 4.170 0.001 0.000 0.284 1079 I C 0.256 176.355 176.117 -0.030 0.000 1.109 1079 I CA -0.217 61.002 61.300 -0.135 0.000 1.412 1079 I CB 0.496 38.422 38.000 -0.123 0.000 1.396 1079 I HN 0.016 nan 8.210 nan 0.000 0.543 1080 V N 8.097 127.986 119.914 -0.042 0.000 2.389 1080 V HA 0.151 4.272 4.120 0.001 0.000 0.264 1080 V C 0.175 176.287 176.094 0.029 0.000 1.049 1080 V CA -0.396 61.877 62.300 -0.044 0.000 0.932 1080 V CB 0.975 32.693 31.823 -0.174 0.000 1.011 1080 V HN 0.384 nan 8.190 nan 0.000 0.475 1081 V N 6.222 126.162 119.914 0.043 0.000 2.398 1081 V HA 0.595 4.716 4.120 0.001 0.000 0.286 1081 V C -0.294 175.833 176.094 0.055 0.000 1.026 1081 V CA -0.542 61.756 62.300 -0.003 0.000 0.868 1081 V CB 1.312 33.145 31.823 0.017 0.000 0.982 1081 V HN 1.148 nan 8.190 nan 0.000 0.443 1082 H N 2.253 121.298 119.070 -0.041 0.000 3.016 1082 H HA 0.799 5.356 4.556 0.001 0.000 0.362 1082 H C -0.098 175.195 175.328 -0.058 0.000 1.233 1082 H CA -0.324 55.696 56.048 -0.048 0.000 1.124 1082 H CB 1.403 31.138 29.762 -0.045 0.000 1.850 1082 H HN 0.680 nan 8.280 nan 0.000 0.549 1083 C N 0.218 119.550 119.300 0.053 0.000 3.070 1083 C HA 0.621 5.082 4.460 0.001 0.000 0.076 1083 C C 1.868 176.949 174.990 0.152 0.000 2.295 1083 C CA 0.426 59.441 59.018 -0.005 0.000 1.731 1083 C CB 0.815 28.459 27.740 -0.160 0.000 2.780 1083 C HN 0.794 nan 8.230 nan 0.000 0.381 1084 S N 0.258 115.998 115.700 0.067 0.000 2.431 1084 S HA 0.308 4.779 4.470 0.001 0.000 0.210 1084 S C 2.002 176.724 174.600 0.203 0.000 1.013 1084 S CA 1.028 59.323 58.200 0.157 0.000 0.920 1084 S CB -0.764 62.552 63.200 0.193 0.000 0.882 1084 S HN 0.957 nan 8.310 nan 0.000 0.567 1085 A N -0.102 122.769 122.820 0.085 0.000 2.016 1085 A HA 0.427 4.748 4.320 0.001 0.000 0.217 1085 A C 1.632 179.214 177.584 -0.003 0.000 1.162 1085 A CA 1.303 53.358 52.037 0.031 0.000 0.662 1085 A CB -0.980 17.805 19.000 -0.358 0.000 0.812 1085 A HN 1.460 nan 8.150 nan 0.000 0.450 1086 G N -2.732 106.049 108.800 -0.030 0.000 2.130 1086 G HA2 0.086 4.047 3.960 0.001 0.000 0.216 1086 G HA3 0.086 4.047 3.960 0.001 0.000 0.216 1086 G C 0.716 175.581 174.900 -0.058 0.000 0.999 1086 G CA 0.957 46.039 45.100 -0.030 0.000 0.686 1086 G HN 1.411 nan 8.290 nan 0.000 0.515 1087 A N -1.016 121.754 122.820 -0.084 0.000 2.016 1087 A HA 0.730 5.051 4.320 0.001 0.000 0.202 1087 A C 2.255 179.794 177.584 -0.074 0.000 1.632 1087 A CA 1.497 53.489 52.037 -0.075 0.000 0.891 1087 A CB -0.608 18.343 19.000 -0.080 0.000 1.103 1087 A HN 1.425 nan 8.150 nan 0.000 0.547 1088 G N -0.049 108.684 108.800 -0.111 0.000 2.572 1088 G HA2 -0.034 3.927 3.960 0.001 0.000 0.214 1088 G HA3 -0.034 3.927 3.960 0.001 0.000 0.214 1088 G C 1.567 176.380 174.900 -0.145 0.000 1.246 1088 G CA 0.648 45.685 45.100 -0.105 0.000 0.835 1088 G HN 0.398 nan 8.290 nan 0.000 0.551 1089 R N -0.134 120.166 120.500 -0.333 0.000 2.115 1089 R HA -0.008 4.333 4.340 0.001 0.000 0.230 1089 R C 2.789 178.955 176.300 -0.224 0.000 1.111 1089 R CA 1.518 57.279 56.100 -0.564 0.000 0.976 1089 R CB -0.586 29.089 30.300 -1.041 0.000 0.870 1089 R HN 0.278 nan 8.270 nan 0.000 0.445 1090 T N 0.075 114.540 114.554 -0.149 0.000 2.708 1090 T HA -0.111 4.239 4.350 0.001 0.000 0.266 1090 T C 1.921 176.626 174.700 0.008 0.000 1.037 1090 T CA 1.549 63.621 62.100 -0.046 0.000 1.146 1090 T CB -0.494 68.344 68.868 -0.049 0.000 0.865 1090 T HN 0.538 nan 8.240 nan 0.000 0.435 1091 G N 0.370 109.157 108.800 -0.021 0.000 2.446 1091 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 1091 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 1091 G C 1.933 176.849 174.900 0.027 0.000 1.168 1091 G CA 1.143 46.236 45.100 -0.011 0.000 0.771 1091 G HN 0.539 nan 8.290 nan 0.000 0.551 1092 C N -0.686 118.670 119.300 0.093 0.000 2.413 1092 C HA -0.070 4.391 4.460 0.001 0.000 0.276 1092 C C 2.420 177.493 174.990 0.139 0.000 1.236 1092 C CA 0.795 59.926 59.018 0.189 0.000 1.735 1092 C CB -1.215 26.776 27.740 0.418 0.000 2.031 1092 C HN 0.570 nan 8.230 nan 0.000 0.474 1093 Y N 1.592 121.924 120.300 0.054 0.000 2.081 1093 Y HA -0.221 4.329 4.550 0.001 0.000 0.280 1093 Y C 2.196 178.054 175.900 -0.070 0.000 1.163 1093 Y CA 1.860 59.972 58.100 0.020 0.000 1.135 1093 Y CB -0.471 38.003 38.460 0.024 0.000 0.970 1093 Y HN 0.295 nan 8.280 nan 0.000 0.498 1094 I N -0.990 119.454 120.570 -0.210 0.000 2.252 1094 I HA -0.289 3.882 4.170 0.001 0.000 0.245 1094 I C 2.236 178.129 176.117 -0.372 0.000 1.102 1094 I CA 1.200 62.193 61.300 -0.513 0.000 1.385 1094 I CB -0.478 37.207 38.000 -0.525 0.000 1.064 1094 I HN 0.143 nan 8.210 nan 0.000 0.414 1095 V N 1.192 120.986 119.914 -0.199 0.000 2.307 1095 V HA -0.268 3.852 4.120 0.001 0.000 0.245 1095 V C 2.319 178.324 176.094 -0.148 0.000 1.045 1095 V CA 1.850 64.077 62.300 -0.122 0.000 1.024 1095 V CB -0.418 31.378 31.823 -0.045 0.000 0.651 1095 V HN 0.316 nan 8.190 nan 0.000 0.449 1096 I N 0.436 120.901 120.570 -0.176 0.000 2.208 1096 I HA -0.281 3.889 4.170 0.001 0.000 0.245 1096 I C 2.353 178.338 176.117 -0.220 0.000 1.097 1096 I CA 2.131 63.314 61.300 -0.195 0.000 1.363 1096 I CB -0.483 37.407 38.000 -0.183 0.000 1.051 1096 I HN 0.379 nan 8.210 nan 0.000 0.413 1097 D N 1.263 121.471 120.400 -0.321 0.000 2.084 1097 D HA -0.173 4.468 4.640 0.001 0.000 0.194 1097 D C 2.138 178.383 176.300 -0.092 0.000 0.990 1097 D CA 1.539 55.382 54.000 -0.262 0.000 0.826 1097 D CB -0.069 40.484 40.800 -0.411 0.000 0.971 1097 D HN 0.284 nan 8.370 nan 0.000 0.453 1098 I N -0.084 120.463 120.570 -0.038 0.000 2.208 1098 I HA -0.262 3.908 4.170 0.001 0.000 0.245 1098 I C 2.276 178.344 176.117 -0.081 0.000 1.097 1098 I CA 0.746 62.067 61.300 0.036 0.000 1.363 1098 I CB -0.266 37.789 38.000 0.093 0.000 1.051 1098 I HN 0.147 nan 8.210 nan 0.000 0.413 1099 M N 0.053 119.587 119.600 -0.109 0.000 2.229 1099 M HA -0.119 4.362 4.480 0.001 0.000 0.264 1099 M C 2.376 178.566 176.300 -0.185 0.000 1.063 1099 M CA 1.632 56.847 55.300 -0.142 0.000 1.114 1099 M CB -0.895 31.628 32.600 -0.128 0.000 1.387 1099 M HN 0.285 nan 8.290 nan 0.000 0.420 1100 L N -0.472 120.650 121.223 -0.170 0.000 2.141 1100 L HA -0.203 4.138 4.340 0.001 0.000 0.209 1100 L C 1.953 178.702 176.870 -0.202 0.000 1.094 1100 L CA 0.821 55.563 54.840 -0.163 0.000 0.763 1100 L CB -0.803 41.177 42.059 -0.133 0.000 0.908 1100 L HN 0.235 nan 8.230 nan 0.000 0.437 1101 D N -0.047 120.205 120.400 -0.246 0.000 2.097 1101 D HA -0.213 4.428 4.640 0.001 0.000 0.197 1101 D C 2.170 178.038 176.300 -0.720 0.000 0.984 1101 D CA 1.227 55.017 54.000 -0.351 0.000 0.826 1101 D CB -0.058 40.600 40.800 -0.236 0.000 0.973 1101 D HN 0.238 nan 8.370 nan 0.000 0.460 1102 M N 0.553 119.612 119.600 -0.903 0.000 2.117 1102 M HA -0.154 4.327 4.480 0.001 0.000 0.262 1102 M C 2.050 178.113 176.300 -0.396 0.000 1.065 1102 M CA 1.529 56.280 55.300 -0.915 0.000 1.114 1102 M CB 0.066 32.374 32.600 -0.487 0.000 1.361 1102 M HN -0.006 nan 8.290 nan 0.000 0.408 1103 A N 0.047 122.705 122.820 -0.270 0.000 1.883 1103 A HA -0.210 4.111 4.320 0.001 0.000 0.217 1103 A C 1.856 179.359 177.584 -0.135 0.000 1.186 1103 A CA 2.313 54.254 52.037 -0.159 0.000 0.624 1103 A CB -1.253 17.669 19.000 -0.130 0.000 0.822 1103 A HN 0.607 nan 8.150 nan 0.000 0.444 1104 E N -0.396 119.712 120.200 -0.153 0.000 2.058 1104 E HA -0.228 4.123 4.350 0.001 0.000 0.194 1104 E C 2.346 178.898 176.600 -0.080 0.000 0.997 1104 E CA 1.737 58.075 56.400 -0.103 0.000 0.801 1104 E CB -0.433 29.209 29.700 -0.097 0.000 0.746 1104 E HN 0.716 nan 8.360 nan 0.000 0.450 1105 R N -0.343 120.095 120.500 -0.104 0.000 2.062 1105 R HA 0.004 4.345 4.340 0.001 0.000 0.226 1105 R C 2.367 178.666 176.300 -0.003 0.000 1.125 1105 R CA 1.885 57.974 56.100 -0.018 0.000 0.966 1105 R CB 0.003 30.356 30.300 0.089 0.000 0.861 1105 R HN 0.366 nan 8.270 nan 0.000 0.433 1106 E N -1.572 118.610 120.200 -0.030 0.000 2.473 1106 E HA 0.156 4.507 4.350 0.001 0.000 0.204 1106 E C 0.385 176.974 176.600 -0.018 0.000 0.994 1106 E CA 0.374 56.775 56.400 0.001 0.000 0.945 1106 E CB 1.150 30.868 29.700 0.030 0.000 0.990 1106 E HN 0.562 nan 8.360 nan 0.000 0.493 1107 G N 1.668 110.444 108.800 -0.040 0.000 2.198 1107 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 1107 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 1107 G C -0.066 174.814 174.900 -0.034 0.000 1.025 1107 G CA 0.493 45.572 45.100 -0.036 0.000 0.769 1107 G HN 0.174 nan 8.290 nan 0.000 0.507 1108 V N -0.720 119.168 119.914 -0.044 0.000 3.012 1108 V HA 0.769 4.890 4.120 0.001 0.000 0.307 1108 V C 0.098 176.161 176.094 -0.051 0.000 1.166 1108 V CA -0.280 62.000 62.300 -0.035 0.000 0.974 1108 V CB 2.481 34.297 31.823 -0.013 0.000 1.040 1108 V HN 1.201 nan 8.190 nan 0.000 0.428 1109 V N -0.219 119.669 119.914 -0.043 0.000 2.823 1109 V HA 0.820 4.940 4.120 0.001 0.000 0.312 1109 V C -1.048 175.044 176.094 -0.003 0.000 1.072 1109 V CA -0.515 61.760 62.300 -0.043 0.000 0.937 1109 V CB 2.158 33.940 31.823 -0.068 0.000 1.013 1109 V HN 0.823 nan 8.190 nan 0.000 0.430 1110 D N 2.393 122.811 120.400 0.031 0.000 2.513 1110 D HA 0.450 5.091 4.640 0.001 0.000 0.295 1110 D C 0.790 177.178 176.300 0.145 0.000 1.202 1110 D CA -0.293 53.766 54.000 0.100 0.000 0.849 1110 D CB 0.745 41.612 40.800 0.113 0.000 1.116 1110 D HN 0.572 nan 8.370 nan 0.000 0.502 1111 I N 0.772 121.426 120.570 0.140 0.000 2.179 1111 I HA -0.239 3.931 4.170 0.001 0.000 0.242 1111 I C 1.966 178.310 176.117 0.380 0.000 1.088 1111 I CA 0.876 62.263 61.300 0.144 0.000 1.357 1111 I CB -0.251 37.692 38.000 -0.094 0.000 1.051 1111 I HN 0.329 nan 8.210 nan 0.000 0.409 1112 Y N 2.160 122.729 120.300 0.449 0.000 2.128 1112 Y HA -0.298 4.252 4.550 0.001 0.000 0.284 1112 Y C 2.397 178.583 175.900 0.476 0.000 1.154 1112 Y CA 1.848 60.321 58.100 0.621 0.000 1.149 1112 Y CB -0.277 38.473 38.460 0.482 0.000 0.976 1112 Y HN 0.184 nan 8.280 nan 0.000 0.505 1113 N N -0.764 118.159 118.700 0.371 0.000 2.396 1113 N HA -0.183 4.558 4.740 0.001 0.000 0.180 1113 N C 2.015 177.599 175.510 0.124 0.000 1.028 1113 N CA 1.143 54.326 53.050 0.221 0.000 0.893 1113 N CB -0.839 37.789 38.487 0.236 0.000 0.967 1113 N HN 0.459 nan 8.380 nan 0.000 0.440 1114 C N 0.452 119.829 119.300 0.129 0.000 2.453 1114 C HA -0.013 4.447 4.460 0.001 0.000 0.277 1114 C C 2.723 177.723 174.990 0.016 0.000 1.262 1114 C CA 0.482 59.546 59.018 0.078 0.000 1.718 1114 C CB -0.911 26.872 27.740 0.073 0.000 2.031 1114 C HN 0.177 nan 8.230 nan 0.000 0.480 1115 V N 1.501 121.403 119.914 -0.019 0.000 2.287 1115 V HA -0.247 3.873 4.120 0.001 0.000 0.248 1115 V C 2.598 178.534 176.094 -0.264 0.000 1.053 1115 V CA 2.427 64.593 62.300 -0.223 0.000 1.027 1115 V CB -0.902 30.587 31.823 -0.557 0.000 0.646 1115 V HN 0.629 nan 8.190 nan 0.000 0.447 1116 K N 0.357 120.656 120.400 -0.170 0.000 2.044 1116 K HA -0.245 4.076 4.320 0.001 0.000 0.210 1116 K C 2.198 178.798 176.600 -0.000 0.000 1.049 1116 K CA 1.834 58.094 56.287 -0.045 0.000 0.927 1116 K CB -0.386 32.124 32.500 0.018 0.000 0.713 1116 K HN 0.426 nan 8.250 nan 0.000 0.443 1117 A N 1.021 123.853 122.820 0.020 0.000 1.883 1117 A HA -0.155 4.165 4.320 0.001 0.000 0.217 1117 A C 2.058 179.673 177.584 0.052 0.000 1.186 1117 A CA 1.379 53.445 52.037 0.048 0.000 0.624 1117 A CB -0.602 18.437 19.000 0.064 0.000 0.822 1117 A HN 0.303 nan 8.150 nan 0.000 0.444 1118 L N -0.693 120.542 121.223 0.020 0.000 2.046 1118 L HA -0.106 4.234 4.340 0.001 0.000 0.208 1118 L C 2.590 179.489 176.870 0.049 0.000 1.077 1118 L CA 1.855 56.710 54.840 0.024 0.000 0.747 1118 L CB -0.525 41.519 42.059 -0.024 0.000 0.896 1118 L HN 0.307 nan 8.230 nan 0.000 0.432 1119 R N -1.075 119.439 120.500 0.022 0.000 2.189 1119 R HA -0.081 4.259 4.340 0.001 0.000 0.218 1119 R C 2.428 178.831 176.300 0.171 0.000 1.074 1119 R CA 1.005 57.152 56.100 0.078 0.000 0.991 1119 R CB -0.230 30.083 30.300 0.022 0.000 0.883 1119 R HN 0.531 nan 8.270 nan 0.000 0.457 1120 S N 0.218 115.995 115.700 0.128 0.000 2.423 1120 S HA -0.077 4.393 4.470 0.001 0.000 0.231 1120 S C 1.711 176.513 174.600 0.335 0.000 1.014 1120 S CA 0.602 58.890 58.200 0.146 0.000 0.965 1120 S CB 0.040 63.290 63.200 0.084 0.000 0.785 1120 S HN 0.179 nan 8.310 nan 0.000 0.495 1121 R N 0.946 121.619 120.500 0.287 0.000 2.189 1121 R HA 0.385 4.726 4.340 0.001 0.000 0.203 1121 R C 0.873 177.323 176.300 0.250 0.000 1.012 1121 R CA 0.366 56.623 56.100 0.262 0.000 1.015 1121 R CB -0.306 30.087 30.300 0.156 0.000 0.938 1121 R HN 0.512 nan 8.270 nan 0.000 0.472 1122 R N 0.185 120.797 120.500 0.187 0.000 2.561 1122 R HA 0.270 4.610 4.340 0.001 0.000 0.266 1122 R C -1.140 175.130 176.300 -0.051 0.000 1.091 1122 R CA -0.606 55.445 56.100 -0.082 0.000 0.927 1122 R CB 1.553 31.813 30.300 -0.067 0.000 1.240 1122 R HN 0.033 nan 8.270 nan 0.000 0.449 1123 I N 4.536 124.963 120.570 -0.237 0.000 2.826 1123 I HA -0.120 4.050 4.170 0.001 0.000 0.295 1123 I C -0.178 175.972 176.117 0.054 0.000 1.213 1123 I CA 0.823 62.142 61.300 0.031 0.000 1.436 1123 I CB 0.204 38.284 38.000 0.133 0.000 1.348 1123 I HN 0.897 nan 8.210 nan 0.000 0.570 1124 N N 4.611 123.368 118.700 0.095 0.000 2.714 1124 N HA -0.174 4.567 4.740 0.001 0.000 0.250 1124 N C -0.589 174.927 175.510 0.010 0.000 1.117 1124 N CA 0.778 53.859 53.050 0.052 0.000 0.719 1124 N CB -0.897 37.626 38.487 0.060 0.000 1.081 1124 N HN 0.467 nan 8.380 nan 0.000 0.557 1125 M N 0.270 119.862 119.600 -0.012 0.000 2.260 1125 M HA 0.045 4.526 4.480 0.001 0.000 0.348 1125 M C 0.975 177.255 176.300 -0.034 0.000 1.342 1125 M CA 0.478 55.759 55.300 -0.032 0.000 1.040 1125 M CB -0.278 32.297 32.600 -0.042 0.000 1.810 1125 M HN 0.111 nan 8.290 nan 0.000 0.453 1126 V N 3.744 123.664 119.914 0.009 0.000 4.394 1126 V HA -0.234 3.886 4.120 0.001 0.000 0.413 1126 V C 1.095 177.278 176.094 0.148 0.000 0.674 1126 V CA 0.418 62.768 62.300 0.083 0.000 1.706 1126 V CB -1.898 29.997 31.823 0.120 0.000 2.080 1126 V HN 0.989 nan 8.190 nan 0.000 0.482 1127 Q N 0.837 120.696 119.800 0.098 0.000 2.389 1127 Q HA 0.055 4.395 4.340 0.001 0.000 0.204 1127 Q C 1.104 177.203 176.000 0.164 0.000 0.944 1127 Q CA 1.356 57.224 55.803 0.109 0.000 0.908 1127 Q CB 0.601 29.348 28.738 0.014 0.000 1.002 1127 Q HN 1.067 nan 8.270 nan 0.000 0.493 1128 T N -4.261 110.334 114.554 0.069 0.000 2.896 1128 T HA 0.216 4.566 4.350 0.001 0.000 0.297 1128 T C 0.457 174.834 174.700 -0.538 0.000 1.108 1128 T CA -0.895 61.147 62.100 -0.097 0.000 1.004 1128 T CB 2.165 71.009 68.868 -0.039 0.000 1.159 1128 T HN 0.051 nan 8.240 nan 0.000 0.499 1129 E N 0.428 120.150 120.200 -0.795 0.000 2.110 1129 E HA -0.207 4.144 4.350 0.001 0.000 0.193 1129 E C 1.666 178.077 176.600 -0.314 0.000 0.988 1129 E CA 1.355 57.250 56.400 -0.842 0.000 0.804 1129 E CB -0.001 29.456 29.700 -0.404 0.000 0.745 1129 E HN 0.841 nan 8.360 nan 0.000 0.458 1130 E N 0.210 120.302 120.200 -0.180 0.000 2.085 1130 E HA -0.268 4.082 4.350 0.001 0.000 0.194 1130 E C 2.145 178.739 176.600 -0.010 0.000 0.994 1130 E CA 1.436 57.786 56.400 -0.083 0.000 0.801 1130 E CB 0.049 29.727 29.700 -0.038 0.000 0.743 1130 E HN 0.369 nan 8.360 nan 0.000 0.453 1131 Q N -0.840 118.978 119.800 0.029 0.000 2.079 1131 Q HA -0.201 4.140 4.340 0.001 0.000 0.200 1131 Q C 1.982 178.110 176.000 0.212 0.000 0.974 1131 Q CA 1.469 57.376 55.803 0.174 0.000 0.840 1131 Q CB -0.245 28.600 28.738 0.179 0.000 0.898 1131 Q HN 0.380 nan 8.270 nan 0.000 0.430 1132 Y N 1.144 121.420 120.300 -0.040 0.000 2.165 1132 Y HA -0.224 4.327 4.550 0.002 0.000 0.286 1132 Y C 1.791 177.688 175.900 -0.005 0.000 1.155 1132 Y CA 1.313 59.445 58.100 0.053 0.000 1.164 1132 Y CB -0.151 38.362 38.460 0.088 0.000 0.978 1132 Y HN 0.040 nan 8.280 nan 0.000 0.513 1133 I N -1.347 119.041 120.570 -0.303 0.000 2.252 1133 I HA -0.287 3.884 4.170 0.001 0.000 0.245 1133 I C 2.226 178.201 176.117 -0.236 0.000 1.102 1133 I CA 1.383 62.294 61.300 -0.649 0.000 1.385 1133 I CB -0.590 37.020 38.000 -0.649 0.000 1.064 1133 I HN 0.199 nan 8.210 nan 0.000 0.414 1134 F N 1.932 121.772 119.950 -0.183 0.000 2.126 1134 F HA -0.238 4.290 4.527 0.002 0.000 0.299 1134 F C 2.255 178.007 175.800 -0.080 0.000 1.096 1134 F CA 1.596 59.525 58.000 -0.118 0.000 1.255 1134 F CB -0.291 38.649 39.000 -0.100 0.000 0.997 1134 F HN -0.084 nan 8.300 nan 0.000 0.479 1135 I N -0.323 120.178 120.570 -0.115 0.000 2.194 1135 I HA -0.388 3.783 4.170 0.001 0.000 0.246 1135 I C 2.326 178.266 176.117 -0.296 0.000 1.093 1135 I CA 1.818 62.991 61.300 -0.213 0.000 1.355 1135 I CB -0.704 37.252 38.000 -0.073 0.000 1.046 1135 I HN 0.176 nan 8.210 nan 0.000 0.413 1136 H N 0.444 119.341 119.070 -0.289 0.000 2.321 1136 H HA -0.164 4.393 4.556 0.001 0.000 0.300 1136 H C 1.966 177.185 175.328 -0.182 0.000 1.087 1136 H CA 1.716 57.658 56.048 -0.176 0.000 1.319 1136 H CB -0.288 29.425 29.762 -0.082 0.000 1.379 1136 H HN 0.255 nan 8.280 nan 0.000 0.501 1137 D N 0.073 120.401 120.400 -0.120 0.000 2.123 1137 D HA -0.125 4.515 4.640 0.001 0.000 0.196 1137 D C 2.241 178.388 176.300 -0.255 0.000 0.992 1137 D CA 1.262 55.168 54.000 -0.157 0.000 0.833 1137 D CB -0.422 40.280 40.800 -0.163 0.000 0.954 1137 D HN 0.430 nan 8.370 nan 0.000 0.455 1138 A N 0.678 123.206 122.820 -0.486 0.000 1.873 1138 A HA -0.116 4.205 4.320 0.001 0.000 0.215 1138 A C 2.395 179.824 177.584 -0.258 0.000 1.186 1138 A CA 0.847 52.605 52.037 -0.466 0.000 0.616 1138 A CB -0.709 17.843 19.000 -0.746 0.000 0.823 1138 A HN 0.181 nan 8.150 nan 0.000 0.442 1139 I N -0.733 119.694 120.570 -0.237 0.000 2.226 1139 I HA -0.239 3.932 4.170 0.001 0.000 0.245 1139 I C 2.437 178.490 176.117 -0.107 0.000 1.100 1139 I CA 1.235 62.436 61.300 -0.165 0.000 1.374 1139 I CB -0.277 37.618 38.000 -0.176 0.000 1.057 1139 I HN 0.402 nan 8.210 nan 0.000 0.413 1140 L N 1.054 122.228 121.223 -0.082 0.000 2.017 1140 L HA -0.238 4.103 4.340 0.001 0.000 0.208 1140 L C 2.483 179.331 176.870 -0.037 0.000 1.073 1140 L CA 2.006 56.825 54.840 -0.036 0.000 0.745 1140 L CB -0.717 41.342 42.059 0.001 0.000 0.894 1140 L HN 0.283 nan 8.230 nan 0.000 0.432 1141 E N -0.565 119.602 120.200 -0.054 0.000 2.085 1141 E HA -0.257 4.094 4.350 0.001 0.000 0.194 1141 E C 2.048 178.626 176.600 -0.036 0.000 0.994 1141 E CA 1.271 57.651 56.400 -0.033 0.000 0.801 1141 E CB -0.205 29.476 29.700 -0.032 0.000 0.743 1141 E HN 0.617 nan 8.360 nan 0.000 0.453 1142 A N 0.433 123.217 122.820 -0.059 0.000 1.877 1142 A HA -0.191 4.130 4.320 0.001 0.000 0.216 1142 A C 2.483 180.040 177.584 -0.045 0.000 1.186 1142 A CA 1.458 53.462 52.037 -0.055 0.000 0.620 1142 A CB -0.897 18.056 19.000 -0.078 0.000 0.822 1142 A HN 0.549 nan 8.150 nan 0.000 0.443 1143 C N -0.899 118.373 119.300 -0.047 0.000 2.440 1143 C HA 0.037 4.498 4.460 0.001 0.000 0.278 1143 C C 2.646 177.623 174.990 -0.022 0.000 1.295 1143 C CA 0.843 59.839 59.018 -0.037 0.000 1.738 1143 C CB -1.447 26.271 27.740 -0.036 0.000 1.987 1143 C HN 0.606 nan 8.230 nan 0.000 0.492 1144 L N -0.322 120.893 121.223 -0.015 0.000 2.044 1144 L HA -0.120 4.221 4.340 0.001 0.000 0.205 1144 L C 2.563 179.431 176.870 -0.003 0.000 1.075 1144 L CA 1.432 56.270 54.840 -0.003 0.000 0.747 1144 L CB -0.534 41.528 42.059 0.006 0.000 0.903 1144 L HN 0.405 nan 8.230 nan 0.000 0.435 1145 c N -0.873 117.724 118.600 -0.006 0.000 2.519 1145 c HA 0.366 4.937 4.570 0.001 0.000 0.281 1145 c C 1.519 175.604 174.090 -0.008 0.000 1.331 1145 c CA 0.193 56.520 56.329 -0.004 0.000 1.725 1145 c CB -0.717 41.791 42.510 -0.004 0.000 2.079 1145 c HN 0.766 nan 8.230 nan 0.000 0.496 1146 G N 0.485 109.276 108.800 -0.015 0.000 2.642 1146 G HA2 -0.208 3.753 3.960 0.001 0.000 0.231 1146 G HA3 -0.208 3.753 3.960 0.001 0.000 0.231 1146 G C 0.284 175.176 174.900 -0.012 0.000 1.338 1146 G CA 0.363 45.453 45.100 -0.016 0.000 0.883 1146 G HN 0.409 nan 8.290 nan 0.000 0.570 1147 E N -0.090 120.104 120.200 -0.010 0.000 2.140 1147 E HA 0.206 4.557 4.350 0.001 0.000 0.191 1147 E C 1.733 178.335 176.600 0.002 0.000 0.973 1147 E CA 1.128 57.526 56.400 -0.004 0.000 0.829 1147 E CB 0.069 29.766 29.700 -0.005 0.000 0.781 1147 E HN 0.961 nan 8.360 nan 0.000 0.466 1148 T N 1.126 115.681 114.554 0.000 0.000 3.029 1148 T HA 0.601 4.952 4.350 0.001 0.000 0.346 1148 T C -0.483 174.216 174.700 -0.001 0.000 1.211 1148 T CA -0.380 61.721 62.100 0.002 0.000 1.009 1148 T CB 0.303 69.173 68.868 0.002 0.000 1.084 1148 T HN 0.048 nan 8.240 nan 0.000 0.536 1149 A N 3.206 126.023 122.820 -0.005 0.000 2.350 1149 A HA 0.861 5.182 4.320 0.001 0.000 0.324 1149 A C 0.246 177.821 177.584 -0.016 0.000 1.118 1149 A CA -0.792 51.239 52.037 -0.009 0.000 0.783 1149 A CB 0.493 19.485 19.000 -0.013 0.000 1.236 1149 A HN 0.985 nan 8.150 nan 0.000 0.457 1150 I N -0.065 120.499 120.570 -0.010 0.000 2.886 1150 I HA 0.447 4.617 4.170 0.001 0.000 0.299 1150 I C -1.888 174.209 176.117 -0.033 0.000 1.044 1150 I CA -2.013 59.279 61.300 -0.013 0.000 1.310 1150 I CB 0.480 38.484 38.000 0.007 0.000 1.441 1150 I HN 0.330 nan 8.210 nan 0.000 0.578 1151 P HA -0.114 nan 4.420 nan 0.000 0.220 1151 P C 1.699 178.989 177.300 -0.017 0.000 1.148 1151 P CA 0.596 63.597 63.100 -0.164 0.000 0.803 1151 P CB 0.094 31.680 31.700 -0.190 0.000 0.782 1152 V N -0.680 119.309 119.914 0.126 0.000 2.594 1152 V HA -0.176 3.945 4.120 0.001 0.000 0.253 1152 V C 0.947 177.134 176.094 0.156 0.000 1.069 1152 V CA 1.002 63.426 62.300 0.207 0.000 1.082 1152 V CB -0.764 31.135 31.823 0.128 0.000 0.680 1152 V HN 0.172 nan 8.190 nan 0.000 0.469 1153 c N 2.912 121.558 118.600 0.076 0.000 2.555 1153 c HA 0.258 4.829 4.570 0.001 0.000 0.385 1153 c C 1.167 175.298 174.090 0.068 0.000 1.296 1153 c CA -0.394 55.971 56.329 0.059 0.000 1.757 1153 c CB -1.485 41.040 42.510 0.025 0.000 2.445 1153 c HN 0.747 nan 8.230 nan 0.000 0.571 1154 E N 3.331 123.593 120.200 0.103 0.000 2.586 1154 E HA -0.234 4.117 4.350 0.001 0.000 0.259 1154 E C 0.049 176.791 176.600 0.237 0.000 1.107 1154 E CA 0.740 57.220 56.400 0.133 0.000 0.754 1154 E CB -1.498 28.254 29.700 0.088 0.000 1.335 1154 E HN 0.776 nan 8.360 nan 0.000 0.411 1155 F N 0.000 120.012 119.950 0.103 0.000 2.286 1155 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1155 F CA 0.000 58.086 58.000 0.142 0.000 1.383 1155 F CB 0.000 39.036 39.000 0.059 0.000 1.145 1155 F HN 0.000 nan 8.300 nan 0.000 0.574